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CC(F)(F)C1=CC=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=C1	REAL300005729740	0	39	-1.0	-55.78	339.59	7.00	-48.78
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CC1CCC(C)(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005729743	0	42	-1.0	-52.96	331.26	6.07	-46.89
CCC1=C(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C(C)=CO1	REAL300005729744	0	39	-1.0	-53.69	330.71	5.48	-48.21
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CC1=C(CC(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C(C(F)(F)F)=CO1	REAL300005729746	0	39	-1.0	-53.78	348.35	5.82	-47.96
COC1=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=CC(C)=N1	REAL300005729747	0	39	-1.0	-52.97	334.75	2.79	-50.18
CC1=CN(CC2=CC=C(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)C=C2)N=C1	REAL300005729748	0	46	-1.0	-59.20	392.04	7.81	-51.39
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CC1(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)CCCNS1(=O)=O	REAL300005729752	0	41	-1.0	-52.88	337.96	0.44	-52.44
CCC1=NC=C2CC(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)CCC2=N1	REAL300005729753	0	47	-1.0	-50.02	378.63	6.21	-43.81
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CC(C)(CC(=O)N=S1(=O)CCC(C(=O)[O-])CC1)C(C)(F)F	REAL300005729757	0	41	-1.0	-48.85	322.84	5.32	-43.53
CC1=CC2=C(C=C(C(=O)N=S3(=O)CCC(C(=O)[O-])CC3)N2CC2CC2)S1	REAL300005729758	0	47	-1.0	-53.73	399.03	9.02	-44.71
CCC1(C)CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)C1	REAL300005729759	0	42	-1.0	-50.25	332.17	6.08	-44.17
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CC1=CC(C(=O)N=S2(=O)CCC(C(=O)[O-])CC2)=C(C)C=N1	REAL300005729762	0	38	-1.0	-52.46	319.23	4.85	-47.61
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CC1(C)CCOC1CC(=O)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300005729771	0	43	-1.0	-54.97	338.64	4.82	-50.15
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CC(C)(C(=O)[O-])C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730580	0	40	-1.0	-62.44	331.35	9.30	-53.14
CC(C)(CC(=O)[O-])CC(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730581	0	46	-1.0	-53.75	360.65	9.53	-44.22
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CC(CC(=O)[O-])CC(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730583	0	43	-1.0	-56.55	350.90	9.14	-47.41
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CC1=C(C(=O)[O-])OC(C(=O)NC2CCCC3=CC=C(Br)C=C3C2)=C1	REAL300005730587	0	41	-1.0	-45.50	355.82	9.08	-36.42
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CC(C)(CCC(=O)[O-])C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730594	0	46	-1.0	-59.98	369.43	9.65	-50.33
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CC1=C(C(=O)NC2CCCC3=CC=C(Br)C=C3C2)OC(C(=O)[O-])=C1	REAL300005730601	0	41	-1.0	-45.20	355.69	9.18	-36.02
CCC(C(=O)[O-])C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730602	0	40	-1.0	-44.49	331.10	8.61	-35.88
CC(C)C(C(=O)[O-])C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730603	0	43	-1.0	-52.60	346.86	8.85	-43.75
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O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730605	0	38	-1.0	-52.94	327.89	8.62	-44.32
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O=C([O-])[C@H]1C[C@@H](C(=O)NC2CCCC3=CC=C(Br)C=C3C2)C1	REAL300005730607	0	41	-1.0	-58.61	343.21	9.08	-49.53
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730608	0	47	-1.0	-69.33	383.37	10.86	-58.47
CC1(C(=O)[O-])CC(C(=O)NC2CCCC3=CC=C(Br)C=C3C2)C1	REAL300005730609	0	44	-1.0	-48.03	360.62	9.50	-38.53
O=C([O-])C1=C(C(=O)NC2CCCC3=CC=C(Br)C=C3C2)C=CS1	REAL300005730610	0	38	-1.0	-69.39	338.89	10.03	-59.36
O=C([O-])C1=NNC(C(=O)NC2CCCC3=CC=C(Br)C=C3C2)=C1	REAL300005730611	0	38	-1.0	-56.49	335.31	6.51	-49.98
CCCC(C(=O)[O-])C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730612	0	43	-1.0	-44.95	352.60	9.37	-35.58
CN1C(C(=O)[O-])=CC=C1C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730613	0	42	-1.0	-52.95	354.13	9.30	-43.65
O=C([O-])C1(C(=O)NC2CCCC3=CC=C(Br)C=C3C2)CC=CC1	REAL300005730614	0	42	-1.0	-47.30	347.93	9.62	-37.68
CC1=NNC(C(=O)NC2CCCC3=CC=C(Br)C=C3C2)=C1C(=O)[O-]	REAL300005730615	0	41	-1.0	-62.53	346.99	7.91	-54.62
O=C([O-])CC1(CC(=O)NC2CCCC3=CC=C(Br)C=C3C2)CC1	REAL300005730616	0	44	-1.0	-55.13	363.03	9.83	-45.30
O=C([O-])C1=NC(C(=O)NC2CCCC3=CC=C(Br)C=C3C2)=CS1	REAL300005730617	0	37	-1.0	-44.45	341.14	7.25	-37.20
COC(C(=O)[O-])C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730618	0	38	-1.0	-50.23	327.53	7.80	-42.43
C[C@]1(C(=O)NC2CCCC3=CC=C(Br)C=C3C2)C[C@H]1C(=O)[O-]	REAL300005730619	0	41	-1.0	-71.63	341.63	10.08	-61.55
O=C([O-])C12CC(C(=O)NC3CCCC4=CC=C(Br)C=C4C3)(C1)OC2	REAL300005730620	0	43	-1.0	-48.42	361.70	7.68	-40.74
CC(C(=O)[O-])C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730621	0	37	-1.0	-60.12	312.58	8.77	-51.35
CC1CC1(C(=O)[O-])C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730622	0	41	-1.0	-43.33	340.56	9.17	-34.16
CN1N=CC(C(=O)[O-])=C1C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730623	0	41	-1.0	-57.63	357.34	7.52	-50.11
C=C1CCC1(C(=O)[O-])C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730624	0	42	-1.0	-49.07	353.33	9.38	-39.69
O=C([O-])C1=CSC(C(=O)NC2CCCC3=CC=C(Br)C=C3C2)=C1	REAL300005730625	0	38	-1.0	-58.27	344.67	9.10	-49.17
CC(C)[C@]1(C(=O)NC2CCCC3=CC=C(Br)C=C3C2)C[C@H]1C(=O)[O-]	REAL300005730626	0	47	-1.0	-54.85	380.08	10.17	-44.68
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1CCCC2=CC=C(Br)C=C2C1	REAL300005730627	0	44	-1.0	-48.83	353.85	9.79	-39.04
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005730628	0	44	-1.0	-48.03	363.66	13.01	-35.02
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300005730629	0	48	-1.0	-54.01	394.59	13.29	-40.72
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300005730630	0	44	-1.0	-57.35	363.55	13.00	-44.35
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(=O)[O-])S1	REAL300005730631	0	41	-1.0	-47.65	349.47	11.98	-35.67
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300005730632	0	43	-1.0	-42.22	347.76	11.78	-30.44
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300005730633	0	50	-1.0	-51.43	408.46	14.87	-36.56
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300005730634	0	43	-1.0	-58.15	358.20	11.19	-46.96
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300005730635	0	48	-1.0	-50.02	396.04	14.54	-35.48
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005730636	0	46	-1.0	-39.35	391.84	13.67	-25.68
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005730637	0	46	-1.0	-39.35	391.84	13.67	-25.68
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(=O)[O-])O1	REAL300005730638	0	41	-1.0	-43.04	355.49	12.15	-30.89
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300005730639	0	50	-1.0	-57.39	401.43	14.60	-42.79
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300005730640	0	47	-1.0	-59.86	387.09	14.04	-45.82
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1CCCC(C(=O)[O-])C1	REAL300005730641	0	50	-1.0	-53.99	395.71	13.84	-40.15
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300005730642	0	43	-1.0	-49.78	363.28	11.57	-38.21
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005730643	0	43	-1.0	-43.28	357.01	12.14	-31.14
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CC(C)(C)CC(=O)[O-]	REAL300005730644	0	49	-1.0	-48.77	371.56	12.82	-35.95
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300005730645	0	44	-1.0	-47.36	369.69	13.07	-34.29
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300005730646	0	42	-1.0	-44.48	361.41	10.79	-33.69
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300005730647	0	50	-1.0	-47.65	388.95	13.43	-34.22
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1CCC(C(=O)[O-])CC1	REAL300005730648	0	50	-1.0	-58.88	379.57	13.43	-45.45
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300005730649	0	47	-1.0	-56.44	397.51	14.50	-41.94
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CN1C=C(C(=O)[O-])N=N1	REAL300005730650	0	43	-1.0	-58.14	366.09	10.00	-48.14
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(=O)[O-])C(C)=N1	REAL300005730651	0	46	-1.0	-44.58	382.32	13.10	-31.48
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005730652	0	44	-1.0	-48.03	363.66	13.01	-35.02
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300005730653	0	47	-1.0	-54.65	363.77	12.59	-42.06
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300005730654	0	47	-1.0	-54.18	379.86	13.53	-40.65
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=C(CC(=O)[O-])OC=C1	REAL300005730655	0	44	-1.0	-60.49	365.60	12.23	-48.26
CC1=COC(CC(=O)[O-])=C1C(=O)N(CC1=CC=CC=C1)C1=CC=CC=C1C	REAL300005730656	0	47	-1.0	-61.83	384.56	12.70	-49.13
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300005730657	0	43	-1.0	-51.42	365.79	12.61	-38.81
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CC1CCC(C(=O)[O-])CC1	REAL300005730658	0	53	-1.0	-48.92	400.68	14.06	-34.86
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CC(C)(C)CC(=O)[O-]	REAL300005730659	0	49	-1.0	-48.77	371.56	12.82	-35.95
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CCCC(=O)[O-]	REAL300005730660	0	43	-1.0	-52.87	349.21	11.98	-40.89
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CC(C)CC(=O)[O-]	REAL300005730661	0	46	-1.0	-51.19	361.82	12.44	-38.75
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300005730662	0	46	-1.0	-56.52	377.73	12.32	-44.20
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005730663	0	51	-1.0	-67.26	417.75	14.79	-52.47
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=NOC(C(=O)[O-])=C1	REAL300005730664	0	40	-1.0	-42.73	339.57	11.10	-31.63
CC1=C(C(=O)N(CC2=CC=CC=C2)C2=CC=CC=C2C)C=C(C(=O)[O-])O1	REAL300005730665	0	44	-1.0	-47.43	358.41	11.95	-35.48
CC1=C(C(=O)[O-])OC(C(=O)N(CC2=CC=CC=C2)C2=CC=CC=C2C)=C1	REAL300005730666	0	44	-1.0	-43.82	364.74	12.27	-31.55
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CN1C=C(C(=O)[O-])C=N1	REAL300005730667	0	44	-1.0	-55.91	379.55	11.92	-43.99
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300005730668	0	45	-1.0	-45.16	385.38	13.29	-31.87
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300005730669	0	48	-1.0	-47.12	394.65	13.29	-33.83
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CCSCC(=O)[O-]	REAL300005730670	0	44	-1.0	-46.96	372.24	12.56	-34.40
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300005730671	0	43	-1.0	-43.28	357.01	12.14	-31.14
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)COCC(=O)[O-]	REAL300005730672	0	41	-1.0	-56.18	341.34	11.24	-44.94
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC(C(=O)[O-])=NN1C	REAL300005730673	0	44	-1.0	-50.48	359.41	10.59	-39.89
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300005730674	0	48	-1.0	-58.09	377.52	12.53	-45.56
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300005730675	0	47	-1.0	-49.21	378.81	13.49	-35.72
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300005730676	0	48	-1.0	-48.65	395.75	14.30	-34.35
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300005730677	0	45	-1.0	-48.83	390.98	13.23	-35.60
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300005730678	0	47	-1.0	-63.70	395.19	9.12	-54.58
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300005730679	0	45	-1.0	-48.61	392.58	13.59	-35.02
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300005730680	0	47	-1.0	-54.65	363.77	12.59	-42.06
CC1=CC=C(C(=O)N(CC2=CC=CC=C2)C2=CC=CC=C2C)C=C1C(=O)[O-]	REAL300005730681	0	47	-1.0	-57.79	379.20	13.57	-44.22
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300005730682	0	43	-1.0	-41.86	358.51	11.22	-30.64
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC(C(=O)[O-])=CN=C1C	REAL300005730683	0	46	-1.0	-43.87	378.96	11.91	-31.96
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CN1C=CC(C(=O)[O-])=N1	REAL300005730684	0	44	-1.0	-68.80	370.29	11.51	-57.29
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300005730685	0	50	-1.0	-66.87	412.09	12.91	-53.96
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300005730686	0	44	-1.0	-52.71	338.89	12.71	-40.00
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300005730687	0	51	-1.0	-57.95	409.05	13.30	-44.65
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300005730688	0	51	-1.0	-49.48	415.08	12.64	-36.84
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300005730689	0	44	-1.0	-52.71	338.89	12.71	-40.00
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300005730690	0	41	-1.0	-63.17	341.14	12.44	-50.73
CC1=C(C(=O)N(CC2=CC=CC=C2)C2=CC=CC=C2C)OC(C(=O)[O-])=C1	REAL300005730691	0	44	-1.0	-43.83	373.45	12.90	-30.93
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300005730692	0	52	-1.0	-58.09	392.16	14.67	-43.42
CCC(C(=O)[O-])C(=O)N(CC1=CC=CC=C1)C1=CC=CC=C1C	REAL300005730693	0	43	-1.0	-47.63	339.06	11.46	-36.17
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C(C(=O)[O-])C(C)C	REAL300005730694	0	46	-1.0	-45.13	348.22	11.80	-33.33
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300005730695	0	50	-1.0	-59.38	363.03	13.40	-45.98
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C[N@H+]1CCCC(C(=O)[O-])C1	REAL300005730696	1	52	-1.0	-48.02	412.22	11.90	-36.12
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CN1CCCC(C(=O)[O-])C1	REAL300005730696	1	52	-1.0	-48.02	412.22	11.90	-36.12
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	REAL300005730697	0	41	-1.0	-50.12	337.82	11.84	-38.28
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005730698	0	51	-1.0	-67.26	417.75	14.79	-52.47
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300005730699	0	51	-1.0	-64.18	422.29	15.48	-48.70
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1CC2(CC2C(=O)[O-])C1	REAL300005730700	0	48	-1.0	-47.14	378.21	13.47	-33.67
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300005730701	0	44	-1.0	-53.16	358.07	12.57	-40.59
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C	REAL300005730702	0	50	-1.0	-64.90	394.68	14.04	-50.86
CC1=CC=C(C(=O)[O-])C=C1C(=O)N(CC1=CC=CC=C1)C1=CC=CC=C1C	REAL300005730703	0	47	-1.0	-50.07	387.40	13.99	-36.08
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1CC(C)(C(=O)[O-])C1	REAL300005730704	0	47	-1.0	-49.38	362.15	12.41	-36.97
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC(C(=O)[O-])=NN1	REAL300005730705	0	41	-1.0	-44.98	345.40	9.87	-35.11
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=NNC(C(=O)[O-])=C1	REAL300005730705	1	41	-1.0	-44.98	345.40	9.87	-35.11
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CN=CC(C(=O)[O-])=C1C	REAL300005730706	0	46	-1.0	-47.26	370.99	11.66	-35.60
CCCC(C(=O)[O-])C(=O)N(CC1=CC=CC=C1)C1=CC=CC=C1C	REAL300005730707	0	46	-1.0	-53.53	370.76	12.45	-41.08
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(=O)[O-])C=C1C	REAL300005730708	0	47	-1.0	-48.34	379.35	13.55	-34.79
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300005730709	0	44	-1.0	-46.42	378.27	13.48	-32.94
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300005730710	0	51	-1.0	-49.61	406.74	14.39	-35.22
COC1=CC(C(=O)[O-])=NC(C(=O)N(CC2=CC=CC=C2)C2=CC=CC=C2C)=C1	REAL300005730711	0	47	-1.0	-40.66	377.37	11.10	-29.56
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(C(=O)[O-])N1C	REAL300005730712	0	45	-1.0	-49.33	359.97	12.05	-37.28
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300005730713	0	50	-1.0	-47.39	400.20	14.30	-33.09
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CC1(CC(=O)[O-])CC1	REAL300005730714	0	47	-1.0	-52.99	375.87	13.11	-39.88
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300005730715	0	48	-1.0	-47.47	404.46	14.21	-33.26
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CSC(C(=O)[O-])=N1	REAL300005730716	0	40	-1.0	-40.52	346.35	10.93	-29.59
COC(C(=O)[O-])C(=O)N(CC1=CC=CC=C1)C1=CC=CC=C1C	REAL300005730717	0	41	-1.0	-51.55	335.04	10.60	-40.95
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@@]1(C)C[C@H]1C(=O)[O-]	REAL300005730718	0	44	-1.0	-57.16	339.76	11.53	-45.63
CC1=C(C(=O)N(CC2=CC=CC=C2)C2=CC=CC=C2C)C=C(C(=O)[O-])S1	REAL300005730719	0	44	-1.0	-49.20	382.22	13.21	-35.99
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300005730720	0	49	-1.0	-59.00	406.40	13.28	-45.72
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)/C=C/C1=CC=C(C(=O)[O-])C=C1	REAL300005730721	0	48	-1.0	-50.04	396.13	14.54	-35.50
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300005730722	0	45	-1.0	-44.84	381.67	12.57	-32.27
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300005730723	0	45	-1.0	-47.42	391.09	13.21	-34.21
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300005730724	0	45	-1.0	-45.56	373.46	11.71	-33.85
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300005730725	0	47	-1.0	-53.86	376.98	13.49	-40.37
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300005730726	0	47	-1.0	-51.95	402.28	13.21	-38.74
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC(C(=O)[O-])=CS1	REAL300005730727	0	41	-1.0	-58.08	356.97	12.31	-45.77
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300005730728	0	49	-1.0	-62.38	378.04	11.89	-50.49
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300005730729	0	50	-1.0	-51.23	402.96	15.10	-36.13
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-]	REAL300005730730	0	50	-1.0	-56.92	374.52	13.46	-43.46
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CC1=CC=C(C(=O)[O-])C=C1C	REAL300005730731	0	50	-1.0	-57.25	405.56	14.51	-42.74
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CC1=CC(C(=O)[O-])=CS1	REAL300005730732	0	44	-1.0	-57.23	389.08	13.65	-43.58
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300005730733	0	47	-1.0	-58.57	391.63	14.07	-44.50
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	REAL300005730734	0	47	-1.0	-56.84	378.50	13.28	-43.56
C=C(C)CCC(C)NC(=O)C1=CC=C(OCC(=O)[O-])C(OCC)=C1	REAL300005730735	0	48	-1.0	-52.75	394.30	8.91	-43.84
C=C(C)CCC(C)NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300005730736	0	45	-1.0	-52.04	390.96	4.33	-47.71
C=C(C)CCC(C)NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005730737	0	39	-1.0	-46.77	340.39	8.60	-38.17
C=C(C)CCC(C)NC(=O)C1=CC=C(N2N=C(C)C(CCC(=O)[O-])=C2C)C=C1	REAL300005730738	0	56	-1.0	-50.57	451.16	11.58	-38.99
C=C(C)CCC(C)NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300005730739	0	39	-1.0	-46.77	340.39	8.60	-38.17
C=C(C)CCC(C)NC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1	REAL300005730740	0	47	-1.0	-51.35	386.96	9.50	-41.85
C=C(C)CCC(C)NC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C(F)(F)F)C=C1	REAL300005730741	0	47	-1.0	-46.14	398.87	9.66	-36.48
C=C(C)CCC(C)NC(=O)C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])O2)CC1	REAL300005730742	0	52	-1.0	-61.91	435.26	6.16	-55.75
C=C(C)CCC(C)NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300005730743	0	47	-1.0	-49.35	387.32	9.78	-39.57
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C=C(C)CCC(C)NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300005730745	0	39	-1.0	-55.13	333.83	7.23	-47.90
C=C(C)CCC(C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005730746	0	44	-1.0	-62.09	364.12	8.64	-53.45
C=C(C)CCC(C)NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300005730747	0	50	-1.0	-51.74	390.96	10.85	-40.89
C=C(C)CCC(C)NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300005730748	0	44	-1.0	-62.09	364.12	8.64	-53.45
C=C(C)CCC(C)NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300005730749	0	44	-1.0	-67.63	370.25	10.07	-57.56
C=C(C)CCC(C)NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F	REAL300005730750	0	41	-1.0	-59.58	341.56	9.12	-50.46
C=C(C)CCC(C)NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300005730751	0	37	-1.0	-47.69	342.04	8.52	-39.17
C=C(C)CCC(C)NC(=O)C1=CC(OC)=CC(C(=O)[O-])=C1Cl	REAL300005730752	0	41	-1.0	-51.75	349.97	7.62	-44.13
C=C(C)CCC(C)NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300005730753	0	40	-1.0	-59.27	347.43	9.21	-50.06
C=C(C)CCC(C)NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300005730754	0	38	-1.0	-46.21	337.40	6.96	-39.25
C=C(C)CCC(C)NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300005730755	0	38	-1.0	-48.18	337.62	7.09	-41.09
C=C(C)CCC(C)NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300005730756	0	43	-1.0	-52.49	348.23	10.01	-42.48
C=C(C)CCC(C)NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1	REAL300005730757	0	44	-1.0	-45.63	361.23	9.47	-36.16
CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C(C)C1=CC=CC=C1Cl	REAL300005730758	0	40	-1.0	-48.36	344.67	9.76	-38.60
CC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C(C)C1=CC=CC=C1Cl	REAL300005730759	0	44	-1.0	-54.55	375.76	10.04	-44.51
CC(NC(=O)C1=CC=CC(C(=O)[O-])=C1)C(C)C1=CC=CC=C1Cl	REAL300005730760	0	40	-1.0	-55.62	344.50	9.68	-45.94
CC(NC(=O)C1=CC=C(C(=O)[O-])S1)C(C)C1=CC=CC=C1Cl	REAL300005730761	0	37	-1.0	-45.23	338.75	8.85	-36.38
CC(NC(=O)C1=CC=CC(C(=O)[O-])=N1)C(C)C1=CC=CC=C1Cl	REAL300005730762	0	39	-1.0	-49.91	342.56	7.97	-41.94
CC(SC1=CC=CC=C1C(=O)NC(C)C(C)C1=CC=CC=C1Cl)C(=O)[O-]	REAL300005730763	0	47	-1.0	-56.66	397.19	11.46	-45.20
CC(NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C(C)C1=CC=CC=C1Cl	REAL300005730764	0	46	-1.0	-51.86	390.56	11.17	-40.69
CC(NC(=O)C1=CC=NC(C(=O)[O-])=C1)C(C)C1=CC=CC=C1Cl	REAL300005730765	0	39	-1.0	-58.71	340.76	7.99	-50.72
CC(NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C(C)C1=CC=CC=C1Cl	REAL300005730766	0	44	-1.0	-50.69	379.01	10.87	-39.82
CC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(C)C1=CC=CC=C1Cl	REAL300005730767	0	42	-1.0	-39.96	372.85	10.43	-29.53
CC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C(C)C1=CC=CC=C1Cl	REAL300005730768	0	42	-1.0	-39.96	372.85	10.43	-29.53
CC(NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C(C)C1=CC=CC=C1Cl	REAL300005730769	0	47	-1.0	-53.57	402.37	10.85	-42.72
CC(NC(=O)C1=CC=C(C(=O)[O-])O1)C(C)C1=CC=CC=C1Cl	REAL300005730770	0	37	-1.0	-43.29	331.11	8.15	-35.14
CC(NC(=O)CCC1=CC=CC=C1C(=O)[O-])C(C)C1=CC=CC=C1Cl	REAL300005730771	0	46	-1.0	-53.14	381.40	10.81	-42.33
CC1=CC(C(=O)NC(C)C(C)C2=CC=CC=C2Cl)=CC(C)=C1OCC(=O)[O-]	REAL300005730772	0	50	-1.0	-49.48	419.77	11.60	-37.88
CC(NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C(C)C1=CC=CC=C1Cl	REAL300005730773	0	43	-1.0	-59.88	369.35	10.41	-49.47
CC(NC(=O)C1CCCC(C(=O)[O-])C1)C(C)C1=CC=CC=C1Cl	REAL300005730774	0	46	-1.0	-56.81	364.08	9.75	-47.06
CC(NC(=O)C1=CC=C(C(=O)[O-])N=C1)C(C)C1=CC=CC=C1Cl	REAL300005730775	0	39	-1.0	-48.30	340.37	7.90	-40.40
CC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C(C)C1=CC=CC=C1Cl	REAL300005730776	0	39	-1.0	-42.23	342.08	8.01	-34.22
CC(NC(=O)CC(C)(C)CC(=O)[O-])C(C)C1=CC=CC=C1Cl	REAL300005730777	0	45	-1.0	-47.81	353.65	9.12	-38.69
CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C(C)C1=CC=CC=C1Cl	REAL300005730778	0	40	-1.0	-47.97	349.20	9.82	-38.15
CC(NC(=O)C1=CN=C(C(=O)[O-])C=N1)C(C)C1=CC=CC=C1Cl	REAL300005730779	0	38	-1.0	-43.65	337.47	6.09	-37.56
CC(NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)C1=CC=CC=C1Cl	REAL300005730780	0	46	-1.0	-49.14	370.81	9.99	-39.15
CC(NC(=O)C1CCC(C(=O)[O-])CC1)C(C)C1=CC=CC=C1Cl	REAL300005730781	0	46	-1.0	-58.25	362.95	9.81	-48.44
CC(NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C(C)C1=CC=CC=C1Cl	REAL300005730782	0	43	-1.0	-56.78	369.16	10.36	-46.42
CC(NC(=O)CN1C=C(C(=O)[O-])N=N1)C(C)C1=CC=CC=C1Cl	REAL300005730783	0	39	-1.0	-59.34	346.30	6.33	-53.01
CC1=NC(C(=O)NC(C)C(C)C2=CC=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300005730784	0	42	-1.0	-41.73	358.35	8.55	-33.18
CC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C(C)C1=CC=CC=C1Cl	REAL300005730785	0	40	-1.0	-48.36	344.67	9.76	-38.60
CC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)C1=CC=CC=C1Cl	REAL300005730786	0	43	-1.0	-55.48	352.03	9.32	-46.16
CC(NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C(C)C1=CC=CC=C1Cl	REAL300005730787	0	43	-1.0	-53.44	366.87	10.51	-42.93
CC(NC(=O)C1=C(CC(=O)[O-])OC=C1)C(C)C1=CC=CC=C1Cl	REAL300005730788	0	40	-1.0	-56.22	347.11	8.67	-47.55
CC1=COC(CC(=O)[O-])=C1C(=O)NC(C)C(C)C1=CC=CC=C1Cl	REAL300005730789	0	43	-1.0	-48.81	373.97	9.29	-39.52
CC(NC(=O)C1=CC(C(=O)[O-])=CC=N1)C(C)C1=CC=CC=C1Cl	REAL300005730790	0	39	-1.0	-49.03	342.27	8.03	-41.00
CC(NC(=O)C12CC(C(=O)[O-])(C1)C2)C(C)C1=CC=CC=C1Cl	REAL300005730791	0	41	-1.0	-47.61	347.93	9.32	-38.29
CC(NC(=O)C1(C(=O)[O-])CCC1)C(C)C1=CC=CC=C1Cl	REAL300005730792	0	40	-1.0	-43.95	331.47	8.74	-35.21
CC(NC(=O)CC1CCC(C(=O)[O-])CC1)C(C)C1=CC=CC=C1Cl	REAL300005730793	0	49	-1.0	-53.23	389.30	10.61	-42.62
CC(NC(=O)C12CCC(C(=O)[O-])(CC1)C2)C(C)C1=CC=CC=C1Cl	REAL300005730794	0	47	-1.0	-53.13	378.55	10.09	-43.04
CC(NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C(C)C1=CC=CC=C1Cl	REAL300005730795	0	50	-1.0	-49.58	388.25	10.65	-38.93
CC(NC(=O)CC(C)(C)CC(=O)[O-])C(C)C1=CC=CC=C1Cl	REAL300005730796	0	45	-1.0	-47.81	353.65	9.12	-38.69
CC(CC(=O)[O-])CC(=O)NC(C)C(C)C1=CC=CC=C1Cl	REAL300005730797	0	42	-1.0	-50.32	343.89	8.73	-41.59
CC(NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C(C)C1=CC=CC=C1Cl	REAL300005730798	0	42	-1.0	-55.64	366.54	9.05	-46.59
CC(NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C(C)C1=CC=CC=C1Cl	REAL300005730799	0	47	-1.0	-61.65	396.83	10.46	-51.19
CC(NC(=O)C1=NOC(C(=O)[O-])=C1)C(C)C1=CC=CC=C1Cl	REAL300005730800	0	36	-1.0	-40.02	325.54	7.33	-32.69
CC(NC(=O)C1(C(=O)[O-])CCCC1)C(C)C1=CC=CC=C1Cl	REAL300005730801	0	43	-1.0	-44.29	348.56	9.32	-34.97
CC(NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C(C)C1=CC=CC=C1Cl	REAL300005730802	0	53	-1.0	-52.69	423.65	12.65	-40.04
CC1=C(C(=O)NC(C)C(C)C2=CC=CC=C2Cl)C=C(C(=O)[O-])O1	REAL300005730803	0	40	-1.0	-46.35	347.82	8.88	-37.47
CC1=C(C(=O)[O-])OC(C(=O)NC(C)C(C)C2=CC=CC=C2Cl)=C1	REAL300005730804	0	40	-1.0	-44.06	349.03	8.73	-35.33
CC(NC(=O)CN1C=C(C(=O)[O-])C=N1)C(C)C1=CC=CC=C1Cl	REAL300005730805	0	40	-1.0	-56.18	351.23	7.82	-48.36
CC(NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C(C)C1=CC=CC=C1Cl	REAL300005730806	0	41	-1.0	-48.08	364.00	9.27	-38.81
CC(NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C(C)C1=CC=CC=C1Cl	REAL300005730807	0	47	-1.0	-42.61	375.51	10.35	-32.26
CC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(C)C1=CC=CC=C1Cl	REAL300005730808	0	44	-1.0	-48.03	375.68	10.05	-37.98
CC(NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C(C)C1=CC=CC=C1Cl	REAL300005730809	0	49	-1.0	-57.31	412.86	10.32	-46.99
CC(NC(=O)CCSCC(=O)[O-])C(C)C1=CC=CC=C1Cl	REAL300005730810	0	40	-1.0	-46.43	354.32	8.86	-37.57
CC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C(C)C1=CC=CC=C1Cl	REAL300005730811	0	39	-1.0	-42.23	342.08	8.01	-34.22
CC(NC(=O)C1=CC(C(=O)[O-])=NN1C)C(C)C1=CC=CC=C1Cl	REAL300005730812	0	40	-1.0	-50.33	346.86	7.37	-42.96
CC(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C(C)C1=CC=CC=C1Cl	REAL300005730813	0	44	-1.0	-55.64	366.90	9.26	-46.38
CC(NC(=O)C(C)(C)CCC(=O)[O-])C(C)C1=CC=CC=C1Cl	REAL300005730814	0	45	-1.0	-52.65	362.46	9.22	-43.43
CC(NC(=O)C1=CC=C(CC(=O)[O-])C=C1)C(C)C1=CC=CC=C1Cl	REAL300005730815	0	43	-1.0	-47.62	366.86	10.53	-37.09
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COC1=CC=C([C@@H]2CN(C(=O)C3CCN(C(C)=O)CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005947903	0	52	-1.0	-57.71	402.81	8.05	-49.66
COC1=CC=C([C@@H]2CN(C(=O)C3=CN4C(=N3)C=CC=C4C)C[C@H]2C(=O)[O-])C=C1	REAL300005947904	0	48	-1.0	-62.91	391.59	10.69	-52.22
COC1=CC=C([C@@H]2CN(C(=O)C3CC(=O)N(C4CC4)C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947905	0	50	-1.0	-56.55	394.91	8.33	-48.22
COC1=CC=C([C@@H]2CN(C(=O)C3=CN4C=CC(C)=CC4=N3)C[C@H]2C(=O)[O-])C=C1	REAL300005947906	0	48	-1.0	-60.13	391.72	10.79	-49.34
COC1=CC=C([C@@H]2CN(C(=O)CCNC(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005947907	0	55	-1.0	-48.23	435.20	6.64	-41.59
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=CC=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300005947908	0	46	-1.0	-55.82	368.95	9.20	-46.62
COC1=CC=C([C@@H]2CN(C(=O)CC3=CNC4=CC=CC=C34)C[C@H]2C(=O)[O-])C=C1	REAL300005947909	0	49	-1.0	-50.26	401.38	10.02	-40.24
COC1=CC=C([C@@H]2CN(C(=O)C3=CN4C=CC=CC4=N3)C[C@H]2C(=O)[O-])C=C1	REAL300005947910	0	45	-1.0	-59.98	370.30	10.14	-49.84
COC1=CC=C([C@@H]2CN(C(=O)C3=NN(C)C(=O)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947911	0	44	-1.0	-51.36	364.24	6.61	-44.75
COC1=CC=C([C@@H]2CN(C(=O)C3=CC(F)=CC=C3F)C[C@H]2C(=O)[O-])C=C1	REAL300005947912	0	42	-1.0	-60.15	354.59	9.02	-51.13
COC1=CC=C([C@@H]2CN(C(=O)CC3=NOC4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300005947913	0	47	-1.0	-57.05	391.03	9.27	-47.78
COC1=CC=C([C@@H]2CN(C(=O)C3=NN(C)C(=O)CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005947914	0	46	-1.0	-48.05	374.12	6.64	-41.41
COC1=CC=C([C@@H]2CN(C(=O)C3=C4C(C)=NOC4=NC(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947915	0	49	-1.0	-52.12	396.39	6.46	-45.66
COC1=CC=C([C@@H]2CN(C(=O)CC3=CC=C4OCCC4=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947916	0	50	-1.0	-47.06	404.64	9.74	-37.32
COC1=CC=C([C@@H]2CN(C(=O)C3CC(=O)NC4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300005947917	0	50	-1.0	-58.72	405.46	8.07	-50.65
COC1=CC=C([C@@H]2CN(C(=O)C3=C4N=CC=CN4N=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947918	0	44	-1.0	-62.66	362.23	7.78	-54.88
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C4NC=CC4=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947919	0	46	-1.0	-54.50	369.42	8.83	-45.67
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(C)NC3=O)C[C@H]2C(=O)[O-])C=C1	REAL300005947920	0	45	-1.0	-70.65	373.41	6.64	-64.01
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C4C=CNC4=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947921	0	46	-1.0	-53.91	369.46	8.81	-45.10
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C4C(=C3)N=NN4C)C[C@H]2C(=O)[O-])C=C1	REAL300005947922	0	47	-1.0	-54.94	382.64	7.25	-47.69
COC1=CC=C([C@@H]2CN(C(=O)C3=CN(C)C(=O)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947923	0	45	-1.0	-54.94	372.64	7.92	-47.02
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=CC(CC#N)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947924	0	46	-1.0	-53.67	381.36	9.97	-43.70
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=CC4=C3OCO4)C[C@H]2C(=O)[O-])C=C1	REAL300005947925	0	45	-1.0	-66.32	368.93	7.63	-58.69
COC1=CC=C([C@@H]2CN(C(=O)C(C)OC3=CC=CC(C#N)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947926	0	50	-1.0	-54.00	412.57	10.63	-43.37
COC1=CC=C([C@@H]2CN(C(=O)C3=CN=C4SN=C(C)C4=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947927	0	46	-1.0	-42.47	388.19	7.64	-34.83
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(C(N)=O)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300005947928	0	45	-1.0	-53.39	373.59	4.75	-48.64
COC1=CC=C([C@@H]2CN(C(=O)C3=CN4C(C)=NN=C4C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947929	0	47	-1.0	-53.58	390.81	10.25	-43.33
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(C(N)=O)S3)C[C@H]2C(=O)[O-])C=C1	REAL300005947930	0	43	-1.0	-49.80	369.80	4.71	-45.09
COC1=CC=C([C@@H]2CN(C(=O)C3=CN=C(C4CC4)S3)C[C@H]2C(=O)[O-])C=C1	REAL300005947931	0	45	-1.0	-57.53	379.50	8.45	-49.08
CCN1N=C(C(=O)N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C=CC1=O	REAL300005947932	0	47	-1.0	-47.93	386.02	7.47	-40.46
COC1=CC=C([C@@H]2CN(C(=O)C3=C(C(C)C)OC=N3)C[C@H]2C(=O)[O-])C=C1	REAL300005947933	0	47	-1.0	-50.83	379.49	6.64	-44.19
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=NC(C4CC4)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300005947934	0	47	-1.0	-51.99	384.22	9.38	-42.61
COC1=CC=C([C@@H]2CN(C(=O)C3=C(C)ON=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300005947935	0	44	-1.0	-47.85	368.29	8.10	-39.75
COC1=CC=C([C@@H]2CN(C(=O)C3=CC4=NNN=C4C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947936	0	44	-1.0	-50.96	359.35	6.08	-44.88
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(C)N3C)C[C@H]2C(=O)[O-])C=C1	REAL300005947937	0	46	-1.0	-55.17	364.88	8.87	-46.30
COC1=CC=C([C@@H]2CN(C(=O)C3=CN(C4=CC=CC=C4)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300005947938	0	48	-1.0	-59.27	398.50	9.19	-50.08
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(OC)C=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300005947939	0	50	-1.0	-65.07	400.52	8.53	-56.54
COC1=CC=C([C@@H]2CN(C(=O)C3=C(C)C(C(C)=O)=C(C)N3)C[C@H]2C(=O)[O-])C=C1	REAL300005947940	0	51	-1.0	-53.17	410.18	8.94	-44.23
COC1=CC=C([C@@H]2CN(C(=O)C3=CC(OC)=C(C)C(OC)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947941	0	53	-1.0	-49.12	417.62	8.26	-40.86
COC1=CC=C([C@@H]2CN(C(=O)COC3=CC=CC(C(C)=O)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947942	0	51	-1.0	-54.33	418.51	10.25	-44.08
COC1=CC=C([C@@H]2CN(C(=O)CN3C=CC(C(F)(F)F)=N3)C[C@H]2C(=O)[O-])C=C1	REAL300005947943	0	45	-1.0	-51.60	390.85	8.31	-43.29
COC1=CC=C([C@@H]2CN(C(=O)C3=NOC(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947944	0	41	-1.0	-53.30	340.69	7.52	-45.78
CCN1N=NC2=CC(C(=O)N3C[C@@H](C4=CC=C(OC)C=C4)[C@H](C(=O)[O-])C3)=CC=C21	REAL300005947945	0	50	-1.0	-54.81	404.45	8.12	-46.69
COC1=CC=C([C@@H]2CN(C(=O)C3OC4=CC=CC=C4OC3C)C[C@H]2C(=O)[O-])C=C1	REAL300005947946	0	51	-1.0	-48.47	398.28	9.78	-38.69
COC1=CC=C([C@@H]2CN(C(=O)C3=CC(OC)=CC=C3OC)C[C@H]2C(=O)[O-])C=C1	REAL300005947947	0	50	-1.0	-55.95	397.74	8.45	-47.50
COC1=CC=C([C@@H]2CN(C(=O)CCC3=C(C)ON=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300005947948	0	50	-1.0	-47.25	407.62	9.49	-37.76
COC1=CC=C([C@@H]2CN(C(=O)CC3=C(C)ON=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300005947949	0	47	-1.0	-47.86	386.73	8.73	-39.13
CCC1=NOC(C)=C1C(=O)N1C[C@@H](C2=CC=C(OC)C=C2)[C@H](C(=O)[O-])C1	REAL300005947950	0	47	-1.0	-47.10	384.96	8.66	-38.44
COC1=CC=C([C@@H]2CN(C(=O)C=CC3=CN(C)N=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947951	0	46	-1.0	-51.79	381.81	8.27	-43.52
COC1=CC=C([C@@H]2CN(C(=O)C3=C(C)N=C(C)S3)C[C@H]2C(=O)[O-])C=C1	REAL300005947952	0	44	-1.0	-49.61	365.65	7.41	-42.20
COC1=CC=C([C@@H]2CN(C(=O)C3=CC(C(C)=O)=CN3C)C[C@H]2C(=O)[O-])C=C1	REAL300005947953	0	48	-1.0	-61.69	390.52	8.90	-52.79
COC1=CC=C([C@@H]2CN(C(=O)CCC3=C(C)N(C)N=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300005947954	0	54	-1.0	-49.05	432.74	9.54	-39.51
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=CC4=NC=CC=C34)C[C@H]2C(=O)[O-])C=C1	REAL300005947955	0	47	-1.0	-53.76	378.70	9.21	-44.55
COC1=CC=C([C@@H]2CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005947956	0	54	-1.0	-50.02	428.22	7.27	-42.75
COC1=CC=C([C@@H]2CN(C(=O)CCC3=NC(C(C)C)=NO3)C[C@H]2C(=O)[O-])C=C1	REAL300005947957	0	52	-1.0	-46.69	424.72	7.43	-39.26
COC1=CC=C([C@@H]2CN(C(=O)COC3=CC=CC(OC)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947958	0	50	-1.0	-49.48	407.51	9.15	-40.33
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(C4=CN=CO4)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947959	0	48	-1.0	-52.21	393.40	7.21	-45.00
COC1=CC=C([C@@H]2CN(C(=O)CCC3=CN(C)N=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947960	0	48	-1.0	-48.26	392.98	8.50	-39.76
COC1=CC=C([C@@H]2CN(C(=O)CN3C=C(C)C=N3)C[C@H]2C(=O)[O-])C=C1	REAL300005947961	0	45	-1.0	-53.72	371.36	8.03	-45.69
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=CC(N4C=CC=C4)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947962	0	50	-1.0	-50.90	399.99	11.58	-39.32
COC1=CC=C([C@@H]2CN(C(=O)C3=NOC(C4=CC=CC=C4)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947963	0	48	-1.0	-53.08	398.65	10.46	-42.62
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C4NC(=O)CCC4=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947964	0	50	-1.0	-51.76	398.37	7.99	-43.77
COC1=CC=C([C@@H]2CN(C(=O)C3=COC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947965	0	39	-1.0	-50.08	321.41	6.87	-43.21
COCC1=CC=C(C(=O)N2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300005947966	0	46	-1.0	-57.40	381.12	7.21	-50.19
COC1=CC=C([C@@H]2CN(C(=O)C3C(C=C(C)C)C3(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005947967	0	55	-1.0	-52.84	424.27	11.37	-41.47
COC1=CC=C([C@@H]2CN(C(=O)C(NC(C)=O)C3CCCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005947968	0	55	-1.0	-54.14	421.69	8.12	-46.02
COC1=CC=C([C@@H]2CN(C(=O)CC3=CC=C(C)C(OC)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947969	0	52	-1.0	-47.74	418.67	9.95	-37.79
COC1=CC=C([C@@H]2CN(C(=O)CCC3=CC=C(C(C)C)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947970	0	57	-1.0	-44.53	450.32	12.63	-31.90
COC1=CC=C([C@@H]2CN(C(=O)CCC3=CC=CC(OC)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947971	0	52	-1.0	-51.14	418.48	10.04	-41.10
COC1=CC=C([C@@H]2CN(C(=O)CCC3=CC=CC(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947972	0	51	-1.0	-48.45	410.37	11.40	-37.05
COC1=CC=C([C@@H]2CN(C(=O)CCC3=CC=C(Cl)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947973	0	48	-1.0	-44.94	407.57	11.29	-33.65
COC1=CC=C([C@@H]2CN(C(=O)CCC3=CC=CC(Cl)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947974	0	48	-1.0	-48.82	405.70	11.25	-37.57
COC1=CC=C([C@@H]2CN(C(=O)C3=CC4=C(C)C=C(C)C=C4N3)C[C@H]2C(=O)[O-])C=C1	REAL300005947975	0	52	-1.0	-46.19	415.87	10.59	-35.60
COC1=CC=C([C@@H]2CN(C(=O)C3=CC4=CC=C(C)C=C4N3)C[C@H]2C(=O)[O-])C=C1	REAL300005947976	0	49	-1.0	-50.27	393.57	9.95	-40.32
COC1=CC=C([C@@H]2CN(C(=O)CCC(=O)C3=CC=C(C)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947977	0	53	-1.0	-48.55	432.48	11.27	-37.28
COC1=CC=C([C@@H]2CN(C(=O)CCNC(C)=O)C[C@H]2C(=O)[O-])C=C1	REAL300005947978	0	45	-1.0	-51.00	369.49	5.22	-45.78
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(Cl)S3)C[C@H]2C(=O)[O-])C=C1	REAL300005947979	0	39	-1.0	-47.37	348.67	8.53	-38.84
COC1=CC=C([C@@H]2CN(C(=O)CCCOC3=CC=C(C)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947980	0	55	-1.0	-46.71	441.47	10.96	-35.75
COC1=CC=C([C@@H]2CN(C(=O)CCCOC3=CC=CC(C)=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947981	0	55	-1.0	-47.94	442.24	11.03	-36.91
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C(OC(C)C)C=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947982	0	52	-1.0	-46.25	410.42	10.34	-35.91
COC1=CC=C([C@@H]2CN(C(=O)C3=CC=C4CCCCC4=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947983	0	52	-1.0	-51.25	401.24	11.29	-39.96
COC1=CC=C([C@@H]2CN(C(=O)CC(C)C3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947984	0	51	-1.0	-44.29	403.53	11.13	-33.16
COC1=CC=C([C@@H]2CN(C(=O)C3=CSC4=CC=CC=C34)C[C@H]2C(=O)[O-])C=C1	REAL300005947985	0	45	-1.0	-52.82	374.49	10.22	-42.60
COC1=CC=C([C@@H]2CN(C(=O)C3(C)CCCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005947986	0	48	-1.0	-45.36	362.31	8.87	-36.49
COC1=CC=C([C@@H]2CN(C(=O)CCC3=CC=C(C)C=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300005947987	0	54	-1.0	-45.46	428.97	11.96	-33.50
COC1=CC=C([C@@H]2CN(C(=O)C3=CC(F)=CC=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300005947988	0	45	-1.0	-52.55	367.15	9.57	-42.98
COC1=CC=C([C@@H]2CN(C(=O)C3(O)CCCCC3)C[C@H]2C(=O)[O-])C=C1	REAL300005947989	0	49	-1.0	-45.92	373.97	6.37	-39.55
COC1=CC=C([C@@H]2CN(C(=O)C3=C(C)C=C(C)NC3=O)C[C@H]2C(=O)[O-])C=C1	REAL300005947990	0	48	-1.0	-61.75	391.38	7.19	-54.56
COC1=CC=C([C@@H]2CN(C(=O)C3=C(C)N(C)N=C3C)C[C@H]2C(=O)[O-])C=C1	REAL300005947991	0	48	-1.0	-51.70	391.60	7.99	-43.71
COC1=CC=C([C@@H]2CN(C(=O)C=CC3=CC=C4OCCC4=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947992	0	51	-1.0	-48.32	414.07	10.30	-38.02
COC1=CC=C([C@@H]2CN(C(=O)C=CC3=CC4=CC=CC=C4O3)C[C@H]2C(=O)[O-])C=C1	REAL300005947993	0	49	-1.0	-50.84	408.02	10.97	-39.87
COC1=CC=C([C@@H]2CN(C(=O)C3=C(C)N(C)N=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947994	0	45	-1.0	-50.06	362.39	7.06	-43.00
COC1=CC=C([C@@H]2CN(C(=O)CCC(C)(C)C)C[C@H]2C(=O)[O-])C=C1	REAL300005947995	0	50	-1.0	-43.67	385.41	9.37	-34.30
COC1=CC=C([C@@H]2CN(C(=O)CC3CCC4=CC=CC=C43)C[C@H]2C(=O)[O-])C=C1	REAL300005947996	0	52	-1.0	-48.12	404.85	11.70	-36.42
COC1=CC=C([C@@H]2CN(C(=O)C3=CC4=C(CCCC4)NC3=O)C[C@H]2C(=O)[O-])C=C1	REAL300005947997	0	52	-1.0	-68.33	414.79	8.47	-59.86
COC1=CC=C([C@@H]2CN(C(=O)CCC3CC3)C[C@H]2C(=O)[O-])C=C1	REAL300005947998	0	45	-1.0	-50.73	362.39	9.31	-41.42
COC1=CC=C([C@@H]2CN(C(=O)CCN3C=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300005947999	0	46	-1.0	-44.95	376.65	9.83	-35.12
COC1=CC=C([C@@H]2CN(C(=O)C3=CC(C(C)C)=NN3C)C[C@H]2C(=O)[O-])C=C1	REAL300005948000	0	51	-1.0	-52.50	402.03	8.55	-43.95
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562068	0	33	-1.0	-62.69	287.61	4.56	-58.13
CC1=C(Br)C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007562069	0	34	-1.0	-52.18	317.45	6.68	-45.50
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562070	0	40	-1.0	-64.11	335.96	4.83	-59.28
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C	REAL300007562071	0	40	-1.0	-47.91	340.70	1.02	-46.89
O=C([O-])C1CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007562072	0	47	-1.0	-48.35	339.98	5.94	-42.41
CC1=NC2=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=CC=C2C=C1	REAL300007562073	0	37	-1.0	-73.56	313.67	6.22	-67.34
O=C([O-])C1CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007562074	0	37	-1.0	-73.55	321.10	6.86	-66.69
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007562075	0	40	-1.0	-57.86	332.51	3.55	-54.31
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562076	0	43	-1.0	-68.58	374.42	5.78	-62.80
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562077	0	43	-1.0	-64.16	365.23	6.32	-57.84
CC(COC1CCCC1)CS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562078	0	45	-1.0	-63.84	357.76	6.23	-57.61
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007562079	0	44	-1.0	-68.49	373.87	5.99	-62.50
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562080	0	36	-1.0	-57.41	323.94	5.31	-52.10
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007562081	0	37	-1.0	-59.27	313.41	2.76	-56.51
COC1=CC(Br)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562082	0	33	-1.0	-57.81	306.16	4.92	-52.89
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007562083	0	33	-1.0	-57.00	297.36	4.82	-52.18
COC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007562084	0	35	-1.0	-43.84	304.39	4.79	-39.05
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562085	0	35	-1.0	-57.33	303.04	6.32	-51.01
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562086	0	35	-1.0	-63.15	303.27	6.35	-56.80
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300007562087	0	35	-1.0	-43.90	303.25	5.56	-38.34
COCCN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=N1	REAL300007562088	0	36	-1.0	-60.07	315.11	2.62	-57.45
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007562089	0	36	-1.0	-61.74	319.74	5.54	-56.20
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1C	REAL300007562090	0	56	-1.0	-56.86	442.30	9.53	-47.33
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300007562091	0	43	-1.0	-49.64	359.91	1.98	-47.66
O=C([O-])C1CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007562092	0	37	-1.0	-62.60	328.52	7.21	-55.39
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007562093	0	34	-1.0	-48.33	290.10	4.42	-43.91
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007562094	0	32	-1.0	-62.62	301.33	6.29	-56.33
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300007562095	0	32	-1.0	-62.81	295.52	6.34	-56.47
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007562096	0	36	-1.0	-71.07	319.97	2.86	-68.21
CC1=CC(Br)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562097	0	32	-1.0	-58.85	298.05	6.27	-52.58
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562098	0	32	-1.0	-57.93	282.89	5.88	-52.05
COC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1Br	REAL300007562099	0	33	-1.0	-44.94	298.71	4.02	-40.92
COC1=CC(OC)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Cl	REAL300007562100	0	37	-1.0	-64.19	325.81	4.77	-59.42
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007562101	0	32	-1.0	-62.65	299.32	4.07	-58.58
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007562102	0	32	-1.0	-63.04	293.29	3.90	-59.14
CC1(C)CC2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C2O1	REAL300007562103	0	40	-1.0	-58.88	332.74	6.23	-52.65
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007562104	0	32	-1.0	-59.02	294.47	3.78	-55.24
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1I	REAL300007562105	0	32	-1.0	-44.21	294.21	5.67	-38.54
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562106	0	41	-1.0	-62.72	359.05	4.21	-58.51
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562107	0	46	-1.0	-63.44	389.56	3.90	-59.54
CSC1=CC=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562108	0	33	-1.0	-64.68	285.83	5.52	-59.16
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562109	0	46	-1.0	-67.59	398.27	3.50	-64.09
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300007562110	0	37	-1.0	-50.97	327.78	0.83	-50.14
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300007562111	0	43	-1.0	-67.13	392.72	2.33	-64.80
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(OC)=C1	REAL300007562112	0	44	-1.0	-69.98	375.73	2.20	-67.78
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1	REAL300007562113	0	43	-1.0	-64.51	378.89	2.92	-61.59
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562114	0	40	-1.0	-50.37	324.41	4.00	-46.37
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300007562115	0	43	-1.0	-49.63	370.73	2.50	-47.13
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007562116	0	44	-1.0	-56.78	354.88	5.15	-51.63
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300007562117	0	40	-1.0	-50.03	349.24	1.72	-48.31
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007562118	0	44	-1.0	-44.10	362.62	4.48	-39.62
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007562119	0	41	-1.0	-52.16	337.88	3.49	-48.67
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562120	0	38	-1.0	-52.11	331.00	2.47	-49.64
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562121	0	39	-1.0	-69.94	341.91	2.01	-67.93
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Br	REAL300007562122	0	36	-1.0	-49.29	320.55	4.95	-44.34
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007562123	0	43	-1.0	-48.84	356.98	7.11	-41.73
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007562124	0	33	-1.0	-56.96	307.69	5.27	-51.69
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007562125	0	35	-1.0	-58.00	335.85	3.12	-54.88
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562126	0	36	-1.0	-63.06	324.93	5.64	-57.42
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2S1	REAL300007562127	0	43	-1.0	-57.98	368.36	6.94	-51.04
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562128	0	36	-1.0	-62.54	320.68	5.67	-56.87
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C21	REAL300007562129	0	41	-1.0	-60.25	346.10	6.52	-53.73
CCS(=O)(=O)NCCS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562130	0	36	-1.0	-69.45	320.07	-0.30	-69.75
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007562131	0	35	-1.0	-58.40	314.17	5.80	-52.60
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007562132	0	32	-1.0	-48.17	308.66	6.14	-42.03
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007562133	0	35	-1.0	-52.57	315.81	6.80	-45.77
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007562134	0	32	-1.0	-57.55	303.46	6.70	-50.85
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007562135	0	35	-1.0	-69.20	309.43	7.01	-62.19
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007562136	0	35	-1.0	-61.57	316.34	6.78	-54.79
O=C([O-])C1CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007562137	0	40	-1.0	-63.42	337.37	6.31	-57.11
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007562138	0	43	-1.0	-65.76	365.65	7.97	-57.79
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562139	0	42	-1.0	-65.15	361.91	6.52	-58.63
O=C([O-])C1CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007562140	0	40	-1.0	-68.57	356.22	2.02	-66.55
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007562141	0	38	-1.0	-53.73	319.30	6.92	-46.81
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1N(C)C	REAL300007562142	0	40	-1.0	-47.11	323.73	4.71	-42.40
O=C([O-])C1CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007562143	0	35	-1.0	-61.61	317.62	6.90	-54.71
O=C([O-])C1CCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007562144	0	34	-1.0	-65.34	292.72	1.67	-63.67
O=C([O-])C1CCCN1S(=O)(=O)CCOCC1CCCC1	REAL300007562145	0	42	-1.0	-59.49	340.96	5.42	-54.07
COC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Cl	REAL300007562146	0	36	-1.0	-63.22	310.03	5.19	-58.03
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562147	0	38	-1.0	-74.99	340.73	3.18	-71.81
CSC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Cl	REAL300007562148	0	33	-1.0	-49.50	303.99	5.52	-43.98
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562149	0	41	-1.0	-61.19	333.38	5.33	-55.86
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007562150	0	37	-1.0	-56.89	326.52	3.56	-53.33
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C12	REAL300007562151	0	36	-1.0	-53.17	316.59	2.71	-50.46
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007562152	0	40	-1.0	-53.80	351.92	4.82	-48.98
CN1N=CC2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CN=C21	REAL300007562153	0	34	-1.0	-56.40	299.71	4.12	-52.28
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007562154	0	35	-1.0	-47.52	315.98	6.93	-40.59
CCC1=CC(CC)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(CC)=C1	REAL300007562155	0	47	-1.0	-58.32	356.70	9.24	-49.08
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562156	1	44	-1.0	-69.94	367.59	1.69	-68.25
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007562157	0	35	-1.0	-55.58	323.96	3.07	-52.51
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007562158	0	38	-1.0	-57.33	316.87	7.89	-49.44
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=C1F	REAL300007562159	0	36	-1.0	-59.96	300.27	4.30	-55.66
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007562160	0	38	-1.0	-60.42	315.92	6.39	-54.03
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007562162	0	37	-1.0	-49.61	318.31	5.19	-44.42
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562163	0	36	-1.0	-59.39	327.18	5.22	-54.17
CC1=CC=C(CS(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1	REAL300007562164	0	35	-1.0	-66.50	305.53	6.49	-60.01
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007562166	0	29	-1.0	-57.06	289.98	4.89	-52.17
O=C([O-])C1CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007562167	0	42	-1.0	-62.35	343.79	8.34	-54.01
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCC2C(=O)[O-])=NO1	REAL300007562168	0	40	-1.0	-63.76	338.09	5.68	-58.08
O=C([O-])C1CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007562169	0	38	-1.0	-78.78	318.30	2.02	-76.76
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007562170	0	32	-1.0	-59.77	293.58	5.16	-54.61
CC1=C(CCS(=O)(=O)N2CCCC2C(=O)[O-])SC=N1	REAL300007562171	0	34	-1.0	-61.90	305.47	4.19	-57.71
COC1=CC=C2C=C(S(=O)(=O)N3CCCC3C(=O)[O-])CCC2=C1	REAL300007562172	0	41	-1.0	-60.78	339.36	6.70	-54.08
CC(C)(CCS(=O)(=O)N1CCCC1C(=O)[O-])S(C)(=O)=O	REAL300007562173	0	40	-1.0	-70.04	329.46	2.07	-67.97
O=C([O-])C1CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007562174	0	38	-1.0	-50.46	305.36	5.43	-45.03
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C12	REAL300007562175	0	44	-1.0	-57.95	378.77	8.24	-49.71
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C12	REAL300007562176	0	48	-1.0	-56.44	396.88	5.76	-50.68
CCC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007562177	0	37	-1.0	-41.12	311.26	5.88	-35.24
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007562178	0	29	-1.0	-56.00	276.67	5.62	-50.38
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007562179	0	31	-1.0	-54.20	283.61	5.66	-48.54
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007562180	0	35	-1.0	-51.20	294.84	6.33	-44.87
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007562181	0	31	-1.0	-54.64	277.01	4.72	-49.92
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562182	0	34	-1.0	-59.65	293.71	5.62	-54.03
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007562183	0	31	-1.0	-79.99	278.66	6.34	-73.65
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562184	0	36	-1.0	-63.08	323.78	6.02	-57.06
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1C	REAL300007562185	0	41	-1.0	-47.65	306.32	6.54	-41.11
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562186	0	44	-1.0	-61.65	341.73	7.28	-54.37
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007562187	0	32	-1.0	-48.69	287.89	5.07	-43.62
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007562188	0	32	-1.0	-68.28	286.20	5.99	-62.29
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007562189	0	35	-1.0	-57.43	304.34	4.79	-52.64
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562190	0	41	-1.0	-59.44	331.54	7.31	-52.13
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562191	0	46	-1.0	-60.33	392.14	4.71	-55.62
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562192	0	40	-1.0	-60.74	350.88	2.98	-57.76
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Br	REAL300007562193	0	33	-1.0	-49.42	298.69	4.02	-45.40
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007562194	0	35	-1.0	-53.44	333.10	7.00	-46.44
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1Br	REAL300007562195	0	32	-1.0	-44.77	288.32	5.23	-39.54
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2)=C1	REAL300007562196	0	43	-1.0	-57.98	365.47	8.51	-49.47
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007562197	0	33	-1.0	-56.27	301.32	4.78	-51.49
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=C1C	REAL300007562198	0	44	-1.0	-50.60	320.73	6.94	-43.66
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007562199	0	38	-1.0	-54.03	311.69	3.98	-50.05
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562200	0	45	-1.0	-65.35	357.38	6.81	-58.54
CN1C=C(Br)C2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C21	REAL300007562201	0	36	-1.0	-59.64	330.79	7.38	-52.26
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007562202	0	34	-1.0	-41.08	293.06	5.24	-35.84
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562203	0	33	-1.0	-62.25	302.50	5.11	-57.14
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562204	0	47	-1.0	-58.19	355.66	8.73	-49.46
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007562205	0	32	-1.0	-55.38	294.12	5.99	-49.39
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007562206	0	39	-1.0	-50.74	311.55	6.53	-44.21
COC1=CC=C(OC)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562207	0	37	-1.0	-65.85	310.66	3.78	-62.07
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1OC	REAL300007562208	0	37	-1.0	-50.40	307.52	3.25	-47.15
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007562209	0	37	-1.0	-60.16	309.89	7.40	-52.76
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562210	0	44	-1.0	-59.63	358.83	8.50	-51.13
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1OCC	REAL300007562211	0	43	-1.0	-51.18	351.30	5.09	-46.09
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562212	0	34	-1.0	-62.00	309.56	-0.05	-62.05
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1C	REAL300007562213	0	37	-1.0	-54.06	310.02	5.90	-48.16
CC1=CC2=CC=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=C2N=C1	REAL300007562214	0	37	-1.0	-72.83	314.30	6.31	-66.52
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007562215	0	35	-1.0	-55.43	299.39	5.10	-50.33
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562216	0	33	-1.0	-60.59	297.68	5.08	-55.51
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562217	0	34	-1.0	-50.09	303.07	-1.00	-51.09
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007562218	0	41	-1.0	-52.53	357.86	1.89	-50.64
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562219	0	37	-1.0	-62.27	323.07	6.51	-55.76
O=C([O-])C1CCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007562220	0	38	-1.0	-59.95	313.38	6.14	-53.81
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CN=C12	REAL300007562221	0	37	-1.0	-62.20	307.92	5.46	-56.74
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C	REAL300007562222	0	37	-1.0	-77.55	316.86	7.56	-69.99
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562223	0	40	-1.0	-50.15	342.53	1.99	-48.16
O=C([O-])C1CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007562224	0	41	-1.0	-48.15	335.24	3.29	-44.86
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562225	0	35	-1.0	-51.85	309.53	1.57	-50.28
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007562226	0	39	-1.0	-57.97	312.10	7.84	-50.13
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007562227	0	35	-1.0	-66.97	292.73	6.52	-60.45
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007562228	0	39	-1.0	-60.32	329.55	8.40	-51.92
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=CC=C12	REAL300007562229	0	43	-1.0	-63.49	346.16	6.36	-57.13
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007562230	0	30	-1.0	-50.23	280.08	2.61	-47.62
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562231	0	33	-1.0	-62.35	297.93	5.01	-57.34
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562232	0	44	-1.0	-59.24	345.80	7.78	-51.46
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Cl	REAL300007562233	0	32	-1.0	-44.04	284.33	5.14	-38.90
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562234	0	39	-1.0	-59.24	324.65	5.84	-53.40
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007562235	0	34	-1.0	-50.27	308.95	6.82	-43.45
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007562236	0	34	-1.0	-72.82	292.90	5.66	-67.16
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007562237	0	40	-1.0	-57.76	361.06	8.41	-49.35
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562238	0	35	-1.0	-57.55	309.16	5.23	-52.32
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300007562239	0	33	-1.0	-51.98	284.50	3.42	-48.56
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007562240	0	40	-1.0	-57.70	362.50	8.43	-49.27
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2)C=C1	REAL300007562241	0	44	-1.0	-59.28	373.56	7.13	-52.15
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C(C)C)=C1	REAL300007562242	0	56	-1.0	-47.39	408.23	9.94	-37.45
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007562243	0	45	-1.0	-63.94	360.80	7.43	-56.51
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007562244	0	32	-1.0	-63.42	311.94	6.64	-56.78
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007562245	0	39	-1.0	-64.57	321.12	5.87	-58.70
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007562246	0	45	-1.0	-52.97	368.66	1.69	-51.28
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562247	0	34	-1.0	-55.94	292.53	5.99	-49.95
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562248	0	34	-1.0	-60.82	288.18	5.45	-55.37
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562249	0	37	-1.0	-60.70	319.88	7.05	-53.65
CC(C)CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562250	0	41	-1.0	-59.83	336.53	7.68	-52.15
COCCC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562251	0	39	-1.0	-59.66	331.94	5.50	-54.16
COCCN(CCOC)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562252	0	41	-1.0	-57.72	334.21	2.26	-55.46
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562253	0	32	-1.0	-62.36	281.26	5.87	-56.49
COC1=C(C)C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C	REAL300007562254	0	39	-1.0	-58.48	328.94	5.88	-52.60
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562255	0	45	-1.0	-57.90	367.29	7.32	-50.58
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007562256	0	43	-1.0	-58.73	350.01	7.21	-51.52
CC(C)COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562257	0	42	-1.0	-58.86	348.32	6.71	-52.15
CCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562258	0	39	-1.0	-58.17	328.23	6.02	-52.15
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Cl	REAL300007562259	0	33	-1.0	-49.74	294.30	3.91	-45.83
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007562260	0	33	-1.0	-48.11	304.13	4.17	-43.94
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1OC(C)C	REAL300007562261	0	42	-1.0	-49.43	338.22	5.64	-43.79
COCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562262	0	40	-1.0	-61.76	340.34	4.49	-57.27
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562263	0	32	-1.0	-58.04	285.60	5.95	-52.09
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1C	REAL300007562264	0	37	-1.0	-46.46	294.06	6.26	-40.20
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562265	0	38	-1.0	-69.85	326.19	2.47	-67.38
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007562266	0	41	-1.0	-50.83	357.90	1.88	-48.95
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007562267	0	32	-1.0	-59.33	286.66	6.19	-53.14
COC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1F	REAL300007562268	0	33	-1.0	-45.50	284.55	3.41	-42.09
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007562269	0	39	-1.0	-54.18	323.03	7.46	-46.72
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007562270	0	32	-1.0	-60.40	312.27	6.78	-53.62
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])S2)=CS1	REAL300007562271	0	35	-1.0	-60.35	336.86	5.26	-55.09
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007562272	0	49	-1.0	-57.88	389.96	8.61	-49.27
CNC(=O)C1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CN1C	REAL300007562273	0	37	-1.0	-49.04	313.27	1.71	-47.33
COC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=C1	REAL300007562274	0	39	-1.0	-47.80	302.62	4.72	-43.08
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007562275	0	40	-1.0	-60.62	339.52	9.10	-51.52
COC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C	REAL300007562276	0	39	-1.0	-61.99	312.53	5.53	-56.46
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007562277	0	37	-1.0	-51.76	295.19	5.16	-46.60
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007562278	0	34	-1.0	-67.13	287.97	4.74	-62.39
CCN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007562279	0	34	-1.0	-47.90	298.45	4.61	-43.29
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007562280	0	36	-1.0	-59.07	326.30	5.68	-53.39
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007562281	0	43	-1.0	-60.17	366.63	8.27	-51.90
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562282	0	37	-1.0	-62.09	311.88	5.32	-56.77
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007562283	0	39	-1.0	-58.22	341.33	6.57	-51.65
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562284	0	51	-1.0	-58.88	395.12	7.94	-50.94
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562285	0	37	-1.0	-62.80	328.96	1.70	-61.10
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007562286	0	44	-1.0	-49.50	370.75	3.19	-46.31
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007562287	0	42	-1.0	-64.06	342.90	6.80	-57.26
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562288	0	39	-1.0	-66.52	323.93	6.06	-60.46
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007562289	0	34	-1.0	-62.17	297.11	4.22	-57.95
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007562290	0	36	-1.0	-60.64	315.93	6.14	-54.50
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562291	0	43	-1.0	-61.67	362.20	5.45	-56.22
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562292	0	45	-1.0	-57.94	371.22	7.58	-50.36
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007562293	0	39	-1.0	-66.04	314.85	7.30	-58.74
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007562294	0	33	-1.0	-57.21	311.71	6.45	-50.76
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007562295	0	37	-1.0	-69.57	319.90	6.20	-63.37
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007562296	0	34	-1.0	-59.97	303.60	5.17	-54.80
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=C1	REAL300007562297	0	39	-1.0	-49.40	315.97	4.90	-44.50
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007562298	0	33	-1.0	-52.66	291.11	4.37	-48.29
CSC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562299	0	33	-1.0	-58.25	295.53	6.01	-52.24
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007562300	0	35	-1.0	-62.88	318.70	6.67	-56.21
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562301	0	40	-1.0	-49.50	323.04	6.09	-43.41
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007562302	0	35	-1.0	-53.33	293.71	3.87	-49.46
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007562303	0	34	-1.0	-61.91	287.80	4.63	-57.28
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007562304	0	41	-1.0	-61.18	349.09	6.98	-54.20
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300007562305	0	35	-1.0	-42.74	303.27	5.57	-37.17
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007562306	0	35	-1.0	-55.81	326.88	5.30	-50.51
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007562307	0	38	-1.0	-53.49	313.62	5.65	-47.84
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C12	REAL300007562308	0	37	-1.0	-56.06	321.67	4.72	-51.34
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=C2O1	REAL300007562309	0	40	-1.0	-54.88	332.92	5.51	-49.37
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007562310	0	32	-1.0	-63.58	292.27	6.22	-57.36
COC1=CC(OC)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Br	REAL300007562311	0	37	-1.0	-64.11	330.20	4.88	-59.23
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007562312	0	42	-1.0	-47.73	371.10	6.08	-41.65
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007562313	0	37	-1.0	-73.74	321.44	5.35	-68.39
O=C([O-])C1CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007562314	0	32	-1.0	-62.84	307.15	6.56	-56.28
CC1CC2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C2O1	REAL300007562315	0	37	-1.0	-59.51	312.30	5.60	-53.91
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562316	0	41	-1.0	-44.80	300.08	6.95	-37.85
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562317	0	41	-1.0	-67.89	336.45	3.47	-64.42
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007562318	0	40	-1.0	-59.35	360.81	8.35	-51.00
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007562319	0	35	-1.0	-59.82	320.47	5.23	-54.59
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007562320	0	35	-1.0	-55.78	337.20	5.75	-50.03
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2)=CO1	REAL300007562321	0	38	-1.0	-64.72	331.76	4.06	-60.66
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007562322	0	32	-1.0	-46.80	285.35	2.77	-44.03
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007562323	0	37	-1.0	-50.18	302.64	4.68	-45.50
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=N2)C=C1	REAL300007562324	0	39	-1.0	-57.72	337.33	6.81	-50.91
CC1CC2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC(Cl)=C2O1	REAL300007562325	0	37	-1.0	-45.19	322.73	5.17	-40.02
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007562326	0	34	-1.0	-42.41	293.09	5.22	-37.19
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=N1	REAL300007562327	0	40	-1.0	-61.22	343.10	5.77	-55.45
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007562328	0	31	-1.0	-57.57	287.34	4.48	-53.09
CC1=CC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2C=C1	REAL300007562329	0	38	-1.0	-51.20	316.07	6.98	-44.22
O=C([O-])C1CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007562330	0	34	-1.0	-70.55	303.34	5.01	-65.54
O=C([O-])C1CCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007562331	0	35	-1.0	-60.13	317.03	7.06	-53.07
CN1CCCC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C21	REAL300007562332	0	41	-1.0	-50.30	323.09	4.60	-45.70
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007562333	0	31	-1.0	-55.57	290.85	4.31	-51.26
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562334	0	37	-1.0	-69.28	309.35	5.33	-63.95
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562335	0	37	-1.0	-44.52	306.98	5.87	-38.65
CC1=CC=C(C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007562336	0	37	-1.0	-59.78	303.17	7.36	-52.42
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007562337	0	37	-1.0	-60.35	310.06	6.14	-54.21
COC1=CC=C(CCS(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562338	0	39	-1.0	-62.08	329.80	5.84	-56.24
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300007562339	0	38	-1.0	-61.18	330.40	6.34	-54.84
COC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC(OC)=C1	REAL300007562340	0	37	-1.0	-61.85	314.34	3.60	-58.25
CC1=CC2=C(C=C1S(=O)(=O)N1CCCC1C(=O)[O-])OCO2	REAL300007562341	0	35	-1.0	-50.96	288.92	3.40	-47.56
COC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1Cl	REAL300007562342	0	33	-1.0	-45.06	294.36	3.91	-41.15
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007562343	0	37	-1.0	-61.47	300.57	5.82	-55.65
CCC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1CC	REAL300007562344	0	41	-1.0	-49.05	325.92	6.60	-42.45
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562345	0	37	-1.0	-43.51	301.42	6.10	-37.41
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562346	0	39	-1.0	-53.94	310.60	5.94	-48.00
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562347	0	30	-1.0	-55.70	272.28	2.93	-52.77
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007562348	0	35	-1.0	-52.48	292.29	5.77	-46.71
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC(C)=C1F	REAL300007562349	0	35	-1.0	-56.03	302.39	6.33	-49.70
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007562350	0	36	-1.0	-58.67	304.89	3.79	-54.88
O=C([O-])C1CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007562351	0	31	-1.0	-66.00	285.01	4.40	-61.60
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007562352	0	32	-1.0	-61.26	295.53	6.29	-54.97
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1Cl	REAL300007562353	0	32	-1.0	-44.81	284.29	5.15	-39.66
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007562354	0	35	-1.0	-71.01	303.47	5.98	-65.03
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2)=N1	REAL300007562355	0	38	-1.0	-58.32	341.60	6.46	-51.86
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007562356	0	37	-1.0	-67.64	304.31	5.85	-61.79
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007562357	0	36	-1.0	-67.25	320.46	2.86	-64.39
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007562358	0	38	-1.0	-63.70	314.64	5.02	-58.68
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007562359	0	32	-1.0	-60.81	298.63	6.29	-54.52
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562360	0	54	-1.0	-57.94	435.72	9.92	-48.02
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562361	0	39	-1.0	-63.52	345.30	6.82	-56.70
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562362	0	42	-1.0	-54.40	338.86	5.71	-48.69
COC(CS(=O)(=O)N1CCCC1C(=O)[O-])C1CCCC1	REAL300007562363	0	42	-1.0	-66.48	329.94	5.70	-60.78
COC(CS(=O)(=O)N1CCCC1C(=O)[O-])C1CCCCC1	REAL300007562364	0	45	-1.0	-66.92	344.26	6.30	-60.62
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007562365	0	43	-1.0	-52.97	366.32	7.40	-45.57
CCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(C)C	REAL300007562366	0	48	-1.0	-48.35	379.87	7.09	-41.26
CCC1=NC(S(=O)(=O)N2CCCC2C(=O)[O-])=CN1CC1CC1	REAL300007562367	0	42	-1.0	-54.25	351.72	6.01	-48.24
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007562368	0	32	-1.0	-57.98	297.14	4.20	-53.78
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007562369	0	37	-1.0	-60.58	314.33	6.49	-54.09
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007562370	0	42	-1.0	-50.43	356.07	6.43	-44.00
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562371	0	32	-1.0	-53.43	299.50	3.23	-50.20
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007562372	0	40	-1.0	-47.29	349.44	8.15	-39.14
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007562373	0	39	-1.0	-57.26	315.46	7.35	-49.91
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007562374	0	49	-1.0	-59.14	408.43	9.79	-49.35
CCC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(C)C=C1OC	REAL300007562375	0	42	-1.0	-60.33	336.70	5.74	-54.59
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007562376	0	35	-1.0	-55.15	326.58	6.87	-48.28
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC2C(=O)[O-])=N1	REAL300007562377	0	31	-1.0	-71.98	284.42	3.59	-68.39
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007562378	0	38	-1.0	-65.77	307.11	8.10	-57.67
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=N1	REAL300007562379	0	38	-1.0	-56.72	324.53	3.54	-53.18
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562380	0	33	-1.0	-59.58	285.55	4.76	-54.82
CCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(C)C	REAL300007562381	0	45	-1.0	-48.82	358.37	6.28	-42.54
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300007562382	0	41	-1.0	-43.97	327.09	6.29	-37.68
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007562383	0	48	-1.0	-64.04	381.84	9.48	-54.56
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562384	0	39	-1.0	-57.04	315.26	4.71	-52.33
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007562385	0	41	-1.0	-51.99	324.11	4.44	-47.55
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007562386	0	39	-1.0	-56.85	322.82	5.36	-51.49
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562387	0	32	-1.0	-40.81	276.79	2.96	-37.85
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562388	0	36	-1.0	-66.01	314.59	5.10	-60.91
C=CCCC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562389	0	39	-1.0	-59.88	332.58	7.77	-52.11
CCCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(C)C	REAL300007562390	0	51	-1.0	-47.35	401.78	7.88	-39.47
O=C([O-])C1CCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007562391	0	33	-1.0	-58.50	304.00	6.69	-51.81
CCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(C)(C)C	REAL300007562392	0	51	-1.0	-47.80	392.85	7.77	-40.03
CCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1CC	REAL300007562393	0	45	-1.0	-47.59	363.38	6.56	-41.03
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562394	0	35	-1.0	-44.85	289.91	5.94	-38.91
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562395	0	35	-1.0	-60.24	315.77	6.95	-53.29
O=C([O-])C1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007562396	0	33	-1.0	-49.26	298.02	5.82	-43.44
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562397	0	45	-1.0	-57.97	372.82	7.87	-50.10
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007562398	0	34	-1.0	-70.21	287.87	4.68	-65.53
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=C2)C=C1	REAL300007562399	0	44	-1.0	-58.71	384.25	8.86	-49.85
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007562400	0	39	-1.0	-49.76	318.46	4.73	-45.03
CC1(C)COC2=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=NN2C1	REAL300007562401	0	40	-1.0	-55.40	331.09	2.29	-53.11
O=C([O-])C1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007562402	0	35	-1.0	-59.51	324.26	5.60	-53.91
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(C)C	REAL300007562403	0	54	-1.0	-47.28	423.28	8.66	-38.62
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C	REAL300007562404	0	45	-1.0	-61.94	353.20	6.12	-55.82
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562405	0	39	-1.0	-64.36	324.32	5.98	-58.38
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C(C)C	REAL300007562406	0	52	-1.0	-51.72	413.85	6.51	-45.21
CC1CC2=CC=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=C2O1	REAL300007562407	0	37	-1.0	-66.23	311.52	5.36	-60.87
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCC2C(=O)[O-])S1	REAL300007562408	0	37	-1.0	-47.25	320.80	3.85	-43.40
O=C([O-])C1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007562409	0	35	-1.0	-47.69	297.83	4.92	-42.77
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562410	0	34	-1.0	-71.06	296.03	4.62	-66.44
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007562411	0	32	-1.0	-51.02	291.85	5.63	-45.39
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=C1F	REAL300007562412	0	38	-1.0	-50.23	298.57	6.09	-44.14
COC1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1OC	REAL300007562413	0	37	-1.0	-62.40	308.44	4.50	-57.90
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C2CCCC2)=N1	REAL300007562414	0	42	-1.0	-51.24	336.60	4.82	-46.42
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562415	0	41	-1.0	-57.30	333.92	5.57	-51.73
CCCCN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C)=N1	REAL300007562416	0	41	-1.0	-49.51	340.53	4.89	-44.62
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007562417	0	33	-1.0	-59.35	294.62	4.57	-54.78
CN1N=NC2=C(S(=O)(=O)N3CCCC3C(=O)[O-])C=CC=C21	REAL300007562418	0	34	-1.0	-55.34	300.04	2.69	-52.65
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1Br	REAL300007562419	0	35	-1.0	-61.89	302.57	6.68	-55.21
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007562420	0	35	-1.0	-57.30	323.59	6.13	-51.17
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C2CCC2)=N1	REAL300007562421	0	39	-1.0	-51.15	319.99	4.38	-46.77
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562422	0	47	-1.0	-63.02	363.88	8.00	-55.02
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007562423	0	35	-1.0	-48.34	319.99	5.92	-42.42
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007562424	0	39	-1.0	-57.42	329.37	5.66	-51.76
O=C([O-])C1CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007562425	0	33	-1.0	-64.68	297.12	5.81	-58.87
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007562426	0	40	-1.0	-64.99	350.25	7.47	-57.52
COC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007562427	0	38	-1.0	-57.08	311.79	5.68	-51.40
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562428	0	38	-1.0	-49.71	301.19	3.87	-45.84
CC(C)(C)N1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=N1	REAL300007562429	0	38	-1.0	-57.56	319.87	4.72	-52.84
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CN=C1C(F)(F)F	REAL300007562430	0	34	-1.0	-40.68	299.86	3.87	-36.81
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007562431	0	32	-1.0	-53.60	300.81	6.08	-47.52
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562432	0	40	-1.0	-61.89	333.38	6.08	-55.81
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007562433	0	40	-1.0	-51.94	319.80	7.19	-44.75
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007562434	0	35	-1.0	-57.60	317.74	6.02	-51.58
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562435	0	39	-1.0	-56.53	351.58	5.75	-50.78
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007562436	0	29	-1.0	-48.79	273.31	4.35	-44.44
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007562437	0	39	-1.0	-50.44	318.63	4.70	-45.74
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562438	0	38	-1.0	-50.55	313.82	3.98	-46.57
CN(C1CCCCCC1)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562439	0	43	-1.0	-62.02	327.38	5.80	-56.22
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C2CCOCC2)=N1	REAL300007562440	0	43	-1.0	-50.66	346.56	3.07	-47.59
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562441	0	35	-1.0	-51.96	302.01	5.58	-46.38
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007562442	0	33	-1.0	-50.96	288.09	3.63	-47.33
O=C([O-])C1CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007562443	0	44	-1.0	-58.53	351.24	7.64	-50.89
CC1=CC(C)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=NC=CC=C12	REAL300007562444	0	40	-1.0	-58.08	315.68	6.58	-51.50
O=C([O-])C1CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007562445	0	37	-1.0	-59.23	310.74	5.10	-54.13
CCOCC1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562446	0	39	-1.0	-50.52	325.71	4.74	-45.78
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007562447	0	32	-1.0	-52.47	312.27	6.20	-46.27
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562448	0	39	-1.0	-59.63	338.47	5.84	-53.79
O=C([O-])C1CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007562449	0	42	-1.0	-56.70	341.75	5.97	-50.73
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007562450	0	40	-1.0	-58.15	344.04	7.84	-50.31
CC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC(C)=C1Br	REAL300007562451	0	35	-1.0	-56.57	313.05	6.74	-49.83
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007562452	0	38	-1.0	-66.92	310.50	7.05	-59.87
CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007562453	0	39	-1.0	-53.41	330.54	5.49	-47.92
O=C([O-])C1CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007562454	0	33	-1.0	-58.48	308.56	6.78	-51.70
O=C([O-])C1CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007562455	0	33	-1.0	-48.78	305.07	6.02	-42.76
O=C([O-])C1CCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007562456	0	34	-1.0	-70.68	299.46	-1.10	-71.78
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007562457	0	31	-1.0	-58.85	286.31	4.38	-54.47
CC1=NC(S(=O)(=O)N2CCCC2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007562458	0	38	-1.0	-49.27	320.69	3.13	-46.14
O=C([O-])C1CCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007562459	0	46	-1.0	-65.17	333.08	7.80	-57.37
CS(=O)(=O)CCCCS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562460	0	37	-1.0	-71.63	326.69	1.77	-69.86
CC1(C)CCC(CS(=O)(=O)N2CCCC2C(=O)[O-])OC1	REAL300007562461	0	42	-1.0	-51.27	327.69	4.36	-46.91
O=C([O-])C1CCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007562462	0	33	-1.0	-64.48	303.02	4.09	-60.39
O=C([O-])C1CCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007562463	0	39	-1.0	-66.01	336.97	7.91	-58.10
O=C([O-])C1CCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007562464	0	38	-1.0	-72.36	309.93	2.44	-69.92
O=C([O-])C1CCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007562465	0	42	-1.0	-48.16	320.57	6.23	-41.93
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007562466	0	33	-1.0	-61.42	301.22	6.02	-55.40
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C21	REAL300007562467	0	51	-1.0	-50.28	378.53	8.23	-42.05
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562468	0	40	-1.0	-60.87	332.75	5.96	-54.91
COC1=CSC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1OC	REAL300007562469	0	34	-1.0	-47.78	301.96	2.94	-44.84
O=C([O-])C1CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007562470	0	41	-1.0	-59.15	315.82	5.45	-53.70
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562471	0	40	-1.0	-58.74	333.03	6.72	-52.02
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007562472	0	33	-1.0	-57.67	301.88	5.52	-52.15
COC1=CC(F)=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(F)=C1	REAL300007562473	0	33	-1.0	-48.09	284.88	3.59	-44.50
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007562474	0	33	-1.0	-49.62	291.73	3.63	-45.99
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562475	0	35	-1.0	-51.34	294.23	3.96	-47.38
CN1C=CC2=CC(S(=O)(=O)N3CCCC3C(=O)[O-])=CC=C21	REAL300007562476	0	36	-1.0	-63.30	309.09	6.76	-56.54
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007562477	0	38	-1.0	-57.63	334.23	5.47	-52.16
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562478	0	42	-1.0	-61.32	348.62	7.38	-53.94
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007562479	0	40	-1.0	-47.68	337.52	6.89	-40.79
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562480	0	35	-1.0	-75.05	297.41	6.53	-68.52
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007562481	0	30	-1.0	-47.46	296.80	3.10	-44.36
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562482	0	40	-1.0	-54.70	332.12	5.66	-49.04
CCN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C2CC2)=N1	REAL300007562483	0	39	-1.0	-62.76	328.03	5.23	-57.53
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=NSN=C2C=C1	REAL300007562484	0	33	-1.0	-58.91	286.38	3.30	-55.61
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007562485	0	35	-1.0	-47.87	311.43	6.82	-41.05
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007562486	0	39	-1.0	-58.19	346.28	8.93	-49.26
O=C([O-])C1CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007562487	0	28	-1.0	-41.12	280.26	2.20	-38.92
CCC1=CC(S(=O)(=O)N2CCCC2C(=O)[O-])=CC=C1Br	REAL300007562488	0	35	-1.0	-45.06	307.87	5.92	-39.14
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562489	0	42	-1.0	-58.65	344.46	5.81	-52.84
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562490	0	43	-1.0	-65.74	357.78	4.99	-60.75
O=C([O-])C1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007562491	0	35	-1.0	-50.59	307.91	6.81	-43.78
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562492	0	37	-1.0	-47.80	297.30	2.02	-45.78
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007562493	0	35	-1.0	-58.65	320.19	4.82	-53.83
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007562494	0	44	-1.0	-58.72	357.26	5.37	-53.35
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562495	0	32	-1.0	-58.91	295.75	2.38	-56.53
COC1=NC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1C	REAL300007562496	0	35	-1.0	-48.51	296.15	1.35	-47.16
CC(C)CN1C=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=N1	REAL300007562497	0	38	-1.0	-57.05	318.29	5.16	-51.89
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562498	0	38	-1.0	-50.75	316.21	3.88	-46.87
O=C([O-])C1CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007562499	0	39	-1.0	-59.88	319.31	2.84	-57.04
O=C([O-])C1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007562500	0	34	-1.0	-61.04	314.11	6.66	-54.38
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])N=C1	REAL300007562501	0	40	-1.0	-65.43	329.81	5.08	-60.35
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007562502	0	36	-1.0	-55.23	308.87	5.15	-50.08
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007562503	0	31	-1.0	-64.51	285.61	3.61	-60.90
CC1=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=NN1C(C)C	REAL300007562504	0	38	-1.0	-55.74	314.06	3.70	-52.04
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007562505	0	43	-1.0	-58.23	364.19	8.56	-49.67
O=C([O-])C1CCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007562506	0	34	-1.0	-65.94	292.13	5.10	-60.84
O=C([O-])C1CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300007562507	0	32	-1.0	-58.09	288.01	4.54	-53.55
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562508	0	37	-1.0	-67.87	315.59	0.51	-67.36
COC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C(C(F)F)=C1	REAL300007562509	0	36	-1.0	-49.09	305.12	4.51	-44.58
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562510	0	35	-1.0	-58.04	318.13	2.87	-55.17
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007562511	0	34	-1.0	-59.43	285.94	5.19	-54.24
CCOC1=CC=CN=C1S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562512	0	35	-1.0	-71.69	302.27	4.01	-67.68
CC1=CC=C(S(=O)(=O)N2CCCC2C(=O)[O-])C2=NC=CC=C12	REAL300007562513	0	37	-1.0	-72.50	310.69	6.20	-66.30
O=C([O-])C1CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007562514	0	31	-1.0	-62.63	285.70	3.69	-58.94
O=C([O-])C1CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007562515	0	36	-1.0	-58.37	324.46	5.82	-52.55
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562516	0	42	-1.0	-66.89	342.40	6.70	-60.19
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562517	0	33	-1.0	-55.99	295.76	3.03	-52.96
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562518	0	29	-1.0	-45.04	281.53	4.59	-40.45
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1	REAL300007562519	0	33	-1.0	-49.89	306.47	3.49	-46.40
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562520	0	33	-1.0	-46.29	314.51	4.18	-42.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CO2)=C1C	REAL300007562521	0	35	-1.0	-56.96	306.98	4.65	-52.31
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CO2)=C1	REAL300007562522	0	36	-1.0	-55.08	330.46	2.91	-52.17
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562523	0	32	-1.0	-43.46	303.39	5.09	-38.37
O=C([O-])C1=C(S(=O)(=O)NCC2=CC=CO2)C2=CC=CC=C2S1	REAL300007562524	0	32	-1.0	-52.89	302.92	5.53	-47.36
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CC=CO2)C=C1[N+](=O)[O-]	REAL300007562525	0	34	-1.0	-42.96	313.69	4.24	-38.72
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2=CC=CO2)=C1	REAL300007562526	0	29	-1.0	-48.71	292.13	3.71	-45.00
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCC2=CC=CO2)=C1	REAL300007562527	0	29	-1.0	-48.62	296.70	3.82	-44.80
COC1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300007562528	0	33	-1.0	-58.44	302.69	3.27	-55.17
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NCC3=CC=CO3)C=CC=C12	REAL300007562529	0	34	-1.0	-53.40	308.14	3.63	-49.77
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CO2)=C1	REAL300007562530	0	36	-1.0	-55.08	330.46	2.91	-52.17
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2=CC=CO2)=C1	REAL300007562531	0	29	-1.0	-48.71	292.13	3.71	-45.00
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562532	0	29	-1.0	-51.72	275.51	3.70	-48.02
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562533	0	32	-1.0	-50.32	303.85	4.54	-45.78
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3=CC=CO3)C=C12	REAL300007562534	0	35	-1.0	-52.56	322.35	4.54	-48.02
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562535	0	33	-1.0	-55.99	295.76	3.03	-52.96
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562536	0	33	-1.0	-46.31	309.66	3.23	-43.08
COC1=C(S(=O)(=O)NCC2=CC=CO2)SC(C(=O)[O-])=C1	REAL300007562537	0	30	-1.0	-47.73	293.62	1.49	-46.24
CC1=C(Br)C=C(S(=O)(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300007562538	0	32	-1.0	-48.07	313.28	4.37	-43.70
O=C([O-])C1CC2=CC(S(=O)(=O)NCC3=CC=CO3)=CC=C2O1	REAL300007562539	0	34	-1.0	-50.62	312.22	3.87	-46.75
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1C(F)(F)F	REAL300007562540	0	32	-1.0	-48.53	305.52	4.01	-44.52
O=C([O-])C1(C2=CC=C(S(=O)(=O)NCC3=CC=CO3)C=C2)CC1	REAL300007562541	0	36	-1.0	-54.46	321.52	5.09	-49.37
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562542	0	31	-1.0	-45.45	292.92	4.75	-40.70
O=C([O-])C1=CC2=CC(S(=O)(=O)NCC3=CC=CO3)=CC=C2S1	REAL300007562543	0	32	-1.0	-52.96	313.26	4.70	-48.26
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562544	0	31	-1.0	-40.45	292.78	4.74	-35.71
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562545	0	33	-1.0	-49.10	295.82	3.03	-46.07
COC1=CC(S(=O)(=O)NCC2=CC=CO2)=CC=C1C(=O)[O-]	REAL300007562546	0	33	-1.0	-55.12	302.68	3.28	-51.84
COC1=CC=C(S(=O)(=O)NCC2=CC=CO2)C(CC(=O)[O-])=C1	REAL300007562547	0	36	-1.0	-58.79	317.14	3.75	-55.04
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1F	REAL300007562548	0	32	-1.0	-52.02	302.99	4.02	-48.00
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2=CC=CO2)=C1	REAL300007562549	0	32	-1.0	-47.62	314.45	4.21	-43.41
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1	REAL300007562550	0	38	-1.0	-51.31	328.56	4.85	-46.46
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NCC3=CC=CO3)C=CC=C12	REAL300007562551	0	35	-1.0	-51.54	311.65	5.42	-46.12
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562552	0	29	-1.0	-44.93	286.09	4.69	-40.24
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CO2)=CC=C1Cl	REAL300007562553	0	29	-1.0	-50.89	287.90	3.60	-47.29
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2=CC=CO2)=C1	REAL300007562554	0	33	-1.0	-49.58	293.99	3.40	-46.18
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CO2)=C1OC	REAL300007562555	0	41	-1.0	-51.32	364.12	4.35	-46.97
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562557	0	36	-1.0	-53.86	321.80	3.34	-50.52
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2=CC=CO2)=C1	REAL300007562558	0	26	-1.0	-46.62	275.06	1.85	-44.77
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CO2)C2=CC=CC=C12	REAL300007562559	0	35	-1.0	-51.29	311.34	5.43	-45.86
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562560	0	36	-1.0	-55.33	317.62	3.95	-51.38
COC1=CC=C(S(=O)(=O)NCC2=CC=CO2)C(C(=O)[O-])=C1	REAL300007562561	0	33	-1.0	-51.93	294.16	3.38	-48.55
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NCC3=CC=CO3)C=C2C=C1	REAL300007562562	0	35	-1.0	-53.55	321.30	5.46	-48.09
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CC=CO2)S1	REAL300007562563	0	29	-1.0	-50.46	285.48	2.89	-47.57
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC1=CC=CO1	REAL300007562564	0	35	-1.0	-53.97	310.48	6.35	-47.62
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCC2=CC=CO2)=C1	REAL300007562565	0	32	-1.0	-46.88	300.22	4.79	-42.09
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NCC1=CC=CO1)=C2	REAL300007562566	0	29	-1.0	-49.70	305.12	3.79	-45.91
O=C([O-])C1=NC(S(=O)(=O)NCC2=CC=CO2)=C2C=CC=CN12	REAL300007562567	0	32	-1.0	-65.06	301.76	1.84	-63.22
O=C([O-])C1=CN2C=NC(S(=O)(=O)NCC3=CC=CO3)=C2C=C1	REAL300007562568	0	32	-1.0	-46.64	301.35	4.55	-42.09
O=C([O-])C1=C(S(=O)(=O)NCC2=CC=CO2)C=C(Cl)S1	REAL300007562569	0	26	-1.0	-42.85	275.55	3.61	-39.24
CCOC1=CC=C(S(=O)(=O)NCC2=CC=CO2)C=C1C(=O)[O-]	REAL300007562570	0	36	-1.0	-60.33	324.53	4.18	-56.15
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3=CC=CO3)C=C2C1	REAL300007562571	0	36	-1.0	-53.61	320.85	5.09	-48.52
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NCC3=CC=CO3)C=C2C=C1	REAL300007562572	0	34	-1.0	-57.06	317.15	3.58	-53.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562573	0	34	-1.0	-58.63	304.23	4.14	-54.49
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562574	0	35	-1.0	-57.44	309.99	3.06	-54.38
CC1=CC=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300007562575	0	34	-1.0	-54.65	305.62	3.77	-50.88
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562576	0	31	-1.0	-46.43	295.63	4.64	-41.79
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2=CC=CC=N2)C=C1	REAL300007562577	0	34	-1.0	-62.66	313.40	3.95	-58.71
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2=CC=CC=N2)=C1	REAL300007562578	0	34	-1.0	-64.54	313.40	3.95	-60.59
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1	REAL300007562579	0	35	-1.0	-50.85	320.67	3.52	-47.33
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562580	0	35	-1.0	-46.74	328.60	4.21	-42.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC=N2)=C1C	REAL300007562581	0	37	-1.0	-59.65	321.20	4.67	-54.98
CC1=CC=CC(S(=O)(=O)NCC2=CC=CC=N2)=C1C(=O)[O-]	REAL300007562582	0	34	-1.0	-56.36	306.25	4.29	-52.07
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC=N2)=C1	REAL300007562583	0	38	-1.0	-55.74	344.67	2.95	-52.79
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562584	0	34	-1.0	-45.01	317.60	5.12	-39.89
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562585	0	34	-1.0	-50.21	298.82	4.01	-46.20
O=C([O-])C1=C(S(=O)(=O)NCC2=CC=CC=N2)C2=CC=CC=C2S1	REAL300007562586	0	34	-1.0	-54.51	317.13	5.56	-48.95
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1	REAL300007562587	0	34	-1.0	-51.55	311.77	4.02	-47.53
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1[N+](=O)[O-]	REAL300007562588	0	36	-1.0	-44.60	327.84	4.27	-40.33
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CC=CC=N2)=C1	REAL300007562589	0	34	-1.0	-54.54	311.77	4.01	-50.53
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2=CC=CC=N2)=C1	REAL300007562590	0	31	-1.0	-49.35	306.33	3.74	-45.61
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCC2=CC=CC=N2)=C1	REAL300007562591	0	31	-1.0	-49.27	310.89	3.85	-45.42
COC1=CC=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300007562592	0	35	-1.0	-60.71	316.88	3.30	-57.41
CC1=CC(S(=O)(=O)NCC2=CC=CC=N2)=CC=C1C(=O)[O-]	REAL300007562593	0	34	-1.0	-50.13	305.61	3.78	-46.35
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NCC3=CC=CC=N3)C=CC=C21	REAL300007562594	0	36	-1.0	-53.79	322.35	3.66	-50.13
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC=N2)=C1	REAL300007562595	0	38	-1.0	-55.74	344.67	2.95	-52.79
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2=CC=CC=N2)=C1	REAL300007562596	0	31	-1.0	-49.35	306.33	3.74	-45.61
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562597	0	31	-1.0	-51.73	290.16	3.84	-47.89
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562598	0	34	-1.0	-52.53	318.05	4.57	-47.96
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3=CC=CC=N3)C=C21	REAL300007562599	0	37	-1.0	-53.53	336.54	4.57	-48.96
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2=CC=CC=N2)C=C1	REAL300007562600	0	34	-1.0	-62.66	313.40	3.95	-58.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562601	0	35	-1.0	-57.44	309.99	3.06	-54.38
CC1=CC=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300007562602	0	34	-1.0	-54.65	305.62	3.77	-50.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562603	0	34	-1.0	-58.63	304.23	4.14	-54.49
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562604	0	35	-1.0	-48.27	323.86	3.27	-45.00
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CC=CC=N2)=C1	REAL300007562605	0	34	-1.0	-54.54	311.77	4.01	-50.53
COC1=C(S(=O)(=O)NCC2=CC=CC=N2)SC(C(=O)[O-])=C1	REAL300007562606	0	32	-1.0	-49.17	307.83	1.52	-47.65
CC1=C(Br)C=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300007562607	0	34	-1.0	-50.04	327.45	4.40	-45.64
O=C([O-])C1CC2=CC(S(=O)(=O)NCC3=CC=CC=N3)=CC=C2O1	REAL300007562608	0	36	-1.0	-51.52	326.42	3.90	-47.62
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1C(F)(F)F	REAL300007562609	0	34	-1.0	-49.38	319.71	4.05	-45.33
O=C([O-])C1(C2=CC=C(S(=O)(=O)NCC3=CC=CC=N3)C=C2)CC1	REAL300007562610	0	38	-1.0	-55.42	335.73	5.12	-50.30
CCC1=C(S(=O)(=O)NCC2=CC=CC=N2)C=C(C(=O)[O-])O1	REAL300007562611	0	34	-1.0	-54.88	313.94	3.16	-51.72
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562612	0	33	-1.0	-46.15	307.11	4.79	-41.36
O=C([O-])C1=CC2=CC(S(=O)(=O)NCC3=CC=CC=N3)=CC=C2S1	REAL300007562613	0	34	-1.0	-53.43	327.47	4.73	-48.70
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562614	0	33	-1.0	-42.04	307.08	4.79	-37.25
CC1=NC=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300007562615	0	33	-1.0	-48.51	301.04	1.95	-46.56
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562616	0	35	-1.0	-50.32	310.02	3.06	-47.26
COC1=CC(S(=O)(=O)NCC2=CC=CC=N2)=CC=C1C(=O)[O-]	REAL300007562617	0	35	-1.0	-55.86	316.87	3.31	-52.55
COC1=CC=C(S(=O)(=O)NCC2=CC=CC=N2)C(CC(=O)[O-])=C1	REAL300007562618	0	38	-1.0	-60.62	331.35	3.77	-56.85
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1F	REAL300007562619	0	34	-1.0	-53.56	317.19	4.06	-49.50
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2=CC=CC=N2)=C1	REAL300007562620	0	34	-1.0	-48.17	328.65	4.24	-43.93
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1	REAL300007562621	0	40	-1.0	-53.10	344.50	4.92	-48.18
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NCC3=CC=CC=N3)C=CC=C12	REAL300007562622	0	37	-1.0	-52.18	325.85	5.46	-46.72
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562623	0	31	-1.0	-46.39	300.20	4.74	-41.65
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CC=N2)=CC=C1Cl	REAL300007562624	0	31	-1.0	-52.99	302.11	3.63	-49.36
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2=CC=CC=N2)=C1	REAL300007562625	0	35	-1.0	-51.23	308.30	3.43	-47.80
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC=N2)=C1OC	REAL300007562626	0	43	-1.0	-52.95	378.31	4.37	-48.58
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562628	0	38	-1.0	-56.16	336.05	3.36	-52.80
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1=CC=CC=N1	REAL300007562629	0	34	-1.0	-59.56	303.36	4.39	-55.17
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2=CC=CC=N2)=C1	REAL300007562630	0	28	-1.0	-47.68	289.26	1.89	-45.79
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC=N2)C2=CC=CC=C12	REAL300007562631	0	37	-1.0	-52.47	325.51	5.47	-47.00
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562632	0	38	-1.0	-56.94	331.85	3.98	-52.96
COC1=CC=C(S(=O)(=O)NCC2=CC=CC=N2)C(C(=O)[O-])=C1	REAL300007562633	0	35	-1.0	-53.09	308.35	3.41	-49.68
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NCC3=CC=CC=N3)C=C2C=C1	REAL300007562634	0	37	-1.0	-54.38	335.50	5.50	-48.88
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CC=CC=N2)S1	REAL300007562635	0	31	-1.0	-51.40	299.68	2.92	-48.48
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562636	0	37	-1.0	-55.41	324.64	6.39	-49.02
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NCC2=CC=CC=N2)=C1	REAL300007562637	0	34	-1.0	-49.30	314.42	4.83	-44.47
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562638	0	34	-1.0	-60.13	301.96	4.44	-55.69
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NCC1=CC=CC=N1)=C2	REAL300007562639	0	31	-1.0	-50.56	319.33	3.82	-46.74
O=C([O-])C1=NC(S(=O)(=O)NCC2=CC=CC=N2)=C2C=CC=CN12	REAL300007562640	0	34	-1.0	-66.97	315.94	1.87	-65.10
O=C([O-])C1=CN2C=NC(S(=O)(=O)NCC3=CC=CC=N3)=C2C=C1	REAL300007562641	0	34	-1.0	-47.40	316.18	4.48	-42.92
O=C([O-])C1=C(S(=O)(=O)NCC2=CC=CC=N2)C=C(Cl)S1	REAL300007562642	0	28	-1.0	-44.20	289.76	3.64	-40.56
CC1=CC(S(=O)(=O)NCC2=CC=CC=N2)=CN=C1C(=O)[O-]	REAL300007562643	0	33	-1.0	-52.97	301.99	2.00	-50.97
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=CC=CC=N1	REAL300007562644	0	34	-1.0	-60.13	301.96	4.44	-55.69
CCOC1=CC=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1C(=O)[O-]	REAL300007562645	0	38	-1.0	-60.83	338.73	4.21	-56.62
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3=CC=CC=N3)C=C2C1	REAL300007562646	0	38	-1.0	-55.47	335.05	5.12	-50.35
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NCC3=CC=CC=N3)C=C2C=C1	REAL300007562647	0	36	-1.0	-57.35	331.35	3.63	-53.72
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007562648	0	36	-1.0	-50.38	323.07	4.42	-45.96
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007562649	0	36	-1.0	-55.11	323.11	4.41	-50.70
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007562650	0	39	-1.0	-56.23	337.72	5.32	-50.91
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007562651	0	40	-1.0	-56.77	343.50	4.24	-52.53
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007562652	0	39	-1.0	-55.43	343.18	5.05	-50.38
COC1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007562653	0	33	-1.0	-50.62	306.31	4.19	-46.43
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007562654	0	36	-1.0	-55.11	323.11	4.41	-50.70
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007562655	0	36	-1.0	-50.38	323.07	4.42	-45.96
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007562656	0	36	-1.0	-54.30	312.39	5.27	-49.03
COC1=CC=CC=C1CNS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007562657	0	34	-1.0	-53.29	311.62	2.13	-51.16
COC1=CC=CC=C1CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007562658	0	36	-1.0	-52.11	327.66	2.53	-49.58
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007562659	0	33	-1.0	-49.05	315.35	3.54	-45.51
COC1=CC=CC=C1CNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007562660	0	33	-1.0	-55.16	299.19	1.45	-53.71
COC1=CC=CC=C1CNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007562661	0	41	-1.0	-49.96	338.50	3.44	-46.52
COC1=CC=CC=C1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007562662	0	41	-1.0	-49.49	339.70	3.51	-45.98
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007562663	0	36	-1.0	-54.30	312.39	5.27	-49.03
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007562664	0	36	-1.0	-47.84	329.11	5.81	-42.03
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007562665	0	33	-1.0	-50.96	307.83	2.78	-48.18
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300007562666	0	36	-1.0	-51.61	326.06	3.25	-48.36
COC1=CC=CC=C1CNS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007562667	0	38	-1.0	-48.72	321.43	3.36	-45.36
COC1=CC=CC=C1CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007562668	0	39	-1.0	-57.97	346.88	5.14	-52.83
COC1=CC=CC=C1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007562669	0	41	-1.0	-49.49	339.70	3.51	-45.98
COC1=CC=CC=C1CNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007562670	0	39	-1.0	-59.81	346.88	5.13	-54.68
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007562671	0	33	-1.0	-50.96	307.83	2.78	-48.18
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007562672	0	40	-1.0	-49.73	354.16	4.69	-45.04
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300007562673	0	40	-1.0	-48.03	362.08	5.39	-42.64
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007562674	0	33	-1.0	-51.48	316.27	3.43	-48.05
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300007562675	0	42	-1.0	-57.55	354.68	5.85	-51.70
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300007562676	0	39	-1.0	-57.11	340.05	5.46	-51.65
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC=C2OC)=C1	REAL300007562677	0	43	-1.0	-55.92	378.15	4.12	-51.80
COC1=CC=CC=C1CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007562678	0	33	-1.0	-52.37	314.73	3.44	-48.93
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007562679	0	39	-1.0	-46.25	351.09	6.29	-39.96
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300007562680	0	39	-1.0	-51.18	332.30	5.18	-46.00
COC1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007562681	0	39	-1.0	-56.28	350.63	6.73	-49.55
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007562682	0	39	-1.0	-50.33	345.26	5.19	-45.14
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300007562683	0	41	-1.0	-44.55	361.33	5.44	-39.11
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007562684	0	33	-1.0	-50.99	308.09	2.52	-48.47
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007562685	0	39	-1.0	-53.54	345.25	5.18	-48.36
COC1=CC=CC=C1CNS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300007562686	0	36	-1.0	-53.74	327.78	3.52	-50.22
COC1=CC=CC=C1CNS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007562687	0	35	-1.0	-49.06	318.27	2.60	-46.46
COC1=CC=CC=C1CNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007562688	0	32	-1.0	-54.63	300.61	2.67	-51.96
COC1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007562689	0	32	-1.0	-62.94	298.25	1.94	-61.00
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007562690	0	35	-1.0	-57.31	309.07	3.50	-53.81
COC1=CC=CC=C1CNS(=O)(=O)CCCCCC(=O)[O-]	REAL300007562691	0	41	-1.0	-53.77	352.11	4.61	-49.16
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007562692	0	35	-1.0	-52.32	318.94	2.62	-49.70
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007562693	0	36	-1.0	-49.43	339.81	4.92	-44.51
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300007562694	0	40	-1.0	-59.61	350.38	4.47	-55.14
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300007562695	0	39	-1.0	-49.70	339.09	4.95	-44.75
COC1=CC=CC=C1CNS(=O)(=O)N(C)CCC(=O)[O-]	REAL300007562696	0	37	-1.0	-50.01	322.54	2.64	-47.37
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007562697	0	41	-1.0	-53.71	355.83	4.83	-48.88
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC=C2OC)=C1	REAL300007562698	0	43	-1.0	-55.92	378.15	4.12	-51.80
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007562699	0	36	-1.0	-49.43	339.81	4.92	-44.51
COC1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300007562700	0	36	-1.0	-53.13	323.64	5.01	-48.12
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300007562701	0	39	-1.0	-50.70	351.54	5.75	-44.95
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300007562702	0	42	-1.0	-52.46	370.02	5.75	-46.71
COC1=CC=CC=C1CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007562703	0	39	-1.0	-57.97	346.88	5.14	-52.83
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007562704	0	40	-1.0	-56.77	343.50	4.24	-52.53
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007562705	0	39	-1.0	-55.43	343.18	5.05	-50.38
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007562706	0	39	-1.0	-56.23	337.72	5.32	-50.91
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300007562707	0	40	-1.0	-47.41	357.35	4.43	-42.98
COC1=CC=CC=C1CNS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007562708	0	39	-1.0	-49.78	333.65	4.29	-45.49
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007562709	0	39	-1.0	-53.54	345.25	5.18	-48.36
COC1=C(S(=O)(=O)NCC2=CC=CC=C2OC)SC(C(=O)[O-])=C1	REAL300007562710	0	37	-1.0	-49.10	341.31	2.71	-46.39
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007562711	0	41	-1.0	-50.74	359.90	5.07	-45.67
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007562712	0	39	-1.0	-48.95	353.19	5.22	-43.73
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007562713	0	43	-1.0	-54.47	369.23	6.29	-48.18
CCC1=C(S(=O)(=O)NCC2=CC=CC=C2OC)C=C(C(=O)[O-])O1	REAL300007562714	0	39	-1.0	-53.37	347.42	4.33	-49.04
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007562715	0	38	-1.0	-48.04	340.59	5.95	-42.09
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007562716	0	39	-1.0	-52.49	360.97	5.91	-46.58
COC1=CC=CC=C1CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007562717	0	38	-1.0	-42.86	340.48	5.94	-36.92
COC1=CC=CC=C1CNS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300007562718	0	38	-1.0	-49.07	338.19	3.21	-45.86
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300007562719	0	40	-1.0	-50.23	343.51	4.24	-45.99
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007562720	0	40	-1.0	-55.52	350.36	4.48	-51.04
COC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2OC)C(CC(=O)[O-])=C1	REAL300007562721	0	43	-1.0	-59.84	364.83	4.94	-54.90
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007562722	0	39	-1.0	-52.04	350.72	5.24	-46.80
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007562723	0	39	-1.0	-48.27	362.13	5.41	-42.86
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007562724	0	45	-1.0	-51.40	376.25	6.05	-45.35
COC1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007562725	0	36	-1.0	-53.09	315.07	2.76	-50.33
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007562726	0	42	-1.0	-52.08	359.36	6.63	-45.45
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300007562727	0	36	-1.0	-52.03	325.81	3.36	-48.67
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007562728	0	36	-1.0	-52.92	335.59	4.80	-48.12
COC1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007562729	0	33	-1.0	-56.27	300.30	3.27	-53.00
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2=CC=CC=C2OC)=C1	REAL300007562730	0	40	-1.0	-52.74	341.78	4.60	-48.14
COC1=CC=CC=C1CNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007562731	0	33	-1.0	-55.16	299.19	1.45	-53.71
COC1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007562732	0	36	-1.0	-53.09	315.07	2.76	-50.33
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=C1OC	REAL300007562734	0	43	-1.0	-54.29	369.49	4.54	-49.75
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007562735	0	35	-1.0	-49.57	319.30	2.53	-47.04
COC1=CC=CC=C1CNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007562736	0	39	-1.0	-58.52	336.85	5.57	-52.95
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007562737	0	33	-1.0	-47.71	322.74	3.06	-44.65
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007562738	0	42	-1.0	-52.24	359.00	6.65	-45.59
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC=C1OC	REAL300007562739	0	43	-1.0	-56.37	365.33	5.16	-51.21
COC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2OC)C(C(=O)[O-])=C1	REAL300007562740	0	40	-1.0	-55.15	341.83	4.59	-50.56
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007562741	0	35	-1.0	-55.93	319.17	2.63	-53.30
COC1=CC=CC=C1CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007562742	0	33	-1.0	-45.71	306.56	0.67	-45.04
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007562743	0	36	-1.0	-55.24	325.94	2.08	-53.16
COC1=CC=CC=C1CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007562744	0	42	-1.0	-53.10	369.00	6.67	-46.43
COC1=CC=CC=C1CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007562745	0	39	-1.0	-54.90	330.24	4.12	-50.78
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300007562746	0	36	-1.0	-51.54	333.17	4.09	-47.45
COC1=CC=CC=C1CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007562747	0	42	-1.0	-57.59	358.12	7.56	-50.03
COC1=CC=CC=C1CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007562748	0	39	-1.0	-47.50	347.91	6.01	-41.49
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007562749	0	39	-1.0	-59.06	335.45	5.61	-53.45
COC1=CC=CC=C1CNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007562750	0	36	-1.0	-49.45	352.82	4.99	-44.46
COC1=CC=CC=C1CNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007562751	0	39	-1.0	-69.20	349.42	3.04	-66.16
COC1=CC=CC=C1CNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007562752	0	39	-1.0	-47.10	349.66	5.65	-41.45
COC1=CC=CC=C1CNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007562753	0	41	-1.0	-53.15	330.17	4.48	-48.67
COC1=CC=CC=C1CNS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007562754	0	33	-1.0	-45.71	306.56	0.67	-45.04
COC1=CC=CC=C1CNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007562755	0	38	-1.0	-59.17	322.88	3.57	-55.60
COC1=CC=CC=C1CNS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007562756	0	33	-1.0	-55.16	299.19	1.45	-53.71
COC1=CC=CC=C1CNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007562757	0	33	-1.0	-45.52	323.25	4.81	-40.71
COC1=CC=CC=C1CNS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300007562758	0	38	-1.0	-53.07	335.77	3.16	-49.91
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007562759	0	39	-1.0	-59.06	335.45	5.61	-53.45
CCOC1=CC=C(S(=O)(=O)NCC2=CC=CC=C2OC)C=C1C(=O)[O-]	REAL300007562760	0	43	-1.0	-60.08	372.21	5.38	-54.70
COC1=CC=CC=C1CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007562761	0	43	-1.0	-53.54	368.55	6.30	-47.24
COC1=CC=CC=C1CNS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007562762	0	35	-1.0	-48.46	307.94	3.49	-44.97
COC1=CC=CC=C1CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007562763	0	41	-1.0	-56.61	364.85	4.79	-51.82
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007562764	0	36	-1.0	-51.05	324.13	4.38	-46.67
COC1=CC=CC(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007562765	0	36	-1.0	-55.84	324.15	4.37	-51.47
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300007562766	0	39	-1.0	-55.64	338.78	5.28	-50.36
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300007562767	0	40	-1.0	-56.93	344.54	4.20	-52.73
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300007562768	0	39	-1.0	-55.34	340.19	4.90	-50.44
COC1=CC=CC(CNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)=C1	REAL300007562769	0	33	-1.0	-50.66	307.33	4.15	-46.51
COC1=CC=CC(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007562770	0	36	-1.0	-55.84	324.15	4.37	-51.47
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007562771	0	36	-1.0	-51.05	324.13	4.38	-46.67
COC1=CC=CC(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])=C1	REAL300007562772	0	36	-1.0	-54.22	313.50	5.24	-48.98
COC1=CC=CC(CNS(=O)(=O)C2=CNC(C(=O)[O-])=C2)=C1	REAL300007562773	0	34	-1.0	-53.92	312.67	2.09	-51.83
COC1=CC=CC(CNS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)=C1	REAL300007562774	0	36	-1.0	-52.71	328.71	2.49	-50.22
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)=C1	REAL300007562775	0	33	-1.0	-49.14	316.43	3.50	-45.64
COC1=CC=CC(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007562776	0	33	-1.0	-54.44	300.27	1.41	-53.03
COC1=CC=CC(CNS(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007562777	0	41	-1.0	-51.01	339.57	3.41	-47.60
COC1=CC=CC(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007562778	0	41	-1.0	-52.82	341.19	3.53	-49.29
COC1=CC=CC(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])=C1	REAL300007562779	0	36	-1.0	-54.22	313.50	5.24	-48.98
COC1=CC=CC(CNS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])=C1	REAL300007562780	0	36	-1.0	-47.69	330.18	5.77	-41.92
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)=C1	REAL300007562781	0	33	-1.0	-50.50	308.91	2.74	-47.76
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)=C1	REAL300007562782	0	36	-1.0	-51.90	327.15	3.21	-48.69
COC1=CC=CC(CNS(=O)(=O)N2CCCC2C(=O)[O-])=C1	REAL300007562783	0	38	-1.0	-50.45	323.70	3.21	-47.24
COC1=CC=CC(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007562784	0	39	-1.0	-59.33	347.94	5.11	-54.22
COC1=CC=CC(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007562785	0	41	-1.0	-52.82	341.19	3.53	-49.29
COC1=CC=CC(CNS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007562786	0	39	-1.0	-60.39	347.95	5.09	-55.30
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])O2)=C1	REAL300007562787	0	33	-1.0	-50.50	308.91	2.74	-47.76
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300007562788	0	40	-1.0	-50.49	355.22	4.65	-45.84
COC1=CC=CC(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2OC)=C1	REAL300007562789	0	40	-1.0	-48.85	363.16	5.34	-43.51
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)=C1	REAL300007562790	0	33	-1.0	-52.13	317.34	3.39	-48.74
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=C1	REAL300007562791	0	42	-1.0	-56.62	355.70	5.81	-50.81
COC1=CC=CC(CNS(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])=C1	REAL300007562792	0	39	-1.0	-58.38	340.81	5.42	-52.96
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC(OC)=C2)=C1	REAL300007562793	0	43	-1.0	-56.56	379.22	4.08	-52.48
COC1=CC=CC(CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)=C1	REAL300007562794	0	33	-1.0	-51.99	315.81	3.39	-48.60
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])=C1	REAL300007562795	0	39	-1.0	-46.09	352.16	6.25	-39.84
COC1=CC=CC(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=C1	REAL300007562796	0	39	-1.0	-51.97	333.91	5.03	-46.94
COC1=CC=CC(CNS(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)=C1	REAL300007562797	0	39	-1.0	-55.59	351.69	6.69	-48.90
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=C1	REAL300007562798	0	39	-1.0	-50.60	346.32	5.15	-45.45
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)=C1	REAL300007562799	0	41	-1.0	-45.39	362.40	5.40	-39.99
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CO2)=C1	REAL300007562800	0	33	-1.0	-51.42	309.16	2.48	-48.94
COC1=CC=CC(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300007562801	0	39	-1.0	-53.85	346.32	5.14	-48.71
COC1=CC=CC(CNS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300007562802	0	36	-1.0	-53.67	328.85	3.48	-50.19
COC1=CC=CC(CNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)=C1	REAL300007562803	0	35	-1.0	-49.79	319.32	2.56	-47.23
COC1=CC=CC(CNS(=O)(=O)C2=CSN=C2C(=O)[O-])=C1	REAL300007562804	0	32	-1.0	-54.88	301.66	2.63	-52.25
COC1=CC=CC(CNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)=C1	REAL300007562805	0	32	-1.0	-57.61	305.73	2.09	-55.52
COC1=CC=CC(CNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])=C1	REAL300007562806	0	35	-1.0	-57.77	310.36	3.45	-54.32
COC1=CC=CC(CNS(=O)(=O)CCCCCC(=O)[O-])=C1	REAL300007562807	0	41	-1.0	-54.69	353.18	4.57	-50.12
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)=C1	REAL300007562808	0	35	-1.0	-52.89	320.02	2.58	-50.31
COC1=CC=CC(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=C1	REAL300007562809	0	36	-1.0	-50.21	340.88	4.88	-45.33
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300007562810	0	40	-1.0	-58.82	351.45	4.44	-54.38
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=C1	REAL300007562811	0	39	-1.0	-50.27	340.16	4.91	-45.36
COC1=CC=CC(CNS(=O)(=O)N(C)CCC(=O)[O-])=C1	REAL300007562812	0	37	-1.0	-50.91	323.31	2.60	-48.31
COC1=CC=CC(CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)=C1	REAL300007562813	0	41	-1.0	-55.09	356.91	4.80	-50.29
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC(OC)=C2)=C1	REAL300007562814	0	43	-1.0	-56.56	379.22	4.08	-52.48
COC1=CC=CC(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=C1	REAL300007562815	0	36	-1.0	-50.21	340.88	4.88	-45.33
COC1=CC=CC(CNS(=O)(=O)C2=C(C(=O)[O-])SC=C2C)=C1	REAL300007562816	0	36	-1.0	-53.81	324.27	4.88	-48.93
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=C1	REAL300007562817	0	39	-1.0	-50.41	352.60	5.71	-44.70
COC1=CC=CC(CNS(=O)(=O)C2=CC=C3OC(C(=O)[O-])=C(C)C3=C2)=C1	REAL300007562818	0	42	-1.0	-53.26	371.09	5.71	-47.55
COC1=CC=CC(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007562819	0	39	-1.0	-59.33	347.94	5.11	-54.22
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)=C1	REAL300007562820	0	40	-1.0	-56.93	344.54	4.20	-52.73
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=C1	REAL300007562821	0	39	-1.0	-55.34	340.19	4.90	-50.44
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300007562822	0	39	-1.0	-55.64	338.78	5.28	-50.36
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2OC)=C1	REAL300007562823	0	40	-1.0	-46.88	358.42	4.41	-42.47
COC1=CC=CC(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)=C1	REAL300007562824	0	39	-1.0	-49.86	334.72	4.25	-45.61
COC1=CC=CC(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=C1	REAL300007562825	0	39	-1.0	-53.85	346.32	5.14	-48.71
COC1=C(S(=O)(=O)NCC2=CC(OC)=CC=C2)SC(C(=O)[O-])=C1	REAL300007562826	0	37	-1.0	-49.28	342.38	2.67	-46.61
COC1=CC=CC(CNS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)=C1	REAL300007562827	0	41	-1.0	-51.39	360.97	5.03	-46.36
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=C1	REAL300007562828	0	39	-1.0	-49.96	354.27	5.18	-44.78
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=C1	REAL300007562829	0	43	-1.0	-55.34	370.28	6.26	-49.08
CCC1=C(S(=O)(=O)NCC2=CC=CC(OC)=C2)C=C(C(=O)[O-])O1	REAL300007562830	0	39	-1.0	-53.17	348.50	4.29	-48.88
COC1=CC=CC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=C1	REAL300007562831	0	38	-1.0	-48.46	341.66	5.92	-42.54
COC1=CC=CC(CNS(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)=C1	REAL300007562832	0	39	-1.0	-53.85	362.02	5.87	-47.98
COC1=CC=CC(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=C1	REAL300007562833	0	38	-1.0	-42.84	341.54	5.90	-36.94
COC1=CC=CC(CNS(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)=C1	REAL300007562834	0	38	-1.0	-47.32	335.59	3.09	-44.23
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300007562835	0	40	-1.0	-50.47	344.58	4.20	-46.27
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300007562836	0	40	-1.0	-56.32	351.44	4.45	-51.87
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(OC)C=C2CC(=O)[O-])=C1	REAL300007562837	0	43	-1.0	-59.74	366.02	4.86	-54.88
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)=C1	REAL300007562838	0	39	-1.0	-52.42	351.74	5.19	-47.23
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300007562839	0	39	-1.0	-49.00	363.20	5.37	-43.63
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=C1	REAL300007562840	0	45	-1.0	-52.46	379.06	6.05	-46.41
COC1=CC=CC(CNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=C1	REAL300007562841	0	36	-1.0	-51.17	316.13	2.72	-48.45
COC1=CC=CC(CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)=C1	REAL300007562842	0	42	-1.0	-52.97	360.42	6.58	-46.39
COC1=CC=CC(CNS(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007562843	0	36	-1.0	-51.44	326.88	3.33	-48.11
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300007562844	0	36	-1.0	-53.78	336.66	4.76	-49.02
COC1=CC=CC(CNS(=O)(=O)C2=C(C(=O)[O-])C=CO2)=C1	REAL300007562845	0	33	-1.0	-55.84	301.37	3.23	-52.61
COC1=CC=CC(CNS(=O)(=O)C2=CC(OC)=CC=C2C(=O)[O-])=C1	REAL300007562846	0	40	-1.0	-52.44	342.85	4.56	-47.88
COC1=CC=CC(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007562847	0	33	-1.0	-54.44	300.27	1.41	-53.03
COC1=CC=CC(CNS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=C1	REAL300007562848	0	36	-1.0	-51.17	316.13	2.72	-48.45
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(OC)=C1	REAL300007562850	0	43	-1.0	-53.84	370.60	4.50	-49.34
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=C1	REAL300007562851	0	35	-1.0	-51.18	317.61	2.69	-48.49
COC1=CC=CC(CNS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])=C1	REAL300007562852	0	39	-1.0	-58.30	337.91	5.53	-52.77
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=C1	REAL300007562853	0	33	-1.0	-48.15	323.81	3.02	-45.13
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)=C1	REAL300007562854	0	42	-1.0	-52.31	360.10	6.59	-45.72
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(OC)=C1	REAL300007562855	0	43	-1.0	-56.30	366.40	5.12	-51.18
COC1=CC=CC(CNS(=O)(=O)C2=CC=C(OC)C=C2C(=O)[O-])=C1	REAL300007562856	0	40	-1.0	-55.03	342.91	4.55	-50.48
COC1=CC=CC(CNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)=C1	REAL300007562857	0	35	-1.0	-55.49	320.22	2.59	-52.90
COC1=CC=CC(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)=C1	REAL300007562858	0	33	-1.0	-45.92	307.64	0.61	-45.31
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)=C1	REAL300007562859	0	36	-1.0	-55.90	325.66	2.12	-53.78
COC1=CC=CC(CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)=C1	REAL300007562860	0	42	-1.0	-54.31	370.07	6.62	-47.69
COC1=CC=CC(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300007562861	0	39	-1.0	-56.25	331.04	4.05	-52.20
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)=C1	REAL300007562862	0	36	-1.0	-52.02	334.23	4.06	-47.96
COC1=CC=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])=C1	REAL300007562863	0	42	-1.0	-57.37	359.19	7.51	-49.86
COC1=CC=CC(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)=C1	REAL300007562864	0	39	-1.0	-47.05	348.98	5.96	-41.09
COC1=CC=CC(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])=C1	REAL300007562865	0	39	-1.0	-58.89	336.67	5.52	-53.37
COC1=CC=CC(CNS(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)=C1	REAL300007562866	0	36	-1.0	-50.42	353.88	4.96	-45.46
COC1=CC=CC(CNS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)=C1	REAL300007562867	0	39	-1.0	-69.52	350.49	3.00	-66.52
COC1=CC=CC(CNS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)=C1	REAL300007562868	0	39	-1.0	-46.95	350.72	5.61	-41.34
COC1=CC=CC(CNS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007562869	0	41	-1.0	-53.06	331.18	4.45	-48.61
COC1=CC=CC(CNS(=O)(=O)C2=NNC(C(=O)[O-])=C2)=C1	REAL300007562870	0	33	-1.0	-45.92	307.64	0.61	-45.31
COC1=CC=CC(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])=C1	REAL300007562871	0	38	-1.0	-47.32	323.69	3.21	-44.11
COC1=CC=CC(CNS(=O)(=O)C2=NNC=C2C(=O)[O-])=C1	REAL300007562872	0	33	-1.0	-54.44	300.27	1.41	-53.03
COC1=CC=CC(CNS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)=C1	REAL300007562873	0	33	-1.0	-45.45	324.32	4.78	-40.67
COC1=CC=CC(CNS(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)=C1	REAL300007562874	0	38	-1.0	-53.82	336.55	3.12	-50.70
COC1=CC=CC(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])=C1	REAL300007562875	0	39	-1.0	-58.89	336.67	5.52	-53.37
CCOC1=CC=C(S(=O)(=O)NCC2=CC=CC(OC)=C2)C=C1C(=O)[O-]	REAL300007562876	0	43	-1.0	-59.28	373.29	5.34	-53.94
COC1=CC=CC(CNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)=C1	REAL300007562877	0	43	-1.0	-53.63	369.59	6.27	-47.36
COC1=CC=CC(CNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])=C1	REAL300007562878	0	35	-1.0	-48.28	308.98	3.43	-44.85
COC1=CC=CC(CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)=C1	REAL300007562879	0	41	-1.0	-57.82	365.91	4.75	-53.07
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300007562880	0	35	-1.0	-49.89	317.07	5.82	-44.07
CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562881	0	35	-1.0	-53.63	315.09	5.76	-47.87
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=C(F)C=C1	REAL300007562882	0	38	-1.0	-55.51	330.55	6.68	-48.83
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=C(F)C=C1	REAL300007562883	0	39	-1.0	-53.36	346.72	5.66	-47.70
CC1=CC=C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300007562884	0	38	-1.0	-53.13	331.10	6.28	-46.85
CC(NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=C(F)C=C1	REAL300007562885	0	32	-1.0	-46.24	299.28	5.57	-40.67
CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562886	0	35	-1.0	-53.63	315.09	5.76	-47.87
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300007562887	0	35	-1.0	-49.89	317.07	5.82	-44.07
CC(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562888	0	35	-1.0	-49.96	307.65	6.73	-43.23
CC(NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562889	0	33	-1.0	-50.28	303.65	3.49	-46.79
CC(NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=C(F)C=C1	REAL300007562890	0	35	-1.0	-49.44	319.70	3.85	-45.59
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=C(F)C=C1	REAL300007562891	0	32	-1.0	-47.42	307.09	4.90	-42.52
CC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562892	0	32	-1.0	-51.51	292.05	2.83	-48.68
CC(NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300007562893	0	40	-1.0	-49.91	332.75	4.85	-45.06
CC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300007562894	0	40	-1.0	-47.67	335.60	4.98	-42.69
CC(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562895	0	35	-1.0	-49.96	307.65	6.73	-43.23
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562896	0	35	-1.0	-43.66	324.38	7.25	-36.41
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C(F)C=C1	REAL300007562897	0	32	-1.0	-48.89	300.85	4.20	-44.69
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)O1	REAL300007562898	0	35	-1.0	-49.65	319.08	4.65	-45.00
CC(NS(=O)(=O)N1CCCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562899	0	37	-1.0	-45.26	315.97	4.61	-40.65
CC(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300007562900	0	38	-1.0	-59.05	338.08	6.47	-52.58
CC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300007562901	0	40	-1.0	-47.67	335.60	4.98	-42.69
CC(NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562902	0	38	-1.0	-58.38	340.37	6.55	-51.83
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=C(F)C=C1	REAL300007562903	0	32	-1.0	-48.89	300.85	4.20	-44.69
CC(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300007562904	0	39	-1.0	-49.69	348.19	6.10	-43.59
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC(C)C1=CC=C(F)C=C1	REAL300007562905	0	39	-1.0	-46.92	357.87	6.83	-40.09
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=C(F)C=C1	REAL300007562906	0	32	-1.0	-50.88	310.96	4.87	-46.01
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)=C1C	REAL300007562907	0	41	-1.0	-55.79	351.55	7.22	-48.57
CC1=CC=CC(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)=C1C(=O)[O-]	REAL300007562908	0	38	-1.0	-53.53	335.91	7.01	-46.52
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)=C1	REAL300007562909	0	42	-1.0	-52.81	370.13	5.46	-47.35
CC(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562910	0	32	-1.0	-50.40	306.81	4.77	-45.63
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562911	0	38	-1.0	-42.17	346.36	7.73	-34.44
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(C)C1=CC=C(F)C=C1	REAL300007562912	0	38	-1.0	-50.57	328.49	6.55	-44.02
CC(NS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21)C1=CC=C(F)C=C1	REAL300007562913	0	38	-1.0	-52.33	345.84	8.19	-44.14
CC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300007562914	0	38	-1.0	-49.62	339.30	6.60	-43.02
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)C=C1[N+](=O)[O-]	REAL300007562915	0	40	-1.0	-42.07	353.25	6.78	-35.29
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=C(F)C=C1	REAL300007562916	0	32	-1.0	-50.21	303.33	3.98	-46.23
CC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562917	0	38	-1.0	-52.42	337.26	6.52	-45.90
CC1=C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)C=C(C(=O)[O-])O1	REAL300007562918	0	35	-1.0	-53.04	320.74	4.93	-48.11
CC(NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562919	0	34	-1.0	-47.52	310.24	3.91	-43.61
CC(NS(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562920	0	31	-1.0	-51.18	295.89	4.13	-47.05
CC(NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=C(F)C=C1	REAL300007562921	0	31	-1.0	-65.02	302.69	3.53	-61.49
CC(NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562922	0	34	-1.0	-53.20	302.38	4.85	-48.35
CC(NS(=O)(=O)CCCCCC(=O)[O-])C1=CC=C(F)C=C1	REAL300007562923	0	40	-1.0	-54.22	343.34	5.93	-48.29
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=C(F)C=C1	REAL300007562924	0	34	-1.0	-51.09	310.98	3.92	-47.17
CC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562925	0	35	-1.0	-48.05	331.74	6.25	-41.80
COC1=CC=C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300007562926	0	39	-1.0	-57.36	342.34	5.82	-51.54
CC1=CC(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300007562927	0	38	-1.0	-48.45	331.10	6.30	-42.15
CC(NS(=O)(=O)N(C)CCC(=O)[O-])C1=CC=C(F)C=C1	REAL300007562928	0	36	-1.0	-49.12	315.61	4.13	-44.99
CC(NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12)C1=CC=C(F)C=C1	REAL300007562929	0	40	-1.0	-54.46	351.22	6.28	-48.18
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)=C1	REAL300007562930	0	42	-1.0	-52.81	370.13	5.46	-47.35
CC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562931	0	35	-1.0	-48.05	331.74	6.25	-41.80
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC(C)C1=CC=C(F)C=C1	REAL300007562932	0	35	-1.0	-51.22	317.26	6.35	-44.87
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=C(F)C=C1	REAL300007562933	0	38	-1.0	-49.51	347.00	7.21	-42.30
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC(C)C3=CC=C(F)C=C3)C=C12	REAL300007562934	0	41	-1.0	-52.14	361.94	7.09	-45.05
CC(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300007562935	0	38	-1.0	-59.05	338.08	6.47	-52.58
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=C(F)C=C1	REAL300007562936	0	39	-1.0	-53.36	346.72	5.66	-47.70
CC1=CC=C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300007562937	0	38	-1.0	-53.13	331.10	6.28	-46.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=C(F)C=C1	REAL300007562938	0	38	-1.0	-55.51	330.55	6.68	-48.83
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=C(F)C=C1	REAL300007562939	0	39	-1.0	-45.73	353.21	5.86	-39.87
CC(NS(=O)(=O)CC1(CC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300007562940	0	38	-1.0	-49.34	327.24	5.74	-43.60
CC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562941	0	38	-1.0	-52.42	337.26	6.52	-45.90
COC1=C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)SC(C(=O)[O-])=C1	REAL300007562942	0	36	-1.0	-47.83	337.32	4.12	-43.71
CC(NS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1)C1=CC=C(F)C=C1	REAL300007562943	0	40	-1.0	-49.90	351.88	6.42	-43.48
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1)C1=CC=C(F)C=C1	REAL300007562944	0	38	-1.0	-48.23	345.21	6.56	-41.67
CC(NS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1)C1=CC=C(F)C=C1	REAL300007562945	0	42	-1.0	-54.68	363.26	7.70	-46.98
CCC1=C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)C=C(C(=O)[O-])O1	REAL300007562946	0	38	-1.0	-52.76	340.88	5.73	-47.03
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562947	0	37	-1.0	-44.66	336.11	7.40	-37.26
CC(NS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1)C1=CC=C(F)C=C1	REAL300007562948	0	38	-1.0	-51.57	352.92	7.25	-44.32
CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562949	0	37	-1.0	-38.96	335.81	7.40	-31.56
CC1=NC=C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300007562950	0	37	-1.0	-45.82	326.52	4.47	-41.35
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC(C)C1=CC=C(F)C=C1	REAL300007562951	0	39	-1.0	-49.07	346.80	5.66	-43.41
COC1=CC(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300007562952	0	39	-1.0	-54.34	342.33	5.83	-48.51
COC1=CC=C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)C(CC(=O)[O-])=C1	REAL300007562953	0	42	-1.0	-57.96	360.57	6.34	-51.62
CC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C1=CC=C(F)C=C1	REAL300007562954	0	38	-1.0	-49.26	342.63	6.57	-42.69
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1)C1=CC=C(F)C=C1	REAL300007562955	0	38	-1.0	-45.53	353.77	6.74	-38.79
CC(NS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300007562956	0	44	-1.0	-51.12	370.27	7.46	-43.66
CC(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=C(F)C=C1	REAL300007562957	0	35	-1.0	-49.17	305.64	3.98	-45.19
CC(NS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=CC=C(F)C=C1	REAL300007562958	0	41	-1.0	-52.31	354.67	8.09	-44.22
CC1=C(C(=O)[O-])OC(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)=C1	REAL300007562959	0	35	-1.0	-49.74	318.82	4.79	-44.95
CC(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562960	0	35	-1.0	-52.89	329.58	6.21	-46.68
CC(NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=CC=C(F)C=C1	REAL300007562961	0	32	-1.0	-58.68	299.69	4.30	-54.38
CC(NS(=O)(=O)C1(C(=O)[O-])CCC1)C1=CC=C(F)C=C1	REAL300007562962	0	35	-1.0	-42.82	293.19	4.76	-38.06
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)=C1	REAL300007562963	0	39	-1.0	-48.11	337.05	6.04	-42.07
CC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562964	0	32	-1.0	-51.51	292.05	2.83	-48.68
CC(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=C(F)C=C1	REAL300007562965	0	35	-1.0	-49.17	305.64	3.98	-45.19
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=C(F)C=C1	REAL300007562967	0	42	-1.0	-53.02	365.07	5.98	-47.04
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=C(F)C=C1	REAL300007562968	0	34	-1.0	-48.81	314.46	4.00	-44.81
CC(NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562969	0	38	-1.0	-56.90	330.37	7.00	-49.90
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=C(F)C=C1	REAL300007562970	0	32	-1.0	-46.09	315.76	4.48	-41.61
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21)C1=CC=C(F)C=C1	REAL300007562971	0	41	-1.0	-51.52	355.99	8.14	-43.38
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=C(F)C=C1	REAL300007562972	0	42	-1.0	-53.83	366.17	6.48	-47.35
COC1=CC=C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)C(C(=O)[O-])=C1	REAL300007562973	0	39	-1.0	-50.76	337.36	6.03	-44.73
CC(NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562974	0	34	-1.0	-55.83	311.15	3.99	-51.84
CC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562975	0	32	-1.0	-44.50	301.78	2.11	-42.39
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=CC=C(F)C=C1	REAL300007562976	0	35	-1.0	-53.89	315.23	3.30	-50.59
CC(NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1)C1=CC=C(F)C=C1	REAL300007562977	0	41	-1.0	-53.15	360.96	8.02	-45.13
CC(NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300007562978	0	35	-1.0	-53.95	306.62	4.98	-48.97
CC(NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300007562979	0	38	-1.0	-55.62	319.32	5.35	-50.27
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)S1	REAL300007562980	0	35	-1.0	-50.06	326.18	5.51	-44.55
CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562981	0	41	-1.0	-52.09	350.97	8.90	-43.19
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F)C1=CC=C(F)C=C1	REAL300007562982	0	38	-1.0	-45.64	339.29	7.31	-38.33
CC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=C(F)C=C1	REAL300007562983	0	38	-1.0	-56.95	331.11	7.05	-49.90
CC(NS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1=CC=C(F)C=C1	REAL300007562984	0	35	-1.0	-49.26	344.61	6.37	-42.89
CC(NS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1)C1=CC=C(F)C=C1	REAL300007562985	0	38	-1.0	-64.21	342.29	4.46	-59.75
CC(NS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1)C1=CC=C(F)C=C1	REAL300007562986	0	38	-1.0	-44.91	341.75	6.91	-38.00
CC(NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562987	0	35	-1.0	-53.74	313.31	5.16	-48.58
CC(NS(=O)(=O)N1CCCCC1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562988	0	40	-1.0	-50.76	325.23	5.92	-44.84
CC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300007562989	0	32	-1.0	-44.50	301.78	2.11	-42.39
CC(NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562990	0	37	-1.0	-57.54	314.32	5.02	-52.52
CC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562991	0	32	-1.0	-51.51	292.05	2.83	-48.68
CC(NS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1)C1=CC=C(F)C=C1	REAL300007562992	0	32	-1.0	-41.90	318.55	6.26	-35.64
CC(NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562993	0	35	-1.0	-57.75	294.08	5.44	-52.31
CC1=CC(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)=CN=C1C(=O)[O-]	REAL300007562994	0	37	-1.0	-51.99	327.71	4.50	-47.49
CC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=C(F)C=C1	REAL300007562995	0	38	-1.0	-56.95	331.11	7.05	-49.90
CCOC1=CC=C(S(=O)(=O)NC(C)C2=CC=C(F)C=C2)C=C1C(=O)[O-]	REAL300007562996	0	42	-1.0	-57.67	366.20	6.81	-50.86
CC(NS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1)C1=CC=C(F)C=C1	REAL300007562997	0	42	-1.0	-49.51	360.51	7.64	-41.87
CC(NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300007562998	0	34	-1.0	-43.71	299.91	4.80	-38.91
CC(NS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1)C1=CC=C(F)C=C1	REAL300007562999	0	40	-1.0	-56.66	356.81	6.13	-50.53
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=CC=CO1	REAL300007563000	0	35	-1.0	-60.27	302.29	5.58	-54.69
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565112	0	36	-1.0	-60.39	297.68	5.55	-54.84
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565113	0	43	-1.0	-61.77	351.97	5.86	-55.91
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007565114	0	43	-1.0	-58.79	351.54	2.76	-56.03
CC1=NC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C2C=C1	REAL300007565115	0	40	-1.0	-59.25	322.68	6.55	-52.70
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007565116	0	40	-1.0	-66.11	324.42	7.66	-58.45
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007565117	0	43	-1.0	-56.59	338.09	4.18	-52.41
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565118	0	46	-1.0	-57.90	377.28	6.64	-51.26
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565119	0	46	-1.0	-55.61	379.14	6.62	-48.99
CCCN1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565120	0	38	-1.0	-64.93	309.00	7.10	-57.83
CC(COC1CCCC1)CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565121	0	48	-1.0	-53.15	363.68	7.04	-46.11
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565122	0	39	-1.0	-52.71	329.23	6.00	-46.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007565123	0	40	-1.0	-55.17	318.20	3.33	-51.84
COC1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565124	0	36	-1.0	-54.30	311.46	5.61	-48.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007565125	0	36	-1.0	-56.12	300.19	5.73	-50.39
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007565126	0	38	-1.0	-49.29	316.18	6.43	-42.86
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565127	0	38	-1.0	-50.59	302.54	6.83	-43.76
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565128	0	38	-1.0	-52.86	315.51	7.21	-45.65
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300007565129	0	38	-1.0	-50.24	315.37	7.20	-43.04
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565130	0	41	-1.0	-53.45	313.23	7.32	-46.13
CCOC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565131	0	39	-1.0	-61.40	312.28	5.91	-55.49
COCCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007565132	0	39	-1.0	-49.80	320.74	3.26	-46.54
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007565133	0	39	-1.0	-54.87	324.00	6.25	-48.62
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007565134	0	59	-1.0	-53.07	447.65	10.39	-42.68
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007565135	0	40	-1.0	-51.01	336.40	7.88	-43.13
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007565136	0	37	-1.0	-54.75	303.52	6.14	-48.61
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007565137	0	35	-1.0	-54.90	307.92	7.02	-47.88
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300007565138	0	35	-1.0	-52.75	303.35	6.95	-45.80
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007565139	0	39	-1.0	-64.00	325.34	3.56	-60.44
CC1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565140	0	35	-1.0	-54.56	303.38	6.95	-47.61
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565141	0	35	-1.0	-50.83	281.29	6.31	-44.52
COCC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565142	0	39	-1.0	-54.31	305.13	5.52	-48.79
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300007565143	0	36	-1.0	-50.27	309.81	5.64	-44.63
COC1=CC(OC)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007565144	0	40	-1.0	-58.57	329.48	5.27	-53.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007565145	0	35	-1.0	-60.07	304.89	4.70	-55.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007565146	0	35	-1.0	-50.58	300.07	4.50	-46.08
CC1(C)CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300007565147	0	43	-1.0	-54.96	338.12	6.94	-48.02
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007565148	0	35	-1.0	-47.85	299.21	4.64	-43.21
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565149	0	44	-1.0	-58.73	363.31	4.93	-53.80
CSC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565150	0	36	-1.0	-58.26	294.27	6.39	-51.87
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007565151	0	40	-1.0	-56.89	339.23	2.49	-54.40
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565152	0	43	-1.0	-74.50	342.87	5.11	-69.39
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007565153	0	43	-1.0	-55.85	360.70	3.38	-52.47
CCC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565154	0	41	-1.0	-54.70	329.51	7.85	-46.85
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CS1	REAL300007565155	0	35	-1.0	-52.77	298.35	6.29	-46.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007565156	0	47	-1.0	-60.17	374.40	6.12	-54.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007565157	0	44	-1.0	-64.02	351.00	5.00	-59.02
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565158	0	41	-1.0	-66.57	343.11	4.13	-62.44
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565159	0	42	-1.0	-71.71	351.97	3.00	-68.71
CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007565160	0	41	-1.0	-56.03	325.09	7.64	-48.39
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300007565161	0	39	-1.0	-49.77	332.70	6.58	-43.19
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007565162	0	46	-1.0	-60.11	368.83	8.75	-51.36
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007565163	0	36	-1.0	-54.78	310.55	6.18	-48.60
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565164	0	39	-1.0	-51.49	326.02	6.07	-45.42
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2S1	REAL300007565165	0	46	-1.0	-54.81	373.92	7.63	-47.18
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565166	0	39	-1.0	-59.29	330.73	6.65	-52.64
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300007565167	0	44	-1.0	-55.11	351.30	7.20	-47.91
CCS(=O)(=O)NCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565168	0	39	-1.0	-52.13	326.78	0.45	-51.68
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007565169	0	38	-1.0	-59.55	317.20	7.62	-51.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007565170	0	35	-1.0	-52.27	315.97	7.62	-44.65
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007565171	0	38	-1.0	-56.81	331.99	8.71	-48.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007565172	0	35	-1.0	-50.16	305.76	7.10	-43.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007565173	0	38	-1.0	-54.70	309.49	7.86	-46.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007565174	0	38	-1.0	-55.38	320.64	7.50	-47.88
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007565175	0	43	-1.0	-53.91	344.01	7.03	-46.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007565176	0	46	-1.0	-56.65	367.27	8.85	-47.80
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565177	0	45	-1.0	-60.27	366.17	7.24	-53.03
O=C([O-])C1CCCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007565178	0	43	-1.0	-53.34	362.86	2.76	-50.58
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007565179	0	41	-1.0	-58.36	335.47	8.83	-49.53
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1N(C)C	REAL300007565180	0	43	-1.0	-56.12	333.49	6.30	-49.82
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007565181	0	38	-1.0	-53.16	322.80	7.59	-45.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007565182	0	37	-1.0	-60.61	302.17	2.67	-57.94
O=C([O-])C1CCCCN1S(=O)(=O)CCOCC1CCCC1	REAL300007565183	0	45	-1.0	-51.44	347.60	6.15	-45.29
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007565184	0	39	-1.0	-55.95	311.12	5.42	-50.53
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565185	0	41	-1.0	-67.87	347.32	3.92	-63.95
CSC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007565186	0	36	-1.0	-49.61	316.15	7.16	-42.45
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565187	0	44	-1.0	-48.56	329.31	5.34	-43.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007565188	0	40	-1.0	-54.83	332.11	4.23	-50.60
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C12	REAL300007565189	0	39	-1.0	-54.83	321.94	3.37	-51.46
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007565190	0	43	-1.0	-48.12	354.30	5.42	-42.70
CN1N=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CN=C21	REAL300007565191	0	37	-1.0	-49.93	304.05	4.82	-45.11
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007565192	0	38	-1.0	-53.92	326.87	8.59	-45.33
CCC1=CC(CC)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(CC)=C1	REAL300007565193	0	50	-1.0	-61.22	366.82	10.53	-50.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007565194	0	39	-1.0	-67.91	307.45	6.35	-61.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007565195	0	38	-1.0	-50.59	329.33	3.74	-46.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007565196	0	41	-1.0	-59.28	323.65	9.19	-50.09
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1F	REAL300007565197	0	39	-1.0	-50.18	297.99	5.16	-45.02
CC1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CCCCC1	REAL300007565198	0	44	-1.0	-51.94	312.72	7.15	-44.79
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007565199	0	41	-1.0	-56.83	320.26	6.83	-50.00
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007565201	0	40	-1.0	-53.50	329.23	6.96	-46.54
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565202	0	39	-1.0	-55.09	332.75	5.92	-49.17
CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300007565203	0	38	-1.0	-53.20	313.35	7.11	-46.09
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007565205	0	32	-1.0	-46.30	292.83	5.86	-40.44
O=C([O-])C1CCCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007565206	0	45	-1.0	-53.57	351.68	9.00	-44.57
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=NO1	REAL300007565207	0	43	-1.0	-60.72	344.74	6.42	-54.30
O=C([O-])C1CCCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007565208	0	41	-1.0	-64.29	324.27	2.88	-61.41
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007565209	0	35	-1.0	-51.14	296.43	6.14	-45.00
CC1=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])SC=N1	REAL300007565210	0	37	-1.0	-51.55	312.10	4.94	-46.61
O=C([O-])C1CCCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300007565211	0	42	-1.0	-54.27	311.66	7.08	-47.19
COC1=CC=C2C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])CCC2=C1	REAL300007565212	0	44	-1.0	-55.26	346.80	7.29	-47.97
CC(C)(CCS(=O)(=O)N1CCCCC1C(=O)[O-])S(C)(=O)=O	REAL300007565213	0	43	-1.0	-71.15	336.18	2.81	-68.34
O=C([O-])C1CCCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007565214	0	41	-1.0	-51.63	315.17	6.85	-44.78
O=C([O-])C1CCCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007565215	0	39	-1.0	-55.16	313.77	7.73	-47.43
CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007565216	0	40	-1.0	-63.30	321.89	7.35	-55.95
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007565217	0	32	-1.0	-50.53	276.37	6.23	-44.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007565218	0	32	-1.0	-50.38	280.94	6.34	-44.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007565219	0	34	-1.0	-48.15	287.87	6.38	-41.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007565220	0	38	-1.0	-57.40	305.61	7.98	-49.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007565221	0	34	-1.0	-63.24	289.16	6.37	-56.87
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565222	0	37	-1.0	-58.38	304.96	6.88	-51.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007565223	0	34	-1.0	-65.40	276.30	6.78	-58.62
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565224	0	39	-1.0	-58.12	334.44	7.03	-51.09
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565225	0	39	-1.0	-53.12	310.98	5.93	-47.19
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007565226	0	44	-1.0	-57.89	318.88	8.19	-49.70
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300007565227	0	41	-1.0	-60.54	312.06	7.97	-52.57
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565228	0	47	-1.0	-54.46	352.86	8.55	-45.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007565229	0	35	-1.0	-48.63	299.56	6.72	-41.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007565230	0	35	-1.0	-56.68	282.96	6.72	-49.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007565231	0	32	-1.0	-49.86	277.24	6.22	-43.64
CC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565232	0	37	-1.0	-59.89	300.86	6.12	-53.77
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007565233	0	38	-1.0	-47.41	316.44	6.43	-40.98
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565234	0	44	-1.0	-54.98	335.94	8.03	-46.95
CC(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565235	0	41	-1.0	-55.02	319.88	7.64	-47.38
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565236	0	43	-1.0	-56.29	355.25	3.71	-52.58
CCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565237	0	41	-1.0	-55.00	324.03	7.93	-47.07
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300007565238	0	36	-1.0	-50.03	310.85	5.66	-44.37
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300007565239	0	35	-1.0	-51.57	300.43	6.87	-44.70
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=C1	REAL300007565240	0	46	-1.0	-53.58	370.58	9.26	-44.32
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007565241	0	36	-1.0	-51.15	305.63	5.50	-45.65
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1C	REAL300007565242	0	47	-1.0	-62.17	338.14	8.87	-53.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007565243	0	41	-1.0	-52.99	323.77	5.64	-47.35
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565244	0	48	-1.0	-61.57	367.43	7.78	-53.79
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007565245	0	37	-1.0	-63.97	304.67	6.88	-57.09
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565246	0	36	-1.0	-58.33	312.58	6.11	-52.22
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565247	0	50	-1.0	-60.17	368.01	9.68	-50.49
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007565248	0	35	-1.0	-49.56	298.38	6.71	-42.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007565249	0	42	-1.0	-56.17	323.40	8.18	-47.99
COC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565250	0	40	-1.0	-64.16	320.74	4.78	-59.38
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300007565251	0	40	-1.0	-53.77	319.67	4.89	-48.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007565252	0	39	-1.0	-58.02	306.20	7.59	-50.43
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007565253	0	40	-1.0	-56.57	317.30	8.00	-48.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007565254	0	37	-1.0	-55.26	295.70	5.56	-49.70
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565255	0	47	-1.0	-54.86	363.10	9.22	-45.64
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OCC	REAL300007565256	0	46	-1.0	-53.43	363.10	6.72	-46.71
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565257	0	37	-1.0	-57.17	313.83	0.67	-56.50
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007565258	0	40	-1.0	-62.45	309.50	7.08	-55.37
CC1=CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2N=C1	REAL300007565259	0	40	-1.0	-60.59	316.98	7.23	-53.36
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007565260	0	38	-1.0	-62.73	305.86	6.12	-56.61
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565261	0	36	-1.0	-54.06	308.41	6.00	-48.06
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565262	0	37	-1.0	-55.40	315.13	0.65	-54.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007565263	0	44	-1.0	-54.45	369.69	3.53	-50.92
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CN=C12	REAL300007565264	0	40	-1.0	-55.77	308.06	6.31	-49.46
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007565265	0	40	-1.0	-66.72	313.72	8.07	-58.65
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565266	0	43	-1.0	-56.06	355.70	3.73	-52.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007565267	0	44	-1.0	-52.66	346.18	4.93	-47.73
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565268	0	38	-1.0	-66.60	321.64	3.23	-63.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007565269	0	42	-1.0	-60.14	327.53	9.25	-50.89
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007565270	0	38	-1.0	-57.27	292.90	7.37	-49.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007565271	0	42	-1.0	-56.37	333.80	9.12	-47.25
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565272	0	35	-1.0	-54.21	283.14	6.28	-47.93
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C12	REAL300007565273	0	46	-1.0	-55.78	346.35	7.22	-48.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007565274	0	33	-1.0	-52.24	283.62	3.95	-48.29
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565275	0	36	-1.0	-58.60	308.01	6.00	-52.60
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565276	0	47	-1.0	-54.86	350.07	8.50	-46.36
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007565277	0	35	-1.0	-55.97	296.13	6.77	-49.20
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565278	0	42	-1.0	-55.50	330.11	6.62	-48.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007565279	0	33	-1.0	-45.17	276.93	4.07	-41.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007565280	0	37	-1.0	-57.02	315.45	7.83	-49.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007565281	0	37	-1.0	-61.23	295.63	6.58	-54.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007565282	0	43	-1.0	-56.67	366.22	9.17	-47.50
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565283	0	38	-1.0	-49.39	312.28	6.06	-43.33
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007565284	0	36	-1.0	-49.56	296.66	5.06	-44.50
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007565285	0	35	-1.0	-58.10	287.38	6.40	-51.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007565286	0	43	-1.0	-52.26	365.25	9.10	-43.16
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)C=C1	REAL300007565287	0	47	-1.0	-54.26	378.02	7.87	-46.39
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(C)C)=C1	REAL300007565288	0	59	-1.0	-60.97	427.52	11.85	-49.12
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007565289	0	48	-1.0	-56.95	362.33	8.34	-48.61
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007565290	0	35	-1.0	-48.08	318.55	7.38	-40.70
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007565291	0	42	-1.0	-57.24	320.75	6.69	-50.55
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565292	0	37	-1.0	-49.08	291.70	6.48	-42.60
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565293	0	37	-1.0	-46.63	286.31	6.32	-40.31
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565294	0	40	-1.0	-50.69	317.46	7.79	-42.90
CC(C)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565295	0	44	-1.0	-55.21	340.79	8.40	-46.81
COCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565296	0	42	-1.0	-54.66	336.21	6.22	-48.44
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565297	0	35	-1.0	-52.10	293.47	6.72	-45.38
COC1=C(C)C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007565298	0	42	-1.0	-54.79	334.25	6.57	-48.22
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565299	0	48	-1.0	-54.11	371.54	8.04	-46.07
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007565300	0	46	-1.0	-54.93	354.97	7.96	-46.97
CC(C)COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565301	0	45	-1.0	-54.55	352.58	7.43	-47.12
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565302	0	42	-1.0	-52.93	332.48	6.74	-46.19
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007565303	0	36	-1.0	-49.97	306.46	5.55	-44.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007565304	0	36	-1.0	-52.96	316.22	5.82	-47.14
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007565305	0	39	-1.0	-54.37	310.48	5.74	-48.63
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1OC(C)C	REAL300007565306	0	45	-1.0	-54.53	350.49	7.30	-47.23
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300007565307	0	39	-1.0	-54.72	293.23	5.16	-49.56
COCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565308	0	43	-1.0	-57.61	344.60	5.21	-52.40
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300007565309	0	35	-1.0	-53.41	291.94	6.43	-46.98
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565310	0	35	-1.0	-51.74	285.05	6.48	-45.26
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007565311	0	40	-1.0	-47.81	299.79	7.48	-40.33
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565312	0	41	-1.0	-66.18	337.44	3.72	-62.46
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007565313	0	44	-1.0	-56.53	368.64	3.56	-52.97
CC1=NC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007565314	0	34	-1.0	-53.45	286.92	3.89	-49.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007565315	0	35	-1.0	-55.63	296.66	7.00	-48.63
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300007565316	0	36	-1.0	-50.75	295.61	5.04	-45.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007565317	0	42	-1.0	-55.59	335.12	9.11	-46.48
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007565318	0	35	-1.0	-49.86	320.13	7.45	-42.41
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])S2)=CS1	REAL300007565319	0	38	-1.0	-56.51	341.91	6.28	-50.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007565320	0	52	-1.0	-52.57	394.21	9.33	-43.24
CNC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1C	REAL300007565321	0	40	-1.0	-54.63	324.10	3.31	-51.32
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300007565322	0	42	-1.0	-59.83	325.24	6.87	-52.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007565323	0	43	-1.0	-57.78	344.88	9.81	-47.97
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007565324	0	42	-1.0	-53.97	326.17	6.26	-47.71
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007565325	0	40	-1.0	-58.92	309.69	6.96	-51.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007565326	0	37	-1.0	-54.65	287.60	5.55	-49.10
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007565327	0	37	-1.0	-46.66	304.37	6.01	-40.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007565328	0	39	-1.0	-51.75	330.56	6.40	-45.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007565329	0	46	-1.0	-55.80	370.88	8.99	-46.81
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565330	0	40	-1.0	-56.53	323.57	6.98	-49.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007565331	0	42	-1.0	-59.38	346.91	7.20	-52.18
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007565332	0	35	-1.0	-79.64	291.91	5.00	-74.64
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565333	0	40	-1.0	-55.31	333.01	2.41	-52.90
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007565334	0	35	-1.0	-56.38	293.04	6.48	-49.90
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007565335	0	45	-1.0	-57.01	343.08	7.65	-49.36
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565336	0	42	-1.0	-60.23	334.56	7.08	-53.15
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007565337	0	37	-1.0	-56.45	308.08	5.88	-50.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007565338	0	39	-1.0	-52.95	320.78	6.70	-46.25
CCOCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565339	0	46	-1.0	-57.61	366.45	6.17	-51.44
CCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565340	0	48	-1.0	-52.63	375.48	8.30	-44.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007565341	0	42	-1.0	-56.78	304.55	7.66	-49.12
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007565342	0	36	-1.0	-52.72	316.01	7.17	-45.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007565343	0	37	-1.0	-53.35	296.64	4.99	-48.36
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007565344	0	40	-1.0	-63.23	323.74	7.18	-56.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007565345	0	37	-1.0	-59.55	307.89	5.89	-53.66
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300007565346	0	42	-1.0	-54.40	324.82	6.43	-47.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007565347	0	36	-1.0	-55.92	293.73	5.66	-50.26
CSC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565348	0	36	-1.0	-52.76	299.83	6.73	-46.03
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007565349	0	38	-1.0	-56.10	325.35	7.40	-48.70
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N=C1C	REAL300007565350	0	38	-1.0	-66.53	307.31	6.10	-60.43
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007565351	0	38	-1.0	-56.67	295.75	5.08	-51.59
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007565352	0	37	-1.0	-54.65	287.94	5.48	-49.17
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007565353	0	44	-1.0	-57.52	354.29	7.62	-49.90
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300007565354	0	38	-1.0	-56.99	315.38	7.22	-49.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007565355	0	38	-1.0	-59.41	334.50	7.16	-52.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007565356	0	41	-1.0	-53.77	327.07	7.37	-46.40
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C12	REAL300007565357	0	40	-1.0	-55.96	326.99	5.36	-50.60
COCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565358	0	39	-1.0	-55.76	315.60	5.42	-50.34
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2O1	REAL300007565359	0	43	-1.0	-60.20	342.32	6.97	-53.23
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007565360	0	35	-1.0	-52.83	300.12	6.85	-45.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007565361	0	40	-1.0	-62.98	321.26	5.97	-57.01
O=C([O-])C1CCCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007565362	0	35	-1.0	-51.79	307.83	7.11	-44.68
CC1CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300007565363	0	40	-1.0	-55.52	316.73	6.32	-49.20
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565364	0	44	-1.0	-60.97	326.43	9.40	-51.57
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565365	0	44	-1.0	-63.15	346.36	4.30	-58.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007565366	0	43	-1.0	-53.59	365.89	9.09	-44.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007565367	0	38	-1.0	-62.97	328.10	7.09	-55.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007565368	0	38	-1.0	-59.29	344.82	7.61	-51.68
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=CO1	REAL300007565369	0	41	-1.0	-62.39	336.01	4.78	-57.61
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007565370	0	35	-1.0	-46.29	296.99	4.24	-42.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007565371	0	35	-1.0	-54.53	290.05	6.07	-48.46
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007565372	0	35	-1.0	-58.02	286.97	4.35	-53.67
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007565373	0	35	-1.0	-53.48	287.90	2.34	-51.14
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007565374	0	40	-1.0	-55.25	314.38	6.30	-48.95
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=N2)C=C1	REAL300007565375	0	42	-1.0	-58.00	342.90	7.44	-50.56
CC1CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC(Cl)=C2O1	REAL300007565376	0	40	-1.0	-50.15	334.47	6.80	-43.35
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007565377	0	37	-1.0	-49.80	305.70	6.90	-42.90
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007565378	0	43	-1.0	-56.74	348.73	6.40	-50.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007565379	0	34	-1.0	-53.82	292.74	5.16	-48.66
CN(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565380	0	40	-1.0	-57.30	311.56	6.14	-51.16
CC1=CC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2C=C1	REAL300007565381	0	41	-1.0	-57.54	326.96	8.64	-48.90
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])SC=C1	REAL300007565382	0	33	-1.0	-55.53	280.56	4.73	-50.80
CN(C)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565383	0	40	-1.0	-56.10	309.01	6.02	-50.08
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007565384	0	37	-1.0	-58.02	293.99	5.41	-52.61
O=C([O-])C1CCCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007565385	0	37	-1.0	-52.02	307.17	5.64	-46.38
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007565386	0	37	-1.0	-54.16	296.46	5.51	-48.65
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007565387	0	38	-1.0	-50.63	324.91	7.73	-42.90
CN1CCCC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300007565388	0	44	-1.0	-59.30	334.95	6.24	-53.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007565389	0	34	-1.0	-52.23	296.23	4.96	-47.27
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565390	0	40	-1.0	-61.09	313.09	6.05	-55.04
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565391	0	40	-1.0	-46.44	307.89	6.94	-39.50
CC1=CC=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007565392	0	40	-1.0	-77.37	323.65	8.62	-68.75
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007565393	0	40	-1.0	-63.20	307.76	6.97	-56.23
COC1=CC=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565394	0	42	-1.0	-52.74	337.69	6.51	-46.23
COC1=CN=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565395	0	35	-1.0	-53.99	285.29	3.13	-50.86
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007565396	0	41	-1.0	-53.51	333.26	7.32	-46.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007565397	0	39	-1.0	-55.00	308.95	7.82	-47.18
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(OC)=C1	REAL300007565398	0	40	-1.0	-58.64	318.73	4.31	-54.33
O=C([O-])C1CCCCN1S(=O)(=O)CCC1CCCCC1	REAL300007565399	0	44	-1.0	-52.08	328.91	7.37	-44.71
CC1=CC2=C(C=C1S(=O)(=O)N1CCCCC1C(=O)[O-])OCO2	REAL300007565400	0	38	-1.0	-60.14	296.82	4.89	-55.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007565401	0	35	-1.0	-57.06	287.61	5.87	-51.19
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300007565402	0	36	-1.0	-50.46	305.42	5.52	-44.94
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007565403	0	40	-1.0	-69.82	318.07	7.60	-62.22
CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1CC	REAL300007565404	0	44	-1.0	-57.16	337.97	8.25	-48.91
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565405	0	40	-1.0	-52.89	321.28	8.09	-44.80
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565406	0	42	-1.0	-53.68	315.11	6.48	-47.20
CC1=C(C)SC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565407	0	35	-1.0	-54.30	293.21	6.05	-48.25
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565408	0	33	-1.0	-50.79	275.49	3.53	-47.26
CCC1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007565409	0	34	-1.0	-48.85	290.26	4.29	-44.56
CN(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007565410	0	39	-1.0	-58.08	309.11	5.52	-52.56
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007565411	0	35	-1.0	-52.16	292.64	6.07	-46.09
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007565412	0	38	-1.0	-66.42	307.18	7.26	-59.16
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007565413	0	35	-1.0	-53.44	285.63	4.20	-49.24
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(C)=C1F	REAL300007565414	0	38	-1.0	-51.45	307.71	7.03	-44.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007565415	0	39	-1.0	-54.76	315.73	5.46	-49.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007565416	0	34	-1.0	-57.22	289.16	5.20	-52.02
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007565417	0	35	-1.0	-51.25	303.35	6.93	-44.32
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300007565418	0	35	-1.0	-51.51	296.39	6.79	-44.72
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007565419	0	38	-1.0	-71.18	309.04	6.66	-64.52
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=N1	REAL300007565420	0	41	-1.0	-53.12	345.85	7.18	-45.94
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007565421	0	40	-1.0	-59.03	304.49	6.68	-52.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007565422	0	39	-1.0	-59.43	325.81	3.55	-55.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007565423	0	41	-1.0	-53.94	316.84	5.84	-48.10
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007565424	0	35	-1.0	-49.23	300.71	6.75	-42.48
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565425	0	57	-1.0	-54.28	439.97	10.64	-43.64
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565426	0	45	-1.0	-53.32	350.78	7.37	-45.95
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCC1	REAL300007565427	0	45	-1.0	-52.14	336.59	5.93	-46.21
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCCC1	REAL300007565428	0	48	-1.0	-53.81	348.85	6.97	-46.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007565429	0	46	-1.0	-59.65	378.43	9.04	-50.61
CCOC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CC1	REAL300007565430	0	42	-1.0	-52.34	325.60	6.08	-46.26
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007565431	0	51	-1.0	-53.79	392.39	8.74	-45.05
CCC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1CC1CC1	REAL300007565432	0	45	-1.0	-66.55	360.40	8.27	-58.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007565433	0	35	-1.0	-54.24	299.90	5.09	-49.15
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007565434	0	40	-1.0	-44.71	325.07	7.78	-36.93
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565435	0	39	-1.0	-54.43	307.22	5.66	-48.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007565436	0	45	-1.0	-52.19	358.24	7.79	-44.40
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565437	0	35	-1.0	-48.52	299.26	4.01	-44.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007565438	0	43	-1.0	-53.44	361.13	9.80	-43.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007565439	0	42	-1.0	-62.46	325.30	8.89	-53.57
CCC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C)C=C1OC	REAL300007565440	0	45	-1.0	-57.11	334.64	6.60	-50.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007565441	0	38	-1.0	-49.27	330.86	7.59	-41.68
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCCC2C(=O)[O-])=N1	REAL300007565442	0	34	-1.0	-61.40	289.85	4.97	-56.43
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007565443	0	41	-1.0	-62.75	314.52	8.84	-53.91
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007565444	0	41	-1.0	-53.76	330.14	4.21	-49.55
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565445	0	36	-1.0	-49.94	287.92	5.59	-44.35
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007565446	0	48	-1.0	-53.98	370.89	7.94	-46.04
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007565447	0	44	-1.0	-57.80	338.89	7.94	-49.86
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007565448	0	51	-1.0	-54.19	388.49	10.23	-43.96
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565449	0	42	-1.0	-55.14	321.35	5.92	-49.22
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007565450	0	44	-1.0	-55.55	329.08	5.59	-49.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007565451	0	42	-1.0	-57.13	328.41	6.00	-51.13
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565452	0	35	-1.0	-54.75	288.37	4.35	-50.40
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565453	0	39	-1.0	-53.17	318.36	6.25	-46.92
C=CCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565454	0	42	-1.0	-55.24	336.84	8.49	-46.75
CCC1=NN(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565455	0	38	-1.0	-57.67	304.56	4.48	-53.19
CCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007565456	0	54	-1.0	-54.70	411.95	9.47	-45.23
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007565457	0	36	-1.0	-51.83	311.73	7.35	-44.48
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)(C)C	REAL300007565458	0	54	-1.0	-55.53	402.95	9.35	-46.18
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1CC	REAL300007565459	0	48	-1.0	-55.59	375.48	8.20	-47.39
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565460	0	38	-1.0	-56.02	309.81	7.94	-48.08
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565461	0	38	-1.0	-51.93	323.59	7.60	-44.33
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007565462	0	36	-1.0	-53.84	309.34	7.26	-46.58
CCCC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565463	0	41	-1.0	-55.19	310.66	7.90	-47.29
COC1=NC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565464	0	35	-1.0	-54.84	289.56	2.88	-51.96
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565465	0	48	-1.0	-59.64	374.79	8.60	-51.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007565466	0	37	-1.0	-53.67	287.90	5.50	-48.17
CC1=CSC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565467	0	35	-1.0	-56.93	283.06	6.42	-50.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007565468	0	39	-1.0	-51.16	310.90	5.34	-45.82
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007565469	0	39	-1.0	-52.96	305.27	5.40	-47.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007565470	0	42	-1.0	-53.13	323.70	6.37	-46.76
CC1(C)COC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=NN2C1	REAL300007565471	0	43	-1.0	-59.99	340.21	3.76	-56.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007565472	0	38	-1.0	-52.18	327.09	6.62	-45.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300007565473	0	39	-1.0	-60.33	301.21	5.68	-54.65
CCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007565474	0	57	-1.0	-53.53	435.39	10.30	-43.23
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007565475	0	48	-1.0	-56.42	348.67	6.99	-49.43
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565476	0	42	-1.0	-58.56	327.96	6.94	-51.62
CCOCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007565477	0	55	-1.0	-55.59	426.37	8.16	-47.43
CC1CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2O1	REAL300007565478	0	40	-1.0	-59.53	321.47	6.34	-53.19
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007565479	0	40	-1.0	-49.73	328.93	5.37	-44.36
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007565480	0	38	-1.0	-57.97	310.49	6.44	-51.53
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565481	0	37	-1.0	-64.53	294.13	5.19	-59.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007565482	0	33	-1.0	-45.34	275.65	4.48	-40.86
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007565483	0	35	-1.0	-55.37	299.08	7.15	-48.22
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565484	0	39	-1.0	-52.80	312.86	5.05	-47.75
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1F	REAL300007565485	0	41	-1.0	-59.80	316.77	8.00	-51.80
COC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1OC	REAL300007565486	0	40	-1.0	-62.50	317.11	5.10	-57.40
O=C([O-])C1CCCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300007565487	0	35	-1.0	-53.22	286.69	5.71	-47.51
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CCCC2)=N1	REAL300007565488	0	45	-1.0	-59.17	348.82	6.28	-52.89
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565489	0	44	-1.0	-55.17	341.11	6.43	-48.74
CCCCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=N1	REAL300007565490	0	44	-1.0	-51.16	349.77	6.25	-44.91
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CC2)=N1	REAL300007565491	0	39	-1.0	-53.78	303.04	4.85	-48.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007565492	0	36	-1.0	-53.78	298.87	5.29	-48.49
CN1N=NC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C21	REAL300007565493	0	37	-1.0	-56.91	303.78	4.02	-52.89
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300007565494	0	38	-1.0	-56.89	302.88	6.99	-49.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007565495	0	38	-1.0	-48.16	328.70	6.74	-41.42
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CCC2)=N1	REAL300007565496	0	42	-1.0	-53.95	332.39	6.01	-47.94
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565497	0	50	-1.0	-57.25	359.37	8.86	-48.39
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007565498	0	38	-1.0	-48.33	331.71	7.58	-40.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007565499	0	42	-1.0	-49.77	334.20	6.22	-43.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007565500	0	36	-1.0	-56.25	298.33	6.50	-49.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007565501	0	43	-1.0	-53.06	359.71	8.10	-44.96
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007565502	0	41	-1.0	-73.39	324.49	7.59	-65.80
CCCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565503	0	41	-1.0	-54.93	324.92	7.91	-47.02
CN1N=C2CCCC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565504	0	39	-1.0	-56.16	307.88	5.37	-50.79
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565505	0	41	-1.0	-53.09	306.01	5.32	-47.77
CC(C)(C)N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007565506	0	41	-1.0	-58.43	325.44	5.35	-53.08
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007565507	0	39	-1.0	-49.67	298.15	4.00	-45.67
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN=C1C(F)(F)F	REAL300007565508	0	37	-1.0	-51.76	310.33	5.26	-46.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007565509	0	35	-1.0	-48.67	306.14	6.77	-41.90
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565510	0	43	-1.0	-56.09	345.07	7.75	-48.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007565511	0	43	-1.0	-57.92	330.13	8.59	-49.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007565512	0	38	-1.0	-52.07	322.99	6.64	-45.43
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565513	0	42	-1.0	-51.44	355.84	6.48	-44.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007565514	0	32	-1.0	-53.55	278.85	5.65	-47.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007565515	0	39	-1.0	-54.70	309.89	7.79	-46.91
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=CS1	REAL300007565516	0	33	-1.0	-57.21	287.27	4.17	-53.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007565517	0	42	-1.0	-53.48	326.91	5.88	-47.60
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565518	0	41	-1.0	-49.42	317.78	5.24	-44.18
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CCOCC2)=N1	REAL300007565519	0	46	-1.0	-51.98	346.43	4.14	-47.84
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565520	0	38	-1.0	-58.21	314.16	7.23	-50.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007565521	0	36	-1.0	-53.77	299.75	5.29	-48.48
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007565522	0	33	-1.0	-52.43	284.06	4.12	-48.31
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C12	REAL300007565523	0	43	-1.0	-76.13	334.06	7.98	-68.15
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300007565524	0	35	-1.0	-48.74	293.66	4.35	-44.39
CCOCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565525	0	42	-1.0	-55.85	337.45	6.39	-49.46
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565526	0	42	-1.0	-54.62	340.52	6.52	-48.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007565527	0	45	-1.0	-57.06	347.33	6.59	-50.47
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007565528	0	43	-1.0	-53.62	348.75	8.57	-45.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300007565529	0	35	-1.0	-61.77	284.56	6.94	-54.83
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(C)=C1Br	REAL300007565530	0	38	-1.0	-52.16	318.38	7.43	-44.73
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007565531	0	41	-1.0	-58.63	310.61	7.90	-50.73
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007565532	0	42	-1.0	-62.07	339.68	6.79	-55.28
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007565533	0	36	-1.0	-53.13	301.35	6.86	-46.27
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007565534	0	36	-1.0	-51.68	316.30	7.45	-44.23
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007565535	0	36	-1.0	-52.58	316.23	7.42	-45.16
O=C([O-])C1CCCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007565536	0	37	-1.0	-54.92	306.76	-0.39	-55.31
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007565537	0	35	-1.0	-57.82	288.22	5.71	-52.11
O=C([O-])C1CCCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300007565538	0	38	-1.0	-50.91	299.69	6.43	-44.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007565539	0	34	-1.0	-52.96	291.53	5.07	-47.89
O=C([O-])C1CCCCN1S(=O)(=O)CCOC1CCOC1	REAL300007565540	0	40	-1.0	-50.71	317.66	2.89	-47.82
CC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007565541	0	41	-1.0	-64.65	329.80	5.37	-59.28
O=C([O-])C1CCCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007565542	0	49	-1.0	-55.00	339.87	8.53	-46.47
CC1(C)COC(CS(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300007565543	0	42	-1.0	-54.01	323.05	5.18	-48.83
O=C([O-])C1CCCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007565544	0	35	-1.0	-56.85	293.93	1.40	-55.45
CC(C)(CS(=O)(=O)N1CCCCC1C(=O)[O-])C(C)(F)F	REAL300007565545	0	40	-1.0	-52.06	301.93	6.11	-45.95
CS(=O)(=O)CCCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565546	0	40	-1.0	-61.37	333.40	2.53	-58.84
CC1(C)CCC(CS(=O)(=O)N2CCCCC2C(=O)[O-])OC1	REAL300007565547	0	45	-1.0	-52.83	337.65	5.85	-46.98
O=C([O-])C1CCCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007565548	0	42	-1.0	-52.16	333.47	8.00	-44.16
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007565549	0	36	-1.0	-60.92	309.98	4.77	-56.15
O=C([O-])C1CCCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007565550	0	42	-1.0	-51.46	344.77	8.56	-42.90
O=C([O-])C1CCCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007565551	0	41	-1.0	-58.20	315.54	3.62	-54.58
O=C([O-])C1CCCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007565552	0	45	-1.0	-52.77	330.44	7.69	-45.08
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007565553	0	36	-1.0	-52.95	304.07	7.02	-45.93
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300007565554	0	54	-1.0	-57.65	390.01	9.87	-47.78
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565555	0	43	-1.0	-53.85	339.78	6.80	-47.05
COC1=CSC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1OC	REAL300007565556	0	37	-1.0	-50.95	311.22	4.47	-46.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007565557	0	36	-1.0	-56.89	306.99	6.31	-50.58
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007565558	0	36	-1.0	-56.80	302.91	5.33	-51.47
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565559	0	38	-1.0	-55.91	300.90	5.64	-50.27
CN1C=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300007565560	0	39	-1.0	-59.44	314.62	7.46	-51.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007565561	0	41	-1.0	-53.45	339.79	6.19	-47.26
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565562	0	45	-1.0	-59.78	358.34	8.18	-51.60
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007565563	0	43	-1.0	-53.32	349.14	8.54	-44.78
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565564	0	38	-1.0	-63.23	296.81	7.16	-56.07
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007565565	0	33	-1.0	-49.09	300.38	4.43	-44.66
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565566	0	43	-1.0	-62.80	344.27	7.30	-55.50
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CC2)=N1	REAL300007565567	0	42	-1.0	-52.92	328.08	5.94	-46.98
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NSN=C2C=C1	REAL300007565568	0	36	-1.0	-55.96	284.89	5.34	-50.62
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007565569	0	38	-1.0	-54.36	322.31	8.48	-45.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007565570	0	42	-1.0	-55.76	353.20	9.71	-46.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007565571	0	31	-1.0	-59.29	289.00	4.38	-54.91
CCC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300007565572	0	38	-1.0	-51.22	319.70	7.55	-43.67
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565573	0	45	-1.0	-53.76	348.68	6.91	-46.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007565574	0	29	-1.0	-46.34	269.08	5.23	-41.11
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565575	0	46	-1.0	-61.75	367.85	6.00	-55.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007565576	0	38	-1.0	-54.36	308.83	7.90	-46.46
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565577	0	40	-1.0	-55.06	309.82	3.51	-51.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007565578	0	39	-1.0	-57.33	288.36	7.00	-50.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007565579	0	47	-1.0	-53.67	362.75	6.15	-47.52
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565580	0	35	-1.0	-51.02	298.70	3.30	-47.72
COC1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007565581	0	38	-1.0	-50.63	308.05	3.11	-47.52
CC(C)CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007565582	0	41	-1.0	-57.99	323.87	5.79	-52.20
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565583	0	41	-1.0	-52.21	316.08	4.92	-47.29
CC(C)N1N=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565584	0	38	-1.0	-52.09	303.94	4.54	-47.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007565585	0	39	-1.0	-52.54	303.28	5.71	-46.83
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007565586	0	39	-1.0	-59.00	316.83	6.36	-52.64
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=NN1C(C)C	REAL300007565587	0	41	-1.0	-61.34	326.51	5.43	-55.91
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007565588	0	46	-1.0	-54.03	369.26	9.31	-44.72
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(F)F)=C1	REAL300007565589	0	39	-1.0	-59.71	309.33	5.93	-53.78
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007565590	0	38	-1.0	-51.20	321.05	3.78	-47.42
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C12	REAL300007565591	0	40	-1.0	-62.40	313.68	7.12	-55.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007565592	0	36	-1.0	-55.17	296.45	5.70	-49.47
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007565593	0	39	-1.0	-50.43	335.09	6.70	-43.73
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007565594	0	45	-1.0	-58.08	340.63	7.45	-50.63
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CC(=O)C1=CC=CC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007565597	0	40	-1.0	-60.87	356.66	6.25	-54.62
CCCCN(C)S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565598	0	42	-1.0	-55.50	357.72	5.52	-49.98
O=C([O-])C1=CC=C(CCNS(=O)(=O)C2=CC=CS2)C=C1	REAL300007565599	0	32	-1.0	-56.68	308.11	4.87	-51.81
CCC(C)C1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007565600	0	47	-1.0	-55.98	394.86	8.46	-47.52
CC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300007565601	0	35	-1.0	-56.68	329.99	5.67	-51.01
O=C([O-])C1=CC=C(CCNS(=O)(=O)C2=CC=C(Cl)S2)C=C1	REAL300007565602	0	32	-1.0	-56.11	325.16	5.49	-50.62
COC1=CC=C(C)C=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565603	0	42	-1.0	-56.11	358.12	6.36	-49.75
CC1=CC=C(Br)C=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565604	0	38	-1.0	-57.79	352.20	7.39	-50.40
O=C([O-])C1=CC=C(CCNS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300007565605	0	39	-1.0	-57.69	353.24	6.19	-51.50
O=C([O-])C1=CC=C(CCNS(=O)(=O)N2CCOCC2)C=C1	REAL300007565606	0	38	-1.0	-56.02	324.44	2.56	-53.46
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007565607	0	41	-1.0	-64.96	376.87	3.39	-61.57
O=C([O-])C1=CC=C(CCNS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300007565608	0	39	-1.0	-55.53	362.17	5.66	-49.87
COC1=CC(C)=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300007565609	0	46	-1.0	-60.29	389.57	5.97	-54.32
CC1=CC(Cl)=CC=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565610	0	38	-1.0	-56.24	347.61	7.28	-48.96
CN1C=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300007565611	0	35	-1.0	-58.28	320.72	3.57	-54.71
CCN(CC)S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565612	0	39	-1.0	-55.23	329.39	4.60	-50.63
CN(C1CCCCC1)S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565613	0	46	-1.0	-55.01	373.30	6.31	-48.70
CC1=NN(C)C(C)=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565614	0	41	-1.0	-57.15	353.79	4.94	-52.21
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O=C([O-])C1=CC=C(CCNS(=O)(=O)C2=CC=C3OCCOC3=C2)C=C1	REAL300007565616	0	41	-1.0	-58.68	360.66	5.02	-53.66
CCC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007565617	0	41	-1.0	-56.20	359.07	7.31	-48.89
O=C([O-])C1=CC=C(CCNS(=O)(=O)C2=CC=CC=C2Br)C=C1	REAL300007565618	0	35	-1.0	-55.94	332.63	6.61	-49.33
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CC1=NNC=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565620	0	35	-1.0	-58.62	318.19	2.83	-55.79
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565621	0	40	-1.0	-65.30	349.70	8.00	-57.30
O=C([O-])C1=CC=C(CCNS(=O)(=O)CCC2=CC=CC(Cl)=C2)C=C1	REAL300007565622	0	41	-1.0	-57.89	378.17	7.88	-50.01
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565623	0	45	-1.0	-67.06	399.45	2.43	-64.63
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007565624	0	46	-1.0	-57.93	398.80	7.71	-50.22
CC1=CC(F)=CC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007565625	0	38	-1.0	-57.77	343.99	6.60	-51.17
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COCC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007565627	0	42	-1.0	-57.56	371.24	5.60	-51.96
CCOC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300007565628	0	41	-1.0	-57.01	365.21	3.49	-53.52
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CS(=O)(=O)CCCS(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565630	0	40	-1.0	-70.20	365.16	1.91	-68.29
COC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C(C)=C1C	REAL300007565631	0	45	-1.0	-57.62	376.10	6.67	-50.95
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CC1=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=NN1C	REAL300007565635	0	38	-1.0	-61.68	338.51	4.03	-57.65
CS(=O)(=O)N1CCN(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007565636	0	45	-1.0	-64.73	386.86	1.43	-63.30
CN(C1CCOCC1)S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565637	0	44	-1.0	-56.02	363.21	3.94	-52.08
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CC1=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=CC=N1	REAL300007565639	0	44	-1.0	-62.49	389.56	7.18	-55.31
CCN1N=C(C)C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300007565640	0	44	-1.0	-56.79	375.60	5.81	-50.98
CC(C)N1C=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300007565641	0	41	-1.0	-57.21	360.95	4.95	-52.26
CC(C)CN1C=NC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007565642	0	44	-1.0	-62.29	380.73	7.11	-55.18
CC(C)N1C=NC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007565643	0	41	-1.0	-62.14	361.62	6.25	-55.89
CC(C)C1=NC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=CN1	REAL300007565644	0	41	-1.0	-62.54	359.98	4.30	-58.24
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565645	0	47	-1.0	-56.92	368.67	8.36	-48.56
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007565646	0	43	-1.0	-70.03	382.64	5.28	-64.75
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COC1=CC(Cl)=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300007565648	0	43	-1.0	-57.28	376.52	5.12	-52.16
CC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=C1Br	REAL300007565649	0	38	-1.0	-57.41	355.67	7.06	-50.35
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CC(COC1CCCC1)CS(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565667	0	51	-1.0	-58.31	416.74	7.25	-51.06
COCC(C)CS(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565668	0	41	-1.0	-58.30	350.19	4.18	-54.12
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O=C([O-])C1=CC=C(CCNS(=O)(=O)CCC2CCCCC2)C=C1	REAL300007565975	0	47	-1.0	-57.14	382.22	7.54	-49.60
CC1=CC=C(CCS(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007565976	0	44	-1.0	-58.10	382.84	8.05	-50.05
CC1=CC2=C(C=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1)OCO2	REAL300007565977	0	41	-1.0	-59.65	356.88	5.44	-54.21
O=C([O-])C1=CC=C(CCNS(=O)(=O)C2=C3OC=CC3=CC=C2)C=C1	REAL300007565978	0	38	-1.0	-57.97	338.28	6.06	-51.91
COC1=CC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=CC=C1Cl	REAL300007565979	0	39	-1.0	-56.98	361.70	5.73	-51.25
O=C([O-])C1=CC=C(CCNS(=O)(=O)CCC2CCCC2)C=C1	REAL300007565980	0	44	-1.0	-57.12	365.73	6.96	-50.16
CN1C=NC2=CC(S(=O)(=O)NCCC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300007565981	0	41	-1.0	-61.64	364.44	7.21	-54.43
CC1=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C2=NC=CC=C2C=C1	REAL300007565982	0	43	-1.0	-61.14	369.81	7.62	-53.52
CC1=NC2=CC=C(S(=O)(=O)NCCC3=CC=C(C(=O)[O-])C=C3)C=C2O1	REAL300007565983	0	40	-1.0	-60.33	359.82	3.53	-56.80
CCC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=C1CC	REAL300007565984	0	47	-1.0	-56.04	393.23	8.43	-47.61
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565985	0	43	-1.0	-56.74	367.09	7.88	-48.86
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565986	0	45	-1.0	-57.25	379.73	7.62	-49.63
CC1=C(C)SC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007565987	0	38	-1.0	-56.73	349.83	6.28	-50.45
NC1=NC=C(Cl)C=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1	REAL300007565988	0	36	-1.0	-57.16	338.35	3.76	-53.40
CC1=NC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300007565989	0	34	-1.0	-56.49	324.71	3.70	-52.79
CCC1=NC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300007565990	0	37	-1.0	-56.17	346.19	4.45	-51.72
CC1=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C(N)=NO1	REAL300007565991	0	36	-1.0	-56.49	322.61	3.26	-53.23
CN(C)C1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300007565992	0	42	-1.0	-59.45	364.84	5.64	-53.81
CC1=CC(C)=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300007565993	0	38	-1.0	-56.79	345.79	6.49	-50.30
O=C([O-])C1=CC=C(CCNS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C=C1	REAL300007565994	0	41	-1.0	-57.54	346.29	7.00	-50.54
O=C([O-])C1=CC=C(CCNS(=O)(=O)C2=CC=CC3=C2OCO3)C=C1	REAL300007565995	0	38	-1.0	-58.42	336.52	4.42	-54.00
CC1=CC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2)=CC(C)=C1F	REAL300007565996	0	41	-1.0	-56.00	363.20	7.21	-48.79
O=C([O-])C1=CC=C(CCNS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C=C1	REAL300007565997	0	42	-1.0	-59.78	372.17	5.62	-54.16
O=C([O-])C1=CC=C(CCNS(=O)(=O)CCCOCC2=CC=CC=C2)C=C1	REAL300007565998	0	48	-1.0	-60.73	416.96	7.43	-53.30
O=C([O-])C1=CC=C(CCNS(=O)(=O)C2=CNC3=CC=CC(F)=C23)C=C1	REAL300007565999	0	39	-1.0	-60.19	354.57	5.92	-54.27
O=C([O-])C1=CC=C(CCNS(=O)(=O)C2=C3N=CSC3=CC=C2)C=C1	REAL300007566000	0	37	-1.0	-58.08	340.47	5.62	-52.46
COC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567062	0	35	-1.0	-44.79	308.30	3.48	-41.31
CC1=C(Br)C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007567063	0	36	-1.0	-51.08	331.65	5.28	-45.80
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567064	0	42	-1.0	-61.18	358.78	3.59	-57.59
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007567065	0	42	-1.0	-48.88	361.06	0.51	-48.37
CC(C)C(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007567066	0	49	-1.0	-52.70	353.86	5.13	-47.57
CC1=NC2=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300007567067	0	39	-1.0	-53.07	329.80	4.79	-48.28
CC(C)C(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007567068	0	39	-1.0	-67.55	332.32	5.34	-62.21
CC(C)C(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007567069	0	42	-1.0	-46.50	346.03	2.06	-44.44
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567070	0	45	-1.0	-45.81	390.35	4.65	-41.16
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567071	0	45	-1.0	-59.79	388.58	4.86	-54.93
COCCOCCOCCS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567072	0	45	-1.0	-56.59	379.28	0.85	-55.74
CC(C)C(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007567073	0	47	-1.0	-57.25	368.22	4.80	-52.45
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007567074	0	46	-1.0	-43.46	392.77	4.98	-38.48
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567075	0	38	-1.0	-41.28	334.10	3.76	-37.52
CC(C)C(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007567076	0	39	-1.0	-42.07	327.39	1.29	-40.78
COC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567077	0	35	-1.0	-51.66	317.68	3.39	-48.27
CC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007567078	0	35	-1.0	-43.95	312.75	3.67	-40.28
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300007567079	0	37	-1.0	-50.47	328.34	4.28	-46.19
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567080	0	37	-1.0	-51.60	323.22	5.17	-46.43
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567081	0	37	-1.0	-56.03	322.48	5.40	-50.63
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300007567082	0	37	-1.0	-41.00	323.24	5.02	-35.98
CC(C)C(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007567083	0	43	-1.0	-41.87	345.89	0.53	-41.34
CCOC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567084	0	38	-1.0	-53.81	318.24	3.70	-50.11
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300007567085	0	38	-1.0	-44.33	328.63	1.12	-43.21
CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007567086	0	38	-1.0	-55.62	335.30	4.06	-51.56
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1C	REAL300007567087	0	58	-1.0	-54.50	452.56	7.97	-46.53
CC(C)C(NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300007567088	0	45	-1.0	-54.30	377.91	1.40	-52.90
CC(C)C(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007567089	0	39	-1.0	-43.30	345.69	5.73	-37.57
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007567090	0	36	-1.0	-48.98	309.28	3.91	-45.07
CC(C)C(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007567091	0	34	-1.0	-42.91	317.26	4.91	-38.00
CC(C)C(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007567092	0	34	-1.0	-56.06	307.94	4.72	-51.34
CC(C)C(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007567093	0	38	-1.0	-65.36	331.52	1.33	-64.03
CC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567094	0	34	-1.0	-41.02	312.07	4.82	-36.20
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567095	0	34	-1.0	-52.16	302.60	4.86	-47.30
COCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567096	0	38	-1.0	-53.71	316.03	3.51	-50.20
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300007567097	0	35	-1.0	-50.03	316.75	3.44	-46.59
COC1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300007567098	0	39	-1.0	-45.56	342.11	3.20	-42.36
CC(C)C(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007567099	0	34	-1.0	-47.58	312.83	2.57	-45.01
CC(C)C(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007567100	0	34	-1.0	-45.85	303.80	2.36	-43.49
CC(C)C(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007567101	0	42	-1.0	-53.79	350.33	4.80	-48.99
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007567102	0	34	-1.0	-47.28	313.84	2.67	-44.61
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567103	0	42	-1.0	-68.14	354.51	2.43	-65.71
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1I	REAL300007567104	0	34	-1.0	-53.69	312.19	5.10	-48.59
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567105	0	43	-1.0	-57.80	371.23	2.65	-55.15
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567106	0	48	-1.0	-50.34	405.62	3.22	-47.12
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567107	0	35	-1.0	-46.08	309.63	4.69	-41.39
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567108	0	48	-1.0	-64.73	410.46	1.95	-62.78
CC(C)C(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007567109	0	39	-1.0	-56.44	351.76	0.32	-56.12
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300007567110	0	45	-1.0	-49.43	404.18	1.14	-48.29
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(OC)=C1	REAL300007567111	0	46	-1.0	-62.27	391.15	0.94	-61.33
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300007567112	0	45	-1.0	-57.74	394.97	2.01	-55.73
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567113	0	45	-1.0	-54.98	386.01	1.26	-53.72
CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007567114	0	42	-1.0	-66.35	348.62	3.49	-62.86
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300007567115	0	45	-1.0	-54.23	392.81	1.97	-52.26
CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007567116	0	46	-1.0	-49.04	362.87	4.29	-44.75
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300007567117	0	42	-1.0	-54.46	371.31	1.19	-53.27
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007567118	0	46	-1.0	-57.87	386.57	3.96	-53.91
CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007567119	0	43	-1.0	-55.42	359.16	3.49	-51.93
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567120	0	40	-1.0	-52.71	350.27	1.95	-50.76
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567121	0	41	-1.0	-48.72	357.29	0.85	-47.87
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Br	REAL300007567122	0	38	-1.0	-50.57	338.60	4.37	-46.20
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300007567123	0	45	-1.0	-46.79	373.90	6.51	-40.28
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007567124	0	35	-1.0	-43.75	323.08	4.13	-39.62
CC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007567125	0	37	-1.0	-53.01	347.99	1.56	-51.45
COC1=CC=C(Br)C(CS(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567126	0	38	-1.0	-57.06	340.73	4.11	-52.95
CC(C)C(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007567127	0	45	-1.0	-53.41	385.83	5.46	-47.95
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567128	0	38	-1.0	-45.11	336.05	4.53	-40.58
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007567129	0	43	-1.0	-54.66	363.53	5.04	-49.62
CCS(=O)(=O)NCCS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567130	0	38	-1.0	-60.13	330.59	-1.77	-61.90
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300007567131	0	37	-1.0	-53.62	325.88	4.84	-48.78
CC(C)C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007567132	0	34	-1.0	-43.62	324.51	5.45	-38.17
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300007567133	0	37	-1.0	-57.42	336.04	6.38	-51.04
CC(C)C(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007567134	0	34	-1.0	-52.90	325.61	5.41	-47.49
CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007567135	0	37	-1.0	-47.34	330.95	6.46	-40.88
CC(C)C(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007567136	0	37	-1.0	-55.91	328.55	5.24	-50.67
CC(C)C(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007567137	0	42	-1.0	-43.04	348.00	4.81	-38.23
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007567138	0	45	-1.0	-56.92	386.01	6.97	-49.95
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007567139	0	44	-1.0	-57.44	377.46	5.05	-52.39
CC(C)C(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007567140	0	42	-1.0	-44.67	363.39	0.47	-44.20
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300007567141	0	40	-1.0	-56.66	339.57	6.47	-50.19
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1N(C)C	REAL300007567142	0	42	-1.0	-52.79	341.47	4.12	-48.67
CC(C)C(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007567143	0	37	-1.0	-57.05	332.24	5.46	-51.59
CC(C)C(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007567144	0	36	-1.0	-44.65	289.71	0.75	-43.90
CC(C)C(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007567145	0	44	-1.0	-54.23	357.45	3.99	-50.24
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300007567146	0	38	-1.0	-56.26	329.72	4.13	-52.13
CC(C)C(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007567147	0	40	-1.0	-52.02	356.66	1.79	-50.23
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300007567148	0	35	-1.0	-50.90	322.71	4.92	-45.98
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567149	0	43	-1.0	-51.94	340.31	3.89	-48.05
CC(C)C(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007567150	0	39	-1.0	-51.63	342.12	2.06	-49.57
CCC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C12	REAL300007567151	0	38	-1.0	-46.80	334.88	1.32	-45.48
CC(C)C(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007567152	0	42	-1.0	-49.51	369.38	3.37	-46.14
CC(C)C(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007567153	0	36	-1.0	-45.74	313.24	2.64	-43.10
CC(C)C(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007567154	0	37	-1.0	-42.12	333.08	6.34	-35.78
CCC1=CC(CC)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(CC)=C1	REAL300007567155	0	49	-1.0	-52.05	366.04	8.23	-43.82
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567156	1	46	-1.0	-57.41	383.13	0.59	-56.82
CC(C)C(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007567157	0	38	-1.0	-60.61	314.22	3.90	-56.71
CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007567158	0	37	-1.0	-49.68	335.52	1.55	-48.13
CC(C)C(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007567159	0	40	-1.0	-65.76	334.29	7.21	-58.55
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1F	REAL300007567160	0	38	-1.0	-51.36	317.16	3.75	-47.61
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007567161	0	40	-1.0	-45.64	335.14	5.03	-40.61
CC(C)C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007567163	0	39	-1.0	-45.56	338.79	4.84	-40.72
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567164	0	38	-1.0	-54.19	344.67	3.77	-50.42
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300007567165	0	37	-1.0	-56.72	321.27	4.95	-51.77
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007567167	0	31	-1.0	-40.22	301.44	3.70	-36.52
CC(C)C(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007567168	0	44	-1.0	-57.44	356.15	6.73	-50.71
CC(C)C(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007567169	0	42	-1.0	-57.12	354.59	4.25	-52.87
CC(C)C(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007567170	0	40	-1.0	-66.65	328.53	0.62	-66.03
CC(C)C(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007567171	0	34	-1.0	-46.74	309.82	4.06	-42.68
CC1=C(CCS(=O)(=O)NC(C(=O)[O-])C(C)C)SC=N1	REAL300007567172	0	36	-1.0	-43.54	316.22	2.70	-40.84
COC1=CC=C2C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)CCC2=C1	REAL300007567173	0	43	-1.0	-53.80	356.08	5.27	-48.53
CC(C)C(NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007567174	0	44	-1.0	-40.76	320.80	5.43	-35.33
CC(C)C(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007567175	0	42	-1.0	-56.11	345.45	0.69	-55.42
CC(C)C(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007567176	0	40	-1.0	-54.40	320.80	4.61	-49.79
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C12	REAL300007567177	0	46	-1.0	-55.58	390.27	6.72	-48.86
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C12	REAL300007567178	0	50	-1.0	-50.78	412.44	4.28	-46.50
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007567179	0	39	-1.0	-60.13	335.23	5.37	-54.76
CC(C)C(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007567180	0	31	-1.0	-50.34	288.18	4.10	-46.24
CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007567181	0	33	-1.0	-49.98	301.07	4.20	-45.78
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007567182	0	37	-1.0	-47.45	314.83	5.80	-41.65
CC(C)C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007567183	0	33	-1.0	-51.39	295.78	4.12	-47.27
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567184	0	36	-1.0	-60.59	312.99	5.02	-55.57
CC(C)C(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007567185	0	33	-1.0	-59.75	286.07	4.97	-54.78
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567186	0	38	-1.0	-42.91	336.93	4.89	-38.02
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567187	0	38	-1.0	-53.05	318.88	3.67	-49.38
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1C	REAL300007567188	0	43	-1.0	-42.62	329.45	6.18	-36.44
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567189	0	46	-1.0	-56.29	358.95	6.76	-49.53
CC(C)C(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007567190	0	34	-1.0	-50.73	305.63	4.47	-46.26
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007567191	0	34	-1.0	-55.22	292.62	5.01	-50.21
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007567192	0	37	-1.0	-60.00	322.35	4.21	-55.79
CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007567193	0	43	-1.0	-54.19	349.07	5.87	-48.32
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567194	0	48	-1.0	-55.54	409.63	3.25	-52.29
CC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007567195	0	42	-1.0	-55.16	362.46	1.47	-53.69
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Br	REAL300007567196	0	35	-1.0	-50.99	316.74	3.44	-47.55
CC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007567197	0	37	-1.0	-36.89	347.15	5.56	-31.33
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300007567198	0	34	-1.0	-41.97	313.15	4.80	-37.17
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)=C1	REAL300007567199	0	45	-1.0	-45.66	383.75	7.13	-38.53
CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007567200	0	35	-1.0	-50.62	316.93	3.31	-47.31
CC1=C(C)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1C	REAL300007567201	0	46	-1.0	-46.33	342.90	6.62	-39.71
CC(C)C(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007567202	0	40	-1.0	-53.49	330.32	3.38	-50.11
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567203	0	47	-1.0	-47.76	378.03	5.76	-42.00
CC(C)C(NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300007567204	0	38	-1.0	-46.59	344.79	5.93	-40.66
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007567205	0	36	-1.0	-59.75	311.72	4.64	-55.11
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567206	0	35	-1.0	-44.38	323.19	4.03	-40.35
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567207	0	49	-1.0	-52.54	373.17	7.38	-45.16
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007567208	0	34	-1.0	-50.73	311.56	4.55	-46.18
CC(C)C(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007567209	0	41	-1.0	-53.74	333.68	6.01	-47.73
COC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567210	0	39	-1.0	-48.12	326.07	2.62	-45.50
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1OC	REAL300007567211	0	39	-1.0	-53.55	326.23	2.65	-50.90
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007567212	0	39	-1.0	-54.03	326.63	5.97	-48.06
CC(C)CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567213	0	46	-1.0	-53.94	371.01	6.95	-46.99
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1OCC	REAL300007567214	0	45	-1.0	-53.15	369.94	4.49	-48.66
CC(C)C(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007567215	0	36	-1.0	-56.87	321.14	-1.57	-58.44
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1C	REAL300007567216	0	39	-1.0	-41.42	333.76	5.39	-36.03
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1C	REAL300007567217	0	39	-1.0	-58.31	328.15	5.54	-52.77
CC1=CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C2N=C1	REAL300007567218	0	39	-1.0	-50.06	313.26	5.21	-44.85
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300007567219	0	37	-1.0	-56.54	316.58	4.30	-52.24
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567220	0	35	-1.0	-53.39	313.08	3.82	-49.57
CC(C)C(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007567221	0	36	-1.0	-49.97	323.11	-1.54	-51.51
CC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007567222	0	43	-1.0	-48.18	374.89	1.30	-46.88
CC(C)C(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007567223	0	39	-1.0	-55.91	333.12	4.97	-50.94
CC(C)C(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007567224	0	40	-1.0	-43.69	329.53	4.91	-38.78
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300007567225	0	39	-1.0	-47.65	324.86	4.80	-42.85
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007567226	0	39	-1.0	-58.04	324.17	6.21	-51.83
CC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007567227	0	42	-1.0	-49.76	364.44	1.51	-48.25
CC(C)C(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007567228	0	43	-1.0	-66.18	353.60	2.83	-63.35
CC(C)C(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007567229	0	37	-1.0	-54.11	329.57	1.03	-53.08
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007567230	0	41	-1.0	-57.32	337.23	7.33	-49.99
CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007567231	0	37	-1.0	-57.22	309.07	5.88	-51.34
CC(C)C(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007567232	0	41	-1.0	-54.09	345.10	6.93	-47.16
CC(C)C(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007567233	0	45	-1.0	-55.21	363.15	5.71	-49.50
CC(C)C(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007567234	0	32	-1.0	-55.60	296.18	1.92	-53.68
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567235	0	35	-1.0	-44.41	318.63	3.93	-40.48
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567236	0	46	-1.0	-53.34	357.33	6.26	-47.08
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300007567237	0	34	-1.0	-54.39	302.97	4.55	-49.84
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567238	0	41	-1.0	-52.34	340.20	4.37	-47.97
CC(C)C(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007567239	0	34	-1.0	-42.98	312.70	4.80	-38.18
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007567240	0	36	-1.0	-51.19	324.12	6.00	-45.19
CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007567241	0	36	-1.0	-50.22	296.92	4.61	-45.61
CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007567242	0	42	-1.0	-48.74	379.14	7.00	-41.74
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567243	0	37	-1.0	-51.45	325.22	3.92	-47.53
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300007567244	0	35	-1.0	-51.12	302.55	2.84	-48.28
CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007567245	0	42	-1.0	-52.32	376.33	6.89	-45.43
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)C=C1	REAL300007567246	0	46	-1.0	-53.29	391.03	5.68	-47.61
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300007567247	0	58	-1.0	-42.28	423.64	9.39	-32.89
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007567248	0	47	-1.0	-45.91	371.81	6.57	-39.34
CC(C)C(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007567249	0	34	-1.0	-40.24	323.12	5.17	-35.07
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007567250	0	41	-1.0	-48.74	338.91	5.19	-43.55
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C1(C)NC(=O)NC1=O	REAL300007567251	0	47	-1.0	-59.55	392.49	1.19	-58.36
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567252	0	36	-1.0	-50.24	311.59	5.06	-45.18
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567253	0	36	-1.0	-50.53	305.13	4.91	-45.62
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567254	0	39	-1.0	-59.23	327.57	5.83	-53.40
CC(C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567255	0	43	-1.0	-53.56	348.03	6.16	-47.40
COCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567256	0	41	-1.0	-54.22	344.13	3.95	-50.27
COCCN(CCOC)S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567257	0	43	-1.0	-53.34	344.18	0.82	-52.52
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567258	0	34	-1.0	-55.91	301.50	4.87	-51.04
COC1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007567259	0	41	-1.0	-52.42	344.53	4.41	-48.01
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567260	0	47	-1.0	-52.05	378.79	5.80	-46.25
CC(C)C(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007567261	0	45	-1.0	-52.64	362.17	5.66	-46.98
CC(C)COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567262	0	44	-1.0	-52.01	363.89	5.24	-46.77
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567263	0	41	-1.0	-53.47	340.35	4.47	-49.00
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300007567264	0	35	-1.0	-51.05	312.35	3.33	-47.72
CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007567265	0	35	-1.0	-52.69	328.09	3.65	-49.04
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007567266	0	38	-1.0	-44.77	318.37	3.55	-41.22
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300007567267	0	44	-1.0	-45.43	358.15	5.10	-40.33
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1	REAL300007567268	0	38	-1.0	-54.31	312.87	3.68	-50.63
COCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567269	0	42	-1.0	-56.40	357.79	3.04	-53.36
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567270	0	34	-1.0	-52.19	306.10	4.96	-47.23
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1C	REAL300007567271	0	39	-1.0	-50.45	322.20	6.47	-43.98
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567272	0	40	-1.0	-65.05	343.57	1.85	-63.20
CC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007567273	0	43	-1.0	-55.07	375.87	1.32	-53.75
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567274	0	39	-1.0	-55.53	347.53	-0.31	-55.84
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567275	0	39	-1.0	-58.56	324.66	1.32	-57.24
CC(C)C(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007567276	0	34	-1.0	-53.13	304.61	4.87	-48.26
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1F	REAL300007567277	0	35	-1.0	-49.90	306.62	2.89	-47.01
CC(C)C(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007567278	0	41	-1.0	-46.77	343.07	6.92	-39.85
CC(C)C(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007567279	0	34	-1.0	-39.65	329.51	5.29	-34.36
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S2)=CS1	REAL300007567280	0	37	-1.0	-45.21	345.33	4.03	-41.18
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007567281	0	51	-1.0	-52.85	407.42	7.16	-45.69
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567282	0	39	-1.0	-49.65	313.29	5.16	-44.49
CNC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN1C	REAL300007567283	0	39	-1.0	-56.17	337.61	1.20	-54.97
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1	REAL300007567284	0	41	-1.0	-42.77	320.82	4.21	-38.56
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007567285	0	42	-1.0	-55.26	357.06	7.65	-47.61
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007567286	0	41	-1.0	-55.11	332.28	4.37	-50.74
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300007567287	0	39	-1.0	-55.55	318.98	4.75	-50.80
CC(C)C(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007567288	0	36	-1.0	-56.54	304.38	4.09	-52.45
CC(C)C(NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007567289	0	44	-1.0	-59.04	370.73	7.36	-51.68
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300007567290	0	36	-1.0	-53.99	318.77	4.37	-49.62
CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007567291	0	38	-1.0	-53.15	341.85	4.21	-48.94
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007567292	0	45	-1.0	-53.32	382.18	6.80	-46.52
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567293	0	39	-1.0	-58.87	334.02	4.79	-54.08
CC(C)C(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007567294	0	41	-1.0	-44.60	351.85	5.02	-39.58
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567295	0	53	-1.0	-53.57	401.05	6.21	-47.36
CC(C)C(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007567296	0	39	-1.0	-57.50	347.99	0.14	-57.36
CC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007567297	0	46	-1.0	-53.98	395.58	2.75	-51.23
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007567298	0	44	-1.0	-45.72	357.29	6.03	-39.69
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567299	0	41	-1.0	-45.97	337.05	4.93	-41.04
CC(C)C(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007567300	0	36	-1.0	-49.64	317.14	3.69	-45.95
CC(C)C(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007567301	0	38	-1.0	-49.94	329.44	4.64	-45.30
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567302	0	45	-1.0	-55.24	379.68	4.00	-51.24
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567303	0	47	-1.0	-52.89	382.68	6.06	-46.83
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007567304	0	41	-1.0	-55.27	323.80	6.20	-49.07
CC(C)C(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007567305	0	37	-1.0	-55.96	315.11	5.28	-50.68
CC(C)C(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007567306	0	35	-1.0	-52.48	329.23	4.99	-47.49
CC(C)C(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007567307	0	39	-1.0	-62.25	330.37	4.73	-57.52
CC(C)C(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300007567308	0	37	-1.0	-62.76	309.93	-0.17	-62.93
CC(C)C(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007567309	0	36	-1.0	-44.89	314.15	3.63	-41.26
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1	REAL300007567310	0	41	-1.0	-54.04	334.73	4.62	-49.42
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567311	0	39	-1.0	-52.52	350.20	-0.22	-52.74
CC(C)C(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007567312	0	35	-1.0	-55.64	308.96	3.67	-51.97
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567313	0	35	-1.0	-52.18	311.14	4.54	-47.64
CC(C)C(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007567314	0	37	-1.0	-40.95	329.67	5.22	-35.73
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567315	0	42	-1.0	-56.21	335.47	5.15	-51.06
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007567316	0	37	-1.0	-46.53	313.18	3.25	-43.28
CC(C)C(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007567317	0	36	-1.0	-45.26	306.86	4.07	-41.19
CC(C)C(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007567318	0	43	-1.0	-56.59	362.48	5.47	-51.12
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300007567319	0	37	-1.0	-42.06	320.15	4.98	-37.08
CC(C)C(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007567320	0	37	-1.0	-55.99	338.44	4.45	-51.54
CC(C)C(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007567321	0	40	-1.0	-47.50	338.47	5.21	-42.29
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C12	REAL300007567322	0	39	-1.0	-51.26	339.18	3.25	-48.01
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567323	0	38	-1.0	-57.87	335.38	4.08	-53.79
COCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567324	0	38	-1.0	-55.73	327.93	3.25	-52.48
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007567325	0	42	-1.0	-47.36	330.66	4.73	-42.63
CC(C)C(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007567326	0	34	-1.0	-56.41	304.74	4.60	-51.81
CC(C)C(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007567327	0	43	-1.0	-69.15	367.54	2.02	-67.13
CC(C)C(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007567328	0	38	-1.0	-56.12	337.16	3.95	-52.17
COC1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Br	REAL300007567329	0	39	-1.0	-45.58	346.49	3.31	-42.27
CC(C)C(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007567330	0	39	-1.0	-57.13	331.57	4.15	-52.98
CC(C)C(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007567331	0	34	-1.0	-44.68	317.51	5.09	-39.59
CC(C)C(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007567332	0	39	-1.0	-53.05	323.90	4.09	-48.96
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567333	0	43	-1.0	-42.22	325.97	6.69	-35.53
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567334	0	43	-1.0	-42.49	353.80	2.42	-40.07
CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007567335	0	42	-1.0	-45.10	379.04	6.99	-38.11
CC(C)C(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007567336	0	37	-1.0	-53.04	337.55	4.20	-48.84
CC(C)C(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007567337	0	37	-1.0	-54.71	346.12	4.98	-49.73
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)=CO1	REAL300007567338	0	40	-1.0	-48.75	350.04	2.68	-46.07
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007567339	0	34	-1.0	-51.83	307.99	2.48	-49.35
CC(C)C(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007567340	0	34	-1.0	-51.79	298.88	2.19	-49.60
CC(C)C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007567341	0	39	-1.0	-53.44	320.59	4.10	-49.34
CC1=CC=C(N2C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N2)C=C1	REAL300007567342	0	41	-1.0	-52.69	355.58	5.35	-47.34
CC(C)C(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007567343	0	39	-1.0	-43.36	339.66	4.58	-38.78
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300007567344	0	36	-1.0	-41.13	317.79	4.80	-36.33
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300007567345	0	42	-1.0	-54.29	356.61	4.27	-50.02
CC(C)C(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007567346	0	33	-1.0	-53.68	304.88	3.01	-50.67
CC(C)C(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007567347	0	39	-1.0	-56.00	318.65	3.84	-52.16
CC1=CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2C=C1	REAL300007567348	0	40	-1.0	-47.61	336.17	6.45	-41.16
CC(C)C(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007567349	0	39	-1.0	-54.58	322.45	3.92	-50.66
CC(C)C(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007567350	0	36	-1.0	-58.11	313.85	3.54	-54.57
CC(C)C(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007567351	0	37	-1.0	-41.64	329.43	5.50	-36.14
CC(C)C(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007567352	0	43	-1.0	-46.39	339.94	4.01	-42.38
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007567353	0	33	-1.0	-50.28	305.67	2.72	-47.56
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567354	0	39	-1.0	-62.51	323.17	4.08	-58.43
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567355	0	39	-1.0	-49.24	327.18	5.51	-43.73
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300007567356	0	39	-1.0	-47.43	321.38	6.41	-41.02
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007567357	0	39	-1.0	-60.81	328.96	5.34	-55.47
COC1=CC=C(CCS(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567358	0	41	-1.0	-41.98	341.61	4.28	-37.70
CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007567359	0	40	-1.0	-42.77	342.34	5.20	-37.57
COC1=CC(OC)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567360	0	39	-1.0	-46.57	324.86	2.06	-44.51
CC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C)OCO2	REAL300007567361	0	37	-1.0	-42.62	311.17	3.13	-39.49
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Cl	REAL300007567362	0	35	-1.0	-50.05	312.36	3.33	-46.72
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300007567363	0	37	-1.0	-58.31	315.11	4.81	-53.50
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300007567364	0	39	-1.0	-62.09	316.43	5.01	-57.08
CC1=NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2O1	REAL300007567365	0	36	-1.0	-52.67	314.53	1.18	-51.49
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1CC	REAL300007567366	0	43	-1.0	-55.38	349.88	6.10	-49.28
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567367	0	39	-1.0	-47.65	322.77	5.70	-41.95
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567368	0	41	-1.0	-56.92	325.52	4.98	-51.94
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007567369	0	32	-1.0	-39.71	290.81	1.34	-38.37
CC(C)C(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007567370	0	38	-1.0	-55.10	315.67	3.27	-51.83
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007567371	0	37	-1.0	-48.49	312.84	5.37	-43.12
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007567372	0	34	-1.0	-43.60	276.07	1.88	-41.72
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC(C)=C1F	REAL300007567373	0	37	-1.0	-50.85	314.59	4.78	-46.07
CC(C)C(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007567374	0	38	-1.0	-62.53	323.52	3.19	-59.34
CC(C)C(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007567375	0	44	-1.0	-40.79	364.16	4.97	-35.82
CC(C)C(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007567376	0	35	-1.0	-59.83	310.60	3.59	-56.24
CC(C)C(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007567377	0	33	-1.0	-59.41	304.46	3.07	-56.34
CC(C)C(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007567378	0	34	-1.0	-56.23	307.89	4.67	-51.56
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Cl	REAL300007567379	0	34	-1.0	-41.66	304.35	4.60	-37.06
CC(C)C(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007567380	0	37	-1.0	-65.99	320.94	4.49	-61.50
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)=N1	REAL300007567381	0	40	-1.0	-44.94	352.12	4.93	-40.01
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007567382	0	39	-1.0	-48.18	320.19	4.73	-43.45
CC(C)C(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007567383	0	38	-1.0	-61.18	332.00	1.33	-59.85
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007567384	0	40	-1.0	-49.45	327.27	3.89	-45.56
CC(C)C(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007567385	0	34	-1.0	-55.29	314.43	4.77	-50.52
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567386	0	56	-1.0	-53.66	453.15	8.47	-45.19
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567387	0	41	-1.0	-57.33	365.72	5.75	-51.58
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567388	0	44	-1.0	-53.53	360.98	5.18	-48.35
COC(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C1CCCC1	REAL300007567389	0	44	-1.0	-55.60	344.54	3.75	-51.85
COC(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C1CCCCC1	REAL300007567390	0	47	-1.0	-56.65	364.38	4.56	-52.09
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007567391	0	45	-1.0	-52.29	384.98	6.80	-45.49
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300007567392	0	50	-1.0	-51.92	402.36	6.57	-45.35
CCC1=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN1CC1CC1	REAL300007567393	0	44	-1.0	-63.73	362.81	5.27	-58.46
CC(C)C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007567394	0	34	-1.0	-42.79	305.63	3.00	-39.79
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300007567395	0	39	-1.0	-50.36	331.16	5.98	-44.38
CC(C)C(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007567396	0	38	-1.0	-51.18	316.85	3.31	-47.87
CC(C)C(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007567397	0	44	-1.0	-50.76	370.61	5.77	-44.99
CC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007567398	0	34	-1.0	-47.83	314.15	2.23	-45.60
CC(C)C(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007567399	0	42	-1.0	-53.80	373.45	7.62	-46.18
CC(C)C(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007567400	0	41	-1.0	-50.92	339.80	7.03	-43.89
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC(C)=C1OCC1=CC=CC=C1	REAL300007567401	0	51	-1.0	-54.17	428.21	8.43	-45.74
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300007567402	0	44	-1.0	-55.24	353.89	5.21	-50.03
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007567403	0	37	-1.0	-49.72	338.09	5.35	-44.37
CC(C)C(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007567404	1	33	-1.0	-49.43	292.98	2.43	-47.00
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300007567405	0	40	-1.0	-48.28	319.08	6.57	-41.71
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300007567406	0	40	-1.0	-50.77	342.06	2.09	-48.68
COC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567407	0	35	-1.0	-52.70	306.98	3.69	-49.01
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300007567408	0	47	-1.0	-53.94	376.81	5.72	-48.22
CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007567409	0	43	-1.0	-54.40	345.74	5.70	-48.70
CC(C)C(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007567410	0	50	-1.0	-41.67	388.99	7.94	-33.73
CC(C)C(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007567411	0	41	-1.0	-45.25	322.14	3.48	-41.77
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007567412	0	43	-1.0	-57.42	339.55	3.86	-53.56
CC(C)C(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007567413	0	41	-1.0	-53.54	339.16	3.88	-49.66
CC(C)C(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007567414	0	34	-1.0	-39.98	299.96	2.35	-37.63
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567415	0	38	-1.0	-58.71	325.74	3.59	-55.12
C=CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567416	0	41	-1.0	-53.38	348.16	6.30	-47.08
CCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300007567417	0	53	-1.0	-52.73	425.79	7.38	-45.35
CC(C)C(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007567418	0	35	-1.0	-53.58	322.70	5.28	-48.30
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300007567419	0	53	-1.0	-46.31	417.66	7.34	-38.97
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1CC	REAL300007567420	0	47	-1.0	-53.12	385.44	6.03	-47.09
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567421	0	37	-1.0	-40.99	311.28	5.51	-35.48
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567422	0	37	-1.0	-55.89	328.25	5.35	-50.54
CC(C)C(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007567423	0	35	-1.0	-45.58	315.02	5.13	-40.45
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567424	0	47	-1.0	-52.61	387.33	6.31	-46.30
CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007567425	0	36	-1.0	-57.19	304.92	4.04	-53.15
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)C=C1	REAL300007567426	0	46	-1.0	-51.90	395.75	7.33	-44.57
CC(C)C(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007567427	0	38	-1.0	-54.26	321.69	3.21	-51.05
CC(C)C(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007567428	0	38	-1.0	-43.01	310.96	3.08	-39.93
CC(C)C(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007567429	0	41	-1.0	-50.23	329.83	4.19	-46.04
CC(C)C(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007567430	0	42	-1.0	-45.17	332.54	1.94	-43.23
CC(C)C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007567431	0	37	-1.0	-52.66	338.59	4.46	-48.20
CC(C)C(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007567432	0	38	-1.0	-54.93	310.97	3.37	-51.56
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300007567433	0	56	-1.0	-52.39	441.96	8.06	-44.33
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007567434	0	47	-1.0	-57.73	365.69	5.12	-52.61
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567435	0	41	-1.0	-57.68	343.92	4.89	-52.79
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(C)C	REAL300007567436	0	54	-1.0	-54.08	436.34	5.99	-48.09
CC(C)C(NS(=O)(=O)C1=C2OC(C)CC2=CC=C1)C(=O)[O-]	REAL300007567437	0	39	-1.0	-59.02	329.40	4.19	-54.83
CC(C)C(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007567438	0	39	-1.0	-52.01	342.40	3.24	-48.77
CC(C)C(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007567439	0	37	-1.0	-56.73	318.73	4.12	-52.61
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567440	0	36	-1.0	-54.46	310.04	3.15	-51.31
CC(C)C(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007567441	0	35	-1.0	-52.82	326.41	4.10	-48.72
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007567442	0	34	-1.0	-47.74	307.72	4.94	-42.80
CC(C)C(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007567443	0	38	-1.0	-52.62	319.51	3.07	-49.55
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1F	REAL300007567444	0	40	-1.0	-41.91	317.49	5.69	-36.22
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1OC	REAL300007567445	0	39	-1.0	-54.93	325.65	3.37	-51.56
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007567446	0	44	-1.0	-46.97	358.09	4.48	-42.49
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567447	0	43	-1.0	-51.82	343.13	3.92	-47.90
CCCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=N1	REAL300007567448	0	43	-1.0	-52.41	358.65	4.16	-48.25
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007567449	0	38	-1.0	-47.54	329.40	3.47	-44.07
CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007567450	0	35	-1.0	-55.98	306.77	3.02	-52.96
CC(C)C(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007567451	0	36	-1.0	-53.79	314.49	1.90	-51.89
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Br	REAL300007567452	0	37	-1.0	-54.83	322.25	5.62	-49.21
CC(C)C(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007567453	0	37	-1.0	-50.43	342.28	4.71	-45.72
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007567454	0	41	-1.0	-47.10	344.73	4.00	-43.10
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567455	0	49	-1.0	-58.05	376.38	7.14	-50.91
CC(C)C(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007567456	0	37	-1.0	-50.45	342.15	5.40	-45.05
CC(C)C(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007567457	0	41	-1.0	-51.32	345.62	4.17	-47.15
CC(C)C(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007567458	0	35	-1.0	-42.92	293.32	4.31	-38.61
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007567459	0	42	-1.0	-56.94	369.40	6.42	-50.52
COC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300007567460	0	40	-1.0	-71.67	334.59	4.92	-66.75
CC(C)C(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007567461	0	38	-1.0	-45.65	313.68	3.07	-42.58
CC(C)C(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007567462	0	40	-1.0	-50.17	314.17	3.50	-46.67
CC(C)C(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007567463	0	40	-1.0	-46.31	333.36	3.22	-43.09
CC(C)C(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007567464	0	38	-1.0	-44.63	317.32	2.56	-42.07
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300007567465	0	36	-1.0	-41.18	319.79	3.32	-37.86
CC(C)C(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007567466	0	34	-1.0	-39.52	318.79	4.68	-34.84
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567467	0	42	-1.0	-58.53	355.52	5.55	-52.98
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007567468	0	42	-1.0	-46.89	341.86	6.68	-40.21
CC(C)C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007567469	0	37	-1.0	-52.43	336.48	4.61	-47.82
CC(C)C(NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007567470	0	38	-1.0	-46.34	320.49	1.83	-44.51
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567471	0	41	-1.0	-50.97	363.09	4.24	-46.73
CC(C)C(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007567472	0	31	-1.0	-52.67	287.61	3.88	-48.79
CC(C)C(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007567473	0	41	-1.0	-53.27	332.47	3.90	-49.37
CCC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567474	0	40	-1.0	-49.71	327.53	3.41	-46.30
CC(C)C(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007567475	0	45	-1.0	-52.88	332.94	4.26	-48.62
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007567476	0	45	-1.0	-54.07	363.91	2.51	-51.56
CC(C)C(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007567477	0	37	-1.0	-52.87	326.08	5.07	-47.80
CC(C)C(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007567478	0	35	-1.0	-53.80	306.81	3.03	-50.77
CC(C)C(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007567479	0	46	-1.0	-42.31	364.39	6.18	-36.13
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300007567480	0	42	-1.0	-66.70	343.50	5.90	-60.80
CC(C)C(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007567481	0	39	-1.0	-38.99	324.34	3.66	-35.33
CCOCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567482	0	41	-1.0	-55.81	349.79	4.21	-51.60
CC(C)C(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007567483	0	34	-1.0	-46.31	332.92	5.63	-40.68
CC(C)C(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007567484	0	41	-1.0	-51.37	346.92	4.72	-46.65
CC(C)C(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007567485	0	44	-1.0	-54.41	360.06	4.50	-49.91
CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007567486	0	42	-1.0	-52.92	361.50	6.40	-46.52
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC(C)=C1Br	REAL300007567487	0	37	-1.0	-51.26	325.26	5.18	-46.08
CC(C)C(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007567488	0	34	-1.0	-46.31	332.92	5.63	-40.68
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007567489	0	40	-1.0	-48.91	332.00	6.49	-42.42
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007567490	0	41	-1.0	-55.25	342.52	4.99	-50.26
CC(C)C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007567491	0	35	-1.0	-44.93	307.18	4.76	-40.17
CC(C)C(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007567492	0	35	-1.0	-53.53	327.26	5.38	-48.15
CC(C)C(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007567493	0	35	-1.0	-44.65	326.83	5.43	-39.22
CC(C)C(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007567494	0	36	-1.0	-42.60	310.63	-2.57	-45.17
CC(C)C(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007567495	0	33	-1.0	-53.63	298.42	2.84	-50.79
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300007567496	0	40	-1.0	-51.51	340.24	2.64	-48.87
CC(C)C(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007567497	0	48	-1.0	-57.33	347.79	6.40	-50.93
CC(C)C(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007567498	0	39	-1.0	-53.90	305.72	3.93	-49.97
CC(C)C(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007567499	0	39	-1.0	-66.36	343.19	0.32	-66.04
CC(C)C(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007567500	0	44	-1.0	-57.49	345.06	3.88	-53.61
CC(C)C(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007567501	0	35	-1.0	-63.67	318.77	2.56	-61.11
CC(C)C(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007567502	0	41	-1.0	-58.32	354.64	6.37	-51.95
CC(C)C(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007567503	0	40	-1.0	-60.68	319.87	0.88	-59.80
CC(C)C(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007567504	0	44	-1.0	-41.17	333.22	5.48	-35.69
CC(C)C(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007567505	0	35	-1.0	-54.37	315.44	4.87	-49.50
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007567506	0	53	-1.0	-47.12	398.46	7.68	-39.44
COC1=CC=C(C=C(C)S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567507	0	42	-1.0	-42.92	339.24	4.36	-38.56
COC1=CSC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1OC	REAL300007567508	0	36	-1.0	-57.59	318.65	1.37	-56.22
CC(C)C(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300007567509	0	43	-1.0	-44.56	326.75	3.92	-40.64
CC(C)C(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007567510	0	42	-1.0	-54.40	344.88	5.19	-49.21
CC(C)C(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007567511	0	35	-1.0	-53.22	319.28	4.43	-48.79
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300007567512	0	35	-1.0	-45.34	311.19	3.17	-42.17
CC(C)C(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007567513	0	35	-1.0	-56.24	316.38	3.17	-53.07
CC(C)C(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007567514	0	37	-1.0	-52.09	315.03	3.45	-48.64
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300007567515	0	38	-1.0	-59.39	326.51	5.29	-54.10
CC(C)C(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007567516	0	40	-1.0	-52.08	345.72	3.94	-48.14
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567517	0	44	-1.0	-54.83	355.60	5.81	-49.02
CC(C)C(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007567518	0	42	-1.0	-53.29	359.64	6.36	-46.93
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007567519	0	37	-1.0	-61.99	304.81	5.45	-56.54
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007567520	0	32	-1.0	-43.40	296.09	2.35	-41.05
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567521	0	42	-1.0	-54.73	356.50	5.15	-49.58
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300007567522	0	41	-1.0	-48.16	350.84	4.32	-43.84
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NSN=C2C=C1	REAL300007567523	0	35	-1.0	-63.54	306.07	2.91	-60.63
CC(C)C(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007567524	0	37	-1.0	-42.30	328.51	6.24	-36.06
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007567525	0	41	-1.0	-43.09	356.80	7.39	-35.70
CC(C)C(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007567526	0	30	-1.0	-42.13	300.97	1.59	-40.54
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300007567527	0	37	-1.0	-51.12	326.55	5.32	-45.80
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567528	0	44	-1.0	-46.51	360.35	4.82	-41.69
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567529	0	45	-1.0	-46.49	373.16	3.83	-42.66
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007567530	0	37	-1.0	-46.68	332.07	6.46	-40.22
CC(C)C(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007567531	0	39	-1.0	-50.89	315.28	1.14	-49.75
CC(C)C(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300007567532	0	37	-1.0	-44.52	330.72	3.28	-41.24
CC(C)C(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007567533	0	46	-1.0	-53.77	374.73	3.91	-49.86
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567534	0	34	-1.0	-41.22	293.60	1.41	-39.81
COC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007567535	0	37	-1.0	-44.06	320.96	1.04	-43.02
CC(C)CN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300007567536	0	40	-1.0	-44.22	332.32	3.69	-40.53
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567537	0	40	-1.0	-53.24	332.22	3.18	-50.06
CC(C)C(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007567538	0	41	-1.0	-53.94	329.32	1.25	-52.69
COCC1=CC(CS(=O)(=O)NC(C(=O)[O-])C(C)C)=NO1	REAL300007567539	0	37	-1.0	-56.86	325.14	1.41	-55.45
CC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007567540	0	36	-1.0	-56.03	320.85	5.50	-50.53
CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007567541	0	42	-1.0	-46.62	338.28	3.82	-42.80
CC(C)C(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007567542	0	38	-1.0	-42.12	314.82	3.21	-38.91
CC(C)C(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007567543	0	38	-1.0	-51.23	323.36	4.71	-46.52
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300007567544	0	33	-1.0	-48.99	301.83	2.54	-46.45
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=NN1C(C)C	REAL300007567545	0	40	-1.0	-57.10	331.29	3.32	-53.78
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007567546	0	45	-1.0	-45.64	377.67	7.08	-38.56
CC(C)C(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007567547	0	36	-1.0	-52.62	305.46	4.01	-48.61
CC(C)C(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007567548	0	34	-1.0	-50.54	295.40	3.04	-47.50
CC(C)C(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007567549	0	39	-1.0	-60.62	325.19	-0.83	-61.45
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C(F)F)=C1	REAL300007567550	0	38	-1.0	-62.77	315.19	3.54	-59.23
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567551	0	37	-1.0	-40.26	315.95	1.92	-38.34
CC(C)C(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300007567552	0	36	-1.0	-53.79	305.34	3.94	-49.85
CCOC1=CC=CN=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007567553	0	37	-1.0	-48.82	313.27	2.81	-46.01
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300007567554	0	39	-1.0	-61.88	328.66	4.85	-57.03
CC(C)C(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300007567555	0	33	-1.0	-49.14	296.07	2.47	-46.67
CC(C)C(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007567556	0	38	-1.0	-53.04	340.74	4.47	-48.57
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007567557	0	44	-1.0	-58.74	358.92	5.49	-53.25
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2)C=C1	REAL300007567558	0	38	-1.0	-50.76	326.66	6.32	-44.44
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CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=NN(C)C=C2)C=C1	REAL300007567686	0	38	-1.0	-51.19	336.75	4.12	-47.07
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)C=C1[N+](=O)[O-]	REAL300007567687	0	46	-1.0	-58.99	389.60	8.15	-50.84
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(Cl)C=C2)C=C1	REAL300007567688	0	38	-1.0	-47.91	343.38	6.84	-41.07
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(Br)C=C2)C=C1	REAL300007567689	0	38	-1.0	-47.78	347.95	6.94	-40.84
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1	REAL300007567690	0	40	-1.0	-47.97	354.88	6.99	-40.98
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=C1	REAL300007567691	0	44	-1.0	-55.69	380.58	9.03	-46.66
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C=C1	REAL300007567692	0	40	-1.0	-46.01	358.30	7.18	-38.83
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)C=C1	REAL300007567693	0	43	-1.0	-58.98	372.03	8.93	-50.05
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)C=C1	REAL300007567694	0	42	-1.0	-49.87	356.14	5.62	-44.25
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CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)C=C2)C=C1	REAL300007567696	0	41	-1.0	-55.17	355.96	7.47	-47.70
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CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C=CC2=CC=CC=C2)C=C1	REAL300007567703	0	42	-1.0	-46.65	364.37	7.81	-38.84
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CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(Cl)=C2)C=C1	REAL300007567705	0	38	-1.0	-43.48	346.81	7.02	-36.46
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CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=CC=C2C)C=C1	REAL300007567707	0	44	-1.0	-56.95	365.22	8.93	-48.02
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COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)C=C1[N+](=O)[O-]	REAL300007567710	0	44	-1.0	-60.49	382.17	7.06	-53.43
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300007567711	0	50	-1.0	-50.28	402.86	8.64	-41.64
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C(C)C)C=C2)C=C1	REAL300007567712	0	47	-1.0	-50.33	386.88	8.25	-42.08
CCCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)C=C1	REAL300007567713	0	47	-1.0	-50.23	391.05	8.54	-41.69
COC1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C)C=C1	REAL300007567714	0	42	-1.0	-47.79	352.19	6.64	-41.15
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC=C2)C=C1	REAL300007567715	0	41	-1.0	-56.73	356.36	7.49	-49.24
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CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C3OCCCOC3=C2)C=C1	REAL300007567717	0	47	-1.0	-49.98	389.48	6.27	-43.71
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COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)C=C1OC	REAL300007567723	0	46	-1.0	-50.70	385.39	5.52	-45.18
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C3CCCC3=C2)C=C1	REAL300007567724	0	45	-1.0	-46.56	375.56	8.42	-38.14
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CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC3=CC=CC=C3CC2)C=C1	REAL300007567726	0	46	-1.0	-54.73	388.74	9.13	-45.60
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C3OCCC3=C2)C=C1	REAL300007567727	0	43	-1.0	-54.44	370.57	6.59	-47.85
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CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C=C1	REAL300007567729	0	43	-1.0	-55.36	380.90	1.27	-54.09
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CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC3=CC(C)=CN=C32)C=C1	REAL300007567733	0	46	-1.0	-52.60	385.47	8.35	-44.25
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)C([N+](=O)[O-])=C1	REAL300007567734	0	44	-1.0	-50.34	368.62	7.51	-42.83
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CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C=C1	REAL300007567736	0	43	-1.0	-54.05	380.90	1.27	-52.78
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCCCC2)C=C1	REAL300007567737	0	43	-1.0	-54.18	339.88	6.20	-47.98
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCCC2)C=C1	REAL300007567738	0	40	-1.0	-43.71	332.02	5.13	-38.58
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CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCC(C)CC2)C=C1	REAL300007567742	0	46	-1.0	-43.06	368.57	6.55	-36.51
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CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CC(C)CC(C)C2)C=C1	REAL300007567745	0	49	-1.0	-54.31	368.61	7.18	-47.13
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CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(F)=CC=C2C)C=C1	REAL300007567748	0	41	-1.0	-55.74	350.29	8.08	-47.66
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COC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C)C=C1	REAL300007567750	0	42	-1.0	-46.30	369.36	7.20	-39.10
COC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)=C1	REAL300007567751	0	42	-1.0	-47.33	359.57	5.81	-41.52
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)C=C1	REAL300007567752	0	53	-1.0	-50.42	417.08	9.11	-41.31
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CCC1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C)C=C1	REAL300007567755	0	44	-1.0	-45.32	350.37	8.34	-36.98
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2C)C=C1	REAL300007567756	0	41	-1.0	-56.45	341.07	8.03	-48.42
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CC1=CSC(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C)C=C1	REAL300007567956	0	41	-1.0	-42.48	350.01	7.17	-35.31
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C3CCC3)N=C2)C=C1	REAL300007567957	0	45	-1.0	-53.55	377.34	6.01	-47.54
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NN2C2CCC2)C=C1	REAL300007567958	0	45	-1.0	-46.14	371.55	6.05	-40.09
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NN2CC2CCC2)C=C1	REAL300007567959	0	48	-1.0	-44.58	390.96	6.83	-37.75
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C=C1	REAL300007567960	0	49	-1.0	-59.75	405.29	5.36	-54.39
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=C3CCCCN23)C=C1	REAL300007567961	0	45	-1.0	-50.84	370.89	6.47	-44.37
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C=C1	REAL300007567962	0	48	-1.0	-58.58	408.42	8.25	-50.33
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC3=C2OC(C)C3)C=C1	REAL300007567963	0	46	-1.0	-49.71	380.75	7.34	-42.37
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=C(C(C)(C)C)S2)C=C1	REAL300007567964	0	46	-1.0	-46.28	400.28	6.21	-40.07
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C)C=C1	REAL300007567965	0	43	-1.0	-65.09	376.25	6.38	-58.71
CCN1N=NC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C)C=C1	REAL300007567966	0	40	-1.0	-44.86	341.21	3.78	-41.08
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C=C1	REAL300007567967	0	47	-1.0	-55.22	365.23	6.89	-48.33
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC3=NON=C3C=C2)C=C1	REAL300007567968	0	39	-1.0	-49.55	341.42	5.10	-44.45
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC3=CC=CC=C3S2)C=C1	REAL300007567969	0	41	-1.0	-46.86	370.18	8.00	-38.86
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C3CC3)=NN2C)C=C1	REAL300007567970	0	45	-1.0	-46.47	384.42	6.35	-40.12
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)C=C1	REAL300007567971	0	47	-1.0	-52.26	377.21	9.04	-43.22
COC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)=C1OC	REAL300007567972	0	46	-1.0	-47.69	373.62	6.51	-41.18
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=COC3=CC=CC=C23)C=C1	REAL300007567973	0	41	-1.0	-48.30	352.86	6.51	-41.79
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)N=C2C2CCCC2)C=C1	REAL300007567974	0	51	-1.0	-55.65	413.60	8.09	-47.56
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(C)C=C1	REAL300007567975	0	50	-1.0	-53.35	408.95	7.27	-46.08
CCCCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)C(C)=N1	REAL300007567976	0	50	-1.0	-54.19	416.21	8.05	-46.14
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)N=C2C2CC2)C=C1	REAL300007567977	0	45	-1.0	-49.11	384.93	6.40	-42.71
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)C=C1	REAL300007567978	0	42	-1.0	-55.65	373.79	6.37	-49.28
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C=C1	REAL300007567979	0	43	-1.0	-54.37	368.55	5.03	-49.34
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCCC(C)(C)C2)C=C1	REAL300007567980	0	49	-1.0	-43.17	384.94	7.15	-36.02
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)N=C2C2CCC2)C=C1	REAL300007567981	0	48	-1.0	-55.36	400.39	7.69	-47.67
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(CC3CCC3)N=C2)C=C1	REAL300007567982	0	48	-1.0	-49.18	401.31	6.97	-42.21
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C3CC3)C=CS2)C=C1	REAL300007567983	0	42	-1.0	-44.45	368.27	7.75	-36.70
CCCC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)=C1	REAL300007567984	0	47	-1.0	-45.03	394.47	8.72	-36.31
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C3CCCC3=NN2C)C=C1	REAL300007567985	0	45	-1.0	-48.49	378.06	6.17	-42.32
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C=C1	REAL300007567986	0	44	-1.0	-54.86	356.50	6.76	-48.10
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=CC=C2C)C=C1	REAL300007567987	0	44	-1.0	-44.76	353.47	7.90	-36.86
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NN2C(C)(C)C)C=C1	REAL300007567988	0	47	-1.0	-45.13	371.45	6.11	-39.02
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C(C)(C)C)N=C2)C=C1	REAL300007567989	0	47	-1.0	-49.43	391.83	6.04	-43.39
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CNN=C2C2CCC2)C=C1	REAL300007567990	0	45	-1.0	-53.78	374.26	6.26	-47.52
CC1=NN(C)C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)=C1	REAL300007567991	0	41	-1.0	-45.81	354.66	4.85	-40.96
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(C)=C2C)C=C1	REAL300007567992	0	44	-1.0	-57.07	360.69	8.79	-48.28
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(C)C=C2)=C1	REAL300007567993	0	49	-1.0	-51.88	414.64	8.54	-43.34
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)C=C1	REAL300007567994	0	49	-1.0	-52.00	397.56	9.40	-42.60
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CC3=CC=CC=C3C2)C=C1	REAL300007567995	0	44	-1.0	-53.47	373.91	7.17	-46.30
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C2CCC2)C=C1	REAL300007567996	0	43	-1.0	-53.46	351.35	5.81	-47.65
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=NOC3=C2COCC3)C=C1	REAL300007567997	0	45	-1.0	-56.72	379.29	4.69	-52.03
CC1=CC=C(C(CC(=O)[O-])NC(=O)N2CCC(F)(F)CC2)C=C1	REAL300007567998	0	42	-1.0	-54.38	335.71	9.32	-45.06
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CSC=C2C(F)(F)F)C=C1	REAL300007567999	0	38	-1.0	-54.18	344.64	7.46	-46.72
CC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(C3CC3)=C2)C=C1	REAL300007568000	0	45	-1.0	-46.01	379.87	8.61	-37.40
CC1=C(Br)C=C(S(=O)(=O)NCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007568691	0	27	-1.0	-42.55	278.11	3.36	-39.19
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568692	0	33	-1.0	-49.65	289.63	1.68	-47.97
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C	REAL300007568693	0	33	-1.0	-49.50	305.23	-1.49	-50.99
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300007568694	0	40	-1.0	-50.45	347.66	4.13	-46.32
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568695	0	36	-1.0	-50.90	327.63	2.69	-48.21
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568696	0	36	-1.0	-49.37	320.38	2.68	-46.69
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007568697	0	37	-1.0	-50.23	328.71	2.96	-47.27
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007568698	0	29	-1.0	-43.82	281.59	1.85	-41.97
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(OC)=C1	REAL300007568699	0	40	-1.0	-52.29	354.04	-0.32	-52.61
COC1=CC(Br)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007568700	0	26	-1.0	-44.03	264.16	1.48	-42.55
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC(=O)[O-])=C1C	REAL300007568701	0	49	-1.0	-45.69	400.69	6.16	-39.53
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300007568702	0	36	-1.0	-45.84	324.43	-0.52	-46.36
O=C([O-])CNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007568703	0	25	-1.0	-47.58	258.42	2.87	-44.71
O=C([O-])CNS(=O)(=O)CC1=CC=CC=C1Br	REAL300007568704	0	25	-1.0	-47.66	253.90	2.82	-44.84
O=C([O-])CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007568705	0	29	-1.0	-59.13	277.99	-0.59	-59.72
CC1=CC(Br)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007568706	0	25	-1.0	-43.87	256.08	2.83	-41.04
CC1=C(Br)C=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568707	0	25	-1.0	-43.47	246.81	2.85	-40.62
COC1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1Br	REAL300007568708	0	26	-1.0	-43.08	263.29	1.52	-41.56
COC1=CC(OC)=C(S(=O)(=O)NCC(=O)[O-])C=C1Cl	REAL300007568709	0	30	-1.0	-46.99	279.39	1.25	-45.74
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1I	REAL300007568710	0	25	-1.0	-44.42	258.72	3.19	-41.23
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568711	0	34	-1.0	-50.90	317.02	0.77	-50.13
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007568712	0	39	-1.0	-50.24	350.16	1.27	-48.97
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568713	0	39	-1.0	-54.11	356.25	0.06	-54.05
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300007568714	0	30	-1.0	-47.46	292.33	-1.67	-49.13
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCC(=O)[O-])S1	REAL300007568715	0	36	-1.0	-52.28	348.67	-0.82	-53.10
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(OC)=C1	REAL300007568716	0	37	-1.0	-52.52	332.54	-1.12	-53.64
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(F)=C1	REAL300007568717	0	36	-1.0	-50.11	331.80	-0.39	-50.50
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568718	0	33	-1.0	-60.06	293.32	1.48	-58.58
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300007568719	0	36	-1.0	-46.21	335.29	0.01	-46.20
O=C([O-])CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007568720	0	37	-1.0	-61.12	319.54	2.65	-58.47
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300007568721	0	33	-1.0	-46.50	313.79	-0.78	-47.28
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007568722	0	37	-1.0	-47.23	327.12	1.99	-45.24
O=C([O-])CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007568723	0	34	-1.0	-48.36	280.72	0.55	-47.81
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007568724	0	31	-1.0	-51.07	295.53	-0.03	-51.10
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568725	0	32	-1.0	-54.60	294.58	-1.10	-55.70
CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007568726	0	29	-1.0	-44.56	285.13	2.45	-42.11
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007568727	0	36	-1.0	-47.33	321.56	4.61	-42.72
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007568728	0	26	-1.0	-43.95	260.36	2.17	-41.78
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007568729	0	28	-1.0	-45.56	293.82	-0.32	-45.88
COC1=CC=C(Br)C(CS(=O)(=O)NCC(=O)[O-])=C1	REAL300007568730	0	29	-1.0	-48.32	283.31	2.12	-46.20
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2S1	REAL300007568731	0	36	-1.0	-45.34	326.35	3.50	-41.84
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568732	0	29	-1.0	-46.79	273.34	2.56	-44.23
O=C([O-])CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007568733	0	25	-1.0	-43.92	269.00	3.49	-40.43
CC1=C(S(=O)(=O)NCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007568734	0	28	-1.0	-45.11	277.20	4.30	-40.81
O=C([O-])CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007568735	0	25	-1.0	-46.93	256.12	2.95	-43.98
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007568736	0	36	-1.0	-48.09	320.25	4.93	-43.16
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568737	0	35	-1.0	-50.78	320.78	3.12	-47.66
O=C([O-])CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007568738	0	33	-1.0	-52.51	313.38	-1.39	-53.90
O=C([O-])CNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007568739	0	28	-1.0	-47.50	274.81	3.48	-44.02
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCC(=O)[O-])=C1	REAL300007568740	0	31	-1.0	-58.29	297.81	-0.23	-58.52
O=C([O-])CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007568741	0	33	-1.0	-44.80	309.90	1.38	-43.42
O=C([O-])CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007568742	0	28	-1.0	-44.54	280.57	4.43	-40.11
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568743	1	37	-1.0	-48.11	333.24	-1.20	-49.31
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007568744	0	28	-1.0	-43.36	281.97	-0.36	-43.72
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NCC(=O)[O-])C=C12	REAL300007568746	0	37	-1.0	-48.90	336.75	4.82	-44.08
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCC(=O)[O-])C=C12	REAL300007568747	0	41	-1.0	-46.07	354.88	2.32	-43.75
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568748	0	29	-1.0	-46.88	277.03	2.92	-43.96
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300007568749	0	38	-1.0	-48.88	341.72	-0.88	-49.76
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568750	0	39	-1.0	-48.26	350.12	1.27	-46.99
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568751	0	33	-1.0	-48.64	308.96	-0.45	-49.09
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007568752	0	26	-1.0	-44.93	263.28	1.52	-43.41
O=C([O-])CNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007568753	0	28	-1.0	-41.21	291.16	3.56	-37.65
CC1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1Br	REAL300007568754	0	25	-1.0	-42.82	252.87	2.74	-40.08
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)=C1	REAL300007568755	0	36	-1.0	-45.40	323.48	5.06	-40.34
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568756	0	38	-1.0	-48.48	310.10	3.70	-44.78
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C21	REAL300007568757	0	29	-1.0	-47.37	288.80	3.93	-43.44
COC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568758	0	26	-1.0	-46.54	255.18	2.00	-44.54
CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1OCC	REAL300007568759	0	36	-1.0	-46.22	315.81	2.60	-43.62
O=C([O-])CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007568760	0	34	-1.0	-50.94	322.36	-0.60	-51.54
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCC(=O)[O-]	REAL300007568761	0	30	-1.0	-47.05	281.16	3.12	-43.93
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007568762	0	33	-1.0	-50.37	308.11	-0.41	-50.78
O=C([O-])CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007568763	0	34	-1.0	-54.71	299.30	0.89	-53.82
CN(C)C1=CC=CC2=C(S(=O)(=O)NCC(=O)[O-])C=CC=C12	REAL300007568764	0	36	-1.0	-47.11	307.79	3.76	-43.35
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007568765	0	27	-1.0	-48.73	269.63	4.03	-44.70
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007568766	0	33	-1.0	-44.26	319.05	4.97	-39.29
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007568767	0	33	-1.0	-44.28	318.77	4.92	-39.36
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C=C1	REAL300007568768	0	37	-1.0	-45.33	331.57	3.69	-41.64
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCC(=O)[O-])C(C(C)C)=C1	REAL300007568769	0	49	-1.0	-44.81	371.63	7.41	-37.40
CC(C)OC1=CC=C(S(=O)(=O)NCC(=O)[O-])C2=CC=CC=C12	REAL300007568770	0	38	-1.0	-47.68	322.48	4.81	-42.87
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300007568771	0	40	-1.0	-48.06	350.48	1.54	-46.52
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007568772	0	38	-1.0	-49.12	333.05	-0.78	-49.90
CC(C)CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568773	0	38	-1.0	-44.60	325.29	3.88	-40.72
O=C([O-])CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007568774	0	26	-1.0	-45.18	268.65	1.68	-43.50
CC1=CC(Br)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568775	0	25	-1.0	-42.38	249.36	3.06	-39.32
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568776	0	31	-1.0	-53.92	288.81	-0.03	-53.95
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007568777	0	34	-1.0	-48.61	322.37	-0.60	-49.21
CC1=NC(C2=CC=C(S(=O)(=O)NCC(=O)[O-])S2)=CS1	REAL300007568778	0	28	-1.0	-46.06	292.81	2.11	-43.95
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007568779	0	42	-1.0	-44.42	347.93	5.17	-39.25
O=C([O-])CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007568780	0	33	-1.0	-46.76	297.59	5.67	-41.09
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C=C1	REAL300007568781	0	39	-1.0	-47.94	360.13	3.19	-44.75
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007568782	0	29	-1.0	-46.04	284.28	2.24	-43.80
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007568783	0	36	-1.0	-45.97	324.62	4.83	-41.14
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568784	0	30	-1.0	-51.36	290.44	-1.83	-53.19
O=C([O-])CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007568785	0	37	-1.0	-51.46	335.30	0.69	-50.77
CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C2=CC=CC=C12	REAL300007568786	0	35	-1.0	-48.01	304.55	4.17	-43.84
CCOCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568787	0	36	-1.0	-47.51	320.21	2.01	-45.50
CCCCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568788	0	38	-1.0	-44.67	329.22	4.14	-40.53
O=C([O-])CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007568789	0	26	-1.0	-43.03	269.75	3.01	-40.02
O=C([O-])CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300007568790	0	43	-1.0	-51.15	361.07	2.25	-48.90
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300007568791	0	41	-1.0	-50.99	344.99	-0.59	-51.58
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300007568792	0	43	-1.0	-52.44	353.72	1.87	-50.57
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568793	0	43	-1.0	-48.60	365.22	2.44	-46.16
O=C([O-])CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300007568794	0	40	-1.0	-50.82	350.49	1.53	-49.29
O=C([O-])CNS(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1	REAL300007568795	0	28	-1.0	-46.66	301.08	2.84	-43.82
O=C([O-])CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007568796	0	34	-1.0	-47.62	307.09	3.53	-44.09
O=C([O-])CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007568797	0	28	-1.0	-46.98	286.20	2.29	-44.69
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1	REAL300007568798	0	33	-1.0	-49.32	330.19	-0.99	-50.31
COC1=CC(OC)=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007568799	0	30	-1.0	-46.96	283.77	1.36	-45.60
O=C([O-])CNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007568800	0	35	-1.0	-52.76	334.45	3.73	-49.03
O=C([O-])CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007568801	0	30	-1.0	-51.39	275.19	2.19	-49.20
CC1CC(C)CN(S(=O)(=O)C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C1	REAL300007568802	0	46	-1.0	-47.59	392.16	2.72	-44.87
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007568803	0	34	-1.0	-48.62	301.29	0.55	-48.07
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007568804	0	33	-1.0	-46.12	318.76	4.91	-41.21
O=C([O-])CNS(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300007568805	0	28	-1.0	-49.71	301.08	2.83	-46.88
O=C([O-])CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007568806	0	28	-1.0	-46.76	296.52	2.74	-44.02
CC1CC2=CC(S(=O)(=O)NCC(=O)[O-])=CC(Cl)=C2O1	REAL300007568807	0	30	-1.0	-44.61	287.14	2.66	-41.95
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC(=O)[O-])C=N1	REAL300007568808	0	33	-1.0	-51.03	301.10	2.31	-48.72
CC1=CSC(C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)=N1	REAL300007568809	0	31	-1.0	-46.09	299.60	3.02	-43.07
O=C([O-])CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007568810	0	29	-1.0	-51.83	278.45	-0.59	-52.42
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568811	0	47	-1.0	-44.61	393.72	6.48	-38.13
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568812	0	32	-1.0	-46.92	298.53	3.72	-43.20
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007568813	0	36	-1.0	-46.35	330.85	4.91	-41.44
CCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300007568814	0	41	-1.0	-44.78	344.83	4.60	-40.18
O=C([O-])CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007568815	0	35	-1.0	-44.00	314.33	3.87	-40.13
O=C([O-])CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007568816	0	33	-1.0	-46.83	314.00	5.65	-41.18
CC1=CC(Br)=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007568817	0	25	-1.0	-43.53	269.33	3.47	-40.06
CC1=CC(S(=O)(=O)NCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007568818	0	42	-1.0	-45.93	368.71	6.45	-39.48
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007568819	0	28	-1.0	-42.41	284.59	3.43	-38.98
CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300007568820	0	38	-1.0	-45.14	323.33	3.80	-41.34
O=C([O-])CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007568821	0	41	-1.0	-47.27	338.98	6.06	-41.21
CCCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300007568822	0	44	-1.0	-44.46	366.32	5.38	-39.08
CCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)(C)C	REAL300007568823	0	44	-1.0	-44.93	357.38	5.27	-39.66
CCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1CC	REAL300007568824	0	38	-1.0	-44.62	327.91	4.07	-40.55
COCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007568825	0	33	-1.0	-46.61	318.76	1.72	-44.89
CC1=CC(Br)=CC=C1CS(=O)(=O)NCC(=O)[O-]	REAL300007568826	0	28	-1.0	-45.95	274.21	3.45	-42.50
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568827	0	38	-1.0	-46.69	328.92	4.35	-42.34
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C=C1	REAL300007568828	0	37	-1.0	-44.72	342.26	5.41	-39.31
CCCCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300007568829	0	47	-1.0	-44.64	387.82	6.16	-38.48
COC1=CC(C(C)C)=C(S(=O)(=O)NCC(=O)[O-])C=C1C	REAL300007568830	0	38	-1.0	-46.00	316.89	3.67	-42.33
CCOCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300007568831	0	45	-1.0	-47.43	378.81	4.02	-43.41
O=C([O-])CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007568832	0	28	-1.0	-48.53	267.04	2.18	-46.35
CC1=CC(C)=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007568833	0	28	-1.0	-44.17	267.59	3.64	-40.53
O=C([O-])CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007568834	0	28	-1.0	-43.11	281.58	2.69	-40.42
O=C([O-])CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007568835	0	28	-1.0	-44.24	284.58	3.43	-40.81
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007568836	0	33	-1.0	-48.13	303.10	4.36	-43.77
O=C([O-])CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007568837	0	25	-1.0	-41.42	258.51	2.62	-38.80
O=C([O-])CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007568838	0	28	-1.0	-43.82	275.78	2.59	-41.23
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568839	0	32	-1.0	-43.78	309.56	2.32	-41.46
CN1C=C(S(=O)(=O)NCC(=O)[O-])C(C2CCOCC2)=N1	REAL300007568840	0	36	-1.0	-46.97	311.89	0.66	-46.31
O=C([O-])CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007568841	0	25	-1.0	-45.80	272.64	3.55	-42.25
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007568842	0	33	-1.0	-44.68	302.06	4.40	-40.28
CC1=CC(S(=O)(=O)NCC(=O)[O-])=CC(C)=C1Br	REAL300007568843	0	28	-1.0	-43.09	271.06	3.30	-39.79
O=C([O-])CNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007568844	0	26	-1.0	-44.82	266.56	3.35	-41.47
O=C([O-])CNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007568845	0	26	-1.0	-44.77	266.56	3.36	-41.41
O=C([O-])CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007568846	0	32	-1.0	-48.77	296.66	4.44	-44.33
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCC(=O)[O-])=CC=C21	REAL300007568847	0	44	-1.0	-45.61	342.95	5.73	-39.88
O=C([O-])CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007568848	0	26	-1.0	-46.85	262.07	2.30	-44.55
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007568849	0	31	-1.0	-43.93	292.23	2.03	-41.90
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568850	0	35	-1.0	-47.22	304.39	3.96	-43.26
O=C([O-])CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007568851	0	33	-1.0	-47.49	303.79	4.47	-43.02
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007568852	0	23	-1.0	-48.08	248.37	0.42	-47.66
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300007568853	0	31	-1.0	-41.93	305.86	3.94	-37.99
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007568854	0	32	-1.0	-44.48	304.29	5.48	-39.00
CCC1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1Br	REAL300007568855	0	28	-1.0	-42.70	272.41	3.42	-39.28
COCCC1=CC=C(OC)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007568856	0	36	-1.0	-49.00	310.46	1.88	-47.12
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=C(Br)C=C2)C=C1	REAL300007568857	0	33	-1.0	-44.20	323.34	5.02	-39.18
O=C([O-])CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007568858	0	28	-1.0	-45.57	278.20	1.38	-44.19
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007568859	0	37	-1.0	-45.25	315.25	1.93	-43.32
O=C([O-])CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007568860	0	27	-1.0	-45.93	266.51	3.80	-42.13
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007568861	0	36	-1.0	-45.12	322.18	5.12	-40.00
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C=C1	REAL300007568862	0	45	-1.0	-45.63	384.85	6.76	-38.87
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007568863	0	28	-1.0	-43.73	270.59	-0.30	-44.03
O=C([O-])CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300007568864	0	29	-1.0	-48.80	279.00	2.18	-46.62
CC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568865	0	28	-1.0	-53.97	262.55	4.65	-49.32
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007568866	0	29	-1.0	-56.19	272.97	3.94	-52.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007568867	0	31	-1.0	-59.68	295.27	1.07	-58.61
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007568868	0	29	-1.0	-43.84	278.72	3.33	-40.51
COC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300007568869	0	36	-1.0	-53.54	299.64	3.18	-50.36
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007568870	0	41	-1.0	-53.17	336.43	7.35	-45.82
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300007568871	0	25	-1.0	-53.69	243.13	3.97	-49.72
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007568872	0	25	-1.0	-43.98	254.08	4.17	-39.81
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC(=O)[O-]	REAL300007568873	0	35	-1.0	-66.68	317.04	0.14	-66.54
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007568874	0	34	-1.0	-67.02	319.60	1.75	-65.27
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007568875	0	30	-1.0	-56.37	287.50	4.15	-52.22
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007568876	0	28	-1.0	-56.41	279.00	4.94	-51.47
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007568877	0	42	-1.0	-57.42	372.59	2.73	-54.69
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007568878	0	34	-1.0	-55.96	299.61	4.76	-51.20
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007568879	0	38	-1.0	-58.66	332.14	6.16	-52.50
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007568880	0	33	-1.0	-65.74	300.43	2.99	-62.75
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007568881	0	31	-1.0	-42.74	294.30	4.54	-38.20
COC1=CC(Cl)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OC	REAL300007568882	0	33	-1.0	-52.29	299.40	3.06	-49.23
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(OC)C=C1Br	REAL300007568883	0	33	-1.0	-53.61	306.32	3.43	-50.18
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300007568884	0	28	-1.0	-41.44	272.26	4.75	-36.69
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007568885	0	31	-1.0	-41.54	271.40	5.57	-35.97
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300007568886	0	35	-1.0	-44.12	328.24	7.59	-36.53
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007568887	0	30	-1.0	-51.61	289.13	5.56	-46.05
COCCOC1=C(Cl)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300007568888	0	36	-1.0	-50.37	354.94	4.31	-46.06
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007568889	0	29	-1.0	-45.97	278.21	3.19	-42.78
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007568890	0	32	-1.0	-55.49	293.29	5.21	-50.28
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568891	0	40	-1.0	-54.42	332.16	5.03	-49.39
COCC1=CC=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007568892	0	36	-1.0	-58.58	311.54	3.18	-55.40
CC1=C(Br)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007568895	0	30	-1.0	-50.49	299.33	5.36	-45.13
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568896	0	36	-1.0	-58.69	315.83	3.81	-54.88
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300007568897	0	36	-1.0	-48.95	324.09	0.64	-48.31
CN(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007568898	0	43	-1.0	-52.30	321.00	5.26	-47.04
CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007568899	0	33	-1.0	-47.34	296.14	5.41	-41.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300007568900	0	43	-1.0	-61.60	369.66	6.21	-55.39
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007568901	0	36	-1.0	-54.16	311.12	2.11	-52.05
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568902	0	39	-1.0	-60.66	350.05	4.77	-55.89
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568903	0	39	-1.0	-59.99	343.72	4.84	-55.15
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007568904	0	40	-1.0	-61.42	350.78	5.02	-56.40
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007568905	0	32	-1.0	-51.66	302.79	3.85	-47.81
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300007568906	0	43	-1.0	-60.67	372.75	1.89	-58.78
COC1=CC(Br)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007568907	0	29	-1.0	-52.03	285.36	3.47	-48.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007568908	0	29	-1.0	-51.81	272.61	3.80	-48.01
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007568909	0	31	-1.0	-42.55	288.28	4.29	-38.26
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568910	0	31	-1.0	-50.60	280.35	5.05	-45.55
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568911	0	31	-1.0	-54.43	280.33	5.06	-49.37
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300007568912	0	31	-1.0	-40.99	287.18	5.07	-35.92
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007568913	0	32	-1.0	-58.37	298.93	4.09	-54.28
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300007568914	0	52	-1.0	-53.92	421.29	8.20	-45.72
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300007568915	0	39	-1.0	-43.00	343.83	1.48	-41.52
CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007568916	0	33	-1.0	-58.68	307.42	5.76	-52.92
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007568917	0	28	-1.0	-41.51	276.28	4.85	-36.66
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007568918	0	28	-1.0	-45.75	271.76	4.80	-40.95
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007568919	0	32	-1.0	-54.33	297.44	1.42	-52.91
CC1=CC(Br)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007568920	0	28	-1.0	-52.87	277.27	4.83	-48.04
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568921	0	28	-1.0	-40.78	261.44	4.70	-36.08
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300007568922	0	29	-1.0	-41.91	282.68	3.53	-38.38
COC1=CC(OC)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300007568923	0	33	-1.0	-47.29	301.13	3.31	-43.98
CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007568924	0	28	-1.0	-54.55	277.93	2.64	-51.91
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007568925	0	28	-1.0	-58.24	270.33	2.68	-55.56
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1I	REAL300007568926	0	28	-1.0	-41.41	278.11	5.20	-36.21
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007568927	0	37	-1.0	-57.94	338.24	2.76	-55.18
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007568928	0	42	-1.0	-46.64	369.51	3.26	-43.38
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007568929	0	42	-1.0	-62.53	377.46	2.06	-60.47
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007568930	0	33	-1.0	-44.62	311.68	0.32	-44.30
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300007568931	0	39	-1.0	-60.38	369.28	1.21	-59.17
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300007568932	0	40	-1.0	-60.84	351.25	1.10	-59.74
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300007568933	0	39	-1.0	-61.60	350.74	1.88	-59.72
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568934	0	36	-1.0	-72.75	318.61	3.46	-69.29
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300007568935	0	39	-1.0	-43.66	354.66	2.00	-41.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007568936	0	40	-1.0	-49.17	327.18	4.28	-44.89
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300007568937	0	36	-1.0	-43.79	333.16	1.22	-42.57
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007568938	0	40	-1.0	-42.12	346.48	3.99	-38.13
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007568939	0	37	-1.0	-59.87	328.65	3.45	-56.42
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007568940	0	34	-1.0	-57.92	314.93	1.97	-55.95
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568941	0	35	-1.0	-65.33	317.16	0.98	-64.35
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300007568942	0	32	-1.0	-45.69	304.53	4.45	-41.24
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007568943	0	39	-1.0	-45.81	340.95	6.63	-39.18
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007568944	0	29	-1.0	-51.81	282.94	4.25	-47.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007568945	0	31	-1.0	-53.32	315.04	1.67	-51.65
COC1=CC=C(Br)C(CS(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007568946	0	32	-1.0	-45.79	301.17	4.09	-41.70
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007568947	0	39	-1.0	-46.45	345.80	5.52	-40.93
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568948	0	32	-1.0	-55.68	295.96	4.65	-51.03
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C21	REAL300007568949	0	37	-1.0	-46.02	323.51	5.08	-40.94
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007568950	0	31	-1.0	-44.10	284.31	4.83	-39.27
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007568951	0	28	-1.0	-51.74	289.60	5.51	-46.23
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007568952	0	31	-1.0	-55.51	297.45	6.30	-49.21
CN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007568953	0	28	-1.0	-52.28	282.78	5.26	-47.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007568954	0	31	-1.0	-57.32	285.60	6.07	-51.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007568955	0	31	-1.0	-55.80	295.56	5.33	-50.47
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007568956	0	39	-1.0	-58.22	342.03	6.98	-51.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007568957	0	38	-1.0	-50.31	340.18	5.12	-45.19
CN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007568958	0	36	-1.0	-47.70	331.23	0.58	-47.12
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007568959	0	34	-1.0	-54.91	301.01	6.41	-48.50
CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007568960	0	31	-1.0	-42.46	292.66	5.46	-37.00
COC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300007568961	0	32	-1.0	-51.95	286.44	3.84	-48.11
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007568962	0	34	-1.0	-50.96	315.69	1.75	-49.21
CSC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300007568963	0	29	-1.0	-45.82	287.95	5.02	-40.80
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007568964	0	33	-1.0	-51.86	305.12	2.14	-49.72
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007568965	0	36	-1.0	-49.83	330.47	3.40	-46.43
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007568966	0	31	-1.0	-52.34	301.16	6.47	-45.87
CCC1=CC(CC)=C(S(=O)(=O)N(C)CC(=O)[O-])C(CC)=C1	REAL300007568967	0	43	-1.0	-42.08	328.33	7.72	-34.36
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568968	1	40	-1.0	-55.45	343.47	0.72	-54.73
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007568969	0	31	-1.0	-50.12	302.58	1.66	-48.46
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007568970	0	34	-1.0	-64.44	300.21	7.37	-57.07
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007568972	0	33	-1.0	-46.66	302.24	4.81	-41.85
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007568973	0	32	-1.0	-53.41	306.37	3.78	-49.63
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007568974	0	25	-1.0	-50.13	266.54	3.77	-46.36
COC1=CC=C2C=C(S(=O)(=O)N(C)CC(=O)[O-])CCC2=C1	REAL300007568975	0	37	-1.0	-46.07	311.46	5.12	-40.95
CN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007568976	0	36	-1.0	-65.03	307.87	0.66	-64.37
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C12	REAL300007568977	0	40	-1.0	-55.42	357.35	6.85	-48.57
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C12	REAL300007568978	0	44	-1.0	-51.97	375.48	4.36	-47.61
CCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007568979	0	33	-1.0	-50.60	295.21	5.38	-45.22
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007568980	0	25	-1.0	-50.93	255.86	4.17	-46.76
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568981	0	32	-1.0	-56.11	299.46	5.00	-51.11
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007568982	0	31	-1.0	-41.71	288.27	4.29	-37.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300007568983	0	41	-1.0	-56.32	362.93	1.12	-55.20
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007568984	0	42	-1.0	-55.49	371.33	3.26	-52.23
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007568985	0	36	-1.0	-55.72	330.14	1.55	-54.17
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300007568986	0	29	-1.0	-45.83	282.67	3.52	-42.31
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007568987	0	31	-1.0	-48.25	311.77	5.60	-42.65
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300007568988	0	28	-1.0	-41.65	272.27	4.74	-36.91
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)=C1	REAL300007568989	0	39	-1.0	-52.83	344.68	7.07	-45.76
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007568990	0	29	-1.0	-50.39	280.55	3.34	-47.05
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007568991	0	34	-1.0	-46.11	295.54	3.49	-42.62
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568992	0	41	-1.0	-57.80	332.61	5.78	-52.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300007568993	0	32	-1.0	-55.27	309.40	5.96	-49.31
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568994	0	29	-1.0	-55.54	277.75	4.08	-51.46
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007568995	0	43	-1.0	-44.29	330.27	7.20	-37.09
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OCC	REAL300007568996	0	39	-1.0	-44.99	335.19	4.60	-40.39
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007568997	0	30	-1.0	-57.40	288.81	-1.50	-58.90
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300007568998	0	33	-1.0	-52.05	285.95	5.16	-46.89
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007568999	0	31	-1.0	-65.15	282.97	4.57	-60.58
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007569000	0	30	-1.0	-54.06	287.01	-1.50	-55.56
COC1=CC=C(F)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569213	0	35	-1.0	-55.63	305.41	4.81	-50.82
CC1=C(Br)C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007569214	0	36	-1.0	-52.57	341.87	6.63	-45.94
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569215	0	42	-1.0	-56.51	350.60	4.87	-51.64
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C	REAL300007569216	0	42	-1.0	-57.34	367.85	1.95	-55.39
CN(CCCC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007569217	0	49	-1.0	-53.01	363.55	6.55	-46.46
CC1=NC2=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=CC=C2C=C1	REAL300007569218	0	39	-1.0	-61.67	331.04	6.46	-55.21
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007569219	0	39	-1.0	-51.02	339.15	6.71	-44.31
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007569220	0	42	-1.0	-55.49	353.67	3.40	-52.09
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569221	0	45	-1.0	-59.16	392.61	6.05	-53.11
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569222	0	45	-1.0	-58.55	381.02	6.00	-52.55
CC(COC1CCCC1)CS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569223	0	47	-1.0	-46.53	375.04	6.18	-40.35
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007569224	0	46	-1.0	-60.26	393.32	6.30	-53.96
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569225	0	38	-1.0	-52.95	345.34	5.13	-47.82
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007569226	0	39	-1.0	-54.15	334.55	2.62	-51.53
COC1=CC(Br)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569227	0	35	-1.0	-52.78	327.31	4.79	-47.99
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007569228	0	35	-1.0	-53.33	315.16	5.08	-48.25
COC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007569229	0	37	-1.0	-53.90	332.04	5.61	-48.29
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569230	0	37	-1.0	-52.07	322.37	6.35	-45.72
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569231	0	37	-1.0	-55.30	322.35	6.36	-48.94
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300007569232	0	37	-1.0	-51.47	330.95	6.38	-45.09
CCOC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569233	0	38	-1.0	-52.81	325.74	5.01	-47.80
COCCN1C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=N1	REAL300007569234	0	38	-1.0	-54.44	336.27	2.48	-51.96
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007569235	0	38	-1.0	-58.92	341.47	5.37	-53.55
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1C	REAL300007569236	0	58	-1.0	-54.94	463.84	9.49	-45.45
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1F	REAL300007569237	0	45	-1.0	-56.44	397.00	3.29	-53.15
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007569238	0	39	-1.0	-51.19	347.70	6.99	-44.20
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007569239	0	36	-1.0	-56.06	317.70	5.23	-50.83
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007569240	0	34	-1.0	-47.28	319.28	6.15	-41.13
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007569241	0	34	-1.0	-50.64	314.77	6.10	-44.54
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007569242	0	38	-1.0	-56.89	339.07	2.66	-54.23
CC1=CC(Br)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569243	0	34	-1.0	-52.93	319.22	6.15	-46.78
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569244	0	34	-1.0	-47.21	309.00	6.18	-41.03
COCC1=CC=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569245	0	38	-1.0	-55.73	324.90	5.12	-50.61
COC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1Br	REAL300007569246	0	35	-1.0	-52.13	326.44	4.84	-47.29
COC1=CC(OC)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Cl	REAL300007569247	0	39	-1.0	-52.41	344.38	4.62	-47.79
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007569248	0	34	-1.0	-56.63	320.47	3.93	-52.70
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007569249	0	34	-1.0	-56.65	314.44	3.76	-52.89
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007569250	0	42	-1.0	-53.75	353.98	6.12	-47.63
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007569251	0	34	-1.0	-57.27	312.88	3.97	-53.30
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1I	REAL300007569252	0	34	-1.0	-53.50	321.87	6.50	-47.00
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569253	0	43	-1.0	-58.93	380.78	4.04	-54.89
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569254	0	48	-1.0	-47.84	405.33	4.34	-43.50
CSC1=CC=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569255	0	35	-1.0	-54.82	302.86	5.50	-49.32
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569256	0	48	-1.0	-62.89	420.01	3.34	-59.55
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007569257	0	39	-1.0	-58.05	355.48	1.64	-56.41
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])S1	REAL300007569258	0	45	-1.0	-61.01	411.82	2.49	-58.52
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(OC)=C1	REAL300007569259	0	46	-1.0	-60.62	393.80	2.38	-58.24
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(F)=C1	REAL300007569260	0	45	-1.0	-61.19	393.28	3.17	-58.02
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569261	0	42	-1.0	-72.20	360.99	4.73	-67.47
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1F	REAL300007569262	0	45	-1.0	-56.88	398.44	3.32	-53.56
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007569263	0	46	-1.0	-54.29	376.36	5.99	-48.30
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1F	REAL300007569264	0	42	-1.0	-57.13	376.94	2.53	-54.60
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007569265	0	46	-1.0	-57.05	390.27	5.30	-51.75
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007569266	0	43	-1.0	-61.10	371.02	4.74	-56.36
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569267	0	40	-1.0	-52.08	356.55	3.21	-48.87
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569268	0	41	-1.0	-65.03	359.71	2.26	-62.77
CCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Br	REAL300007569269	0	38	-1.0	-52.89	348.29	5.76	-47.13
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007569270	0	45	-1.0	-49.76	382.56	7.86	-41.90
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007569271	0	35	-1.0	-53.18	325.49	5.53	-47.65
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007569272	0	37	-1.0	-55.19	357.58	2.95	-52.24
COC1=CC=C(Br)C(CS(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569273	0	38	-1.0	-50.20	344.18	5.40	-44.80
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007569274	0	45	-1.0	-51.44	387.41	6.75	-44.69
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569275	0	38	-1.0	-55.26	338.51	5.92	-49.34
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C21	REAL300007569276	0	43	-1.0	-55.14	367.23	6.40	-48.74
CCS(=O)(=O)NCCS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569277	0	38	-1.0	-56.71	338.08	-0.44	-57.15
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007569278	0	37	-1.0	-54.09	329.24	6.17	-47.92
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007569279	0	34	-1.0	-52.84	332.15	6.80	-46.04
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007569280	0	37	-1.0	-54.96	340.00	7.59	-47.37
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007569281	0	34	-1.0	-47.74	323.07	6.55	-41.19
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007569282	0	37	-1.0	-56.44	327.75	7.37	-49.07
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007569283	0	37	-1.0	-56.17	338.11	6.61	-49.56
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007569284	0	42	-1.0	-50.98	355.37	6.15	-44.83
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007569285	0	45	-1.0	-56.48	384.57	8.26	-48.22
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007569286	0	44	-1.0	-56.55	381.80	6.35	-50.20
CN(CCCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007569287	0	42	-1.0	-54.85	374.23	1.88	-52.97
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007569288	0	40	-1.0	-54.40	343.56	7.70	-46.70
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1N(C)C	REAL300007569289	0	42	-1.0	-53.36	351.12	5.52	-47.84
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007569290	0	37	-1.0	-47.33	335.67	6.76	-40.57
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007569291	0	36	-1.0	-57.90	311.20	1.83	-56.07
CN(CCCC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300007569292	0	44	-1.0	-48.36	358.97	5.28	-43.08
COC1=CC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Cl	REAL300007569293	0	38	-1.0	-53.58	328.70	5.14	-48.44
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007569294	0	40	-1.0	-56.41	358.68	3.05	-53.36
CSC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Cl	REAL300007569295	0	35	-1.0	-52.70	331.72	6.34	-46.36
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569296	0	43	-1.0	-54.28	345.76	5.17	-49.11
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007569297	0	39	-1.0	-55.35	347.67	3.43	-51.92
CCC1=NOC2=NC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C12	REAL300007569298	0	38	-1.0	-56.02	338.36	2.54	-53.48
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007569299	0	42	-1.0	-53.05	373.01	4.69	-48.36
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007569300	0	36	-1.0	-54.62	320.88	3.99	-50.63
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007569301	0	37	-1.0	-48.48	341.53	7.65	-40.83
CCC1=CC(CC)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(CC)=C1	REAL300007569302	0	49	-1.0	-47.42	377.57	9.18	-38.24
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569303	1	46	-1.0	-58.05	385.85	2.03	-56.02
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007569304	0	38	-1.0	-61.27	322.30	4.91	-56.36
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007569305	0	37	-1.0	-52.47	345.12	2.94	-49.53
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007569306	0	40	-1.0	-63.87	342.60	8.66	-55.21
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=C1F	REAL300007569307	0	38	-1.0	-53.77	317.58	4.62	-49.15
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007569308	0	40	-1.0	-55.15	335.94	6.21	-48.94
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007569310	0	39	-1.0	-53.70	345.95	6.16	-47.54
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569311	0	38	-1.0	-54.29	348.92	5.06	-49.23
CC1=CC=C(CS(=O)(=O)N(C)CCCC(=O)[O-])C(F)=C1	REAL300007569312	0	37	-1.0	-49.17	324.74	6.25	-42.92
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007569314	0	31	-1.0	-51.87	309.08	5.06	-46.81
CN(CCCC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007569315	0	44	-1.0	-57.64	364.76	8.19	-49.45
CN(CCCC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007569316	0	42	-1.0	-52.87	356.11	5.54	-47.33
CN(CCCC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007569317	0	40	-1.0	-66.08	337.15	2.07	-64.01
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007569318	0	34	-1.0	-53.68	312.68	5.33	-48.35
CC1=C(CCS(=O)(=O)N(C)CCCC(=O)[O-])SC=N1	REAL300007569319	0	36	-1.0	-49.81	323.00	4.04	-45.77
COC1=CC=C2C=C(S(=O)(=O)N(C)CCCC(=O)[O-])CCC2=C1	REAL300007569320	0	43	-1.0	-50.92	354.23	6.36	-44.56
CN(CCCC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007569321	0	42	-1.0	-55.24	347.48	1.94	-53.30
CN(CCCC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300007569322	0	40	-1.0	-54.64	329.74	6.03	-48.61
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C12	REAL300007569323	0	46	-1.0	-57.74	399.90	8.14	-49.60
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C12	REAL300007569324	0	50	-1.0	-54.63	418.03	5.65	-48.98
CCC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007569325	0	39	-1.0	-54.53	338.97	6.70	-47.83
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007569326	0	31	-1.0	-52.04	298.41	5.45	-46.59
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007569327	0	33	-1.0	-49.02	302.59	5.46	-43.56
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007569328	0	37	-1.0	-50.95	320.28	7.05	-43.90
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007569329	0	33	-1.0	-57.03	302.60	5.46	-51.57
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569330	0	36	-1.0	-55.81	311.59	5.95	-49.86
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007569331	0	33	-1.0	-70.64	295.91	6.76	-63.88
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569332	0	38	-1.0	-55.24	342.00	6.27	-48.97
CCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569333	0	38	-1.0	-54.26	328.46	5.05	-49.21
CC1=CC(C)=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1C	REAL300007569334	0	43	-1.0	-52.10	331.08	7.24	-44.86
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569335	0	46	-1.0	-53.64	359.57	7.60	-46.04
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007569336	0	34	-1.0	-51.39	313.45	5.81	-45.58
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007569337	0	34	-1.0	-60.49	304.78	6.38	-54.11
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007569338	0	37	-1.0	-59.47	332.03	5.61	-53.86
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007569339	0	43	-1.0	-53.63	353.32	7.15	-46.48
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569340	0	48	-1.0	-56.76	413.87	4.54	-52.22
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569341	0	42	-1.0	-57.32	373.44	2.79	-54.53
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Br	REAL300007569342	0	35	-1.0	-53.23	326.42	4.84	-48.39
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007569343	0	37	-1.0	-50.54	354.31	6.89	-43.65
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1Br	REAL300007569344	0	34	-1.0	-51.72	316.02	6.05	-45.67
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2)=C1	REAL300007569345	0	45	-1.0	-53.95	387.22	8.35	-45.60
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007569346	0	35	-1.0	-51.85	323.10	4.62	-47.23
CC1=C(C)C(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=C1C	REAL300007569347	0	46	-1.0	-48.89	338.04	7.40	-41.49
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007569348	0	40	-1.0	-50.27	337.17	4.73	-45.54
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569349	0	47	-1.0	-56.48	375.16	7.05	-49.43
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300007569350	0	38	-1.0	-55.95	351.94	7.24	-48.71
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007569351	0	36	-1.0	-54.60	320.74	6.06	-48.54
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569352	0	35	-1.0	-55.18	320.30	5.36	-49.82
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569353	0	49	-1.0	-48.49	370.82	8.38	-40.11
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007569354	0	34	-1.0	-52.17	315.85	5.83	-46.34
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007569355	0	41	-1.0	-49.10	337.11	7.28	-41.82
COC1=CC=C(OC)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569356	0	39	-1.0	-57.74	328.47	4.03	-53.71
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1OC	REAL300007569357	0	39	-1.0	-54.88	335.25	4.07	-50.81
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007569358	0	39	-1.0	-49.30	324.73	7.06	-42.24
CC(C)CCC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569359	0	46	-1.0	-53.88	380.58	8.33	-45.55
CCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1OCC	REAL300007569360	0	45	-1.0	-54.98	378.95	5.91	-49.07
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007569361	0	36	-1.0	-58.56	331.36	-0.22	-58.78
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1C	REAL300007569362	0	39	-1.0	-54.65	327.92	6.47	-48.18
CC1=CC2=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C2N=C1	REAL300007569363	0	39	-1.0	-53.77	332.02	6.60	-47.17
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007569364	0	37	-1.0	-66.23	325.22	5.86	-60.37
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569365	0	35	-1.0	-53.82	315.74	5.26	-48.56
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007569366	0	36	-1.0	-60.91	328.63	-0.26	-61.17
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007569367	0	43	-1.0	-52.00	382.46	2.59	-49.41
CN(CCCC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007569368	0	39	-1.0	-55.49	343.57	6.42	-49.07
CN(CCCC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007569369	0	40	-1.0	-52.58	333.61	6.17	-46.41
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CN=C12	REAL300007569370	0	39	-1.0	-55.57	326.21	5.82	-49.75
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C	REAL300007569371	0	39	-1.0	-67.32	334.98	7.97	-59.35
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569372	0	42	-1.0	-52.23	369.98	2.79	-49.44
CN(CCCC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007569373	0	43	-1.0	-51.96	360.91	4.11	-47.85
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007569374	0	37	-1.0	-64.25	335.08	2.30	-61.95
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007569375	0	41	-1.0	-51.22	342.35	8.54	-42.68
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007569376	0	37	-1.0	-52.67	315.82	7.25	-45.42
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007569377	0	41	-1.0	-50.78	348.54	8.20	-42.58
CN(C)C1=CC=CC2=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=CC=C12	REAL300007569378	0	45	-1.0	-51.73	369.25	7.10	-44.63
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007569379	0	32	-1.0	-58.42	297.38	3.33	-55.09
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569380	0	35	-1.0	-55.22	315.74	5.26	-49.96
CCC(C)(C)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569381	0	46	-1.0	-48.61	364.80	7.58	-41.03
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Cl	REAL300007569382	0	34	-1.0	-53.57	311.99	5.97	-47.60
CC(C)OC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569383	0	41	-1.0	-53.71	346.38	5.67	-48.04
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007569384	0	36	-1.0	-63.13	334.49	7.57	-55.56
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007569385	0	36	-1.0	-61.26	310.74	5.93	-55.33
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007569386	0	42	-1.0	-53.68	379.86	8.18	-45.50
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569387	0	37	-1.0	-53.38	327.23	5.41	-47.97
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1F	REAL300007569388	0	35	-1.0	-53.78	312.23	4.24	-49.54
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007569389	0	42	-1.0	-48.66	379.77	8.15	-40.51
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2)C=C1	REAL300007569390	0	46	-1.0	-50.81	392.57	6.93	-43.88
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C(C)C)=C1	REAL300007569391	0	58	-1.0	-47.95	431.57	10.63	-37.32
CC(C)OC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CC=C12	REAL300007569392	0	47	-1.0	-52.71	384.59	8.19	-44.52
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007569393	0	34	-1.0	-46.22	329.90	6.51	-39.71
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CC=C12	REAL300007569394	0	41	-1.0	-52.66	344.13	6.59	-46.07
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007569395	0	47	-1.0	-50.73	393.94	2.47	-48.26
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569396	0	36	-1.0	-48.69	320.14	6.35	-42.34
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569397	0	36	-1.0	-47.87	313.62	6.18	-41.69
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569398	0	39	-1.0	-54.88	337.43	7.37	-47.51
CC(C)CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569399	0	43	-1.0	-48.25	355.58	7.47	-40.78
COCCC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569400	0	41	-1.0	-54.47	353.68	5.34	-49.13
COCCN(CCOC)S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569401	0	43	-1.0	-46.88	349.67	2.00	-44.88
CC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569402	0	34	-1.0	-54.54	300.01	5.86	-48.68
COC1=C(C)C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C	REAL300007569403	0	41	-1.0	-53.12	347.74	5.66	-47.46
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569404	0	47	-1.0	-53.69	389.03	7.15	-46.54
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007569405	0	45	-1.0	-53.01	370.56	7.06	-45.95
CC(C)COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569406	0	44	-1.0	-53.94	370.06	6.55	-47.39
CCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569407	0	41	-1.0	-53.96	349.96	5.85	-48.11
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Cl	REAL300007569408	0	35	-1.0	-53.20	322.04	4.72	-48.48
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007569409	0	35	-1.0	-53.77	331.80	5.00	-48.77
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C	REAL300007569410	0	38	-1.0	-53.71	326.09	4.91	-48.80
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1OC(C)C	REAL300007569411	0	44	-1.0	-53.64	365.86	6.46	-47.18
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=C1	REAL300007569412	0	38	-1.0	-53.59	312.82	4.58	-49.01
COCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569413	0	42	-1.0	-56.50	362.09	4.32	-52.18
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569414	0	34	-1.0	-47.45	313.20	6.30	-41.15
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1C	REAL300007569415	0	39	-1.0	-54.37	318.20	7.09	-47.28
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569416	0	40	-1.0	-62.73	344.06	2.80	-59.93
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007569417	0	43	-1.0	-57.44	386.13	2.67	-54.77
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007569418	0	34	-1.0	-49.96	306.29	6.04	-43.92
COC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1F	REAL300007569419	0	35	-1.0	-52.75	312.25	4.24	-48.51
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007569420	0	41	-1.0	-49.47	348.58	8.20	-41.27
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007569421	0	34	-1.0	-56.45	333.18	6.63	-49.82
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])S2)=CS1	REAL300007569422	0	37	-1.0	-54.62	355.96	5.42	-49.20
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007569423	0	51	-1.0	-53.77	411.69	8.44	-45.33
CNC(=O)C1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CN1C	REAL300007569424	0	39	-1.0	-52.33	338.91	2.43	-49.90
COC1=CC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=C1	REAL300007569425	0	41	-1.0	-48.30	324.08	5.35	-42.95
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007569426	0	42	-1.0	-55.00	360.73	8.98	-46.02
COC1=CC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C	REAL300007569427	0	41	-1.0	-54.99	332.85	5.38	-49.61
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300007569428	0	39	-1.0	-51.89	314.17	5.74	-46.15
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007569429	0	36	-1.0	-51.98	311.00	5.49	-46.49
CCN1C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007569430	0	36	-1.0	-56.56	320.31	5.40	-51.16
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007569431	0	38	-1.0	-51.29	345.30	5.47	-45.82
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007569432	0	45	-1.0	-51.38	385.63	8.06	-43.32
CCC(=O)C1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569433	0	39	-1.0	-59.94	339.60	6.13	-53.81
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007569434	0	41	-1.0	-55.36	362.49	6.43	-48.93
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569435	0	53	-1.0	-45.76	409.93	7.65	-38.11
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007569436	0	39	-1.0	-59.48	350.68	1.53	-57.95
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007569437	0	46	-1.0	-52.47	396.30	3.92	-48.55
CCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CC=C12	REAL300007569438	0	44	-1.0	-52.53	365.99	7.51	-45.02
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569439	0	41	-1.0	-56.86	342.13	6.32	-50.54
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007569440	0	36	-1.0	-63.17	324.79	5.04	-58.13
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007569441	0	38	-1.0	-56.29	337.08	5.97	-50.32
CCOCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569442	0	45	-1.0	-56.50	383.94	5.29	-51.21
CCCCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569443	0	47	-1.0	-53.76	392.96	7.41	-46.35
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007569444	0	41	-1.0	-56.95	333.45	7.68	-49.27
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007569445	0	35	-1.0	-51.98	333.49	6.29	-45.69
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007569446	0	39	-1.0	-57.43	337.87	6.07	-51.36
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007569447	0	36	-1.0	-57.05	322.62	4.96	-52.09
CCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=C1	REAL300007569448	0	41	-1.0	-53.43	334.68	5.50	-47.93
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007569449	0	35	-1.0	-55.45	308.77	5.01	-50.44
CSC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569450	0	35	-1.0	-54.15	317.31	5.85	-48.30
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007569451	0	37	-1.0	-47.44	337.04	6.56	-40.88
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569452	0	42	-1.0	-47.35	341.79	6.44	-40.91
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007569453	0	37	-1.0	-56.74	313.78	4.52	-52.22
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007569454	0	36	-1.0	-55.37	306.10	4.97	-50.40
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007569455	0	43	-1.0	-51.00	364.05	6.65	-44.35
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(F)(F)F	REAL300007569456	0	37	-1.0	-54.19	330.94	6.39	-47.80
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007569457	0	37	-1.0	-56.22	349.35	5.63	-50.59
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007569458	0	40	-1.0	-47.93	339.17	6.39	-41.54
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C12	REAL300007569459	0	39	-1.0	-54.29	342.84	4.60	-49.69
COCC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569460	0	38	-1.0	-49.81	329.44	4.51	-45.30
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007569461	0	42	-1.0	-50.79	351.41	6.18	-44.61
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007569462	0	34	-1.0	-50.93	311.56	5.99	-44.94
COC1=CC(OC)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Br	REAL300007569463	0	39	-1.0	-52.35	348.77	4.74	-47.61
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007569464	0	39	-1.0	-64.93	340.36	5.92	-59.01
CN(CCCC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007569465	0	34	-1.0	-56.12	326.67	6.50	-49.62
CC1CC2=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C2O1	REAL300007569466	0	39	-1.0	-53.83	333.56	5.47	-48.36
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569467	0	43	-1.0	-51.86	327.36	7.64	-44.22
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569468	0	43	-1.0	-58.53	356.18	3.40	-55.13
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007569469	0	42	-1.0	-54.20	382.52	8.18	-46.02
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007569470	0	37	-1.0	-55.43	342.94	5.56	-49.87
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007569471	0	37	-1.0	-55.95	359.67	6.08	-49.87
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2)=CO1	REAL300007569472	0	40	-1.0	-57.03	350.75	3.84	-53.19
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007569473	0	34	-1.0	-62.69	318.45	3.63	-59.06
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007569474	0	34	-1.0	-53.49	302.56	3.53	-49.96
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007569475	0	39	-1.0	-49.02	328.09	5.42	-43.60
CC1=CC=C(N2C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=N2)C=C1	REAL300007569476	0	41	-1.0	-55.19	359.09	6.63	-48.56
CC1CC2=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC(Cl)=C2O1	REAL300007569477	0	39	-1.0	-46.86	348.17	5.91	-40.95
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007569478	0	36	-1.0	-52.22	320.73	6.05	-46.17
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=N1	REAL300007569479	0	42	-1.0	-59.27	364.25	5.61	-53.66
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007569480	0	33	-1.0	-54.30	308.51	4.35	-49.95
CN(C)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569481	0	39	-1.0	-55.45	328.21	5.21	-50.24
CC1=CC2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2C=C1	REAL300007569482	0	40	-1.0	-50.96	341.62	7.71	-43.25
CN(C)C1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569483	0	39	-1.0	-54.71	328.04	5.26	-49.45
CN(CCCC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007569484	0	36	-1.0	-56.01	321.34	4.88	-51.13
CN(CCCC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007569485	0	37	-1.0	-47.83	336.21	6.84	-40.99
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007569486	0	43	-1.0	-55.32	350.73	5.42	-49.90
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007569487	0	33	-1.0	-52.76	311.24	4.10	-48.66
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569488	0	39	-1.0	-52.14	326.39	5.31	-46.83
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569489	0	39	-1.0	-53.31	328.45	6.50	-46.81
CC1=CC=C(C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1[N+](=O)[O-]	REAL300007569490	0	39	-1.0	-55.79	322.26	7.48	-48.31
CC1=CC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007569491	0	39	-1.0	-56.60	332.26	6.82	-49.78
COC1=CC=C(CCS(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569492	0	41	-1.0	-50.08	348.99	5.62	-44.46
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007569493	0	40	-1.0	-53.58	349.50	6.51	-47.07
COC1=CC(OC)=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569494	0	39	-1.0	-55.65	335.49	3.47	-52.18
CC1=CC2=C(C=C1S(=O)(=O)N(C)CCCC(=O)[O-])OCO2	REAL300007569495	0	37	-1.0	-53.71	309.18	3.94	-49.77
COC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1Cl	REAL300007569496	0	35	-1.0	-52.30	322.05	4.72	-47.58
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007569497	0	39	-1.0	-53.88	321.73	6.34	-47.54
CCC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1CC	REAL300007569498	0	43	-1.0	-53.60	353.58	7.43	-46.17
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569499	0	39	-1.0	-48.34	322.87	6.72	-41.62
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569500	0	41	-1.0	-55.91	334.04	6.39	-49.52
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007569501	0	32	-1.0	-48.00	297.00	2.72	-45.28
CN(C)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=N1	REAL300007569502	0	38	-1.0	-55.41	325.29	4.69	-50.72
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007569503	0	37	-1.0	-53.95	326.77	6.31	-47.64
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007569504	0	34	-1.0	-55.88	302.42	3.50	-52.38
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC(C)=C1F	REAL300007569505	0	37	-1.0	-51.69	323.55	6.20	-45.49
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007569506	0	38	-1.0	-59.72	332.51	4.62	-55.10
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007569507	0	33	-1.0	-59.03	303.40	4.63	-54.40
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007569508	0	34	-1.0	-56.91	316.49	6.13	-50.78
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1Cl	REAL300007569509	0	34	-1.0	-51.71	311.99	5.96	-45.75
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007569510	0	37	-1.0	-50.71	322.51	5.78	-44.93
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2)=N1	REAL300007569511	0	40	-1.0	-49.83	360.60	6.27	-43.56
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007569512	0	39	-1.0	-51.16	322.44	6.14	-45.02
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007569513	0	38	-1.0	-61.61	341.62	2.72	-58.89
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007569514	0	40	-1.0	-54.91	332.45	5.24	-49.67
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007569515	0	34	-1.0	-47.84	317.86	6.05	-41.79
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569516	0	56	-1.0	-53.76	457.45	9.75	-44.01
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569517	0	41	-1.0	-55.13	363.50	7.08	-48.05
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569518	0	44	-1.0	-54.47	366.55	6.53	-47.94
COC(CS(=O)(=O)N(C)CCCC(=O)[O-])C1CCCC1	REAL300007569519	0	44	-1.0	-55.86	353.37	5.21	-50.65
COC(CS(=O)(=O)N(C)CCCC(=O)[O-])C1CCCCC1	REAL300007569520	0	47	-1.0	-56.30	367.69	5.91	-50.39
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007569521	0	45	-1.0	-54.67	394.00	8.22	-46.45
CCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(C)C	REAL300007569522	0	50	-1.0	-53.33	407.97	7.92	-45.41
CCC1=NC(S(=O)(=O)N(C)CCCC(=O)[O-])=CN1CC1CC1	REAL300007569523	0	44	-1.0	-58.81	370.63	6.66	-52.15
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007569524	0	34	-1.0	-50.88	314.71	4.27	-46.61
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007569525	0	39	-1.0	-54.36	331.60	6.85	-47.51
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007569526	0	38	-1.0	-51.86	319.19	4.64	-47.22
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007569527	0	44	-1.0	-49.29	372.09	7.00	-42.29
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007569528	0	34	-1.0	-50.28	319.57	3.45	-46.83
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007569529	0	42	-1.0	-48.45	375.01	8.89	-39.56
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007569530	0	41	-1.0	-57.21	336.08	8.00	-49.21
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007569531	0	51	-1.0	-53.91	429.57	9.66	-44.25
CCC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(C)C=C1OC	REAL300007569532	0	44	-1.0	-53.56	354.38	6.07	-47.49
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007569533	0	37	-1.0	-51.96	348.32	6.70	-45.26
CN(CCCC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007569534	0	33	-1.0	-55.59	304.95	3.76	-51.83
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300007569535	0	40	-1.0	-50.00	321.09	7.71	-42.29
CC(C)OC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=N1	REAL300007569536	0	40	-1.0	-52.34	345.69	3.41	-48.93
COC1=C(F)C=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569537	0	35	-1.0	-53.73	307.16	4.94	-48.79
CCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(C)C	REAL300007569538	0	47	-1.0	-53.73	386.48	7.12	-46.61
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007569539	0	43	-1.0	-53.48	354.74	7.12	-46.36
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007569540	0	50	-1.0	-57.01	401.63	9.42	-47.59
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007569541	0	41	-1.0	-52.73	330.65	4.72	-48.01
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007569542	0	43	-1.0	-50.22	349.00	5.24	-44.98
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007569543	0	41	-1.0	-53.62	343.94	5.22	-48.40
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007569544	0	34	-1.0	-50.34	303.84	3.60	-46.74
COC1=CC=C(F)C=C1CS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569545	0	38	-1.0	-50.89	332.56	4.97	-45.92
C=CCCC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569546	0	41	-1.0	-54.14	354.32	7.61	-46.53
CCCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(C)C	REAL300007569547	0	53	-1.0	-52.84	429.47	8.70	-44.14
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007569548	0	35	-1.0	-53.67	325.15	6.57	-47.10
CCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(C)(C)C	REAL300007569549	0	53	-1.0	-48.35	418.39	8.50	-39.85
CCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1CC	REAL300007569550	0	47	-1.0	-52.97	391.06	7.38	-45.59
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569551	0	37	-1.0	-46.53	311.35	6.57	-39.96
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569552	0	37	-1.0	-46.53	335.07	6.73	-39.80
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007569553	0	35	-1.0	-49.95	322.76	6.48	-43.47
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569554	0	47	-1.0	-54.86	390.65	7.64	-47.22
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007569555	0	36	-1.0	-56.78	306.46	5.04	-51.74
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C2)C=C1	REAL300007569556	0	46	-1.0	-50.24	403.27	8.65	-41.59
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007569557	0	38	-1.0	-55.21	326.41	4.54	-50.67
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007569558	0	38	-1.0	-49.54	322.09	4.69	-44.85
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007569559	0	41	-1.0	-54.40	347.32	5.42	-48.98
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007569560	0	42	-1.0	-57.20	349.26	2.93	-54.27
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007569561	0	37	-1.0	-53.85	343.35	5.77	-48.08
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300007569562	0	38	-1.0	-53.73	315.94	4.82	-48.91
CCCCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(C)C	REAL300007569563	0	56	-1.0	-53.22	450.97	9.48	-43.74
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C	REAL300007569564	0	47	-1.0	-54.87	371.00	6.49	-48.38
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569565	0	41	-1.0	-55.91	344.04	6.31	-49.60
CCOCCOC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C(C)C	REAL300007569566	0	54	-1.0	-55.55	441.96	7.34	-48.21
CC1CC2=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C2O1	REAL300007569567	0	39	-1.0	-58.11	329.68	5.57	-52.54
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007569568	0	39	-1.0	-52.49	345.18	4.53	-47.96
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007569569	0	37	-1.0	-51.45	324.68	5.33	-46.12
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569570	0	36	-1.0	-62.95	317.20	4.48	-58.47
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007569571	0	34	-1.0	-52.64	313.16	6.22	-46.42
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007569572	0	38	-1.0	-50.70	325.52	4.56	-46.14
CC1=CC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=C1F	REAL300007569573	0	40	-1.0	-52.33	323.23	6.87	-45.46
COC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1OC	REAL300007569574	0	39	-1.0	-55.57	330.17	4.68	-50.89
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007569575	0	44	-1.0	-51.90	358.53	5.59	-46.31
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569576	0	43	-1.0	-53.96	351.76	5.35	-48.61
CCCCN1C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C)=N1	REAL300007569577	0	43	-1.0	-49.82	366.96	5.60	-44.22
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007569578	0	38	-1.0	-52.34	325.00	4.55	-47.79
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007569579	0	35	-1.0	-50.20	313.63	4.37	-45.83
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007569580	0	36	-1.0	-65.26	317.38	3.39	-61.87
CC1=CC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1Br	REAL300007569581	0	37	-1.0	-48.67	322.59	6.50	-42.17
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007569582	0	37	-1.0	-53.95	345.33	5.96	-47.99
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007569583	0	41	-1.0	-54.84	343.52	5.07	-49.77
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569584	0	49	-1.0	-54.48	381.61	8.34	-46.14
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007569585	0	37	-1.0	-51.11	345.59	6.66	-44.45
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007569586	0	41	-1.0	-54.38	350.50	5.52	-48.86
CN(CCCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007569587	0	35	-1.0	-47.14	307.07	5.82	-41.32
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007569588	0	42	-1.0	-56.03	369.09	7.76	-48.27
COC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007569589	0	40	-1.0	-55.93	337.81	6.05	-49.88
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007569590	0	38	-1.0	-53.30	320.99	4.44	-48.86
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007569591	0	40	-1.0	-53.92	326.13	4.64	-49.28
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007569592	0	40	-1.0	-54.74	341.61	4.55	-50.19
CN(CCCC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007569593	0	38	-1.0	-50.69	318.59	3.77	-46.92
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CN=C1C(F)(F)F	REAL300007569594	0	36	-1.0	-51.31	327.43	4.68	-46.63
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007569595	0	34	-1.0	-51.03	322.25	5.89	-45.14
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569596	0	42	-1.0	-59.61	361.10	6.90	-52.71
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007569597	0	42	-1.0	-54.73	345.08	7.96	-46.77
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007569598	0	37	-1.0	-54.08	339.53	5.86	-48.22
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569599	0	41	-1.0	-53.27	373.32	5.60	-47.67
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007569600	0	31	-1.0	-58.12	298.18	5.06	-53.06
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007569601	0	41	-1.0	-52.09	341.32	5.47	-46.62
CCC(C)N1N=CC=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569602	0	40	-1.0	-49.34	333.48	4.63	-44.71
CN(CCCC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300007569603	0	45	-1.0	-45.55	342.72	5.76	-39.79
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007569604	0	45	-1.0	-55.24	369.06	3.80	-51.44
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007569605	0	37	-1.0	-53.87	327.59	6.31	-47.56
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007569606	0	35	-1.0	-54.74	315.77	4.45	-50.29
CN(CCCC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007569607	0	46	-1.0	-46.54	368.77	7.38	-39.16
CC1=CC(C)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=NC=CC=C12	REAL300007569608	0	42	-1.0	-62.29	343.18	6.96	-55.33
CN(CCCC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007569609	0	39	-1.0	-45.47	330.37	4.89	-40.58
CCOCC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569610	0	41	-1.0	-49.87	351.30	5.47	-44.40
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007569611	0	34	-1.0	-54.11	335.79	6.87	-47.24
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007569612	0	41	-1.0	-53.45	357.63	6.02	-47.43
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007569613	0	44	-1.0	-54.53	362.90	5.80	-48.73
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007569614	0	42	-1.0	-49.87	363.06	7.63	-42.24
CC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC(C)=C1Br	REAL300007569615	0	37	-1.0	-51.82	334.21	6.61	-45.21
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=CC=CC=C12	REAL300007569616	0	40	-1.0	-53.37	333.54	7.78	-45.59
CN(CCCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007569617	0	41	-1.0	-63.02	355.63	6.15	-56.87
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007569618	0	35	-1.0	-47.67	314.92	6.12	-41.55
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007569619	0	35	-1.0	-53.65	329.71	6.67	-46.98
CN(CCCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007569620	0	35	-1.0	-47.38	329.80	6.68	-40.70
CN(CCCC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007569621	0	36	-1.0	-52.66	317.42	-1.22	-53.88
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007569622	0	33	-1.0	-49.77	305.33	4.19	-45.58
CC1=NC(S(=O)(=O)N(C)CCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007569623	0	40	-1.0	-57.86	352.56	3.84	-54.02
CN(CCCC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007569624	0	48	-1.0	-56.76	353.01	7.78	-48.98
CN(CCCC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007569625	0	39	-1.0	-49.78	313.22	5.27	-44.51
CN(CCCC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300007569626	0	39	-1.0	-59.53	344.71	1.63	-57.90
CN(CCCC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007569627	0	44	-1.0	-57.96	350.28	5.24	-52.72
CN(CCCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007569628	0	35	-1.0	-51.13	322.21	3.86	-47.27
CN(CCCC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007569629	0	41	-1.0	-47.55	356.16	7.68	-39.87
CN(CCCC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007569630	0	40	-1.0	-61.32	329.31	2.30	-59.02
CN(CCCC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007569631	0	44	-1.0	-47.07	342.00	6.83	-40.24
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007569632	0	35	-1.0	-47.70	318.68	6.12	-41.58
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007569633	0	53	-1.0	-53.82	406.10	9.03	-44.79
COC1=CC=C(C=C(C)S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569634	0	42	-1.0	-49.60	351.88	5.85	-43.75
COC1=CSC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1OC	REAL300007569635	0	36	-1.0	-48.29	323.69	2.75	-45.54
CN(CCCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007569636	0	43	-1.0	-46.36	332.02	5.16	-41.20
CN(CCCC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007569637	0	42	-1.0	-55.37	356.37	6.76	-48.61
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007569638	0	35	-1.0	-60.21	327.43	5.78	-54.43
COC1=CC(F)=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(F)=C1	REAL300007569639	0	35	-1.0	-50.31	311.06	4.33	-45.98
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007569640	0	35	-1.0	-56.01	322.00	4.51	-51.50
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007569641	0	37	-1.0	-53.36	315.41	4.63	-48.73
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007569642	0	38	-1.0	-57.49	330.22	6.64	-50.85
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007569643	0	40	-1.0	-53.93	355.38	5.35	-48.58
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569644	0	44	-1.0	-56.08	366.79	7.13	-48.95
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007569645	0	42	-1.0	-49.04	364.80	7.70	-41.34
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007569646	0	37	-1.0	-64.23	316.33	6.81	-57.42
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007569647	0	32	-1.0	-55.71	314.11	3.82	-51.89
C=C(C)COC1=CC=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569648	0	42	-1.0	-53.78	358.05	6.41	-47.37
CCN1C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C2CC2)=N1	REAL300007569649	0	41	-1.0	-52.05	346.53	5.41	-46.64
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=NSN=C2C=C1	REAL300007569650	0	35	-1.0	-54.71	305.96	3.94	-50.77
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007569651	0	37	-1.0	-48.38	336.96	7.55	-40.83
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007569652	0	41	-1.0	-53.12	367.44	8.80	-44.32
CN(CCCC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007569653	0	30	-1.0	-53.85	304.45	2.82	-51.03
CCC1=CC(S(=O)(=O)N(C)CCCC(=O)[O-])=CC=C1Br	REAL300007569654	0	37	-1.0	-51.47	335.55	6.74	-44.73
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569655	0	44	-1.0	-50.88	359.29	5.91	-44.97
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569656	0	45	-1.0	-57.40	375.58	5.24	-52.16
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007569657	0	37	-1.0	-54.16	328.51	7.45	-46.71
CN(CCCC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007569658	0	39	-1.0	-53.18	319.51	2.31	-50.87
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007569659	0	37	-1.0	-54.03	341.35	4.69	-49.34
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007569660	0	46	-1.0	-54.37	379.00	5.20	-49.17
COC1=NC=C(Cl)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569661	0	34	-1.0	-48.43	313.46	2.62	-45.81
COC1=NC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1C	REAL300007569662	0	37	-1.0	-52.35	323.82	2.27	-50.08
CC(C)CN1C=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=N1	REAL300007569663	0	40	-1.0	-56.02	343.93	4.96	-51.06
CC1=NN(C(C)C)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569664	0	40	-1.0	-54.48	335.53	4.44	-50.04
CN(CCCC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007569665	0	41	-1.0	-52.09	339.10	2.69	-49.40
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007569666	0	36	-1.0	-55.68	332.90	7.05	-48.63
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007569667	0	42	-1.0	-54.60	348.91	5.26	-49.34
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007569668	0	38	-1.0	-51.90	322.37	4.95	-46.95
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007569669	0	38	-1.0	-59.00	332.78	5.92	-53.08
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007569670	0	33	-1.0	-56.62	304.70	3.81	-52.81
CC1=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=NN1C(C)C	REAL300007569671	0	40	-1.0	-57.61	335.13	4.55	-53.06
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C=C1	REAL300007569672	0	45	-1.0	-53.65	385.31	8.44	-45.21
CN(CCCC(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007569673	0	36	-1.0	-59.33	310.97	5.29	-54.04
CN(CCCC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300007569674	0	34	-1.0	-53.09	307.92	4.57	-48.52
CN(CCCC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007569675	0	39	-1.0	-51.07	330.86	0.55	-50.52
COC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C(C(F)F)=C1	REAL300007569676	0	38	-1.0	-57.43	329.26	5.43	-52.00
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569677	0	37	-1.0	-48.74	335.84	3.13	-45.61
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007569678	0	36	-1.0	-52.67	311.50	5.34	-47.33
CCOC1=CC=CN=C1S(=O)(=O)N(C)CCCC(=O)[O-]	REAL300007569679	0	37	-1.0	-60.96	322.37	3.99	-56.97
CC1=CC=C(S(=O)(=O)N(C)CCCC(=O)[O-])C2=NC=CC=C12	REAL300007569680	0	39	-1.0	-61.09	328.51	6.46	-54.63
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007569681	0	33	-1.0	-59.95	307.48	3.87	-56.08
CN(CCCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007569682	0	38	-1.0	-49.65	343.93	5.64	-44.01
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)CCCC(=O)[O-])=C1	REAL300007569683	0	44	-1.0	-57.23	359.07	6.90	-50.33
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569684	0	37	-1.0	-61.60	316.15	5.45	-56.15
CCC(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569685	0	44	-1.0	-48.91	352.05	7.55	-41.36
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300007569686	0	29	-1.0	-46.15	281.90	4.60	-41.55
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569687	0	39	-1.0	-50.24	317.38	5.49	-44.75
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569688	0	35	-1.0	-49.84	298.06	5.91	-43.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300007569689	0	36	-1.0	-49.42	314.45	5.29	-44.13
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569690	0	38	-1.0	-56.98	334.10	2.48	-54.50
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300007569691	0	36	-1.0	-49.81	319.35	4.75	-45.06
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300007569692	0	43	-1.0	-47.74	335.60	4.46	-43.28
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569693	0	35	-1.0	-45.46	293.89	5.78	-39.68
CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569694	0	43	-1.0	-47.01	325.86	5.33	-41.68
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569695	0	38	-1.0	-49.88	308.06	3.97	-45.91
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007569696	0	48	-1.0	-48.80	375.20	8.76	-40.04
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300007569697	0	38	-1.0	-52.82	317.87	4.12	-48.70
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300007569698	0	32	-1.0	-49.69	280.98	5.23	-44.46
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300007569699	0	32	-1.0	-50.09	294.65	5.58	-44.51
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569700	0	37	-1.0	-60.18	302.15	6.99	-53.19
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300007569701	0	38	-1.0	-50.74	335.40	7.00	-43.74
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569702	0	42	-1.0	-57.58	356.73	1.52	-56.06
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569703	0	43	-1.0	-48.07	355.99	6.81	-41.26
CC1=CC(F)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569704	0	35	-1.0	-47.69	300.76	5.71	-41.98
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300007569705	0	38	-1.0	-49.45	319.06	5.48	-43.97
COCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569706	0	39	-1.0	-49.84	328.48	4.69	-45.15
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300007569707	0	38	-1.0	-49.64	321.97	2.60	-47.04
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569708	0	41	-1.0	-60.88	358.41	3.16	-57.72
CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569709	0	37	-1.0	-61.16	322.43	1.00	-60.16
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1C	REAL300007569710	0	42	-1.0	-48.39	322.02	5.19	-43.20
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)C1	REAL300007569711	0	37	-1.0	-49.71	327.74	5.51	-44.20
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300007569712	0	35	-1.0	-51.25	317.97	6.34	-44.91
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300007569713	0	37	-1.0	-50.03	314.32	5.35	-44.68
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CC1	REAL300007569714	0	42	-1.0	-57.24	346.72	0.67	-56.57
CN(C1CCOCC1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569715	0	41	-1.0	-49.04	321.19	3.05	-45.99
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300007569716	0	41	-1.0	-55.47	340.67	6.20	-49.27
CCN1N=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1C	REAL300007569717	0	41	-1.0	-49.35	330.87	4.89	-44.46
CC(C)N1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300007569718	0	38	-1.0	-53.10	318.11	4.09	-49.01
CC(C)CN1C=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569719	0	41	-1.0	-57.98	337.95	5.95	-52.03
CC(C)N1C=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569720	0	38	-1.0	-55.63	318.98	5.35	-50.28
CC(C)C1=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CN1	REAL300007569721	0	38	-1.0	-51.93	317.21	3.44	-48.49
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569722	0	44	-1.0	-51.50	329.18	7.89	-43.61
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)C1	REAL300007569723	0	45	-1.0	-55.19	371.30	7.87	-47.32
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569724	0	40	-1.0	-51.32	339.84	4.36	-46.96
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300007569725	0	40	-1.0	-48.38	335.64	4.33	-44.05
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Br	REAL300007569726	0	35	-1.0	-46.58	312.84	6.16	-40.42
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569727	0	35	-1.0	-46.93	281.93	5.31	-41.62
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300007569728	0	38	-1.0	-49.78	322.50	7.70	-42.08
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300007569729	0	37	-1.0	-46.08	322.82	6.87	-39.21
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300007569730	0	36	-1.0	-51.15	318.81	4.61	-46.54
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300007569731	0	39	-1.0	-50.14	332.51	6.61	-43.53
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569732	0	47	-1.0	-49.03	363.89	5.99	-43.04
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300007569733	0	35	-1.0	-48.39	307.58	5.88	-42.51
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569734	0	43	-1.0	-50.95	351.02	4.55	-46.40
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569737	0	36	-1.0	-47.50	302.17	4.89	-42.61
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569738	0	43	-1.0	-53.39	358.69	5.07	-48.32
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300007569739	0	43	-1.0	-51.13	365.23	1.94	-49.19
O=C([O-])[C@H]1CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007569740	0	50	-1.0	-48.72	360.91	6.63	-42.09
CC1=NC2=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=CC=C2C=C1	REAL300007569741	0	40	-1.0	-55.17	322.31	6.44	-48.73
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007569742	0	40	-1.0	-61.95	338.14	6.90	-55.05
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007569743	0	43	-1.0	-52.58	350.48	3.54	-49.04
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569744	0	46	-1.0	-50.65	382.44	5.93	-44.72
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569745	0	46	-1.0	-50.79	385.07	6.21	-44.58
CCCN1C=NC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569746	0	38	-1.0	-55.89	320.86	5.72	-50.17
COCCOCCOCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569747	0	46	-1.0	-54.71	381.89	2.33	-52.38
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569748	0	48	-1.0	-49.28	373.98	6.35	-42.93
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569749	0	39	-1.0	-49.07	341.95	5.27	-43.80
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007569750	0	40	-1.0	-49.35	331.77	2.77	-46.58
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569751	0	36	-1.0	-49.36	323.73	4.90	-44.46
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007569752	0	36	-1.0	-44.08	311.94	5.16	-38.92
COC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007569753	0	38	-1.0	-49.23	328.89	5.70	-43.53
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569754	0	38	-1.0	-45.35	316.24	6.28	-39.07
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569755	0	38	-1.0	-50.79	315.28	6.26	-44.53
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007569756	0	38	-1.0	-46.94	327.77	6.48	-40.46
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569757	0	41	-1.0	-52.54	328.72	7.20	-45.34
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300007569758	0	44	-1.0	-52.15	345.87	1.83	-50.32
CCOC1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569759	0	39	-1.0	-53.19	324.73	5.18	-48.01
COCCN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=N1	REAL300007569760	0	39	-1.0	-52.91	333.11	2.62	-50.29
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300007569761	0	39	-1.0	-51.48	337.76	5.49	-45.99
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1C	REAL300007569762	0	59	-1.0	-48.67	459.86	9.54	-39.13
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007569763	0	40	-1.0	-53.29	346.93	7.14	-46.15
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300007569764	0	37	-1.0	-53.97	314.56	5.33	-48.64
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300007569765	0	35	-1.0	-53.10	318.40	6.33	-46.77
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300007569766	0	35	-1.0	-52.35	313.88	6.27	-46.08
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300007569767	0	39	-1.0	-58.46	337.97	2.84	-55.62
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569768	0	35	-1.0	-47.59	315.64	6.26	-41.33
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569769	0	35	-1.0	-46.95	294.48	5.77	-41.18
COCC1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569770	0	39	-1.0	-48.54	309.82	4.54	-44.00
COC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300007569771	0	36	-1.0	-47.39	323.28	4.93	-42.46
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300007569772	0	40	-1.0	-47.52	341.26	4.69	-42.83
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300007569773	0	35	-1.0	-56.62	317.30	4.07	-52.55
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300007569774	0	35	-1.0	-53.39	312.01	3.83	-49.56
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C2O1	REAL300007569775	0	43	-1.0	-50.24	350.36	6.23	-44.01
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300007569776	0	35	-1.0	-49.68	312.85	4.07	-45.61
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569777	0	43	-1.0	-58.50	348.65	3.67	-54.83
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569778	0	44	-1.0	-55.52	377.07	4.17	-51.35
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569779	0	36	-1.0	-52.71	301.48	5.58	-47.13
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300007569780	0	40	-1.0	-53.81	352.30	1.73	-52.08
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569781	0	46	-1.0	-52.88	392.55	2.75	-50.13
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569782	0	43	-1.0	-57.44	351.48	4.81	-52.63
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300007569783	0	43	-1.0	-52.88	373.76	2.62	-50.26
CCC1=CC=C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569784	0	41	-1.0	-52.19	339.57	7.16	-45.03
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300007569785	0	35	-1.0	-50.40	308.84	5.59	-44.81
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300007569786	0	47	-1.0	-48.35	387.10	5.40	-42.95
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300007569787	0	44	-1.0	-51.20	361.78	4.65	-46.55
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569788	0	41	-1.0	-53.85	355.54	3.38	-50.47
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569789	0	42	-1.0	-55.55	356.61	2.35	-53.20
CC1=CC=C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300007569790	0	41	-1.0	-52.91	335.52	6.92	-45.99
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Br	REAL300007569791	0	39	-1.0	-51.46	345.11	5.86	-45.60
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007569792	0	46	-1.0	-49.72	381.61	8.03	-41.69
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300007569793	0	36	-1.0	-44.11	322.27	5.62	-38.49
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569794	0	39	-1.0	-51.29	343.34	5.56	-45.73
CC1(C)CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CCO1	REAL300007569795	0	41	-1.0	-47.31	319.55	3.18	-44.13
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2S1	REAL300007569796	0	46	-1.0	-50.19	386.37	6.91	-43.28
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569797	0	39	-1.0	-47.42	335.29	6.01	-41.41
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CC=C21	REAL300007569798	0	44	-1.0	-50.69	364.10	6.51	-44.18
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569799	0	39	-1.0	-59.99	337.26	-0.24	-60.23
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300007569800	0	38	-1.0	-49.12	330.12	6.09	-43.03
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300007569801	0	35	-1.0	-48.32	329.06	6.94	-41.38
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300007569802	0	38	-1.0	-52.64	336.70	7.74	-44.90
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300007569803	0	35	-1.0	-47.05	319.64	6.58	-40.47
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300007569804	0	38	-1.0	-53.59	324.82	7.79	-45.80
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300007569805	0	38	-1.0	-50.26	334.40	6.73	-43.53
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300007569806	0	43	-1.0	-53.12	354.51	6.34	-46.78
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300007569807	0	46	-1.0	-50.03	383.27	8.40	-41.63
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569808	0	45	-1.0	-52.49	379.94	6.49	-46.00
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300007569809	0	43	-1.0	-54.51	373.42	2.05	-52.46
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300007569810	0	41	-1.0	-51.78	340.19	7.85	-43.93
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1N(C)C	REAL300007569811	0	43	-1.0	-50.19	347.95	5.62	-44.57
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300007569812	0	38	-1.0	-50.45	334.70	6.94	-43.51
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300007569813	0	37	-1.0	-54.84	310.40	1.91	-52.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300007569814	0	45	-1.0	-49.88	358.14	5.48	-44.40
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300007569815	0	39	-1.0	-45.26	322.42	5.12	-40.14
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569816	0	41	-1.0	-64.23	357.81	3.23	-61.00
CSC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300007569817	0	36	-1.0	-51.37	328.55	6.44	-44.93
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569818	0	44	-1.0	-48.90	338.84	4.95	-43.95
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300007569819	0	40	-1.0	-52.81	344.52	3.57	-49.24
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C12	REAL300007569820	0	39	-1.0	-48.74	334.59	2.71	-46.03
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300007569821	0	43	-1.0	-51.91	369.94	4.82	-47.09
CN1N=CC2=CC(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)=CN=C21	REAL300007569822	0	37	-1.0	-50.40	317.72	4.13	-46.27
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300007569823	0	38	-1.0	-48.34	340.58	7.85	-40.49
CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(CC)=C1	REAL300007569824	0	50	-1.0	-47.16	365.27	9.01	-38.15
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300007569825	0	39	-1.0	-60.70	319.18	5.04	-55.66
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300007569826	0	38	-1.0	-48.91	341.54	3.07	-45.84
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300007569827	0	41	-1.0	-58.53	339.10	8.78	-49.75
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1F	REAL300007569828	0	39	-1.0	-48.25	310.95	4.59	-43.66
CC1(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)CCCCC1	REAL300007569829	0	44	-1.0	-50.39	323.19	6.51	-43.88
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300007569830	0	41	-1.0	-50.72	334.52	6.45	-44.27
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300007569832	0	40	-1.0	-50.64	342.80	6.29	-44.35
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569833	0	39	-1.0	-48.74	344.74	5.21	-43.53
CC1=CC=C(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(F)=C1	REAL300007569834	0	38	-1.0	-50.18	323.89	6.41	-43.77
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300007569836	0	32	-1.0	-48.42	305.93	5.16	-43.26
O=C([O-])[C@H]1CCCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300007569837	0	45	-1.0	-52.31	362.15	8.29	-44.02
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=NO1	REAL300007569838	0	43	-1.0	-54.69	355.27	5.72	-48.97
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300007569839	0	41	-1.0	-60.83	334.76	2.14	-58.69
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COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)CCC2=C1	REAL300007569843	0	44	-1.0	-49.84	357.30	6.67	-43.17
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300007569844	0	45	-1.0	-49.50	331.32	7.01	-42.49
CC(C)(CCS(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)S(C)(=O)=O	REAL300007569845	0	43	-1.0	-64.57	346.70	2.08	-62.49
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300007569846	0	41	-1.0	-50.11	325.66	6.21	-43.90
O=C([O-])[C@H]1CCCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300007569847	0	39	-1.0	-52.39	324.06	7.12	-45.27
CCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007569848	0	40	-1.0	-57.34	335.92	6.80	-50.54
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CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569856	0	39	-1.0	-45.45	331.53	6.16	-39.29
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569857	0	39	-1.0	-48.54	324.75	5.18	-43.36
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O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300007569863	0	32	-1.0	-50.19	290.08	5.47	-44.72
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569864	0	37	-1.0	-48.98	314.65	5.38	-43.60
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007569865	0	38	-1.0	-59.04	328.89	5.71	-53.33
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569866	0	44	-1.0	-49.00	349.58	7.28	-41.72
CC(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569867	0	41	-1.0	-48.93	333.61	6.89	-42.04
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CCCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569869	0	41	-1.0	-48.85	337.77	7.18	-41.67
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Br	REAL300007569870	0	36	-1.0	-51.71	323.25	4.93	-46.78
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300007569871	0	35	-1.0	-47.14	312.84	6.15	-40.99
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)=C1	REAL300007569872	0	46	-1.0	-49.94	385.21	8.55	-41.39
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007569873	0	36	-1.0	-47.87	319.39	4.74	-43.13
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1C	REAL300007569874	0	47	-1.0	-50.73	343.09	7.90	-42.83
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300007569875	0	41	-1.0	-48.70	336.20	4.91	-43.79
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569876	0	48	-1.0	-49.62	372.00	7.14	-42.48
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007569877	0	37	-1.0	-46.61	317.60	6.15	-40.46
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569878	0	36	-1.0	-47.14	317.09	5.45	-41.69
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COC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569882	0	40	-1.0	-50.16	325.25	4.11	-46.05
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1OC	REAL300007569883	0	40	-1.0	-51.68	332.11	4.16	-47.52
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300007569884	0	39	-1.0	-50.54	318.88	6.91	-43.63
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CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569887	0	47	-1.0	-48.79	376.87	8.46	-40.33
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1OCC	REAL300007569888	0	46	-1.0	-49.30	375.81	6.01	-43.29
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COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300007569893	0	38	-1.0	-54.03	315.83	5.84	-48.19
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569894	0	36	-1.0	-49.94	314.58	5.31	-44.63
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569895	0	37	-1.0	-52.60	327.61	-0.09	-52.69
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300007569896	0	44	-1.0	-58.78	382.39	2.81	-55.97
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569897	0	40	-1.0	-52.36	337.72	6.53	-45.83
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CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569901	0	43	-1.0	-51.44	368.94	2.96	-48.48
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CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569903	0	38	-1.0	-61.98	334.07	2.48	-59.50
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CC1CC(C)CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1	REAL300007569905	0	43	-1.0	-49.01	328.52	5.48	-43.53
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300007569906	0	38	-1.0	-53.29	308.12	7.28	-46.01
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CC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569908	0	35	-1.0	-50.74	283.16	5.35	-45.39
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=CC=C12	REAL300007569909	0	46	-1.0	-51.36	361.59	7.12	-44.24
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COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569911	0	36	-1.0	-47.32	312.50	5.34	-41.98
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569912	0	47	-1.0	-49.08	363.83	7.75	-41.33
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300007569913	0	35	-1.0	-46.57	308.81	6.07	-40.50
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569914	0	42	-1.0	-48.69	342.67	5.79	-42.90
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COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569920	0	38	-1.0	-49.18	326.07	5.46	-43.72
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300007569921	0	36	-1.0	-52.99	309.06	4.34	-48.65
CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1F	REAL300007569922	0	35	-1.0	-46.52	300.07	5.67	-40.85
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COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)C=C2)C=C1	REAL300007569924	0	47	-1.0	-49.67	391.58	7.08	-42.59
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C(C)C)=C1	REAL300007569925	0	59	-1.0	-49.32	429.89	10.78	-38.54
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300007569926	0	48	-1.0	-52.36	377.59	8.26	-44.10
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COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300007569928	0	42	-1.0	-52.52	336.37	6.63	-45.89
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569929	0	37	-1.0	-45.76	305.36	5.94	-39.82
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569930	0	37	-1.0	-54.80	300.10	5.76	-49.04
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CC(C)CC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569932	0	44	-1.0	-48.81	354.56	7.64	-41.17
COCCC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569933	0	42	-1.0	-49.47	349.97	5.47	-44.00
COCCN(CCOC)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569934	0	44	-1.0	-47.15	345.42	2.06	-45.09
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569935	0	35	-1.0	-49.93	293.51	5.81	-44.12
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300007569936	0	42	-1.0	-50.14	346.98	5.88	-44.26
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569937	0	48	-1.0	-48.16	385.32	7.28	-40.88
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300007569938	0	46	-1.0	-49.53	367.42	7.15	-42.38
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569939	0	45	-1.0	-48.15	366.33	6.68	-41.47
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569940	0	42	-1.0	-48.27	346.25	5.98	-42.29
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300007569941	0	36	-1.0	-51.75	318.86	4.82	-46.93
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300007569942	0	36	-1.0	-50.41	328.62	5.09	-45.32
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300007569943	0	39	-1.0	-50.13	322.91	5.01	-45.12
CC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1OC(C)C	REAL300007569944	0	45	-1.0	-49.75	362.72	6.56	-43.19
COC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300007569945	0	39	-1.0	-48.56	306.62	4.56	-44.00
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569946	0	43	-1.0	-50.04	358.35	4.46	-45.58
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300007569947	0	35	-1.0	-54.77	302.48	5.75	-49.02
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569948	0	35	-1.0	-45.37	298.45	5.88	-39.49
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1C	REAL300007569949	0	40	-1.0	-50.00	317.60	7.29	-42.71
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569950	0	41	-1.0	-54.29	337.58	2.76	-51.53
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300007569951	0	44	-1.0	-52.92	382.35	2.81	-50.11
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569952	0	40	-1.0	-53.56	350.02	1.13	-52.43
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569953	0	40	-1.0	-50.76	329.22	3.01	-47.75
CC1=NC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)S1	REAL300007569954	0	34	-1.0	-48.54	295.14	3.42	-45.12
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CSC3=CC=CC=C32)C1	REAL300007569955	0	35	-1.0	-49.14	302.89	6.07	-43.07
COC1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CC=C1F	REAL300007569956	0	36	-1.0	-47.67	309.09	4.33	-43.34
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300007569957	0	42	-1.0	-49.64	347.58	8.38	-41.26
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300007569958	0	35	-1.0	-50.83	330.63	6.74	-44.09
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)S2)=CS1	REAL300007569959	0	38	-1.0	-50.68	352.79	5.52	-45.16
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300007569960	0	52	-1.0	-48.15	407.98	8.56	-39.59
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569961	0	40	-1.0	-56.65	331.01	6.55	-50.10
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=CN1C	REAL300007569962	0	40	-1.0	-51.94	337.26	2.63	-49.31
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300007569963	0	42	-1.0	-49.33	324.18	5.54	-43.79
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300007569964	0	43	-1.0	-51.60	357.15	9.10	-42.50
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1C	REAL300007569965	0	42	-1.0	-47.18	326.52	5.31	-41.87
CC1=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300007569966	0	40	-1.0	-51.38	316.19	6.01	-45.37
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300007569967	0	37	-1.0	-52.87	303.31	5.51	-47.36
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1)=C2	REAL300007569968	0	45	-1.0	-55.88	373.20	8.81	-47.07
CCN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007569969	0	37	-1.0	-61.12	325.56	5.73	-55.39
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300007569970	0	39	-1.0	-48.95	344.32	5.63	-43.32
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300007569971	0	46	-1.0	-49.66	384.63	8.24	-41.42
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569972	0	40	-1.0	-61.65	336.44	6.22	-55.43
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300007569973	0	42	-1.0	-54.83	359.33	6.57	-48.26
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300007569974	0	35	-1.0	-67.35	299.74	4.12	-63.23
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569975	0	54	-1.0	-47.01	408.62	7.82	-39.19
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569976	0	40	-1.0	-53.29	350.65	1.58	-51.71
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300007569977	0	35	-1.0	-53.92	303.52	5.78	-48.14
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300007569978	0	45	-1.0	-52.18	358.29	7.55	-44.63
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569979	0	42	-1.0	-48.39	331.73	6.19	-42.20
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300007569980	0	37	-1.0	-65.60	321.68	5.13	-60.47
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300007569981	0	39	-1.0	-53.94	333.92	6.12	-47.82
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569982	0	46	-1.0	-50.05	380.21	5.42	-44.63
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569983	0	48	-1.0	-48.14	389.22	7.55	-40.59
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300007569984	0	42	-1.0	-50.79	321.17	7.18	-43.61
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300007569985	0	38	-1.0	-49.58	321.87	6.79	-42.79
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300007569986	0	36	-1.0	-48.67	329.79	6.41	-42.26
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300007569987	0	37	-1.0	-50.93	309.33	4.30	-46.63
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300007569988	0	40	-1.0	-59.04	337.06	6.24	-52.80
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300007569989	0	38	-1.0	-60.92	314.49	1.40	-59.52
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300007569990	0	37	-1.0	-50.88	321.67	5.13	-45.75
CCOC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)=C1	REAL300007569991	0	42	-1.0	-48.29	328.48	5.49	-42.80
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)=C1	REAL300007569992	0	40	-1.0	-52.16	349.96	1.13	-51.03
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300007569993	0	36	-1.0	-52.88	307.75	5.09	-47.79
CSC1=CC=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C=C1	REAL300007569994	0	36	-1.0	-48.30	313.60	5.98	-42.32
O=C([O-])[C@H]1CCCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300007569995	0	38	-1.0	-54.27	336.17	6.72	-47.55
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	REAL300007569996	0	43	-1.0	-49.32	343.28	6.72	-42.60
CCN1C=C(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)N=C1C	REAL300007569997	0	38	-1.0	-53.57	319.02	4.79	-48.78
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300007569998	0	38	-1.0	-50.32	307.86	4.52	-45.80
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300007569999	0	37	-1.0	-51.29	303.21	5.39	-45.90
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300007570000	0	44	-1.0	-52.37	367.06	6.96	-45.41
CC1=C(Br)C=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007570926	0	30	-1.0	-47.21	300.17	4.00	-43.21
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007570927	0	36	-1.0	-52.08	325.43	2.27	-49.81
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C	REAL300007570928	0	36	-1.0	-52.04	327.29	-0.85	-52.89
O=C([O-])CCNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007570929	0	43	-1.0	-44.54	322.56	3.86	-40.68
O=C([O-])CCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007570930	0	33	-1.0	-57.36	300.34	4.08	-53.28
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300007570931	0	43	-1.0	-46.44	362.88	4.57	-41.87
O=C([O-])CCNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007570932	0	36	-1.0	-48.96	312.57	0.73	-48.23
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007570933	0	39	-1.0	-48.27	342.76	3.13	-45.14
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007570934	0	39	-1.0	-50.70	352.52	3.41	-47.29
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007570935	0	40	-1.0	-46.74	344.19	3.41	-43.33
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007570936	0	32	-1.0	-45.70	303.65	2.49	-43.21
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(OC)=C1	REAL300007570937	0	43	-1.0	-50.61	372.23	0.43	-50.18
COC1=CC(Br)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007570938	0	29	-1.0	-46.20	286.21	2.11	-44.09
O=C([O-])CCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007570939	0	29	-1.0	-42.34	272.09	2.35	-39.99
COC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007570940	0	31	-1.0	-46.83	290.95	2.93	-43.90
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007570941	0	31	-1.0	-44.78	288.86	4.08	-40.70
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007570942	0	31	-1.0	-47.52	289.23	4.09	-43.43
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300007570943	0	31	-1.0	-44.38	289.85	3.70	-40.68
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007570944	0	32	-1.0	-51.92	299.79	2.73	-49.19
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1C	REAL300007570945	0	52	-1.0	-48.94	422.92	6.75	-42.19
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300007570946	0	39	-1.0	-47.32	346.49	0.12	-47.20
O=C([O-])CCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007570947	0	33	-1.0	-50.52	308.89	4.36	-46.16
O=C([O-])CCNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007570948	0	28	-1.0	-48.36	280.47	3.52	-44.84
O=C([O-])CCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300007570949	0	28	-1.0	-47.21	275.96	3.47	-43.74
O=C([O-])CCNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007570950	0	32	-1.0	-57.56	300.04	0.05	-57.51
CC1=CC(Br)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007570951	0	28	-1.0	-46.45	278.13	3.47	-42.98
CC1=C(Br)C=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007570952	0	28	-1.0	-45.21	268.87	3.48	-41.73
COC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Br	REAL300007570953	0	29	-1.0	-45.25	285.35	2.16	-43.09
COC1=CC(OC)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300007570954	0	33	-1.0	-45.43	301.44	1.89	-43.54
O=C([O-])CCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007570955	0	28	-1.0	-49.36	279.37	1.25	-48.11
O=C([O-])CCNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007570956	0	28	-1.0	-53.82	269.30	1.17	-52.65
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007570957	0	36	-1.0	-49.81	301.37	0.17	-49.64
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1I	REAL300007570958	0	28	-1.0	-46.95	280.77	3.83	-43.12
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007570959	0	37	-1.0	-53.14	339.08	1.40	-51.74
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007570960	0	42	-1.0	-50.05	372.21	1.91	-48.14
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007570961	0	42	-1.0	-56.18	378.33	0.70	-55.48
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300007570962	0	33	-1.0	-48.63	314.38	-1.04	-49.67
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])S1	REAL300007570963	0	39	-1.0	-53.65	370.73	-0.18	-53.83
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(OC)=C1	REAL300007570964	0	40	-1.0	-50.81	350.74	-0.35	-51.16
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(F)=C1	REAL300007570965	0	39	-1.0	-58.44	350.17	0.34	-58.10
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007570966	0	39	-1.0	-50.52	354.55	-0.02	-50.54
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007570967	0	36	-1.0	-58.97	315.40	2.19	-56.78
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300007570968	0	39	-1.0	-47.69	357.34	0.64	-47.05
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007570969	0	40	-1.0	-60.75	341.55	3.29	-57.46
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300007570970	0	36	-1.0	-47.81	335.84	-0.14	-47.95
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007570971	0	40	-1.0	-51.14	349.18	2.63	-48.51
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007570972	0	37	-1.0	-57.65	314.83	1.32	-56.33
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007570973	0	34	-1.0	-52.49	317.59	0.61	-51.88
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007570974	0	35	-1.0	-53.53	316.63	-0.46	-53.99
CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300007570975	0	32	-1.0	-44.98	307.19	3.08	-41.90
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007570976	0	39	-1.0	-50.05	343.61	5.25	-44.80
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007570977	0	29	-1.0	-42.38	282.41	2.80	-39.58
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007570978	0	31	-1.0	-47.24	315.88	0.31	-46.93
COC1=CC=C(Br)C(CS(=O)(=O)NCCC(=O)[O-])=C1	REAL300007570979	0	32	-1.0	-49.08	305.36	2.76	-46.32
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2S1	REAL300007570980	0	39	-1.0	-47.68	348.42	4.14	-43.54
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007570981	0	32	-1.0	-45.26	295.39	3.20	-42.06
CC(C)N1N=CC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300007570982	0	37	-1.0	-48.23	326.14	3.72	-44.51
CC1=C(S(=O)(=O)NCCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007570983	0	31	-1.0	-48.76	289.18	3.46	-45.30
O=C([O-])CCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007570984	0	28	-1.0	-46.44	291.06	4.12	-42.32
CC1=C(S(=O)(=O)NCCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007570985	0	31	-1.0	-44.36	299.26	4.93	-39.43
O=C([O-])CCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007570986	0	28	-1.0	-48.07	278.18	3.59	-44.48
O=C([O-])CCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007570987	0	31	-1.0	-49.64	293.11	5.05	-44.59
O=C([O-])CCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007570988	0	31	-1.0	-47.45	296.43	3.98	-43.47
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007570989	0	39	-1.0	-45.09	336.08	5.38	-39.71
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007570990	0	38	-1.0	-51.50	342.84	3.76	-47.74
O=C([O-])CCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007570991	0	36	-1.0	-52.40	335.43	-0.75	-53.15
CC1=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007570992	0	34	-1.0	-48.63	306.48	5.18	-43.45
O=C([O-])CCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007570993	0	31	-1.0	-48.91	296.87	4.13	-44.78
COC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300007570994	0	32	-1.0	-48.26	295.70	2.94	-45.32
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCC(=O)[O-])=C1	REAL300007570995	0	34	-1.0	-58.57	319.86	0.41	-58.16
CSC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300007570996	0	29	-1.0	-44.96	290.63	3.66	-41.30
O=C([O-])CCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007570997	0	33	-1.0	-50.04	306.58	0.74	-49.30
O=C([O-])CCNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007570998	0	36	-1.0	-47.19	331.95	2.01	-45.18
O=C([O-])CCNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007570999	0	31	-1.0	-46.40	302.61	5.07	-41.33
CCC1=CC(CC)=C(S(=O)(=O)NCCC(=O)[O-])C(CC)=C1	REAL300007571000	0	43	-1.0	-45.46	335.39	6.91	-38.55
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571900	0	36	-1.0	-52.24	302.90	4.93	-47.31
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571901	0	43	-1.0	-53.14	350.48	5.38	-47.76
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007571902	0	43	-1.0	-53.44	365.95	1.96	-51.48
O=C([O-])C1CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007571903	0	50	-1.0	-48.20	356.80	6.47	-41.73
CC1=NC2=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300007571904	0	40	-1.0	-56.91	330.80	6.45	-50.46
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007571905	0	40	-1.0	-52.75	338.18	6.86	-45.89
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007571906	0	43	-1.0	-51.68	350.53	3.52	-48.16
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571907	0	46	-1.0	-52.53	390.26	6.17	-46.36
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571908	0	46	-1.0	-52.75	381.87	6.15	-46.60
CCCN1C=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571909	0	38	-1.0	-53.19	321.58	5.75	-47.44
CC(COC1CCCC1)CS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571910	0	48	-1.0	-51.73	373.98	6.38	-45.35
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571911	0	39	-1.0	-48.74	341.49	5.29	-43.45
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007571912	0	40	-1.0	-48.34	331.41	2.72	-45.62
COC1=CC(Br)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571913	0	36	-1.0	-48.57	324.17	4.88	-43.69
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007571914	0	36	-1.0	-51.84	313.65	5.14	-46.70
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007571915	0	38	-1.0	-49.73	328.46	5.72	-44.01
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571916	0	38	-1.0	-47.24	315.62	6.28	-40.96
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571917	0	38	-1.0	-44.24	316.44	6.33	-37.91
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007571918	0	38	-1.0	-46.97	328.53	6.51	-40.46
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571919	0	41	-1.0	-50.93	321.27	6.89	-44.04
CCOC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571920	0	39	-1.0	-48.65	325.48	5.21	-43.44
COCCN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007571921	0	39	-1.0	-52.42	333.12	2.59	-49.83
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300007571922	0	39	-1.0	-51.40	338.46	5.54	-45.86
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1C	REAL300007571923	0	59	-1.0	-52.19	458.86	9.47	-42.72
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007571924	0	40	-1.0	-53.30	346.89	7.15	-46.15
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300007571925	0	37	-1.0	-54.17	315.27	5.37	-48.80
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300007571926	0	35	-1.0	-49.29	318.46	6.32	-42.97
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300007571927	0	35	-1.0	-52.38	314.51	6.31	-46.07
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300007571928	0	39	-1.0	-60.94	337.54	2.84	-58.10
CC1=CC(Br)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571929	0	35	-1.0	-46.30	316.08	6.24	-40.06
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571930	0	35	-1.0	-48.13	295.21	5.81	-42.32
COCC1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571931	0	39	-1.0	-48.53	310.27	4.52	-44.01
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300007571932	0	36	-1.0	-47.40	324.01	4.96	-42.44
COC1=CC(OC)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007571933	0	40	-1.0	-52.89	341.98	4.73	-48.16
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300007571934	0	35	-1.0	-55.74	317.33	4.05	-51.69
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300007571935	0	35	-1.0	-52.65	312.45	3.83	-48.82
CC1(C)CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300007571936	0	43	-1.0	-50.16	350.79	6.21	-43.95
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300007571937	0	35	-1.0	-58.11	307.72	3.95	-54.16
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007571938	0	44	-1.0	-55.70	377.77	4.21	-51.49
CSC1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571939	0	36	-1.0	-52.34	302.43	5.70	-46.64
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300007571940	0	40	-1.0	-53.01	353.06	1.77	-51.24
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571941	0	43	-1.0	-63.03	352.39	4.57	-58.46
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300007571942	0	43	-1.0	-52.40	374.52	2.66	-49.74
CCC1=CC=C(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007571943	0	41	-1.0	-50.60	340.06	7.14	-43.46
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300007571944	0	35	-1.0	-50.27	308.43	5.58	-44.69
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300007571945	0	47	-1.0	-54.84	386.69	5.42	-49.42
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300007571946	0	44	-1.0	-51.14	361.88	4.61	-46.53
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571947	0	41	-1.0	-54.05	356.27	3.41	-50.64
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571948	0	42	-1.0	-63.03	357.21	2.38	-60.65
CC1=CC=C(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007571949	0	41	-1.0	-51.32	335.58	6.91	-44.41
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Br	REAL300007571950	0	39	-1.0	-46.70	345.85	5.89	-40.81
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007571951	0	46	-1.0	-53.74	382.29	8.06	-45.68
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300007571952	0	36	-1.0	-51.50	323.98	5.59	-45.91
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571953	0	39	-1.0	-51.97	343.98	5.60	-46.37
CC1(C)CN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)CCO1	REAL300007571954	0	41	-1.0	-48.38	319.55	3.20	-45.18
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2S1	REAL300007571955	0	46	-1.0	-49.87	386.36	6.92	-42.95
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571956	0	39	-1.0	-51.78	335.99	6.04	-45.74
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C21	REAL300007571957	0	44	-1.0	-51.40	364.10	6.52	-44.88
CCS(=O)(=O)NCCS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571958	0	39	-1.0	-59.96	337.26	-0.26	-60.22
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300007571959	0	38	-1.0	-49.43	330.87	6.12	-43.31
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300007571960	0	35	-1.0	-49.21	329.01	6.90	-42.31
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300007571961	0	38	-1.0	-47.46	336.88	7.74	-39.72
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300007571962	0	35	-1.0	-51.63	320.44	6.62	-45.01
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300007571963	0	38	-1.0	-53.56	325.50	7.83	-45.73
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300007571964	0	38	-1.0	-50.19	335.07	6.78	-43.41
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300007571965	0	43	-1.0	-51.34	355.32	6.35	-44.99
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300007571966	0	46	-1.0	-50.78	383.35	8.43	-42.35
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007571967	0	45	-1.0	-56.63	380.63	6.52	-50.11
O=C([O-])C1CCCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300007571968	0	43	-1.0	-58.41	373.41	2.06	-56.35
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300007571969	0	41	-1.0	-49.00	340.38	7.86	-41.14
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1N(C)C	REAL300007571970	0	43	-1.0	-48.00	348.70	5.65	-42.35
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300007571971	0	38	-1.0	-52.01	334.82	6.93	-45.08
O=C([O-])C1CCCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300007571972	0	37	-1.0	-51.11	309.94	1.90	-49.21
O=C([O-])C1CCCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300007571973	0	45	-1.0	-49.86	358.16	5.46	-44.40
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007571974	0	39	-1.0	-51.50	323.33	5.15	-46.35
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571975	0	41	-1.0	-56.28	357.88	3.22	-53.06
CSC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007571976	0	36	-1.0	-46.61	329.31	6.47	-40.14
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007571977	0	44	-1.0	-47.92	346.32	5.31	-42.61
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300007571978	0	40	-1.0	-47.75	344.50	3.52	-44.23
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C12	REAL300007571979	0	39	-1.0	-53.08	334.62	2.67	-50.41
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300007571980	0	43	-1.0	-52.49	369.92	4.78	-47.71
CN1N=CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CN=C21	REAL300007571981	0	37	-1.0	-50.22	317.29	4.11	-46.11
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300007571982	0	38	-1.0	-48.37	341.29	7.88	-40.49
CCC1=CC(CC)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(CC)=C1	REAL300007571983	0	50	-1.0	-47.20	365.52	8.91	-38.29
O=C([O-])C1CCCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300007571984	0	39	-1.0	-51.63	319.13	5.00	-46.63
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300007571985	0	38	-1.0	-47.28	341.99	3.05	-44.23
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300007571986	0	41	-1.0	-58.90	333.57	8.66	-50.24
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1F	REAL300007571987	0	39	-1.0	-51.16	311.70	4.63	-46.53
CC1(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)CCCCC1	REAL300007571988	0	44	-1.0	-48.56	323.25	6.47	-42.09
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300007571989	0	41	-1.0	-50.88	334.43	6.45	-44.43
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300007571991	0	40	-1.0	-50.43	342.38	6.27	-44.16
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007571992	0	39	-1.0	-47.36	345.17	5.19	-42.17
CC1=CC=C(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300007571993	0	38	-1.0	-54.61	324.61	6.46	-48.15
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300007571995	0	32	-1.0	-44.53	306.66	5.19	-39.34
O=C([O-])C1CCCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300007571996	0	45	-1.0	-51.17	362.16	8.28	-42.89
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)=NO1	REAL300007571997	0	43	-1.0	-50.05	356.01	5.76	-44.29
O=C([O-])C1CCCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300007571998	0	41	-1.0	-55.73	334.57	2.15	-53.58
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007571999	0	35	-1.0	-47.57	310.27	5.47	-42.10
CC1=C(CCS(=O)(=O)N2CCCC(C(=O)[O-])C2)SC=N1	REAL300007572000	0	37	-1.0	-51.91	322.18	4.22	-47.69
CC1=C(Br)C=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007574081	0	30	-1.0	-50.49	299.33	5.36	-45.13
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574082	0	36	-1.0	-58.69	315.83	3.81	-54.88
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300007574083	0	36	-1.0	-48.95	324.09	0.64	-48.31
CN(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007574084	0	43	-1.0	-52.30	321.00	5.26	-47.04
CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007574085	0	33	-1.0	-47.34	296.14	5.41	-41.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300007574086	0	43	-1.0	-61.60	369.66	6.21	-55.39
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007574087	0	36	-1.0	-54.16	311.12	2.11	-52.05
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574088	0	39	-1.0	-60.66	350.05	4.77	-55.89
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574089	0	39	-1.0	-59.99	343.72	4.84	-55.15
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007574090	0	40	-1.0	-61.42	350.78	5.02	-56.40
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574091	0	32	-1.0	-51.66	302.79	3.85	-47.81
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300007574092	0	43	-1.0	-60.67	372.75	1.89	-58.78
COC1=CC(Br)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574093	0	29	-1.0	-52.03	285.36	3.47	-48.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007574094	0	29	-1.0	-51.81	272.61	3.80	-48.01
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007574095	0	31	-1.0	-42.55	288.28	4.29	-38.26
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574096	0	31	-1.0	-50.60	280.35	5.05	-45.55
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574097	0	31	-1.0	-54.43	280.33	5.06	-49.37
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300007574098	0	31	-1.0	-40.99	287.18	5.07	-35.92
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007574099	0	32	-1.0	-58.37	298.93	4.09	-54.28
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300007574100	0	52	-1.0	-53.92	421.29	8.20	-45.72
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300007574101	0	39	-1.0	-43.00	343.83	1.48	-41.52
CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007574102	0	33	-1.0	-58.68	307.42	5.76	-52.92
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007574103	0	28	-1.0	-41.51	276.28	4.85	-36.66
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007574104	0	28	-1.0	-45.75	271.76	4.80	-40.95
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007574105	0	32	-1.0	-54.33	297.44	1.42	-52.91
CC1=CC(Br)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574106	0	28	-1.0	-52.87	277.27	4.83	-48.04
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574107	0	28	-1.0	-40.78	261.44	4.70	-36.08
COC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300007574108	0	29	-1.0	-41.91	282.68	3.53	-38.38
COC1=CC(OC)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300007574109	0	33	-1.0	-47.29	301.13	3.31	-43.98
CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007574110	0	28	-1.0	-54.55	277.93	2.64	-51.91
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007574111	0	28	-1.0	-58.24	270.33	2.68	-55.56
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1I	REAL300007574112	0	28	-1.0	-41.41	278.11	5.20	-36.21
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007574113	0	37	-1.0	-57.94	338.24	2.76	-55.18
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574114	0	42	-1.0	-46.64	369.51	3.26	-43.38
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007574115	0	42	-1.0	-62.53	377.46	2.06	-60.47
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007574116	0	33	-1.0	-44.62	311.68	0.32	-44.30
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])S1	REAL300007574117	0	39	-1.0	-60.38	369.28	1.21	-59.17
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(OC)=C1	REAL300007574118	0	40	-1.0	-60.84	351.25	1.10	-59.74
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(F)=C1	REAL300007574119	0	39	-1.0	-61.60	350.74	1.88	-59.72
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574120	0	36	-1.0	-72.75	318.61	3.46	-69.29
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300007574121	0	39	-1.0	-43.66	354.66	2.00	-41.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007574122	0	40	-1.0	-49.17	327.18	4.28	-44.89
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1F	REAL300007574123	0	36	-1.0	-43.79	333.16	1.22	-42.57
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007574124	0	40	-1.0	-42.12	346.48	3.99	-38.13
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007574125	0	37	-1.0	-59.87	328.65	3.45	-56.42
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574126	0	34	-1.0	-57.92	314.93	1.97	-55.95
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574127	0	35	-1.0	-65.33	317.16	0.98	-64.35
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300007574128	0	32	-1.0	-45.69	304.53	4.45	-41.24
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007574129	0	39	-1.0	-45.81	340.95	6.63	-39.18
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007574130	0	29	-1.0	-51.81	282.94	4.25	-47.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007574131	0	31	-1.0	-53.32	315.04	1.67	-51.65
COC1=CC=C(Br)C(CS(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574132	0	32	-1.0	-45.79	301.17	4.09	-41.70
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007574133	0	39	-1.0	-46.45	345.80	5.52	-40.93
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574134	0	32	-1.0	-55.68	295.96	4.65	-51.03
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C21	REAL300007574135	0	37	-1.0	-46.02	323.51	5.08	-40.94
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007574136	0	31	-1.0	-44.10	284.31	4.83	-39.27
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007574137	0	28	-1.0	-51.74	289.60	5.51	-46.23
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007574138	0	31	-1.0	-55.51	297.45	6.30	-49.21
CN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007574139	0	28	-1.0	-52.28	282.78	5.26	-47.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007574140	0	31	-1.0	-57.32	285.60	6.07	-51.25
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007574141	0	31	-1.0	-55.80	295.56	5.33	-50.47
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007574142	0	39	-1.0	-58.22	342.03	6.98	-51.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007574143	0	38	-1.0	-50.31	340.18	5.12	-45.19
CN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007574144	0	36	-1.0	-47.70	331.23	0.58	-47.12
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007574145	0	34	-1.0	-54.91	301.01	6.41	-48.50
CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007574146	0	31	-1.0	-42.46	292.66	5.46	-37.00
COC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300007574147	0	32	-1.0	-51.95	286.44	3.84	-48.11
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007574148	0	34	-1.0	-50.96	315.69	1.75	-49.21
CSC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Cl	REAL300007574149	0	29	-1.0	-45.82	287.95	5.02	-40.80
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007574150	0	33	-1.0	-51.86	305.12	2.14	-49.72
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007574151	0	36	-1.0	-49.83	330.47	3.40	-46.43
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007574152	0	31	-1.0	-52.34	301.16	6.47	-45.87
CCC1=CC(CC)=C(S(=O)(=O)N(C)CC(=O)[O-])C(CC)=C1	REAL300007574153	0	43	-1.0	-42.08	328.33	7.72	-34.36
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574154	1	40	-1.0	-55.45	343.47	0.72	-54.73
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007574155	0	31	-1.0	-50.12	302.58	1.66	-48.46
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007574156	0	34	-1.0	-64.44	300.21	7.37	-57.07
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007574158	0	33	-1.0	-46.66	302.24	4.81	-41.85
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574159	0	32	-1.0	-53.41	306.37	3.78	-49.63
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007574160	0	25	-1.0	-50.13	266.54	3.77	-46.36
COC1=CC=C2C=C(S(=O)(=O)N(C)CC(=O)[O-])CCC2=C1	REAL300007574161	0	37	-1.0	-46.07	311.46	5.12	-40.95
CN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007574162	0	36	-1.0	-65.03	307.87	0.66	-64.37
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C12	REAL300007574163	0	40	-1.0	-55.42	357.35	6.85	-48.57
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C12	REAL300007574164	0	44	-1.0	-51.97	375.48	4.36	-47.61
CCC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007574165	0	33	-1.0	-50.60	295.21	5.38	-45.22
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007574166	0	25	-1.0	-50.93	255.86	4.17	-46.76
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574167	0	32	-1.0	-56.11	299.46	5.00	-51.11
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007574168	0	31	-1.0	-41.71	288.27	4.29	-37.42
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300007574169	0	41	-1.0	-56.32	362.93	1.12	-55.20
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007574170	0	42	-1.0	-55.49	371.33	3.26	-52.23
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007574171	0	36	-1.0	-55.72	330.14	1.55	-54.17
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300007574172	0	29	-1.0	-45.83	282.67	3.52	-42.31
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007574173	0	31	-1.0	-48.25	311.77	5.60	-42.65
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300007574174	0	28	-1.0	-41.65	272.27	4.74	-36.91
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)=C1	REAL300007574175	0	39	-1.0	-52.83	344.68	7.07	-45.76
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007574176	0	29	-1.0	-50.39	280.55	3.34	-47.05
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007574177	0	34	-1.0	-46.11	295.54	3.49	-42.62
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574178	0	41	-1.0	-57.80	332.61	5.78	-52.02
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300007574179	0	32	-1.0	-55.27	309.40	5.96	-49.31
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574180	0	29	-1.0	-55.54	277.75	4.08	-51.46
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574181	0	43	-1.0	-44.29	330.27	7.20	-37.09
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1OCC	REAL300007574182	0	39	-1.0	-44.99	335.19	4.60	-40.39
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007574183	0	30	-1.0	-57.40	288.81	-1.50	-58.90
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300007574184	0	33	-1.0	-52.05	285.95	5.16	-46.89
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007574185	0	31	-1.0	-65.15	282.97	4.57	-60.58
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007574186	0	30	-1.0	-54.06	287.01	-1.50	-55.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007574187	0	37	-1.0	-44.31	340.25	1.35	-42.96
CN(CC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007574188	0	33	-1.0	-55.02	301.02	5.13	-49.89
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300007574189	0	33	-1.0	-67.21	292.66	6.68	-60.53
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574190	0	36	-1.0	-47.55	328.36	1.56	-45.99
CN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007574191	0	37	-1.0	-64.05	319.89	2.91	-61.14
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007574192	0	31	-1.0	-58.08	293.45	1.07	-57.01
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007574193	0	35	-1.0	-59.04	303.12	7.37	-51.67
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007574194	0	35	-1.0	-46.17	306.92	6.96	-39.21
CN(C)C1=CC=CC2=C(S(=O)(=O)N(C)CC(=O)[O-])C=CC=C12	REAL300007574195	0	39	-1.0	-54.55	322.31	5.42	-49.13
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007574196	0	30	-1.0	-60.93	292.25	6.26	-54.67
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007574197	0	36	-1.0	-48.01	338.24	6.94	-41.07
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574198	0	31	-1.0	-51.96	284.68	4.13	-47.83
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007574199	0	36	-1.0	-42.99	338.15	6.91	-36.08
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300007574200	0	40	-1.0	-53.27	352.75	5.68	-47.59
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)CC(=O)[O-])C(C(C)C)=C1	REAL300007574201	0	52	-1.0	-44.65	390.54	9.34	-35.31
CC(C)OC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300007574202	0	41	-1.0	-55.52	336.92	6.47	-49.05
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007574203	0	28	-1.0	-39.31	286.89	5.20	-34.11
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300007574204	0	35	-1.0	-55.93	297.28	4.92	-51.01
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300007574205	0	43	-1.0	-48.45	369.85	3.55	-44.90
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007574206	0	41	-1.0	-58.55	353.54	1.26	-57.29
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574207	0	33	-1.0	-54.49	294.87	6.06	-48.43
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007574208	0	41	-1.0	-53.11	346.48	5.87	-47.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007574209	0	39	-1.0	-52.19	328.01	5.77	-46.42
CC(C)COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007574210	0	38	-1.0	-53.25	327.52	5.27	-47.98
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007574211	0	29	-1.0	-44.99	288.03	3.68	-41.31
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1OC(C)C	REAL300007574212	0	38	-1.0	-44.40	322.10	5.14	-39.26
COCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007574213	0	36	-1.0	-55.95	319.54	3.04	-52.91
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574214	0	28	-1.0	-50.97	262.59	4.64	-46.33
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)CC(=O)[O-])=C1C	REAL300007574215	0	33	-1.0	-59.60	272.77	6.03	-53.57
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574216	0	34	-1.0	-61.52	301.78	1.51	-60.01
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007574217	0	37	-1.0	-56.06	343.58	1.40	-54.66
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007574218	0	35	-1.0	-49.42	306.93	6.95	-42.47
CN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007574219	0	28	-1.0	-55.76	291.15	5.32	-50.44
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])S2)=CS1	REAL300007574220	0	31	-1.0	-53.43	313.41	4.13	-49.30
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007574221	0	45	-1.0	-53.23	369.14	7.17	-46.06
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007574222	0	36	-1.0	-54.31	318.19	7.70	-46.61
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300007574223	0	42	-1.0	-48.28	379.51	5.19	-43.09
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007574224	0	32	-1.0	-45.10	303.68	4.24	-40.86
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007574225	0	39	-1.0	-45.91	344.02	6.83	-39.08
CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007574226	0	35	-1.0	-53.62	319.94	5.14	-48.48
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574227	0	47	-1.0	-53.79	371.49	6.46	-47.33
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007574228	0	33	-1.0	-58.55	308.14	0.26	-58.29
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007574229	0	40	-1.0	-47.75	354.67	2.69	-45.06
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C2=CC=CC=C12	REAL300007574230	0	38	-1.0	-55.51	319.13	5.84	-49.67
CCOCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007574231	0	39	-1.0	-55.99	341.39	4.01	-51.98
CCCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007574232	0	41	-1.0	-53.17	350.41	6.13	-47.04
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007574233	0	29	-1.0	-50.56	290.95	5.01	-45.55
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300007574234	0	46	-1.0	-47.67	380.43	4.26	-43.41
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300007574235	0	44	-1.0	-61.71	365.59	1.44	-60.27
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300007574236	0	46	-1.0	-61.09	374.32	3.89	-57.20
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574237	0	46	-1.0	-60.66	378.41	4.03	-56.63
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300007574238	0	43	-1.0	-47.27	369.85	3.55	-43.72
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007574239	0	31	-1.0	-41.39	294.03	5.25	-36.14
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1	REAL300007574240	0	31	-1.0	-55.68	321.69	4.90	-50.78
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007574241	0	37	-1.0	-46.18	321.27	5.40	-40.78
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(F)(F)F	REAL300007574242	0	31	-1.0	-40.63	287.17	5.08	-35.55
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007574243	0	31	-1.0	-56.09	306.80	4.34	-51.75
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1	REAL300007574244	0	36	-1.0	-57.38	351.39	1.01	-56.37
COC1=CC(OC)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300007574245	0	33	-1.0	-47.27	305.53	3.42	-43.85
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007574246	0	38	-1.0	-50.23	353.86	5.73	-44.50
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007574247	0	33	-1.0	-64.60	297.82	4.64	-59.96
CN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007574248	0	28	-1.0	-56.49	284.61	5.21	-51.28
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574249	0	37	-1.0	-57.82	314.01	2.11	-55.71
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007574250	0	36	-1.0	-53.24	339.98	6.90	-46.34
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300007574251	0	31	-1.0	-59.23	321.69	4.89	-54.34
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007574252	0	31	-1.0	-54.13	300.40	4.27	-49.86
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007574253	0	31	-1.0	-55.79	317.12	4.79	-51.00
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)=CO1	REAL300007574254	0	34	-1.0	-51.54	309.14	2.61	-48.93
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007574255	0	28	-1.0	-41.40	268.63	2.00	-39.40
CC1=CC=C(N2C=C(S(=O)(=O)N(C)CC(=O)[O-])C=N2)C=C1	REAL300007574256	0	35	-1.0	-53.64	316.54	5.35	-48.29
CC1CC2=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(Cl)=C2O1	REAL300007574257	0	33	-1.0	-42.06	306.54	4.67	-37.39
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)CC(=O)[O-])C=N1	REAL300007574258	0	36	-1.0	-58.17	321.71	4.32	-53.85
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574259	0	33	-1.0	-51.84	286.13	5.22	-46.62
CC1=CC=C(C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1[N+](=O)[O-]	REAL300007574260	0	33	-1.0	-54.29	281.13	6.38	-47.91
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007574261	0	33	-1.0	-48.83	287.45	5.35	-43.48
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574262	0	33	-1.0	-40.02	282.25	5.53	-34.49
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)=N1	REAL300007574263	0	34	-1.0	-44.58	318.99	5.03	-39.55
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007574264	0	32	-1.0	-60.83	299.08	1.44	-59.39
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007574265	0	34	-1.0	-48.87	289.10	3.93	-44.94
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007574266	0	50	-1.0	-53.17	414.90	8.48	-44.69
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574267	0	35	-1.0	-56.20	320.95	5.80	-50.40
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574268	0	38	-1.0	-49.42	322.78	5.21	-44.21
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007574269	0	39	-1.0	-48.44	350.21	6.90	-41.54
CCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300007574270	0	44	-1.0	-43.98	364.22	6.60	-37.38
CCC1=NC(S(=O)(=O)N(C)CC(=O)[O-])=CN1CC1CC1	REAL300007574271	0	38	-1.0	-58.25	328.08	5.37	-52.88
CC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007574272	0	33	-1.0	-52.78	289.35	5.54	-47.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007574273	0	38	-1.0	-43.98	330.12	5.75	-38.23
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007574274	0	28	-1.0	-47.71	276.93	2.15	-45.56
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007574275	0	36	-1.0	-55.55	334.60	7.68	-47.87
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007574276	0	35	-1.0	-49.33	282.20	6.31	-43.02
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007574277	0	45	-1.0	-53.15	387.02	8.37	-44.78
CCC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=C(C)C=C1OC	REAL300007574278	0	38	-1.0	-52.83	312.12	4.77	-48.06
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007574279	0	31	-1.0	-50.42	305.78	5.42	-45.00
CCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300007574280	0	41	-1.0	-44.28	342.72	5.80	-38.48
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007574281	0	37	-1.0	-41.48	310.99	5.81	-35.67
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007574282	0	44	-1.0	-57.23	359.55	8.12	-49.11
CN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007574283	0	28	-1.0	-46.83	261.38	2.32	-44.51
CCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300007574284	0	47	-1.0	-45.36	385.71	7.39	-37.97
CCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)(C)C	REAL300007574285	0	47	-1.0	-44.26	376.76	7.27	-36.99
CCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1CC	REAL300007574286	0	41	-1.0	-45.31	347.29	6.07	-39.24
COCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300007574287	0	36	-1.0	-47.77	338.13	3.71	-44.06
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)CC(=O)[O-]	REAL300007574288	0	31	-1.0	-40.59	292.07	5.43	-35.16
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574289	0	41	-1.0	-53.42	348.11	6.36	-47.06
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300007574290	0	40	-1.0	-52.61	363.43	7.42	-45.19
CN(CC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007574291	0	36	-1.0	-57.18	306.72	1.65	-55.53
CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007574292	0	31	-1.0	-52.66	300.81	4.48	-48.18
CCCCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300007574293	0	50	-1.0	-43.90	407.21	8.16	-35.74
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C	REAL300007574294	0	41	-1.0	-54.87	328.61	5.18	-49.69
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574295	0	35	-1.0	-56.93	301.49	5.03	-51.90
CCOCCOC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1C(C)C	REAL300007574296	0	48	-1.0	-46.94	398.20	6.02	-40.92
CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007574297	0	31	-1.0	-47.46	284.97	4.16	-43.30
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007574298	0	38	-1.0	-46.19	314.69	4.25	-41.94
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1Br	REAL300007574299	0	31	-1.0	-42.70	278.68	5.17	-37.53
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007574300	0	31	-1.0	-52.11	302.78	4.68	-47.43
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574301	0	43	-1.0	-55.12	339.33	7.04	-48.08
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007574302	0	31	-1.0	-44.70	303.96	5.42	-39.28
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007574303	0	36	-1.0	-57.80	326.55	6.48	-51.32
COC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007574304	0	34	-1.0	-55.93	297.48	4.79	-51.14
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CN=C1C(F)(F)F	REAL300007574305	0	30	-1.0	-48.26	284.89	3.39	-44.87
CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007574306	0	28	-1.0	-49.05	279.71	4.62	-44.43
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007574307	0	31	-1.0	-42.85	289.76	4.44	-38.41
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007574308	0	35	-1.0	-51.67	330.77	4.32	-47.35
CN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007574309	0	25	-1.0	-57.95	257.55	3.83	-54.12
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007574310	0	39	-1.0	-53.57	326.44	2.49	-51.08
CN(CC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007574311	0	40	-1.0	-41.89	327.71	6.18	-35.71
CC1=CC(C)=C(S(=O)(=O)N(C)CC(=O)[O-])C2=NC=CC=C12	REAL300007574312	0	36	-1.0	-51.54	297.21	5.59	-45.95
CN(CC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007574313	0	33	-1.0	-39.61	287.81	3.63	-35.98
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007574314	0	28	-1.0	-53.33	293.25	5.58	-47.75
CN(CC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007574315	0	35	-1.0	-51.79	314.99	4.72	-47.07
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007574316	0	38	-1.0	-51.89	320.36	4.53	-47.36
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007574317	0	36	-1.0	-45.05	321.42	6.40	-38.65
CC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC(C)=C1Br	REAL300007574318	0	31	-1.0	-50.64	291.67	5.32	-45.32
CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007574319	0	35	-1.0	-61.99	313.11	4.85	-57.14
CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007574320	0	29	-1.0	-52.47	287.16	5.38	-47.09
CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007574321	0	29	-1.0	-52.33	287.16	5.39	-46.94
CC1=NC(S(=O)(=O)N(C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007574322	0	34	-1.0	-58.36	310.01	2.55	-55.81
CN(CC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007574323	0	42	-1.0	-57.86	310.94	6.48	-51.38
CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007574324	0	29	-1.0	-46.37	279.21	2.55	-43.82
CN(CC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007574325	0	35	-1.0	-44.14	313.15	6.39	-37.75
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007574326	0	47	-1.0	-46.15	362.31	7.71	-38.44
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007574327	0	29	-1.0	-58.78	285.01	4.52	-54.26
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007574328	0	29	-1.0	-43.32	278.25	3.20	-40.12
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007574329	0	34	-1.0	-51.92	313.45	4.04	-47.88
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574330	0	38	-1.0	-55.02	324.26	5.85	-49.17
CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007574331	0	36	-1.0	-56.14	324.39	6.49	-49.65
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007574332	0	26	-1.0	-56.28	271.54	2.53	-53.75
CC1=C(S(=O)(=O)N(C)CC(=O)[O-])C2=NSN=C2C=C1	REAL300007574333	0	29	-1.0	-61.90	267.21	2.70	-59.20
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007574334	0	31	-1.0	-52.58	296.60	6.36	-46.22
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300007574335	0	34	-1.0	-39.78	325.21	5.94	-33.84
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007574336	0	35	-1.0	-52.61	325.49	7.48	-45.13
CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007574337	0	24	-1.0	-51.39	261.91	1.54	-49.85
CCC1=CC(S(=O)(=O)N(C)CC(=O)[O-])=CC=C1Br	REAL300007574338	0	31	-1.0	-41.72	291.79	5.43	-36.29
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574339	0	38	-1.0	-44.29	313.64	4.57	-39.72
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574340	0	39	-1.0	-58.54	333.03	3.96	-54.58
CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007574341	0	31	-1.0	-54.08	286.37	6.15	-47.93
CN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007574342	0	31	-1.0	-52.64	298.80	3.40	-49.24
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007574343	0	40	-1.0	-53.57	336.45	3.93	-49.64
CN(CC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007574344	0	35	-1.0	-47.92	295.69	1.39	-46.53
CN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007574345	0	30	-1.0	-54.34	290.37	5.75	-48.59
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C1	REAL300007574346	0	39	-1.0	-52.42	342.77	7.14	-45.28
CN(CC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300007574347	0	28	-1.0	-51.30	265.37	3.29	-48.01
CN(CC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007574348	0	33	-1.0	-44.77	290.47	-0.67	-45.44
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C=C2)C=C1	REAL300007574349	0	48	-1.0	-54.46	406.05	8.76	-45.70
COC1=CC=C(S(=O)(=O)N(C)CC(=O)[O-])C(C(F)F)=C1	REAL300007574350	0	32	-1.0	-55.69	286.94	4.13	-51.56
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CC(=O)[O-]	REAL300007574351	0	31	-1.0	-51.58	293.40	1.83	-49.75
CN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007574352	0	32	-1.0	-56.75	301.55	4.36	-52.39
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)CC(=O)[O-])=C1	REAL300007574353	0	38	-1.0	-59.37	316.52	5.63	-53.74
CC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574354	0	37	-1.0	-58.85	315.39	5.47	-53.38
CCC(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574355	0	44	-1.0	-48.12	353.26	7.62	-40.50
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)S2)CC1	REAL300007574356	0	29	-1.0	-49.29	281.62	4.61	-44.68
COC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574357	0	39	-1.0	-53.90	318.51	5.45	-48.45
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574358	0	35	-1.0	-51.00	300.35	5.96	-45.04
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CC1	REAL300007574359	0	36	-1.0	-52.18	313.64	5.29	-46.89
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574360	0	38	-1.0	-58.58	335.27	2.55	-56.03
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300007574361	0	36	-1.0	-50.41	318.61	4.79	-45.62
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1OC	REAL300007574362	0	43	-1.0	-53.29	338.51	4.57	-48.72
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574363	0	35	-1.0	-49.73	296.48	5.89	-43.84
CN(C1CCCCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574364	0	43	-1.0	-50.79	328.86	5.47	-45.32
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574365	0	38	-1.0	-53.02	308.31	4.02	-49.00
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CC1	REAL300007574366	0	48	-1.0	-48.06	376.44	8.84	-39.22
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)CC1	REAL300007574367	0	38	-1.0	-51.47	319.09	4.19	-47.28
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2Br)CC1	REAL300007574368	0	32	-1.0	-51.98	282.05	5.33	-46.65
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(Br)=C2)CC1	REAL300007574369	0	32	-1.0	-50.85	293.91	5.62	-45.23
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574370	0	37	-1.0	-57.07	301.97	6.87	-50.20
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)CC1	REAL300007574371	0	38	-1.0	-48.52	336.61	7.07	-41.45
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574372	0	42	-1.0	-54.40	358.57	1.57	-52.83
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574373	0	43	-1.0	-50.92	357.17	6.88	-44.04
CC1=CC(F)=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574374	0	35	-1.0	-50.71	300.42	5.73	-44.98
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)CC1	REAL300007574375	0	38	-1.0	-50.58	320.27	5.56	-45.02
COCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574376	0	39	-1.0	-48.96	329.65	4.76	-44.20
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300007574377	0	38	-1.0	-50.82	321.64	2.62	-48.20
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574378	0	41	-1.0	-59.07	359.61	3.25	-55.82
CS(=O)(=O)CCCS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574379	0	37	-1.0	-57.26	323.60	1.09	-56.17
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)=C1C	REAL300007574380	0	42	-1.0	-48.24	322.07	5.18	-43.06
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Br)=CC3=C2OCC3)CC1	REAL300007574381	0	37	-1.0	-52.65	328.83	5.46	-47.19
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CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300007574384	0	42	-1.0	-59.09	345.96	0.66	-58.43
CN(C1CCOCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574385	0	41	-1.0	-51.05	319.59	3.08	-47.97
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300007574386	0	41	-1.0	-54.99	340.15	5.91	-49.08
CCN1N=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1C	REAL300007574387	0	41	-1.0	-51.81	330.09	4.85	-46.96
CC(C)N1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300007574388	0	38	-1.0	-52.91	317.36	4.09	-48.82
CC(C)CN1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574389	0	41	-1.0	-53.88	339.29	6.30	-47.58
CC(C)N1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574390	0	38	-1.0	-54.11	320.18	5.43	-48.68
CC(C)C1=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CN1	REAL300007574391	0	38	-1.0	-53.71	318.39	3.49	-50.22
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574392	0	44	-1.0	-52.41	328.52	7.92	-44.49
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)CC1	REAL300007574393	0	45	-1.0	-56.89	371.80	7.60	-49.29
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574394	0	40	-1.0	-56.11	340.66	4.44	-51.67
COC1=CC(Cl)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1OC	REAL300007574395	0	40	-1.0	-51.41	336.79	4.39	-47.02
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1Br	REAL300007574396	0	35	-1.0	-47.98	314.09	6.23	-41.75
CC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574397	0	35	-1.0	-50.67	284.31	5.37	-45.30
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CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574402	0	47	-1.0	-51.11	363.24	5.92	-45.19
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)CC1	REAL300007574403	0	35	-1.0	-47.69	306.79	5.90	-41.79
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574404	0	43	-1.0	-55.24	352.22	4.53	-50.71
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574407	0	36	-1.0	-53.33	303.49	4.86	-48.47
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574408	0	43	-1.0	-54.45	357.74	5.13	-49.32
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1C	REAL300007574409	0	43	-1.0	-55.69	366.44	2.00	-53.69
O=C([O-])C1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CC1	REAL300007574410	0	50	-1.0	-51.57	361.15	6.72	-44.85
CC1=NC2=C(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C=CC=C2C=C1	REAL300007574411	0	40	-1.0	-58.11	330.47	6.48	-51.63
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300007574412	0	40	-1.0	-60.64	337.53	6.89	-53.75
O=C([O-])C1CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)CC1	REAL300007574413	0	43	-1.0	-53.08	349.73	3.54	-49.54
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574414	0	46	-1.0	-55.56	390.89	6.13	-49.43
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574415	0	46	-1.0	-54.99	384.93	6.20	-48.79
CCCN1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574416	0	38	-1.0	-53.98	322.06	5.80	-48.18
COCCOCCOCCS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574417	0	46	-1.0	-52.25	383.10	2.38	-49.87
CC(COC1CCCC1)CS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574418	0	48	-1.0	-46.88	375.43	6.40	-40.48
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574419	0	39	-1.0	-50.61	341.15	5.30	-45.31
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COC1=CC(Br)=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574421	0	36	-1.0	-50.51	323.40	4.92	-45.59
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COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300007574423	0	38	-1.0	-51.61	330.11	5.78	-45.83
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574424	0	38	-1.0	-49.74	318.53	6.37	-43.37
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574425	0	38	-1.0	-51.83	318.55	6.38	-45.45
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300007574426	0	38	-1.0	-47.49	329.02	6.54	-40.95
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574427	0	41	-1.0	-47.81	321.00	6.93	-40.88
O=C([O-])C1CCN(S(=O)(=O)CCCN2CCOCC2)CC1	REAL300007574428	0	44	-1.0	-48.33	348.30	2.03	-46.30
CCOC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574429	0	39	-1.0	-52.83	323.97	5.23	-47.60
COCCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300007574430	0	39	-1.0	-53.36	332.36	2.61	-50.75
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CC1	REAL300007574431	0	39	-1.0	-53.12	338.94	5.58	-47.54
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1C	REAL300007574432	0	59	-1.0	-51.07	459.08	9.52	-41.55
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300007574433	0	40	-1.0	-58.98	346.08	7.16	-51.82
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O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC(Br)=C2)CC1	REAL300007574435	0	35	-1.0	-55.75	317.65	6.32	-49.43
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC=C2Br)CC1	REAL300007574436	0	35	-1.0	-49.15	315.06	6.34	-42.81
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CC1	REAL300007574437	0	39	-1.0	-61.55	339.21	2.91	-58.64
CC1=CC(Br)=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574438	0	35	-1.0	-50.28	315.31	6.28	-44.00
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574439	0	35	-1.0	-50.23	297.08	5.85	-44.38
COCC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574440	0	39	-1.0	-48.10	309.94	4.55	-43.55
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC=C1Br	REAL300007574441	0	36	-1.0	-48.58	324.51	5.00	-43.58
COC1=CC(OC)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1Cl	REAL300007574442	0	40	-1.0	-53.63	342.59	4.68	-48.95
O=C([O-])C1CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CC1	REAL300007574443	0	35	-1.0	-56.55	316.56	4.06	-52.49
O=C([O-])C1CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)CC1	REAL300007574444	0	35	-1.0	-55.98	310.53	3.89	-52.09
CC1(C)CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])CC3)=CC=C2O1	REAL300007574445	0	43	-1.0	-51.79	350.04	6.24	-45.55
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CC1	REAL300007574446	0	35	-1.0	-54.06	312.01	4.06	-50.00
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574447	0	43	-1.0	-59.23	355.41	3.94	-55.29
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574448	0	44	-1.0	-51.52	378.26	4.25	-47.27
CSC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574449	0	36	-1.0	-53.90	300.67	5.57	-48.33
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1F	REAL300007574450	0	40	-1.0	-54.47	353.53	1.81	-52.66
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574451	0	46	-1.0	-54.42	393.72	2.83	-51.59
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574452	0	43	-1.0	-68.80	354.63	4.66	-64.14
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1F	REAL300007574453	0	43	-1.0	-53.71	374.99	2.70	-51.01
CCC1=CC=C(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574454	0	41	-1.0	-55.53	339.25	7.15	-48.38
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=CS2)CC1	REAL300007574455	0	35	-1.0	-53.97	308.09	5.58	-48.39
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CC1	REAL300007574456	0	47	-1.0	-52.07	388.35	5.47	-46.60
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CC1	REAL300007574457	0	44	-1.0	-60.58	362.53	4.31	-56.27
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574458	0	41	-1.0	-58.18	356.76	3.45	-54.73
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574459	0	42	-1.0	-61.19	357.82	2.33	-58.86
CC1=CC=C(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1C	REAL300007574460	0	41	-1.0	-49.14	336.80	6.99	-42.15
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1Br	REAL300007574461	0	39	-1.0	-49.47	346.34	5.93	-43.54
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300007574462	0	46	-1.0	-53.36	380.83	8.06	-45.30
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CC1	REAL300007574463	0	36	-1.0	-48.01	322.19	5.63	-42.38
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574464	0	39	-1.0	-55.57	342.56	5.57	-50.00
CC1(C)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1	REAL300007574465	0	41	-1.0	-46.90	320.70	3.23	-43.67
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C=C2S1	REAL300007574466	0	46	-1.0	-51.86	385.59	6.94	-44.92
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574467	0	39	-1.0	-52.82	336.61	5.99	-46.83
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])CC3)=CC=C21	REAL300007574468	0	44	-1.0	-53.39	363.33	6.53	-46.86
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574469	0	39	-1.0	-55.53	338.47	-0.20	-55.73
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300007574470	0	38	-1.0	-50.70	325.16	6.22	-44.48
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CC1	REAL300007574471	0	35	-1.0	-50.34	328.24	6.94	-43.40
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC(Cl)=CC=C2S1	REAL300007574472	0	38	-1.0	-48.74	337.90	7.81	-40.93
O=C([O-])C1CCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CC1	REAL300007574473	0	35	-1.0	-48.77	319.36	6.58	-42.19
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CC1	REAL300007574474	0	38	-1.0	-54.75	325.29	7.52	-47.23
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CC1	REAL300007574475	0	38	-1.0	-48.67	335.59	6.83	-41.84
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)CC1	REAL300007574476	0	43	-1.0	-56.45	353.75	6.32	-50.13
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CC1	REAL300007574477	0	46	-1.0	-52.85	383.95	8.38	-44.47
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574478	0	45	-1.0	-55.49	381.12	6.56	-48.93
O=C([O-])C1CCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)CC1	REAL300007574479	0	43	-1.0	-54.22	374.63	2.12	-52.10
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC(C)=C2S1	REAL300007574480	0	41	-1.0	-49.82	341.32	7.98	-41.84
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1N(C)C	REAL300007574481	0	43	-1.0	-48.36	349.19	5.68	-42.68
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=CC=C2Br)CC1	REAL300007574482	0	38	-1.0	-54.48	334.00	6.93	-47.55
O=C([O-])C1CCN(S(=O)(=O)C2=C3OCCCN3N=C2)CC1	REAL300007574483	0	37	-1.0	-55.41	309.65	1.92	-53.49
O=C([O-])C1CCN(S(=O)(=O)CCOCC2CCCC2)CC1	REAL300007574484	0	45	-1.0	-52.85	358.05	5.45	-47.40
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1Cl	REAL300007574485	0	39	-1.0	-52.11	324.48	5.17	-46.94
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574486	0	41	-1.0	-66.88	357.07	3.22	-63.66
CSC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1Cl	REAL300007574487	0	36	-1.0	-49.43	329.78	6.51	-42.92
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574488	0	44	-1.0	-50.99	338.47	5.11	-45.88
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COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1Br	REAL300007574540	0	36	-1.0	-49.73	324.49	5.00	-44.73
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CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)=C1C	REAL300007574544	0	47	-1.0	-49.01	341.16	7.86	-41.15
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COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574546	0	48	-1.0	-53.67	373.31	7.13	-46.54
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300007574547	0	37	-1.0	-51.44	318.80	6.23	-45.21
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574548	0	36	-1.0	-52.69	318.39	5.41	-47.28
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COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574552	0	40	-1.0	-55.22	326.55	4.08	-51.14
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1OC	REAL300007574553	0	40	-1.0	-51.30	333.32	4.24	-47.06
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CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1OCC	REAL300007574558	0	46	-1.0	-51.41	377.02	6.08	-45.33
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CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300007574560	0	40	-1.0	-53.41	333.71	6.71	-46.70
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1C	REAL300007574561	0	40	-1.0	-53.85	325.33	6.60	-47.25
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(C(=O)[O-])CC3)=C2N=C1	REAL300007574562	0	40	-1.0	-53.40	328.66	6.70	-46.70
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300007574563	0	38	-1.0	-62.81	322.66	6.10	-56.71
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574564	0	36	-1.0	-47.03	312.40	5.35	-41.68
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574565	0	37	-1.0	-56.30	328.78	-0.01	-56.31
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CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574567	0	40	-1.0	-53.69	340.49	6.44	-47.25
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CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1C	REAL300007574570	0	40	-1.0	-63.19	331.67	8.00	-55.19
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CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574573	0	38	-1.0	-58.76	335.29	2.56	-56.20
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CC1CC(C)CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300007574575	0	43	-1.0	-45.99	329.94	5.56	-40.43
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CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574578	0	35	-1.0	-51.63	285.45	5.40	-46.23
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C=CC=C12	REAL300007574579	0	46	-1.0	-51.88	362.04	6.85	-45.03
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CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574582	0	47	-1.0	-51.77	364.54	7.84	-43.93
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1Cl	REAL300007574583	0	35	-1.0	-48.01	310.06	6.14	-41.87
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574584	0	42	-1.0	-48.95	343.86	5.88	-43.07
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COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574590	0	38	-1.0	-51.30	325.35	5.48	-45.82
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1F	REAL300007574591	0	36	-1.0	-50.70	310.29	4.41	-46.29
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1F	REAL300007574592	0	35	-1.0	-48.55	301.31	5.74	-42.81
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COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C=C2)C=C1	REAL300007574594	0	47	-1.0	-50.49	392.73	7.16	-43.33
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COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574675	0	39	-1.0	-56.23	341.27	5.59	-50.64
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CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC(C(=O)[O-])CC3)=C2O1	REAL300007574677	0	43	-1.0	-51.02	347.63	6.29	-44.73
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CC1CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])CC3)=CC=C2O1	REAL300007574683	0	40	-1.0	-50.12	331.64	5.65	-44.47
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COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300007574699	0	43	-1.0	-56.77	362.32	5.81	-50.96
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CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)=C1F	REAL300007574814	0	41	-1.0	-49.50	321.49	7.02	-42.48
COC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1OC	REAL300007574815	0	40	-1.0	-52.91	327.37	4.80	-48.11
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CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C2CCCC2)=N1	REAL300007574817	0	45	-1.0	-52.90	354.03	5.59	-47.31
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CCCCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C)=N1	REAL300007574819	0	44	-1.0	-53.04	356.10	5.59	-47.45
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300007574820	0	39	-1.0	-52.29	316.33	4.43	-47.86
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CN1N=NC2=C(S(=O)(=O)N3CCC(C(=O)[O-])CC3)C=CC=C21	REAL300007574822	0	37	-1.0	-61.35	316.70	3.39	-57.96
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CC1(C)CCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300007574824	0	43	-1.0	-45.97	329.26	5.48	-40.49
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CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C2CCC2)=N1	REAL300007574826	0	42	-1.0	-53.00	336.77	5.10	-47.90
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574827	0	50	-1.0	-53.21	388.14	9.12	-44.09
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CCCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574833	0	41	-1.0	-51.48	337.01	7.22	-44.26
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574834	0	39	-1.0	-51.74	317.29	4.47	-47.27
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574835	0	41	-1.0	-49.45	314.36	4.50	-44.95
CC(C)(C)N1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300007574836	0	41	-1.0	-53.02	337.12	4.71	-48.31
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CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CN=C1C(F)(F)F	REAL300007574838	0	37	-1.0	-49.60	325.64	4.86	-44.74
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CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574840	0	43	-1.0	-58.53	357.20	7.03	-51.50
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COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=CS1	REAL300007574848	0	33	-1.0	-47.54	292.03	3.49	-44.05
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CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574850	0	41	-1.0	-51.22	333.75	4.85	-46.37
CN(C1CCCCCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574851	0	46	-1.0	-50.83	342.79	5.92	-44.91
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C2CCOCC2)=N1	REAL300007574852	0	46	-1.0	-53.30	363.72	3.83	-49.47
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574853	0	38	-1.0	-52.62	325.83	6.54	-46.08
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COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)S1	REAL300007574856	0	33	-1.0	-50.84	296.44	3.44	-47.40
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300007574857	0	43	-1.0	-58.33	340.07	7.09	-51.24
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CCOCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574860	0	42	-1.0	-53.03	349.54	5.69	-47.34
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574861	0	42	-1.0	-51.15	351.26	6.24	-44.91
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CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC(C)=C1Br	REAL300007574865	0	38	-1.0	-49.74	330.31	6.74	-43.00
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300007574866	0	41	-1.0	-53.81	326.32	7.53	-46.28
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300007574867	0	42	-1.0	-53.24	344.93	6.13	-47.11
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O=C([O-])C1CCN(S(=O)(=O)CCC2NC(=O)NC2=O)CC1	REAL300007574871	0	37	-1.0	-64.66	317.99	-1.04	-65.70
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O=C([O-])C1CCN(S(=O)(=O)C2CCC(F)(F)CC2)CC1	REAL300007574873	0	38	-1.0	-56.20	306.01	5.42	-50.78
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)CC1	REAL300007574874	0	34	-1.0	-51.88	305.51	4.43	-47.45
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CC1=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300007574876	0	41	-1.0	-53.76	350.58	4.02	-49.74
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CC1(C)COC(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1	REAL300007574878	0	42	-1.0	-57.14	333.09	4.23	-52.91
O=C([O-])C1CCN(S(=O)(=O)CC2CS(=O)(=O)C2)CC1	REAL300007574879	0	35	-1.0	-54.55	304.71	0.78	-53.77
CC(C)(CS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)(F)F	REAL300007574880	0	40	-1.0	-52.53	311.59	5.48	-47.05
CS(=O)(=O)CCCCS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574881	0	40	-1.0	-59.62	345.10	1.88	-57.74
CC1(C)CCC(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)OC1	REAL300007574882	0	45	-1.0	-56.32	346.93	5.32	-51.00
O=C([O-])C1CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	REAL300007574883	0	42	-1.0	-46.97	345.13	7.35	-39.62
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O=C([O-])C1CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CC1	REAL300007574886	0	41	-1.0	-61.42	325.27	2.91	-58.51
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CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC(C(=O)[O-])CC3)=CC=C21	REAL300007574889	0	54	-1.0	-49.01	404.32	9.22	-39.79
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574890	0	43	-1.0	-49.12	351.86	6.09	-43.03
COC1=CSC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1OC	REAL300007574891	0	37	-1.0	-54.10	327.46	3.41	-50.69
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CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574893	0	43	-1.0	-52.18	349.59	6.75	-45.43
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COC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(F)=C1	REAL300007574895	0	36	-1.0	-52.49	310.61	4.57	-47.92
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CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574897	0	38	-1.0	-51.48	314.78	4.87	-46.61
CN1C=CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])CC3)=CC=C21	REAL300007574898	0	39	-1.0	-54.77	326.31	6.77	-48.00
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CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574900	0	45	-1.0	-53.55	362.87	7.34	-46.21
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CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574902	0	38	-1.0	-61.06	313.00	6.88	-54.18
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C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574904	0	43	-1.0	-53.27	356.29	6.62	-46.65
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300007574905	0	42	-1.0	-52.12	338.09	5.31	-46.81
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=NSN=C2C=C1	REAL300007574906	0	36	-1.0	-51.19	300.94	3.92	-47.27
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CCC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=CC=C1Br	REAL300007574910	0	38	-1.0	-47.23	333.64	6.91	-40.32
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574911	0	45	-1.0	-49.46	359.01	6.18	-43.28
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COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574913	0	46	-1.0	-54.68	373.72	5.31	-49.37
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CC1	REAL300007574914	0	38	-1.0	-52.39	323.85	7.44	-44.95
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574915	0	40	-1.0	-52.26	321.71	2.62	-49.64
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2C2CC2)CC1	REAL300007574916	0	39	-1.0	-53.11	308.55	6.72	-46.39
CC1(C)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300007574917	0	43	-1.0	-50.14	325.48	5.04	-45.10
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)CC1	REAL300007574918	0	47	-1.0	-50.09	376.44	5.40	-44.69
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574919	0	35	-1.0	-50.42	311.71	2.69	-47.73
COC1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1C	REAL300007574920	0	38	-1.0	-49.73	321.89	2.45	-47.28
CC(C)CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=N1	REAL300007574921	0	41	-1.0	-53.10	335.54	5.15	-47.95
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574922	0	41	-1.0	-52.51	330.87	4.34	-48.17
O=C([O-])C1CCN(S(=O)(=O)N2CCN(CC(F)F)CC2)CC1	REAL300007574923	0	42	-1.0	-52.86	329.29	2.27	-50.59
COCC1=CC(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)=NO1	REAL300007574924	0	38	-1.0	-52.14	328.96	2.94	-49.20
O=C([O-])C1CCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)CC1	REAL300007574925	0	37	-1.0	-53.42	327.55	6.98	-46.44
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)N=C1	REAL300007574926	0	43	-1.0	-50.61	346.98	5.44	-45.17
CC(C)N1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574927	0	38	-1.0	-49.55	313.82	4.24	-45.31
O=C([O-])C1CCN(S(=O)(=O)C2=CC=NN2CC2CC2)CC1	REAL300007574928	0	39	-1.0	-49.39	317.65	5.16	-44.23
O=C([O-])C1CCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CC1	REAL300007574929	0	39	-1.0	-50.56	328.57	6.14	-44.42
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)CC1	REAL300007574930	0	34	-1.0	-52.49	302.78	3.96	-48.53
O=C([O-])C1CCN(S(=O)(=O)N2CCC3=CC=CN=C32)CC1	REAL300007574931	0	37	-1.0	-52.27	309.66	5.42	-46.85
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=NN1C(C)C	REAL300007574932	0	41	-1.0	-53.90	330.77	4.62	-49.28
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007574933	0	46	-1.0	-50.39	383.36	8.58	-41.81
O=C([O-])C1CCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)CC1	REAL300007574934	0	37	-1.0	-53.91	307.46	5.38	-48.53
O=C([O-])C1CCN(S(=O)(=O)N2CC=C(Br)CC2)CC1	REAL300007574935	0	35	-1.0	-47.64	302.68	4.60	-43.04
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574936	0	40	-1.0	-59.85	330.80	0.80	-59.05
O=C([O-])C1CCN(S(=O)(=O)N2CC3CCC(C2)O3)CC1	REAL300007574937	0	39	-1.0	-50.92	304.20	3.08	-47.84
N#CC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	REAL300007574938	0	38	-1.0	-48.83	312.87	4.50	-44.33
COC1=CC=NC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574939	0	35	-1.0	-50.60	300.86	2.43	-48.17
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C(C(F)F)=C1	REAL300007574940	0	39	-1.0	-45.85	319.86	5.30	-40.55
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)N=C1	REAL300007574941	0	35	-1.0	-51.19	300.00	2.42	-48.77
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574942	0	38	-1.0	-50.30	334.16	3.18	-47.12
O=C([O-])C1CCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)CC1	REAL300007574943	0	37	-1.0	-48.81	303.66	5.38	-43.43
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007574944	0	38	-1.0	-54.31	320.39	4.17	-50.14
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300007574945	0	40	-1.0	-57.82	326.70	6.42	-51.40
O=C([O-])C1CCN(S(=O)(=O)C2=CNC3=CC=CC=C32)CC1	REAL300007574946	0	36	-1.0	-54.92	303.69	4.86	-50.06
O=C([O-])C1CCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)CC1	REAL300007574947	0	34	-1.0	-52.46	305.49	4.04	-48.42
O=C([O-])C1CCN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)CC1	REAL300007574948	0	39	-1.0	-54.00	342.64	5.85	-48.15
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC(C(=O)[O-])CC2)=C1	REAL300007574949	0	45	-1.0	-49.15	353.20	6.90	-42.25
CC1=CC=C(Br)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007574950	0	31	-1.0	-47.66	293.78	4.40	-43.26
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007574951	0	32	-1.0	-49.50	293.98	3.30	-46.20
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007574952	0	34	-1.0	-56.37	317.61	0.51	-55.86
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007574953	0	32	-1.0	-47.75	302.91	2.78	-44.97
COC1=CC(C)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1OC	REAL300007574954	0	39	-1.0	-50.33	330.38	3.09	-47.24
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007574955	0	44	-1.0	-47.92	358.77	6.79	-41.13
O=C([O-])CCCNS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007574956	0	34	-1.0	-50.69	301.41	2.14	-48.55
O=C([O-])CCCNS(=O)(=O)C1=CC=CC=C1Br	REAL300007574957	0	28	-1.0	-49.27	273.37	3.72	-45.55
O=C([O-])CCCNS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007574958	0	28	-1.0	-48.12	278.23	3.60	-44.52
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007574959	0	33	-1.0	-55.39	290.59	5.32	-50.07
O=C([O-])CCCNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007574960	0	34	-1.0	-50.95	318.90	5.00	-45.95
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCCC(=O)[O-]	REAL300007574961	0	38	-1.0	-59.72	340.23	-0.45	-60.17
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007574962	0	39	-1.0	-50.62	339.38	4.81	-45.81
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007574963	0	37	-1.0	-60.51	341.95	1.19	-59.32
COC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(C)=C1C	REAL300007574964	0	38	-1.0	-48.89	317.32	3.80	-45.09
O=C([O-])CCCNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007574965	0	33	-1.0	-49.58	308.04	3.48	-46.10
O=C([O-])CCCNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007574966	0	31	-1.0	-51.03	301.97	4.32	-46.71
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1	REAL300007574967	0	45	-1.0	-54.88	398.63	2.07	-52.81
CS(=O)(=O)N1CCN(S(=O)(=O)NCCCC(=O)[O-])CC1	REAL300007574968	0	38	-1.0	-56.91	327.61	-1.45	-58.36
CC1=C(S(=O)(=O)NCCCC(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007574969	0	37	-1.0	-52.97	330.25	4.31	-48.66
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007574970	0	41	-1.0	-54.42	361.15	5.94	-48.48
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007574971	0	36	-1.0	-59.17	323.39	2.40	-56.77
O=C([O-])CCCNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007574972	0	34	-1.0	-48.40	323.89	4.13	-44.27
COC1=CC(Cl)=C(S(=O)(=O)NCCCC(=O)[O-])C=C1OC	REAL300007574973	0	36	-1.0	-49.13	317.26	2.24	-46.89
COC1=CC(S(=O)(=O)NCCCC(=O)[O-])=C(OC)C=C1Br	REAL300007574974	0	36	-1.0	-48.92	327.30	2.78	-46.14
CC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Br	REAL300007574975	0	31	-1.0	-48.28	296.42	4.18	-44.10
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007574976	0	34	-1.0	-48.40	312.33	5.76	-42.64
O=C([O-])CCCNS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300007574977	0	38	-1.0	-49.34	352.39	7.02	-42.32
O=C([O-])CCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007574978	0	33	-1.0	-48.45	310.06	5.22	-43.23
COCCOC1=C(Cl)C=C(S(=O)(=O)NCCCC(=O)[O-])C=C1Cl	REAL300007574979	0	39	-1.0	-48.61	377.88	3.71	-44.90
O=C([O-])CCCNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007574980	0	32	-1.0	-50.09	302.40	2.63	-47.46
O=C([O-])CCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007574981	0	35	-1.0	-50.83	314.18	4.67	-46.16
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007574982	0	43	-1.0	-49.98	349.69	3.99	-45.99
COCC1=CC=C(OC)C(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007574983	0	39	-1.0	-51.83	332.51	2.53	-49.30
CC1=C(Br)C=C(S(=O)(=O)NCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007574986	0	33	-1.0	-47.75	321.67	4.79	-42.96
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007574987	0	39	-1.0	-53.03	346.99	3.07	-49.96
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C=C1C	REAL300007574988	0	39	-1.0	-53.72	348.79	-0.06	-53.78
O=C([O-])CCCNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007574989	0	46	-1.0	-47.33	344.06	4.65	-42.68
CC1=NC2=C(S(=O)(=O)NCCCC(=O)[O-])C=CC=C2C=C1	REAL300007574990	0	36	-1.0	-54.90	310.14	4.66	-50.24
O=C([O-])CCCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007574991	0	36	-1.0	-57.17	321.84	4.87	-52.30
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300007574992	0	46	-1.0	-51.38	391.22	5.56	-45.82
O=C([O-])CCCNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007574993	0	39	-1.0	-50.67	334.07	1.52	-49.15
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007574994	0	42	-1.0	-52.56	371.18	4.12	-48.44
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCCC(=O)[O-]	REAL300007574995	0	42	-1.0	-50.75	364.47	4.19	-46.56
COCCOCCOCCS(=O)(=O)NCCCC(=O)[O-]	REAL300007574996	0	42	-1.0	-53.56	365.39	0.29	-53.27
CC(COC1CCCC1)CS(=O)(=O)NCCCC(=O)[O-]	REAL300007574997	0	44	-1.0	-50.85	357.73	4.35	-46.50
O=C([O-])CCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007574998	0	43	-1.0	-52.25	372.26	4.39	-47.86
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCCC(=O)[O-])=C1	REAL300007574999	0	35	-1.0	-48.16	325.14	3.28	-44.88
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCC(=O)[O-])C(OC)=C1	REAL300007575000	0	46	-1.0	-55.21	393.73	1.23	-53.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300007575435	0	36	-1.0	-57.87	315.01	3.62	-54.25
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575436	0	43	-1.0	-61.30	367.98	3.90	-57.40
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1C	REAL300007575437	0	43	-1.0	-51.96	376.67	0.61	-51.35
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007575438	0	50	-1.0	-44.62	370.91	6.13	-38.49
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300007575439	0	40	-1.0	-55.65	339.96	5.25	-50.40
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007575440	0	40	-1.0	-49.37	347.74	5.52	-43.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007575441	0	43	-1.0	-56.53	361.49	2.11	-54.42
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575442	0	46	-1.0	-63.15	402.20	4.86	-58.29
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300007575443	0	46	-1.0	-62.44	395.88	4.93	-57.51
CCCN1C=NC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300007575444	0	38	-1.0	-48.83	332.37	4.38	-44.45
COCCOCCOCCS(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575445	0	46	-1.0	-58.18	387.14	1.69	-56.49
COCCN(CC(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300007575446	0	48	-1.0	-43.03	383.64	5.00	-38.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300007575447	0	39	-1.0	-52.92	352.02	3.87	-49.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007575448	0	40	-1.0	-48.61	343.22	1.40	-47.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300007575449	0	36	-1.0	-53.70	334.58	3.50	-50.20
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007575450	0	36	-1.0	-53.49	324.77	3.88	-49.61
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300007575451	0	38	-1.0	-45.06	340.34	4.38	-40.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300007575452	0	38	-1.0	-41.26	327.42	5.60	-35.66
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300007575453	0	38	-1.0	-47.20	335.53	5.90	-41.30
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300007575454	0	38	-1.0	-43.56	339.24	5.16	-38.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300007575455	0	41	-1.0	-58.71	337.93	5.71	-53.00
COCCN(CC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300007575456	0	44	-1.0	-59.21	357.20	0.58	-58.63
CCOC1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300007575457	0	39	-1.0	-51.56	336.17	3.86	-47.70
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CCOC)N=C1	REAL300007575458	0	39	-1.0	-55.80	338.79	1.90	-53.90
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007575459	0	39	-1.0	-58.86	338.49	4.31	-54.55
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007575460	0	40	-1.0	-60.31	356.99	5.78	-54.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007575461	0	37	-1.0	-57.17	324.96	3.94	-53.23
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007575462	0	35	-1.0	-44.05	327.88	4.97	-39.08
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007575463	0	35	-1.0	-57.69	324.06	4.89	-52.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007575464	0	39	-1.0	-67.15	349.46	1.51	-65.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300007575465	0	35	-1.0	-54.76	326.50	4.86	-49.90
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300007575466	0	35	-1.0	-54.75	317.93	4.94	-49.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300007575467	0	39	-1.0	-48.15	326.35	3.56	-44.59
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300007575468	0	36	-1.0	-44.37	334.74	3.62	-40.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300007575469	0	40	-1.0	-49.93	353.38	3.39	-46.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007575470	0	35	-1.0	-55.54	323.00	3.35	-52.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007575471	0	35	-1.0	-58.40	316.97	3.18	-55.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007575472	0	43	-1.0	-48.68	362.27	4.90	-43.78
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007575473	0	35	-1.0	-61.44	322.48	2.78	-58.66
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575474	0	43	-1.0	-49.20	355.74	2.00	-47.20
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575475	0	44	-1.0	-57.31	377.83	2.97	-54.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300007575476	0	36	-1.0	-47.96	307.16	4.85	-43.11
CCC1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300007575477	0	38	-1.0	-47.85	327.70	5.08	-42.77
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007575478	0	40	-1.0	-47.21	363.75	0.41	-46.80
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575479	0	46	-1.0	-55.38	393.31	1.55	-53.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007575480	0	43	-1.0	-60.02	362.42	3.22	-56.80
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1F	REAL300007575481	0	43	-1.0	-46.41	385.22	1.30	-45.11
CCC1=CC=C(CS(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575482	0	41	-1.0	-46.45	349.47	5.80	-40.65
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CS1	REAL300007575483	0	35	-1.0	-44.25	318.30	4.23	-40.02
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007575484	0	47	-1.0	-44.41	398.55	4.07	-40.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007575485	0	44	-1.0	-47.08	371.21	3.86	-43.22
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300007575486	0	41	-1.0	-60.88	366.97	2.05	-58.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300007575487	0	42	-1.0	-65.28	369.30	1.07	-64.21
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C(C)=C1	REAL300007575488	0	41	-1.0	-47.58	345.00	5.56	-42.02
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1Br	REAL300007575489	0	39	-1.0	-48.55	356.59	4.53	-44.02
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300007575490	0	46	-1.0	-48.14	392.99	6.72	-41.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007575491	0	36	-1.0	-53.52	335.09	4.34	-49.18
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300007575492	0	39	-1.0	-59.36	353.47	4.19	-55.17
COCCN(CC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1	REAL300007575493	0	41	-1.0	-45.25	331.76	1.81	-43.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007575494	0	46	-1.0	-52.85	384.60	5.63	-47.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300007575495	0	39	-1.0	-57.71	348.13	4.74	-52.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300007575496	0	44	-1.0	-56.06	374.46	5.12	-50.94
CCS(=O)(=O)NCCS(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575497	0	39	-1.0	-52.45	346.67	-1.62	-54.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300007575498	0	38	-1.0	-45.97	336.36	4.92	-41.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007575499	0	35	-1.0	-53.90	339.79	5.54	-48.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300007575500	0	38	-1.0	-49.36	347.91	6.40	-42.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007575501	0	35	-1.0	-44.72	321.89	5.78	-38.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007575502	0	38	-1.0	-63.21	341.55	6.49	-56.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007575503	0	38	-1.0	-56.48	335.15	5.54	-50.94
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007575504	0	43	-1.0	-47.52	363.97	4.97	-42.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007575505	0	46	-1.0	-60.71	394.43	7.09	-53.62
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007575506	0	45	-1.0	-53.14	392.22	5.20	-47.94
COCCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007575507	0	43	-1.0	-50.38	382.83	0.70	-49.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300007575508	0	41	-1.0	-47.48	351.05	6.47	-41.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300007575509	0	43	-1.0	-48.63	359.41	4.29	-44.34
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007575510	0	38	-1.0	-44.92	344.27	5.57	-39.35
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007575511	0	37	-1.0	-47.79	312.70	1.72	-46.07
COCCN(CC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300007575512	0	45	-1.0	-45.36	367.57	4.10	-41.26
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300007575513	0	39	-1.0	-55.36	345.63	4.26	-51.10
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007575514	0	41	-1.0	-53.48	367.27	1.87	-51.61
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300007575515	0	36	-1.0	-48.55	340.02	5.11	-43.44
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575516	0	44	-1.0	-46.20	355.78	4.86	-41.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007575517	0	40	-1.0	-45.03	355.98	2.20	-42.83
CCC1=NOC2=NC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C12	REAL300007575518	0	39	-1.0	-48.59	345.52	2.18	-46.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007575519	0	43	-1.0	-46.22	380.80	4.31	-41.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007575520	0	37	-1.0	-45.83	328.59	3.60	-42.23
CCC1=CC(CC)=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C(CC)=C1	REAL300007575521	0	50	-1.0	-56.06	387.02	7.95	-48.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007575522	0	39	-1.0	-58.71	330.60	4.52	-54.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007575523	0	38	-1.0	-51.77	352.41	1.63	-50.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007575524	0	41	-1.0	-66.44	350.17	7.35	-59.09
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300007575525	0	39	-1.0	-54.62	326.63	3.37	-51.25
COCCN(CC(=O)[O-])S(=O)(=O)CC1(C)CCCCC1	REAL300007575526	0	44	-1.0	-56.81	328.50	5.83	-50.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007575527	0	41	-1.0	-46.15	337.48	4.81	-41.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007575529	0	40	-1.0	-49.06	354.30	4.91	-44.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300007575530	0	39	-1.0	-55.23	355.58	3.81	-51.42
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300007575531	0	38	-1.0	-62.10	334.04	5.03	-57.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007575533	0	32	-1.0	-40.32	317.54	3.84	-36.48
COCCN(CC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007575534	0	45	-1.0	-59.13	372.26	6.90	-52.23
COCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007575535	0	43	-1.0	-61.85	365.40	4.34	-57.51
COCCN(CC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007575536	0	41	-1.0	-48.66	343.96	0.80	-47.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007575537	0	35	-1.0	-54.20	320.36	4.07	-50.13
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=C(C)N=CS1	REAL300007575538	0	37	-1.0	-46.03	331.60	2.86	-43.17
COCCN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	REAL300007575539	0	42	-1.0	-45.11	327.50	5.09	-40.02
COCCN(CC(=O)[O-])S(=O)(=O)CC1CC(F)(F)C1	REAL300007575540	0	35	-1.0	-42.58	308.11	3.59	-38.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300007575541	0	44	-1.0	-56.29	363.56	5.15	-51.14
COCCN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300007575542	0	45	-1.0	-45.20	340.25	5.63	-39.57
COCCN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007575543	0	43	-1.0	-62.88	356.06	0.75	-62.13
COCCN(CC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300007575544	0	41	-1.0	-47.37	335.94	5.71	-41.66
COCCN(CC(=O)[O-])S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007575545	0	39	-1.0	-57.62	328.13	5.90	-51.72
CCC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007575546	0	40	-1.0	-53.75	347.26	5.47	-48.28
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007575547	0	32	-1.0	-51.09	290.88	4.27	-46.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007575548	0	32	-1.0	-50.87	295.45	4.37	-46.50
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007575549	0	34	-1.0	-42.80	313.02	4.32	-38.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007575550	0	38	-1.0	-56.91	329.69	5.86	-51.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007575551	0	34	-1.0	-52.43	313.03	4.31	-48.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300007575552	0	37	-1.0	-54.18	320.27	4.70	-49.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1	REAL300007575553	0	36	-1.0	-54.42	303.63	3.06	-51.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007575554	0	34	-1.0	-51.61	296.70	4.95	-46.66
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575555	0	39	-1.0	-58.43	351.60	5.08	-53.35
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575556	0	39	-1.0	-54.13	325.48	3.99	-50.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300007575557	0	44	-1.0	-47.53	336.65	5.99	-41.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300007575558	0	41	-1.0	-46.79	327.89	5.67	-41.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300007575559	0	47	-1.0	-55.88	362.71	7.13	-48.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007575560	0	35	-1.0	-47.84	323.87	4.67	-43.17
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007575561	0	35	-1.0	-52.06	299.77	5.54	-46.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007575562	0	32	-1.0	-46.88	301.56	4.16	-42.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300007575563	0	37	-1.0	-57.26	315.34	4.18	-53.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1C	REAL300007575564	0	38	-1.0	-47.50	317.86	5.56	-41.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C)=C1	REAL300007575565	0	38	-1.0	-48.06	323.24	4.85	-43.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1C	REAL300007575566	0	38	-1.0	-45.42	310.09	5.27	-40.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300007575567	0	38	-1.0	-43.60	340.32	4.38	-39.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007575568	0	44	-1.0	-54.19	350.37	6.08	-48.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300007575569	0	41	-1.0	-47.08	345.04	5.58	-41.50
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007575570	0	43	-1.0	-55.39	369.76	1.75	-53.64
CCCC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575571	0	41	-1.0	-54.56	338.56	5.97	-48.59
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC	REAL300007575572	0	36	-1.0	-47.07	303.03	4.63	-42.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300007575573	0	36	-1.0	-48.68	334.72	3.61	-45.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300007575574	0	35	-1.0	-44.16	324.31	4.83	-39.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300007575575	0	46	-1.0	-48.42	394.91	7.15	-41.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007575576	0	36	-1.0	-50.07	320.12	3.56	-46.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300007575577	0	47	-1.0	-56.08	348.20	6.20	-49.88
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007575578	0	41	-1.0	-48.90	347.61	3.58	-45.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300007575579	0	48	-1.0	-60.16	384.76	5.86	-54.30
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300007575580	0	37	-1.0	-53.82	329.02	4.83	-48.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300007575581	0	36	-1.0	-57.57	329.91	4.17	-53.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300007575582	0	50	-1.0	-47.08	382.68	7.32	-39.76
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007575583	0	35	-1.0	-43.07	323.56	4.65	-38.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007575584	0	42	-1.0	-55.99	346.50	6.07	-49.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300007575585	0	40	-1.0	-60.83	338.08	2.84	-57.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300007575586	0	40	-1.0	-49.97	343.53	2.84	-47.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007575587	0	39	-1.0	-56.75	329.33	5.49	-51.26
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007575588	0	40	-1.0	-56.25	334.11	5.86	-50.39
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007575589	0	37	-1.0	-47.53	320.18	4.31	-43.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300007575590	0	47	-1.0	-54.44	377.61	7.25	-47.19
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1OCC	REAL300007575591	0	46	-1.0	-47.49	387.24	4.69	-42.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007575592	0	37	-1.0	-56.68	328.34	-1.28	-57.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1	REAL300007575593	0	40	-1.0	-52.94	348.19	5.43	-47.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300007575594	0	40	-1.0	-46.97	336.18	5.25	-41.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300007575595	0	40	-1.0	-67.42	341.73	5.39	-62.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300007575596	0	38	-1.0	-48.29	326.15	4.26	-44.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300007575597	0	36	-1.0	-43.47	319.63	5.14	-38.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007575598	0	37	-1.0	-56.97	339.05	-1.41	-58.38
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007575599	0	44	-1.0	-47.18	392.32	1.44	-45.74
COCCN(CC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007575600	0	40	-1.0	-57.21	349.24	5.07	-52.14
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007575601	0	41	-1.0	-53.51	338.36	4.76	-48.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300007575602	0	40	-1.0	-48.33	328.18	4.40	-43.93
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300007575603	0	40	-1.0	-68.48	337.99	6.42	-62.06
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007575604	0	43	-1.0	-62.28	380.11	1.55	-60.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007575605	0	44	-1.0	-67.24	370.27	2.91	-64.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007575606	0	38	-1.0	-61.06	345.52	1.16	-59.90
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007575607	0	42	-1.0	-60.44	350.96	7.50	-52.94
COCCN(CC(=O)[O-])S(=O)(=O)N1CC(C)CC(C)C1	REAL300007575608	0	43	-1.0	-54.41	332.97	4.73	-49.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007575609	0	38	-1.0	-62.00	324.86	5.99	-56.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007575610	0	42	-1.0	-53.97	357.34	6.90	-47.07
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C	REAL300007575611	0	35	-1.0	-53.54	298.50	4.11	-49.43
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007575612	0	46	-1.0	-58.85	378.30	5.84	-53.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007575613	0	33	-1.0	-63.20	306.98	2.15	-61.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300007575614	0	36	-1.0	-57.68	325.34	4.07	-53.61
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1	REAL300007575615	0	36	-1.0	-51.25	314.30	2.93	-48.32
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575616	0	47	-1.0	-47.21	375.24	6.44	-40.77
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300007575617	0	35	-1.0	-43.75	320.27	4.75	-39.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300007575618	0	42	-1.0	-53.33	343.41	4.61	-48.72
CCC1=CC=CC=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575619	0	38	-1.0	-45.31	306.40	4.79	-40.52
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007575620	0	35	-1.0	-44.12	323.31	4.86	-39.26
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007575621	0	33	-1.0	-47.07	298.78	2.47	-44.60
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007575622	0	37	-1.0	-43.87	335.72	5.99	-37.88
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007575623	0	37	-1.0	-54.85	319.65	4.72	-50.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007575624	0	43	-1.0	-50.74	390.31	7.03	-43.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300007575625	0	38	-1.0	-41.98	331.11	5.28	-36.70
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300007575626	0	36	-1.0	-50.23	320.51	3.01	-47.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300007575627	0	35	-1.0	-43.58	311.54	4.35	-39.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007575628	0	43	-1.0	-45.58	390.22	7.00	-38.58
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1	REAL300007575629	0	38	-1.0	-46.77	327.99	5.03	-41.74
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300007575630	0	47	-1.0	-47.50	403.00	5.78	-41.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300007575631	0	59	-1.0	-46.76	433.92	9.13	-37.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300007575632	0	48	-1.0	-59.45	393.33	6.91	-52.54
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007575633	0	35	-1.0	-41.79	338.49	5.32	-36.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300007575634	0	42	-1.0	-60.16	353.18	5.34	-54.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300007575635	0	37	-1.0	-40.74	316.91	5.26	-35.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300007575636	0	37	-1.0	-54.90	322.58	4.91	-49.99
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575637	0	40	-1.0	-55.90	344.67	5.96	-49.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300007575638	0	44	-1.0	-46.79	366.01	6.33	-40.46
COCCC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575639	0	42	-1.0	-54.54	350.73	4.26	-50.28
COCCN(CCOC)S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575640	0	44	-1.0	-52.72	351.76	1.08	-51.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300007575641	0	35	-1.0	-53.25	308.72	4.55	-48.70
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300007575642	0	42	-1.0	-47.84	357.84	5.37	-42.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300007575643	0	48	-1.0	-53.52	386.04	6.09	-47.43
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007575644	0	46	-1.0	-47.16	379.46	5.87	-41.29
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300007575645	0	45	-1.0	-53.68	367.08	5.49	-48.19
CCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575646	0	42	-1.0	-53.75	346.98	4.79	-48.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300007575647	0	36	-1.0	-48.70	330.30	3.49	-45.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007575648	0	36	-1.0	-46.53	340.08	3.78	-42.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300007575649	0	39	-1.0	-46.95	334.38	3.68	-43.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300007575650	0	45	-1.0	-47.04	374.16	5.23	-41.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300007575651	0	39	-1.0	-45.71	318.13	3.91	-41.80
COCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575652	0	43	-1.0	-56.49	359.11	3.26	-53.23
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300007575653	0	35	-1.0	-59.44	312.58	4.36	-55.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300007575654	0	35	-1.0	-41.74	309.96	5.23	-36.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300007575655	0	40	-1.0	-62.05	324.15	6.14	-55.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300007575656	0	41	-1.0	-63.49	352.76	1.55	-61.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007575657	0	44	-1.0	-51.29	393.84	1.50	-49.79
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575658	0	40	-1.0	-56.13	350.78	-0.07	-56.20
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575659	0	40	-1.0	-50.69	340.35	1.30	-49.39
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N=C(C)S1	REAL300007575660	0	34	-1.0	-46.56	307.23	2.12	-44.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007575661	0	35	-1.0	-45.49	306.00	5.29	-40.20
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300007575662	0	36	-1.0	-44.35	320.53	3.02	-41.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007575663	0	42	-1.0	-48.06	359.00	7.05	-41.01
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007575664	0	35	-1.0	-41.83	339.53	6.28	-35.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300007575665	0	38	-1.0	-55.46	363.68	4.16	-51.30
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007575666	0	52	-1.0	-47.33	419.37	7.25	-40.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300007575667	0	40	-1.0	-53.12	331.62	6.08	-47.04
CNC(=O)C1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CN1C	REAL300007575668	0	40	-1.0	-57.89	348.28	1.23	-56.66
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300007575669	0	42	-1.0	-46.40	335.90	4.28	-42.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007575670	0	43	-1.0	-55.96	363.25	8.40	-47.56
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300007575671	0	42	-1.0	-56.70	349.67	4.46	-52.24
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300007575672	0	40	-1.0	-57.48	325.45	4.62	-52.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007575673	0	37	-1.0	-51.49	308.13	3.69	-47.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007575674	0	45	-1.0	-51.52	384.62	7.48	-44.04
CCN1C=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007575675	0	37	-1.0	-62.72	337.67	4.38	-58.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007575676	0	39	-1.0	-55.67	345.05	4.45	-51.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007575677	0	46	-1.0	-55.10	385.39	7.05	-48.05
CCC(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300007575678	0	40	-1.0	-58.94	347.87	4.90	-54.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007575679	0	42	-1.0	-54.81	370.33	5.14	-49.67
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007575680	0	35	-1.0	-73.95	306.07	2.55	-71.40
COCCN(CC(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300007575681	0	54	-1.0	-43.94	416.74	7.09	-36.85
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C)=C1	REAL300007575682	0	38	-1.0	-46.77	327.98	5.02	-41.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007575683	0	40	-1.0	-58.07	347.69	0.46	-57.61
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007575684	0	35	-1.0	-44.17	312.99	4.41	-39.76
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C	REAL300007575685	0	38	-1.0	-59.28	322.95	4.90	-54.38
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C2=CC=CC=C12	REAL300007575686	0	45	-1.0	-59.70	375.03	6.26	-53.44
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575687	0	42	-1.0	-61.43	351.74	5.13	-56.30
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007575688	0	37	-1.0	-63.41	332.06	3.75	-59.66
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007575689	0	39	-1.0	-56.77	344.90	4.69	-52.08
CCOCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575690	0	46	-1.0	-56.53	380.97	4.23	-52.30
CCCCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575691	0	48	-1.0	-53.58	389.98	6.35	-47.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007575692	0	42	-1.0	-58.44	340.32	6.23	-52.21
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007575693	0	38	-1.0	-58.06	331.94	5.41	-52.65
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007575694	0	36	-1.0	-50.33	330.51	5.23	-45.10
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007575695	0	37	-1.0	-54.29	309.92	3.05	-51.24
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007575696	0	40	-1.0	-58.14	346.47	4.89	-53.25
COCCN(CC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007575697	0	38	-1.0	-66.57	323.47	-0.06	-66.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007575698	0	37	-1.0	-60.86	332.05	3.76	-57.10
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C(C)=C1	REAL300007575699	0	42	-1.0	-46.32	342.12	4.29	-42.03
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300007575700	0	40	-1.0	-57.76	361.42	-0.19	-57.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007575701	0	36	-1.0	-49.83	317.67	3.79	-46.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C=C1	REAL300007575702	0	36	-1.0	-54.00	314.32	4.79	-49.21
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007575703	0	38	-1.0	-43.86	345.64	5.37	-38.49
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575704	0	43	-1.0	-57.82	351.48	5.24	-52.58
CCN1C=C(S(=O)(=O)N(CCOC)CC(=O)[O-])N=C1C	REAL300007575705	0	38	-1.0	-51.05	330.04	4.28	-46.77
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007575706	0	38	-1.0	-50.53	322.69	3.30	-47.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007575707	0	37	-1.0	-47.02	307.49	4.10	-42.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007575708	0	44	-1.0	-58.16	373.39	5.44	-52.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300007575709	0	38	-1.0	-42.88	339.24	5.17	-37.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007575710	0	38	-1.0	-58.87	356.78	4.39	-54.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007575711	0	41	-1.0	-58.18	348.56	5.19	-52.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300007575712	0	40	-1.0	-46.49	350.55	4.20	-42.29
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1OC	REAL300007575713	0	39	-1.0	-60.21	352.18	4.20	-56.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300007575714	0	39	-1.0	-48.74	339.88	3.37	-45.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007575715	0	43	-1.0	-51.86	359.14	5.01	-46.85
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007575716	0	35	-1.0	-58.09	320.85	4.77	-53.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007575717	0	44	-1.0	-57.35	381.38	2.14	-55.21
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007575718	0	39	-1.0	-43.98	352.58	4.15	-39.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007575719	0	40	-1.0	-64.43	347.33	4.45	-59.98
COCCN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007575720	0	35	-1.0	-48.74	333.48	5.26	-43.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300007575721	0	40	-1.0	-55.14	340.84	4.20	-50.94
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575722	0	44	-1.0	-44.22	335.36	6.28	-37.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300007575723	0	44	-1.0	-55.69	364.13	2.11	-53.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007575724	0	43	-1.0	-47.70	390.22	6.99	-40.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007575725	0	38	-1.0	-48.32	350.68	5.17	-43.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007575726	0	38	-1.0	-58.54	367.11	4.84	-53.70
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300007575727	0	41	-1.0	-57.79	360.15	2.65	-55.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007575728	0	35	-1.0	-43.86	319.41	3.03	-40.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007575729	0	35	-1.0	-57.78	313.98	4.00	-53.78
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007575730	0	35	-1.0	-53.29	309.82	2.24	-51.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)N=C1	REAL300007575731	0	35	-1.0	-53.33	310.99	0.27	-53.06
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2CCCN12	REAL300007575732	0	36	-1.0	-53.59	308.62	2.88	-50.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007575733	0	40	-1.0	-55.56	337.47	4.21	-51.35
COCCN(CC(=O)[O-])S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007575734	0	39	-1.0	-57.05	323.67	5.28	-51.77
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300007575735	0	42	-1.0	-48.40	366.48	6.27	-42.13
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007575736	0	40	-1.0	-44.31	358.58	4.76	-39.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300007575737	0	37	-1.0	-42.81	329.01	4.83	-37.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300007575738	0	43	-1.0	-55.90	364.93	4.43	-51.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007575739	0	34	-1.0	-54.70	315.82	3.06	-51.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300007575740	0	40	-1.0	-49.21	336.28	4.04	-45.17
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300007575741	0	41	-1.0	-56.70	351.02	6.51	-50.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CS1	REAL300007575742	0	33	-1.0	-49.55	305.29	2.69	-46.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300007575743	0	40	-1.0	-49.72	336.33	4.04	-45.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007575744	0	37	-1.0	-50.65	312.26	4.57	-46.08
COCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007575745	0	37	-1.0	-60.44	330.63	3.66	-56.78
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007575746	0	37	-1.0	-56.05	319.57	3.43	-52.62
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007575747	0	38	-1.0	-57.18	345.50	5.62	-51.56
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007575748	0	44	-1.0	-52.13	359.02	4.18	-47.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007575749	0	34	-1.0	-52.26	318.55	2.81	-49.45
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300007575750	0	40	-1.0	-64.81	336.03	4.10	-60.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300007575751	0	40	-1.0	-43.45	336.45	5.21	-38.24
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300007575752	0	40	-1.0	-57.40	333.61	6.43	-50.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300007575753	0	40	-1.0	-52.53	339.68	5.48	-47.05
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(OC)C=C1	REAL300007575754	0	42	-1.0	-58.48	358.28	4.40	-54.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=CC(OC)=C1	REAL300007575755	0	35	-1.0	-53.95	308.40	1.05	-52.90
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007575756	0	41	-1.0	-45.84	357.95	5.30	-40.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007575757	0	39	-1.0	-55.53	333.00	5.69	-49.84
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300007575758	0	40	-1.0	-50.54	343.25	3.09	-47.45
COCCN(CC(=O)[O-])S(=O)(=O)CCC1CCCCC1	REAL300007575759	0	44	-1.0	-57.46	349.55	5.29	-52.17
COCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(C)C=C1	REAL300007575760	0	41	-1.0	-57.67	350.18	5.78	-51.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300007575761	0	38	-1.0	-44.13	314.64	3.28	-40.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007575762	0	35	-1.0	-51.17	304.52	5.05	-46.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300007575763	0	36	-1.0	-44.29	330.34	3.50	-40.79
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007575764	0	38	-1.0	-59.34	333.02	4.98	-54.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300007575765	0	40	-1.0	-64.20	331.11	5.00	-59.20
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300007575766	0	37	-1.0	-48.51	327.90	2.14	-46.37
CCC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1CC	REAL300007575767	0	44	-1.0	-48.74	361.87	6.21	-42.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300007575768	0	40	-1.0	-42.64	334.67	5.67	-36.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300007575769	0	42	-1.0	-59.32	341.32	5.09	-54.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)S1	REAL300007575770	0	35	-1.0	-56.14	317.24	4.00	-52.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007575771	0	33	-1.0	-51.22	306.04	1.47	-49.75
CCC1=NC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])S1	REAL300007575772	0	34	-1.0	-52.94	314.33	2.14	-50.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300007575773	0	39	-1.0	-56.78	332.21	3.44	-53.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)S1	REAL300007575774	0	35	-1.0	-56.65	310.58	4.15	-52.50
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007575775	0	38	-1.0	-51.57	327.80	5.61	-45.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007575776	0	35	-1.0	-47.10	297.61	3.30	-43.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300007575777	0	38	-1.0	-44.18	331.29	5.82	-38.36
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007575778	0	39	-1.0	-48.32	340.80	3.41	-44.91
COCCN(CC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007575779	0	45	-1.0	-45.21	383.60	5.19	-40.02
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007575780	0	36	-1.0	-51.90	314.28	3.57	-48.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007575781	0	34	-1.0	-51.58	312.30	3.42	-48.16
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CSC(C)=N1	REAL300007575782	0	34	-1.0	-46.95	313.16	2.04	-44.91
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007575783	0	35	-1.0	-43.68	323.31	4.88	-38.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300007575784	0	35	-1.0	-44.21	320.27	4.74	-39.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007575785	0	38	-1.0	-49.40	332.93	4.62	-44.78
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300007575786	0	41	-1.0	-56.08	370.01	5.05	-51.03
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007575787	0	40	-1.0	-61.86	332.23	4.95	-56.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007575788	0	39	-1.0	-61.90	339.11	1.62	-60.28
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007575789	0	41	-1.0	-51.52	341.35	4.02	-47.50
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007575790	0	35	-1.0	-57.26	327.14	4.85	-52.41
CCC(C)OC1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300007575791	0	45	-1.0	-52.33	374.84	5.30	-47.03
COCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCCC1	REAL300007575792	0	45	-1.0	-57.59	361.39	3.94	-53.65
COCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCCCC1	REAL300007575793	0	48	-1.0	-57.99	375.21	4.62	-53.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007575794	0	46	-1.0	-51.26	402.28	6.99	-44.27
CCOC(CS(=O)(=O)N(CCOC)CC(=O)[O-])C1CC1	REAL300007575795	0	42	-1.0	-59.80	347.61	3.91	-55.89
CCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1C(C)C	REAL300007575796	0	51	-1.0	-46.55	416.27	6.69	-39.86
CCC1=NC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CN1CC1CC1	REAL300007575797	0	45	-1.0	-62.88	368.07	5.35	-57.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007575798	0	35	-1.0	-47.61	324.76	3.14	-44.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300007575799	0	40	-1.0	-55.22	340.60	5.60	-49.62
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007575800	0	39	-1.0	-52.45	328.03	3.46	-48.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007575801	0	45	-1.0	-52.58	374.06	5.96	-46.62
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007575802	0	35	-1.0	-43.95	322.40	2.96	-40.99
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007575803	0	43	-1.0	-58.21	384.40	7.68	-50.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007575804	0	42	-1.0	-62.95	349.58	7.09	-55.86
CCC1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C(C)C=C1OC	REAL300007575805	0	45	-1.0	-54.34	362.86	4.79	-49.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007575806	0	38	-1.0	-50.08	345.37	5.63	-44.45
COCCN(CC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007575807	0	34	-1.0	-61.86	308.83	2.49	-59.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300007575808	0	41	-1.0	-49.43	332.80	6.60	-42.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300007575809	0	41	-1.0	-51.95	352.98	2.09	-49.86
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300007575810	0	36	-1.0	-56.53	312.34	3.79	-52.74
CCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1C(C)C	REAL300007575811	0	48	-1.0	-46.87	394.77	5.89	-40.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007575812	0	44	-1.0	-43.82	363.03	5.90	-37.92
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007575813	0	51	-1.0	-46.05	408.44	8.16	-37.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007575814	0	42	-1.0	-47.65	341.25	4.12	-43.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007575815	0	44	-1.0	-57.30	357.02	4.01	-53.29
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007575816	0	42	-1.0	-45.48	351.50	4.65	-40.83
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007575817	0	35	-1.0	-46.04	311.31	2.34	-43.70
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300007575818	0	39	-1.0	-60.46	341.85	3.75	-56.71
C=CCCC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1	REAL300007575819	0	42	-1.0	-54.67	351.37	6.53	-48.14
CCC1=NN(C)C=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575820	0	38	-1.0	-56.74	331.56	2.70	-54.04
CCCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1C(C)C	REAL300007575821	0	54	-1.0	-48.25	437.76	7.48	-40.77
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007575822	0	36	-1.0	-54.44	334.75	5.38	-49.06
CCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1C(C)(C)C	REAL300007575823	0	54	-1.0	-46.77	428.81	7.35	-39.42
CCCOC1=CC=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C=C1CC	REAL300007575824	0	48	-1.0	-48.10	399.34	6.16	-41.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300007575825	0	38	-1.0	-43.50	323.17	5.51	-37.99
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300007575826	0	38	-1.0	-57.65	344.36	5.52	-52.13
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007575827	0	36	-1.0	-47.83	331.56	5.27	-42.56
CCCC1=CC=CC=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575828	0	41	-1.0	-45.80	329.28	5.59	-40.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OC	REAL300007575829	0	35	-1.0	-48.76	305.68	0.91	-47.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300007575830	0	48	-1.0	-55.09	395.07	6.24	-48.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007575831	0	37	-1.0	-54.22	307.89	3.51	-50.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC=C1C	REAL300007575832	0	35	-1.0	-44.90	303.22	4.19	-40.71
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007575833	0	39	-1.0	-47.13	334.96	3.31	-43.82
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007575834	0	39	-1.0	-45.35	329.64	4.10	-41.25
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007575835	0	42	-1.0	-52.93	350.42	3.99	-48.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007575836	0	43	-1.0	-51.77	358.16	1.72	-50.05
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007575837	0	38	-1.0	-54.46	351.15	4.46	-50.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300007575838	0	39	-1.0	-53.03	324.51	3.59	-49.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300007575839	0	48	-1.0	-58.12	387.82	5.70	-52.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300007575840	0	42	-1.0	-59.16	353.64	5.12	-54.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300007575841	0	40	-1.0	-50.61	338.26	4.34	-46.27
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007575842	0	40	-1.0	-53.02	353.00	3.22	-49.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007575843	0	38	-1.0	-59.26	334.38	4.14	-55.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300007575844	0	37	-1.0	-63.66	306.07	2.97	-60.69
COCCN(CC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007575845	0	41	-1.0	-53.01	324.19	3.40	-49.61
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007575846	0	36	-1.0	-59.49	336.02	4.07	-55.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007575847	0	33	-1.0	-40.86	299.67	2.43	-38.43
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007575848	0	35	-1.0	-50.37	323.36	5.93	-44.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007575849	0	39	-1.0	-48.38	335.89	3.40	-44.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300007575850	0	41	-1.0	-54.61	330.25	5.57	-49.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300007575851	0	40	-1.0	-58.93	335.33	3.52	-55.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=COC2=CC=CC=C12	REAL300007575852	0	35	-1.0	-57.72	310.97	3.80	-53.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007575853	0	45	-1.0	-48.58	366.88	4.39	-44.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300007575854	0	44	-1.0	-46.71	358.93	4.89	-41.82
CCCCN1C=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C(C)=N1	REAL300007575855	0	44	-1.0	-46.53	367.05	5.02	-41.51
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007575856	0	39	-1.0	-49.72	334.21	3.32	-46.40
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007575857	0	36	-1.0	-54.38	313.38	3.34	-51.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007575858	0	37	-1.0	-72.01	326.98	2.21	-69.80
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300007575859	0	38	-1.0	-45.46	330.27	5.24	-40.22
COCCN(CC(=O)[O-])S(=O)(=O)N1CCCC(C)(C)C1	REAL300007575860	0	43	-1.0	-55.14	333.49	4.66	-50.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007575861	0	38	-1.0	-51.61	349.37	4.66	-46.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007575862	0	42	-1.0	-48.92	350.04	4.46	-44.46
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300007575863	0	50	-1.0	-59.05	398.18	7.58	-51.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007575864	0	38	-1.0	-47.61	356.02	5.51	-42.10
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007575865	0	42	-1.0	-54.03	353.01	4.93	-49.10
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007575866	0	36	-1.0	-57.51	322.94	4.87	-52.64
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007575867	0	43	-1.0	-48.11	376.49	6.48	-41.63
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300007575868	0	41	-1.0	-73.56	347.46	4.85	-68.71
CCCC1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300007575869	0	41	-1.0	-47.97	349.20	5.86	-42.11
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007575870	0	39	-1.0	-48.50	327.57	3.42	-45.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1C	REAL300007575871	0	38	-1.0	-55.27	302.38	4.79	-50.48
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007575872	0	41	-1.0	-53.15	328.58	3.28	-49.87
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007575873	0	41	-1.0	-46.58	349.00	4.19	-42.39
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007575874	0	39	-1.0	-52.79	318.15	2.60	-50.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300007575875	0	37	-1.0	-46.52	335.75	3.46	-43.06
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007575876	0	35	-1.0	-50.16	328.92	4.64	-45.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1C	REAL300007575877	0	38	-1.0	-57.64	316.72	4.98	-52.66
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300007575878	0	43	-1.0	-58.68	369.37	5.67	-53.01
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007575879	0	43	-1.0	-47.53	347.74	6.55	-40.98
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007575880	0	38	-1.0	-53.47	343.64	4.55	-48.92
COCCN(CC(=O)[O-])S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007575881	0	38	-1.0	-46.86	328.55	4.63	-42.23
COCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007575882	0	39	-1.0	-51.22	335.87	1.99	-49.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007575883	0	32	-1.0	-57.24	306.65	3.82	-53.42
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007575884	0	39	-1.0	-46.79	334.04	5.75	-41.04
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)SC=C1	REAL300007575885	0	33	-1.0	-45.05	298.27	3.52	-41.53
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007575886	0	42	-1.0	-52.39	351.89	4.27	-48.12
CCC(C)N1N=CC=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575887	0	41	-1.0	-50.28	335.29	3.60	-46.68
COCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300007575888	0	46	-1.0	-44.48	351.70	4.51	-39.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007575889	0	46	-1.0	-56.99	376.73	2.69	-54.30
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007575890	0	38	-1.0	-51.10	338.03	5.17	-45.93
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007575891	0	36	-1.0	-49.82	324.06	3.22	-46.60
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007575892	0	47	-1.0	-44.71	379.78	6.27	-38.44
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)S1	REAL300007575893	0	33	-1.0	-45.21	308.74	2.09	-43.12
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300007575894	0	43	-1.0	-54.08	349.26	5.68	-48.40
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007575895	0	40	-1.0	-55.88	339.20	3.65	-52.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CCF)N=C1	REAL300007575896	0	35	-1.0	-55.77	311.71	2.99	-52.78
CCOCC1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300007575897	0	42	-1.0	-48.88	361.74	4.33	-44.55
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007575898	0	42	-1.0	-52.54	360.04	4.81	-47.73
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007575899	0	45	-1.0	-45.67	370.42	5.24	-40.43
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007575900	0	43	-1.0	-47.66	373.49	6.49	-41.17
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CF	REAL300007575901	0	35	-1.0	-58.93	305.39	4.61	-54.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300007575902	0	38	-1.0	-44.76	341.96	6.22	-38.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300007575903	0	41	-1.0	-62.03	342.59	6.51	-55.52
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007575904	0	42	-1.0	-48.13	357.09	4.80	-43.33
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007575905	0	36	-1.0	-54.97	324.43	4.93	-50.04
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007575906	0	36	-1.0	-54.38	339.31	5.48	-48.90
COCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007575907	0	36	-1.0	-54.36	339.31	5.49	-48.87
COCCN(CC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007575908	0	37	-1.0	-46.53	326.02	-2.42	-48.95
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007575909	0	35	-1.0	-58.07	312.91	4.05	-54.02
COCCN(CC(=O)[O-])S(=O)(=O)C1CCC(F)(F)CC1	REAL300007575910	0	38	-1.0	-60.17	316.48	4.02	-56.15
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007575911	0	34	-1.0	-52.65	315.68	3.03	-49.62
COCCN(CC(=O)[O-])S(=O)(=O)CCOC1CCOC1	REAL300007575912	0	40	-1.0	-48.67	337.66	0.83	-47.84
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300007575913	0	41	-1.0	-60.64	356.97	2.67	-57.97
COCCN(CC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007575914	0	49	-1.0	-59.99	360.51	6.48	-53.51
COCCN(CC(=O)[O-])S(=O)(=O)CC1CC(C)(C)CO1	REAL300007575915	0	42	-1.0	-60.13	338.95	3.77	-56.36
COCCN(CC(=O)[O-])S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007575916	0	35	-1.0	-66.05	314.50	-0.71	-66.76
COCCN(CC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007575917	0	40	-1.0	-48.38	321.81	4.08	-44.30
COCCN(CC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300007575918	0	40	-1.0	-56.38	353.30	0.45	-55.93
COCCN(CC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007575919	0	45	-1.0	-59.54	355.87	4.23	-55.31
COCCN(CC(=O)[O-])S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007575920	0	42	-1.0	-44.27	353.34	5.93	-38.34
COCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007575921	0	36	-1.0	-65.57	331.49	2.65	-62.92
COCCN(CC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007575922	0	42	-1.0	-59.72	366.82	6.51	-53.21
COCCN(CC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007575923	0	41	-1.0	-61.73	333.99	1.34	-60.39
COCCN(CC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007575924	0	45	-1.0	-57.98	351.06	5.60	-52.38
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007575925	0	36	-1.0	-56.11	328.06	4.92	-51.19
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007575926	0	54	-1.0	-48.77	414.38	7.80	-40.97
COCCN(CC(=O)[O-])S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300007575927	0	43	-1.0	-55.91	361.72	4.67	-51.24
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300007575928	0	37	-1.0	-58.31	332.35	1.52	-56.79
COCCN(CC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007575929	0	44	-1.0	-52.85	332.50	3.86	-48.99
COCCN(CC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007575930	0	43	-1.0	-45.30	363.02	5.42	-39.88
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007575931	0	36	-1.0	-55.55	329.15	4.59	-50.96
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300007575932	0	36	-1.0	-48.58	322.50	3.21	-45.37
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007575933	0	36	-1.0	-45.52	330.28	3.29	-42.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007575934	0	38	-1.0	-54.28	325.09	3.47	-50.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007575935	0	39	-1.0	-60.33	337.47	5.36	-54.97
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007575936	0	41	-1.0	-53.94	362.64	4.07	-49.87
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300007575937	0	45	-1.0	-57.27	371.78	5.88	-51.39
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007575938	0	43	-1.0	-58.88	374.20	6.50	-52.38
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007575939	0	38	-1.0	-53.39	316.74	5.06	-48.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007575940	0	33	-1.0	-46.74	315.76	3.42	-43.32
C=C(C)COC1=CC=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300007575941	0	43	-1.0	-52.55	368.47	5.26	-47.29
CCN1C=C(S(=O)(=O)N(CCOC)CC(=O)[O-])C(C2CC2)=N1	REAL300007575942	0	42	-1.0	-49.53	355.75	4.19	-45.34
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300007575943	0	36	-1.0	-46.41	315.78	2.69	-43.72
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007575944	0	38	-1.0	-54.83	346.36	6.36	-48.47
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007575945	0	42	-1.0	-54.07	374.70	7.51	-46.56
COCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007575946	0	31	-1.0	-41.24	311.63	2.47	-38.77
CCC1=CC(S(=O)(=O)N(CCOC)CC(=O)[O-])=CC=C1Br	REAL300007575947	0	38	-1.0	-44.28	343.84	5.52	-38.76
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300007575948	0	45	-1.0	-46.98	365.86	4.67	-42.31
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CS1	REAL300007575949	0	29	-1.0	-43.66	293.78	3.16	-40.50
COCCC1=CC=C(OC)C(S(=O)(=O)N(CCOC)CC(=O)[O-])=C1	REAL300007575950	0	46	-1.0	-60.94	385.18	4.05	-56.89
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007575951	0	38	-1.0	-47.75	335.45	6.21	-41.54
COCCN(CC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007575952	0	40	-1.0	-49.32	330.93	1.99	-47.33
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007575953	0	39	-1.0	-58.13	318.37	5.29	-52.84
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C)(C)CC1	REAL300007575954	0	43	-1.0	-54.85	336.08	3.65	-51.20
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007575955	0	47	-1.0	-53.56	376.02	4.15	-49.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300007575956	0	35	-1.0	-54.43	323.16	1.43	-53.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300007575957	0	38	-1.0	-47.63	332.14	1.05	-46.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300007575958	0	41	-1.0	-57.35	351.75	3.67	-53.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300007575959	0	41	-1.0	-56.31	347.17	3.16	-53.15
COCCN(CC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007575960	0	42	-1.0	-55.29	335.00	1.22	-54.07
COCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC(COC)=C1	REAL300007575961	0	38	-1.0	-59.34	337.86	1.49	-57.85
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007575962	0	37	-1.0	-54.98	339.22	5.57	-49.41
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007575963	0	43	-1.0	-56.97	359.29	4.03	-52.94
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)C	REAL300007575964	0	38	-1.0	-43.76	318.91	2.68	-41.08
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007575965	0	39	-1.0	-45.02	330.19	4.34	-40.68
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007575966	0	39	-1.0	-53.85	338.68	4.85	-49.00
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007575967	0	34	-1.0	-56.34	315.08	2.57	-53.77
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007575968	0	37	-1.0	-64.55	316.17	3.89	-60.66
COCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300007575969	0	41	-1.0	-51.32	342.14	4.11	-47.21
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300007575970	0	46	-1.0	-48.12	394.40	7.20	-40.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007575971	0	37	-1.0	-62.43	323.41	4.11	-58.32
COCCN(CC(=O)[O-])S(=O)(=O)C1=NC=C(C)C=C1C	REAL300007575972	0	37	-1.0	-46.98	312.73	3.03	-43.95
COCCN(CC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300007575973	0	35	-1.0	-53.42	314.72	3.25	-50.17
COCCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007575974	0	40	-1.0	-47.32	342.49	-0.58	-47.90
COCCN(CC(=O)[O-])S(=O)(=O)N1CC2CCC(C1)O2	REAL300007575975	0	39	-1.0	-51.78	289.20	1.09	-50.69
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(C#N)CC1	REAL300007575976	0	38	-1.0	-59.57	320.94	3.00	-56.57
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=N1	REAL300007575977	0	35	-1.0	-49.55	304.18	1.74	-47.81
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300007575978	0	39	-1.0	-50.04	329.14	3.81	-46.23
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=N1	REAL300007575979	0	35	-1.0	-56.85	312.31	1.01	-55.84
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300007575980	0	38	-1.0	-53.68	345.55	1.93	-51.75
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007575981	0	37	-1.0	-57.15	320.57	4.09	-53.06
CCOC1=CC=CN=C1S(=O)(=O)N(CCOC)CC(=O)[O-]	REAL300007575982	0	38	-1.0	-54.02	327.85	3.11	-50.91
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300007575983	0	40	-1.0	-55.83	337.41	5.25	-50.58
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007575984	0	36	-1.0	-49.96	313.99	3.44	-46.52
COCCN(CC(=O)[O-])S(=O)(=O)N1CCC(F)(F)C1	REAL300007575985	0	34	-1.0	-47.16	297.49	2.00	-45.16
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007575986	0	34	-1.0	-54.33	315.18	3.41	-50.92
COCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007575987	0	39	-1.0	-59.55	353.70	4.46	-55.09
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300007575988	0	45	-1.0	-61.98	368.67	5.71	-56.27
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC=C1	REAL300007575989	0	38	-1.0	-55.67	331.04	7.94	-47.73
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC(F)=C1	REAL300007575990	0	38	-1.0	-55.09	341.33	8.24	-46.85
CC(=O)C1=CC=CC(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300007575991	0	43	-1.0	-65.05	375.40	8.56	-56.49
CCCCN(C)S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007575992	0	45	-1.0	-53.53	368.19	7.41	-46.12
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=CS1	REAL300007575993	0	35	-1.0	-44.39	328.18	7.23	-37.16
CCC(C)C1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300007575994	0	50	-1.0	-54.60	413.56	10.76	-43.84
CC1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300007575995	0	38	-1.0	-44.47	349.78	8.01	-36.46
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)C1=CC=C(Cl)S1	REAL300007575996	0	35	-1.0	-50.38	340.02	7.57	-42.81
COC1=CC=C(C)C=C1S(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007575997	0	45	-1.0	-49.30	380.32	8.76	-40.54
O=C([O-])CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCOCC1	REAL300007575998	0	41	-1.0	-53.13	340.77	4.76	-48.37
CS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300007575999	0	44	-1.0	-60.50	395.57	5.69	-54.81
COC1=CC(C)=C(S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)[O-])C=C1OC	REAL300007576000	0	49	-1.0	-47.14	400.21	7.77	-39.37
CC1=C(Br)C=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007576565	0	33	-1.0	-47.34	318.50	4.68	-42.66
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576566	0	39	-1.0	-52.79	343.30	2.96	-49.83
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300007576567	0	39	-1.0	-52.92	345.31	-0.16	-53.08
CC(CNS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007576568	0	46	-1.0	-44.40	341.77	4.57	-39.83
CC1=NC2=C(S(=O)(=O)NCC(C)C(=O)[O-])C=CC=C2C=C1	REAL300007576569	0	36	-1.0	-55.76	306.15	4.55	-51.21
CC(CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007576570	0	36	-1.0	-58.94	319.18	4.80	-54.14
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300007576571	0	46	-1.0	-51.17	395.37	5.43	-45.74
CC(CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007576572	0	39	-1.0	-49.41	331.79	1.43	-47.98
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576573	0	42	-1.0	-51.27	364.70	3.95	-47.32
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576574	0	42	-1.0	-51.75	371.37	4.16	-47.59
COCCOCCOCCS(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576575	0	42	-1.0	-51.36	361.87	0.22	-51.14
CC(COC1CCCC1)CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576576	0	44	-1.0	-46.11	354.57	4.23	-41.88
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007576577	0	43	-1.0	-51.47	376.25	4.18	-47.29
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576578	0	35	-1.0	-45.66	321.98	3.17	-42.49
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(OC)=C1	REAL300007576579	0	46	-1.0	-50.53	391.44	1.13	-49.40
CC(CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007576580	0	36	-1.0	-46.65	312.67	0.63	-46.02
COC1=CC(Br)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576581	0	32	-1.0	-46.16	304.55	2.79	-43.37
CC(CNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007576582	0	32	-1.0	-43.97	290.93	3.08	-40.89
COC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007576583	0	34	-1.0	-47.75	308.97	3.62	-44.13
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576584	0	34	-1.0	-44.75	307.24	4.76	-39.99
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576585	0	34	-1.0	-48.94	307.26	4.80	-44.14
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007576586	0	34	-1.0	-45.74	308.69	4.41	-41.33
CC(CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007576587	0	35	-1.0	-51.79	318.13	3.42	-48.37
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1C	REAL300007576588	0	55	-1.0	-49.05	441.95	7.50	-41.55
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1F	REAL300007576589	0	42	-1.0	-48.71	365.33	0.83	-47.88
CC(CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007576590	0	36	-1.0	-50.15	327.23	5.03	-45.12
CC(CNS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007576591	0	31	-1.0	-47.70	298.80	4.19	-43.51
CC(CNS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007576592	0	31	-1.0	-46.78	294.29	4.13	-42.65
CC(CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007576593	0	35	-1.0	-57.57	319.25	0.75	-56.82
CC1=CC(Br)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576594	0	31	-1.0	-46.68	297.34	4.17	-42.51
CC1=C(Br)C=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576595	0	31	-1.0	-46.27	286.92	4.18	-42.09
COC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1Br	REAL300007576596	0	32	-1.0	-46.16	303.38	2.85	-43.31
COC1=CC(OC)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300007576597	0	36	-1.0	-46.48	319.52	2.59	-43.89
CC(CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007576598	0	31	-1.0	-49.62	297.71	1.92	-47.70
CC(CNS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007576599	0	39	-1.0	-46.81	332.09	4.14	-42.67
CC(CNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007576600	0	31	-1.0	-54.08	288.63	1.87	-52.21
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576601	0	39	-1.0	-49.76	320.88	0.89	-48.87
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1I	REAL300007576602	0	31	-1.0	-48.41	299.61	4.54	-43.87
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576603	0	40	-1.0	-53.37	357.41	2.08	-51.29
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576604	0	45	-1.0	-50.68	390.24	2.60	-48.08
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576605	0	45	-1.0	-56.21	397.52	1.40	-54.81
CC(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007576606	0	36	-1.0	-49.70	332.41	-0.34	-50.04
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])S1	REAL300007576607	0	42	-1.0	-54.64	388.76	0.51	-54.13
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(OC)=C1	REAL300007576608	0	43	-1.0	-50.72	369.94	0.35	-50.37
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(F)=C1	REAL300007576609	0	42	-1.0	-58.75	369.38	1.03	-57.72
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576610	0	42	-1.0	-50.66	372.89	0.67	-49.99
CC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007576611	0	39	-1.0	-58.73	334.70	2.85	-55.88
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1F	REAL300007576612	0	42	-1.0	-48.74	375.37	1.33	-47.41
CC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007576613	0	43	-1.0	-59.99	360.14	3.98	-56.01
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1F	REAL300007576614	0	39	-1.0	-49.14	354.68	0.57	-48.57
CC(CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007576615	0	43	-1.0	-52.32	367.20	3.32	-49.00
CC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007576616	0	40	-1.0	-58.14	341.52	1.96	-56.18
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576617	0	37	-1.0	-53.80	335.61	1.30	-52.50
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576618	0	38	-1.0	-55.26	335.47	0.26	-55.00
CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300007576619	0	35	-1.0	-45.78	325.22	3.78	-42.00
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007576620	0	42	-1.0	-51.11	361.62	5.94	-45.17
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007576621	0	32	-1.0	-43.94	301.25	3.53	-40.41
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007576622	0	34	-1.0	-47.41	335.09	1.01	-46.40
COC1=CC=C(Br)C(CS(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576623	0	35	-1.0	-48.95	324.57	3.45	-45.50
CC(CNS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007576624	0	42	-1.0	-47.96	367.62	4.84	-43.12
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576625	0	35	-1.0	-46.82	314.23	3.92	-42.90
CC(C)N1N=CC2=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C21	REAL300007576626	0	40	-1.0	-48.46	345.35	4.42	-44.04
CCS(=O)(=O)NCCS(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576627	0	35	-1.0	-52.58	317.60	-2.40	-54.98
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007576628	0	34	-1.0	-50.11	308.02	4.17	-45.94
CC(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007576629	0	31	-1.0	-46.35	309.39	4.80	-41.55
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007576630	0	34	-1.0	-45.50	318.10	5.65	-39.85
CC(CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007576631	0	31	-1.0	-50.16	297.01	4.31	-45.85
CC(CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007576632	0	34	-1.0	-50.26	311.11	5.74	-44.52
CC(CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007576633	0	34	-1.0	-47.47	315.65	4.68	-42.79
CC(CNS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007576634	0	39	-1.0	-48.87	335.78	4.21	-44.66
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007576635	0	42	-1.0	-45.77	353.62	6.06	-39.71
CC(CNS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007576636	0	41	-1.0	-51.54	361.17	4.44	-47.10
CC(CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007576637	0	39	-1.0	-51.85	353.76	-0.07	-51.92
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007576638	0	37	-1.0	-49.83	324.52	5.87	-43.96
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1N(C)C	REAL300007576639	0	39	-1.0	-47.08	328.87	3.55	-43.53
CC(CNS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007576640	0	34	-1.0	-50.48	315.70	4.85	-45.63
COC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300007576641	0	35	-1.0	-49.56	313.70	3.65	-45.91
CC(CNS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007576642	0	37	-1.0	-58.09	339.08	1.10	-56.99
CSC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300007576643	0	32	-1.0	-46.14	309.47	4.37	-41.77
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576644	0	40	-1.0	-46.27	327.58	3.34	-42.93
CC(CNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007576645	0	36	-1.0	-50.30	324.91	1.43	-48.87
CCC1=NOC2=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C12	REAL300007576646	0	35	-1.0	-50.29	314.99	0.59	-49.70
CC(CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007576647	0	39	-1.0	-47.68	351.16	2.71	-44.97
CC(CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007576648	0	34	-1.0	-47.74	321.46	5.78	-41.96
CCC1=CC(CC)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(CC)=C1	REAL300007576649	0	46	-1.0	-46.43	353.17	7.61	-38.82
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576650	1	43	-1.0	-48.43	374.63	0.15	-48.28
CC(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007576651	0	34	-1.0	-45.77	322.35	0.95	-44.82
CC(CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007576652	0	37	-1.0	-54.16	321.37	6.65	-47.51
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1F	REAL300007576653	0	35	-1.0	-47.64	302.63	3.11	-44.53
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007576654	0	37	-1.0	-49.19	316.31	4.32	-44.87
CC(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007576656	0	36	-1.0	-48.89	322.89	4.14	-44.75
COCC1=CC(Cl)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576657	0	35	-1.0	-46.91	326.43	3.12	-43.79
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007576659	0	28	-1.0	-46.83	286.83	3.09	-43.74
CC(CNS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007576660	0	41	-1.0	-49.48	343.01	6.20	-43.28
CC(CNS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007576661	0	39	-1.0	-49.23	335.32	3.60	-45.63
CC(CNS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007576662	0	37	-1.0	-57.58	314.58	0.06	-57.52
CC(CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007576663	0	31	-1.0	-49.59	290.43	3.35	-46.24
COC1=CC=C2C=C(S(=O)(=O)NCC(C)C(=O)[O-])CCC2=C1	REAL300007576664	0	40	-1.0	-47.24	337.68	4.57	-42.67
CC(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007576665	0	39	-1.0	-56.35	326.64	0.02	-56.33
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C12	REAL300007576666	0	43	-1.0	-53.15	377.14	6.14	-47.01
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C12	REAL300007576667	0	47	-1.0	-48.09	395.26	3.64	-44.45
CCC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007576668	0	36	-1.0	-54.69	316.68	4.72	-49.97
CC(CNS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007576669	0	28	-1.0	-44.37	275.03	3.50	-40.87
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576670	0	33	-1.0	-52.65	297.17	4.48	-48.17
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576671	0	35	-1.0	-49.27	324.63	4.18	-45.09
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576672	0	43	-1.0	-49.08	345.15	6.12	-42.96
CC(CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007576673	0	31	-1.0	-45.28	292.52	3.89	-41.39
CC(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007576674	0	31	-1.0	-47.12	278.78	4.44	-42.68
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007576675	0	34	-1.0	-56.54	309.77	3.64	-52.90
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300007576676	0	44	-1.0	-51.32	382.99	0.46	-50.86
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576677	0	45	-1.0	-50.74	390.50	2.58	-48.16
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007576678	0	39	-1.0	-51.28	350.13	0.89	-50.39
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300007576679	0	32	-1.0	-46.09	303.36	2.85	-43.24
CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007576680	0	34	-1.0	-43.68	331.55	4.88	-38.80
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1Br	REAL300007576681	0	31	-1.0	-45.59	292.96	4.07	-41.52
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)=C1	REAL300007576682	0	42	-1.0	-47.48	364.75	6.40	-41.08
CC(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007576683	0	32	-1.0	-45.16	300.62	2.68	-42.48
CC1=C(C)C(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1C	REAL300007576684	0	43	-1.0	-47.61	327.31	5.89	-41.72
CC(CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007576685	0	37	-1.0	-47.93	317.09	2.84	-45.09
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576686	0	44	-1.0	-48.70	351.00	5.06	-43.64
CC(CNS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300007576687	0	35	-1.0	-50.32	330.06	5.26	-45.06
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007576688	0	33	-1.0	-46.41	297.67	4.07	-42.34
COC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576689	0	32	-1.0	-45.93	295.26	3.33	-42.60
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576690	0	46	-1.0	-45.24	353.56	6.56	-38.68
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007576691	0	31	-1.0	-44.49	292.50	3.86	-40.63
COC1=CC=C(OC)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576692	0	36	-1.0	-49.49	304.24	2.02	-47.47
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1OC	REAL300007576693	0	36	-1.0	-48.81	312.99	2.10	-46.71
CC(C)CCC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576694	0	43	-1.0	-46.00	357.20	6.37	-39.63
CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1OCC	REAL300007576695	0	42	-1.0	-49.77	355.89	3.93	-45.84
CC(CNS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007576696	0	33	-1.0	-52.05	307.93	-2.18	-54.23
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007576697	0	36	-1.0	-45.41	318.16	4.72	-40.69
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1C	REAL300007576698	0	36	-1.0	-50.20	313.73	4.97	-45.23
CC1=CC2=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C2N=C1	REAL300007576699	0	36	-1.0	-55.62	307.01	4.64	-50.98
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007576700	0	34	-1.0	-49.62	301.47	3.68	-45.94
COC1=CC(Cl)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576701	0	32	-1.0	-45.00	291.88	3.23	-41.77
CC(CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007576702	0	33	-1.0	-52.66	308.44	-2.14	-54.80
CC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007576703	0	40	-1.0	-51.31	362.47	0.72	-50.59
CC(CNS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007576704	0	36	-1.0	-47.59	322.42	4.47	-43.12
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CN=C12	REAL300007576705	0	36	-1.0	-50.31	309.67	4.16	-46.15
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300007576706	0	36	-1.0	-50.56	309.36	5.57	-44.99
CC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007576707	0	39	-1.0	-51.35	349.83	0.90	-50.45
CC(CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007576708	0	40	-1.0	-61.48	340.20	2.24	-59.24
CC(CNS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007576709	0	34	-1.0	-54.38	314.15	0.40	-53.98
CC(CNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007576710	0	38	-1.0	-50.86	322.52	6.48	-44.38
CC(CNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007576711	0	38	-1.0	-48.72	327.63	6.29	-42.43
CC(CNS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007576712	0	42	-1.0	-49.06	347.85	5.09	-43.97
CC(CNS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007576713	0	29	-1.0	-52.57	272.97	1.27	-51.30
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576714	0	32	-1.0	-46.72	291.51	3.26	-43.46
CCC(C)(C)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576715	0	43	-1.0	-46.45	345.06	5.68	-40.77
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576716	0	38	-1.0	-46.36	323.91	3.74	-42.62
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007576717	0	33	-1.0	-46.56	310.90	5.37	-41.19
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007576718	0	39	-1.0	-49.92	358.95	6.27	-43.65
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576719	0	34	-1.0	-44.92	302.49	3.37	-41.55
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007576720	0	39	-1.0	-47.37	359.67	6.26	-41.11
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)C=C1	REAL300007576721	0	43	-1.0	-48.14	371.65	5.02	-43.12
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C(C)C)=C1	REAL300007576722	0	55	-1.0	-46.58	412.53	8.76	-37.82
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007576723	0	44	-1.0	-49.90	362.54	6.13	-43.77
CC(CNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007576724	0	31	-1.0	-47.26	310.31	4.56	-42.70
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007576725	0	38	-1.0	-50.45	322.83	4.59	-45.86
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300007576726	0	46	-1.0	-51.64	391.37	2.89	-48.75
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007576727	0	44	-1.0	-51.36	373.13	0.55	-50.81
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576728	0	33	-1.0	-45.55	297.61	4.45	-41.10
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576729	0	33	-1.0	-47.78	292.25	4.23	-43.55
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576730	0	36	-1.0	-52.03	312.76	5.32	-46.71
COCCC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576731	0	38	-1.0	-46.95	331.19	3.40	-43.55
COC1=C(C)C=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300007576732	0	38	-1.0	-46.89	327.33	3.75	-43.14
CC(C)CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576733	0	44	-1.0	-46.71	366.56	5.21	-41.50
CC(CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007576734	0	42	-1.0	-46.99	348.90	5.12	-41.87
CC(C)COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576735	0	41	-1.0	-46.59	346.72	4.59	-42.00
CCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576736	0	38	-1.0	-46.63	326.61	3.90	-42.73
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300007576737	0	32	-1.0	-46.57	299.78	2.76	-43.81
CC(CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007576738	0	32	-1.0	-47.82	308.73	3.01	-44.81
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1OC(C)C	REAL300007576739	0	41	-1.0	-48.51	343.60	4.49	-44.02
COCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576740	0	39	-1.0	-49.67	338.74	2.37	-47.30
CC1=CC(Br)=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576741	0	31	-1.0	-44.80	289.80	4.39	-40.41
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC(C)C(=O)[O-])=C1C	REAL300007576742	0	36	-1.0	-49.65	304.63	5.63	-44.02
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576743	0	37	-1.0	-59.38	328.85	1.31	-58.07
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007576744	0	40	-1.0	-51.93	363.26	0.75	-51.18
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576745	0	36	-1.0	-51.42	331.23	-0.94	-52.36
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576746	0	36	-1.0	-50.63	291.74	0.59	-50.04
CC(CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007576747	0	38	-1.0	-51.26	327.65	6.29	-44.97
CC(CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007576748	0	31	-1.0	-47.63	311.49	4.63	-43.00
CC1=NC(C2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])S2)=CS1	REAL300007576749	0	34	-1.0	-49.48	333.71	3.46	-46.02
CC(CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007576750	0	48	-1.0	-45.96	389.20	6.51	-39.45
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576751	0	36	-1.0	-53.55	307.32	4.64	-48.91
CNC(=O)C1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CN1C	REAL300007576752	0	36	-1.0	-50.56	317.34	0.53	-50.03
COC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1	REAL300007576753	0	38	-1.0	-46.53	309.31	3.65	-42.88
CC(CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007576754	0	39	-1.0	-48.44	337.96	6.99	-41.45
COC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300007576755	0	38	-1.0	-49.32	319.42	3.72	-45.60
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007576756	0	36	-1.0	-50.07	300.20	4.09	-45.98
CC(CNS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007576757	0	41	-1.0	-52.73	353.57	6.71	-46.02
CCN1C=C(S(=O)(=O)NCC(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007576758	0	33	-1.0	-51.48	304.66	3.77	-47.71
CC(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007576759	0	35	-1.0	-46.55	324.67	3.56	-42.99
CC(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007576760	0	42	-1.0	-47.21	365.01	6.15	-41.06
CC(CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007576761	0	38	-1.0	-47.64	339.73	4.43	-43.21
CC(C)CCN(CCC(C)C)S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576762	0	50	-1.0	-46.89	387.97	5.74	-41.15
CC(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007576763	0	36	-1.0	-51.34	330.83	-0.51	-51.85
CC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007576764	0	43	-1.0	-57.69	376.19	2.03	-55.66
CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007576765	0	41	-1.0	-50.04	344.60	5.51	-44.53
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576766	0	38	-1.0	-48.97	314.25	4.22	-44.75
CC(CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007576767	0	33	-1.0	-54.24	301.73	3.06	-51.18
CC(CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007576768	0	35	-1.0	-50.96	314.32	3.99	-46.97
CCOCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576769	0	42	-1.0	-49.98	361.47	3.35	-46.63
CCCCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576770	0	44	-1.0	-46.55	369.61	5.46	-41.09
CC(CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007576771	0	34	-1.0	-47.41	302.13	4.68	-42.73
CC(CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007576772	0	32	-1.0	-45.65	310.14	4.34	-41.31
CC(CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007576773	0	36	-1.0	-52.75	317.40	4.12	-48.63
CC(CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007576774	0	33	-1.0	-53.11	302.02	3.05	-50.06
CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1	REAL300007576775	0	38	-1.0	-46.80	319.87	4.01	-42.79
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576776	0	36	-1.0	-56.89	330.88	-0.94	-57.83
CC(CNS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007576777	0	32	-1.0	-46.18	284.04	2.98	-43.20
CC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300007576778	0	46	-1.0	-56.57	390.57	2.86	-53.71
CC(CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007576779	0	34	-1.0	-48.62	316.57	4.60	-44.02
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576780	0	39	-1.0	-46.38	324.54	4.66	-41.72
CC(CNS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007576781	0	34	-1.0	-49.10	288.70	2.45	-46.65
CC(CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007576782	0	40	-1.0	-49.59	348.35	4.87	-44.72
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(F)(F)F	REAL300007576783	0	34	-1.0	-49.57	308.69	4.42	-45.15
CC(CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007576784	0	34	-1.0	-51.17	327.46	3.62	-47.55
CC(CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007576785	0	37	-1.0	-51.52	318.26	4.48	-47.04
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C12	REAL300007576786	0	36	-1.0	-47.71	320.07	2.60	-45.11
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576787	0	35	-1.0	-48.44	322.41	3.47	-44.97
CC(CNS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007576788	0	39	-1.0	-51.88	325.87	4.15	-47.73
CC(CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007576789	0	40	-1.0	-64.14	350.85	1.40	-62.74
CC(CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007576790	0	35	-1.0	-46.29	324.38	3.39	-42.90
COC1=CC(OC)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300007576791	0	36	-1.0	-46.39	323.91	2.70	-43.69
CC(CNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300007576792	0	41	-1.0	-54.71	375.34	5.08	-49.63
CC(CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007576793	0	36	-1.0	-50.38	316.11	3.54	-46.84
CC(CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007576794	0	31	-1.0	-49.36	304.11	4.49	-44.87
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576795	0	40	-1.0	-50.85	342.59	1.90	-48.95
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007576796	0	39	-1.0	-48.79	360.05	6.24	-42.55
CC(CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007576797	0	34	-1.0	-47.98	320.17	3.53	-44.45
CC(CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007576798	0	34	-1.0	-50.97	337.78	4.07	-46.90
CC1=NC(C2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)=CO1	REAL300007576799	0	37	-1.0	-49.70	330.15	1.94	-47.76
CC(CNS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007576800	0	31	-1.0	-48.62	294.16	1.84	-46.78
CC1=CC=C(N2C=C(S(=O)(=O)NCC(C)C(=O)[O-])C=N2)C=C1	REAL300007576801	0	38	-1.0	-48.40	336.60	4.67	-43.73
CC(CNS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007576802	0	36	-1.0	-46.67	328.04	4.01	-42.66
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007576803	0	33	-1.0	-46.30	297.67	4.05	-42.25
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC(C)C(=O)[O-])C=N1	REAL300007576804	0	39	-1.0	-54.62	342.37	3.64	-50.98
CC(CNS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007576805	0	30	-1.0	-49.04	286.63	2.37	-46.67
CC1=CC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2C=C1	REAL300007576806	0	37	-1.0	-49.55	321.55	5.83	-43.72
CC(CNS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007576807	0	34	-1.0	-46.78	316.62	4.90	-41.88
CC(CNS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007576808	0	40	-1.0	-49.01	328.47	3.45	-45.56
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007576809	0	30	-1.0	-46.95	288.46	2.11	-44.84
COC1=CC=CC(OC)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576810	0	36	-1.0	-53.82	308.25	3.41	-50.41
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576811	0	36	-1.0	-45.93	313.46	4.97	-40.96
CC1=CC=C(C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007576812	0	36	-1.0	-50.22	309.62	5.85	-44.37
CC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007576813	0	36	-1.0	-52.90	312.89	5.00	-47.90
COC1=CC=C(CCS(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576814	0	38	-1.0	-47.94	328.51	3.67	-44.27
CC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007576815	0	37	-1.0	-48.24	326.44	4.53	-43.71
COC1=CC(OC)=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576816	0	36	-1.0	-49.38	312.73	1.48	-47.90
CC1=CC2=C(C=C1S(=O)(=O)NCC(C)C(=O)[O-])OCO2	REAL300007576817	0	34	-1.0	-48.45	295.33	2.46	-45.99
COC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1Cl	REAL300007576818	0	32	-1.0	-46.34	298.99	2.74	-43.60
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007576819	0	36	-1.0	-53.74	302.66	4.43	-49.31
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576820	0	36	-1.0	-43.47	304.67	4.89	-38.58
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576821	0	38	-1.0	-48.59	313.60	4.45	-44.14
CC(CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007576822	0	34	-1.0	-46.83	278.69	3.84	-42.99
CC(CNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007576823	0	35	-1.0	-55.66	310.26	2.65	-53.01
CC(CNS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007576824	0	41	-1.0	-48.61	354.53	4.43	-44.18
CC(CNS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007576825	0	32	-1.0	-53.12	292.67	2.96	-50.16
CC(CNS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007576826	0	30	-1.0	-51.97	278.09	2.64	-49.33
CC1=CSC(C2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)=N1	REAL300007576827	0	37	-1.0	-49.80	339.69	4.35	-45.45
CC(CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007576828	0	35	-1.0	-53.64	319.74	0.75	-52.89
CC(CNS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007576829	0	37	-1.0	-50.50	316.03	3.25	-47.25
CC(CNS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007576830	0	31	-1.0	-46.29	297.37	4.08	-42.21
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576831	0	53	-1.0	-46.63	434.98	7.82	-38.81
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576832	0	38	-1.0	-48.85	346.13	4.98	-43.87
CCC(C)OC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576833	0	41	-1.0	-47.99	344.29	4.56	-43.43
COC(CS(=O)(=O)NCC(C)C(=O)[O-])C1CCCCC1	REAL300007576834	0	44	-1.0	-45.97	345.44	3.88	-42.09
CC(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007576835	0	42	-1.0	-48.02	371.74	6.25	-41.77
CCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300007576836	0	47	-1.0	-47.82	384.91	5.93	-41.89
CCC1=NC(S(=O)(=O)NCC(C)C(=O)[O-])=CN1CC1CC1	REAL300007576837	0	41	-1.0	-50.33	348.74	4.65	-45.68
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007576838	0	36	-1.0	-47.86	317.35	5.36	-42.50
CC(CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007576839	0	41	-1.0	-46.32	355.60	5.21	-41.11
CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007576840	0	31	-1.0	-46.14	295.06	1.50	-44.64
CC(CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007576841	0	39	-1.0	-51.38	354.89	7.00	-44.38
CC(CNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007576842	0	38	-1.0	-51.28	320.80	6.29	-44.99
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007576843	0	48	-1.0	-48.15	409.97	7.79	-40.36
CCC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C(C)C=C1OC	REAL300007576844	0	41	-1.0	-49.01	339.27	4.56	-44.45
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007576845	0	34	-1.0	-44.17	324.97	4.75	-39.42
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007576846	0	37	-1.0	-51.38	304.18	5.95	-45.43
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=N1	REAL300007576847	0	37	-1.0	-45.55	322.92	1.43	-44.12
CCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300007576848	0	44	-1.0	-48.54	364.22	5.15	-43.39
CC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007576849	0	40	-1.0	-49.10	332.49	5.15	-43.95
CC(CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007576850	0	47	-1.0	-48.93	379.87	7.43	-41.50
CC(CNS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007576851	0	38	-1.0	-46.32	312.72	2.90	-43.42
CC(CNS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007576852	0	40	-1.0	-47.82	324.44	3.15	-44.67
CC(CNS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007576853	0	38	-1.0	-49.31	322.03	3.24	-46.07
CC(CNS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007576854	0	31	-1.0	-47.08	279.99	1.45	-45.63
COC1=CC=C(F)C=C1CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576855	0	35	-1.0	-48.83	312.09	3.01	-45.82
CCCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300007576856	0	50	-1.0	-46.57	406.41	6.71	-39.86
CC(CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007576857	0	32	-1.0	-45.97	303.26	4.59	-41.38
CCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)(C)C	REAL300007576858	0	50	-1.0	-48.06	397.47	6.60	-41.46
CCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1CC	REAL300007576859	0	44	-1.0	-47.22	368.80	5.41	-41.81
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576860	0	34	-1.0	-43.58	296.59	4.87	-38.71
COCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300007576861	0	39	-1.0	-48.01	359.65	3.07	-44.94
CC1=CC(Br)=CC=C1CS(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576862	0	34	-1.0	-45.71	314.60	4.78	-40.93
CC(CNS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007576863	0	32	-1.0	-46.61	299.90	4.48	-42.13
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576864	0	44	-1.0	-46.61	368.29	5.63	-40.98
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)C=C1	REAL300007576865	0	43	-1.0	-47.97	383.15	6.76	-41.21
CC(CNS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007576866	0	38	-1.0	-45.31	314.30	3.23	-42.08
CC(CNS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007576867	0	39	-1.0	-48.08	324.67	0.91	-47.17
CC(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007576868	0	34	-1.0	-48.96	321.10	3.81	-45.15
CCCCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300007576869	0	53	-1.0	-47.75	427.91	7.49	-40.26
COC1=CC(C(C)C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300007576870	0	44	-1.0	-49.30	357.68	5.02	-44.28
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576871	0	38	-1.0	-50.09	328.73	4.29	-45.80
CCOCCOC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C(C)C	REAL300007576872	0	51	-1.0	-50.79	418.89	5.35	-45.44
CC(CNS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007576873	0	36	-1.0	-46.58	322.11	2.55	-44.03
CC(CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007576874	0	34	-1.0	-49.60	307.12	3.51	-46.09
CC(CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007576875	0	32	-1.0	-52.31	301.43	3.13	-49.18
CC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1F	REAL300007576876	0	37	-1.0	-47.67	301.58	4.90	-42.77
COC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1OC	REAL300007576877	0	36	-1.0	-52.96	301.92	2.70	-50.26
CC(CNS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007576878	0	41	-1.0	-47.65	322.49	2.98	-44.67
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576879	0	40	-1.0	-46.39	332.92	3.47	-42.92
CCCCN1C=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=N1	REAL300007576880	0	40	-1.0	-48.66	343.28	3.57	-45.09
CC(CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007576881	0	32	-1.0	-49.21	293.00	2.45	-46.76
CC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300007576882	0	34	-1.0	-48.49	307.63	4.97	-43.52
CC(CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007576883	0	34	-1.0	-44.61	322.84	4.02	-40.59
CC(CNS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007576884	0	38	-1.0	-47.35	305.70	2.50	-44.85
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576885	0	46	-1.0	-48.95	368.40	6.91	-42.04
CC(CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007576886	0	34	-1.0	-45.09	324.66	4.76	-40.33
CC(CNS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007576887	0	38	-1.0	-47.26	328.60	3.52	-43.74
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007576888	0	39	-1.0	-48.36	342.81	5.69	-42.67
COC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007576889	0	37	-1.0	-61.42	319.69	4.11	-57.31
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007576890	0	33	-1.0	-44.62	304.36	2.70	-41.92
CC(CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007576891	0	31	-1.0	-43.72	299.77	3.96	-39.76
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576892	0	39	-1.0	-51.78	338.84	4.93	-46.85
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007576893	0	39	-1.0	-47.83	323.30	5.96	-41.87
CC(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007576894	0	34	-1.0	-45.75	316.17	3.91	-41.84
CC(CNS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007576895	0	35	-1.0	-49.15	306.80	1.21	-47.94
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576896	0	38	-1.0	-46.01	350.82	3.66	-42.35
CC(CNS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007576897	0	28	-1.0	-45.65	273.94	3.29	-42.36
CC(CNS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007576898	0	38	-1.0	-47.15	318.79	3.28	-43.87
CC(CNS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007576899	0	42	-1.0	-48.82	352.22	2.00	-46.82
CC(CNS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007576900	0	34	-1.0	-47.40	307.47	4.43	-42.97
CC(CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007576901	0	32	-1.0	-48.85	293.51	2.48	-46.37
CC(CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007576902	0	43	-1.0	-47.01	349.77	5.58	-41.43
CC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NC=CC=C12	REAL300007576903	0	39	-1.0	-57.99	325.71	5.25	-52.74
CC(CNS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007576904	0	36	-1.0	-48.47	307.88	2.90	-45.57
CCOCC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576905	0	38	-1.0	-48.30	330.37	3.57	-44.73
CC(CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007576906	0	31	-1.0	-47.44	313.03	4.88	-42.56
CC(CNS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007576907	0	38	-1.0	-48.84	333.13	4.06	-44.78
CC(CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007576908	0	41	-1.0	-48.83	340.14	3.82	-45.01
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007576909	0	39	-1.0	-46.79	343.32	5.73	-41.06
CC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC(C)=C1Br	REAL300007576910	0	34	-1.0	-45.10	312.32	4.63	-40.47
CC(CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007576911	0	31	-1.0	-47.44	313.03	4.88	-42.56
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007576912	0	37	-1.0	-51.21	313.00	5.79	-45.42
CC(CNS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007576913	0	38	-1.0	-47.83	319.10	3.72	-44.11
CC(CNS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007576914	0	32	-1.0	-45.92	307.83	4.68	-41.24
CC(CNS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007576915	0	32	-1.0	-46.62	307.82	4.69	-41.93
CC(CNS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007576916	0	30	-1.0	-47.76	285.58	2.28	-45.48
CC1=NC(S(=O)(=O)NCC(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007576917	0	37	-1.0	-53.71	327.61	2.05	-51.66
CC(CNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007576918	0	45	-1.0	-47.95	331.26	5.80	-42.15
CC(CNS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007576919	0	36	-1.0	-58.93	323.93	-0.30	-59.23
CC(CNS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007576920	0	32	-1.0	-55.80	301.42	1.92	-53.88
CC(CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007576921	0	38	-1.0	-47.36	335.70	5.71	-41.65
CC(CNS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007576922	0	50	-1.0	-48.78	383.84	7.07	-41.71
COC1=CC=C(C=C(C)S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576923	0	39	-1.0	-47.30	327.96	3.75	-43.55
COC1=CSC(S(=O)(=O)NCC(C)C(=O)[O-])=C1OC	REAL300007576924	0	33	-1.0	-48.48	303.03	0.76	-47.72
CC(CNS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007576925	0	39	-1.0	-45.87	334.90	4.79	-41.08
CC(CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007576926	0	32	-1.0	-48.76	302.41	3.65	-45.11
COC1=CC(F)=C(S(=O)(=O)NCC(C)C(=O)[O-])C(F)=C1	REAL300007576927	0	32	-1.0	-48.86	292.25	2.47	-46.39
CC(CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007576928	0	32	-1.0	-51.46	298.94	2.53	-48.93
CC(CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007576929	0	37	-1.0	-46.62	333.50	3.37	-43.25
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576930	0	41	-1.0	-51.07	348.40	5.30	-45.77
CC(CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007576931	0	39	-1.0	-52.44	344.68	5.81	-46.63
CC(CNS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007576932	0	34	-1.0	-50.94	290.75	4.90	-46.04
CC(CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007576933	0	29	-1.0	-49.54	289.79	1.74	-47.80
C=C(C)COC1=CC=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576934	0	39	-1.0	-48.02	337.12	4.51	-43.51
CCN1C=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C2CC2)=N1	REAL300007576935	0	38	-1.0	-49.12	314.87	3.01	-46.11
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300007576936	0	32	-1.0	-54.63	292.64	2.27	-52.36
CC(CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007576937	0	34	-1.0	-47.98	316.90	5.68	-42.30
CC(CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007576938	0	38	-1.0	-46.84	345.55	6.82	-40.02
CC(CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007576939	0	27	-1.0	-44.63	281.96	0.86	-43.77
CCC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=CC=C1Br	REAL300007576940	0	34	-1.0	-45.99	313.30	4.77	-41.22
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576941	0	41	-1.0	-47.16	341.02	4.09	-43.07
COCCC1=CC=C(OC)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576942	0	42	-1.0	-49.27	351.35	3.24	-46.03
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007576943	0	34	-1.0	-50.45	300.79	5.18	-45.27
CC(CNS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007576944	0	36	-1.0	-48.22	303.38	0.59	-47.63
CC(CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300007576945	0	34	-1.0	-47.62	318.59	2.70	-44.92
CC(CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007576946	0	43	-1.0	-46.44	356.51	3.27	-43.17
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576947	0	31	-1.0	-46.28	289.35	0.59	-45.69
CC(CNS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007576948	0	38	-1.0	-45.88	316.89	0.67	-45.21
CC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007576949	0	33	-1.0	-48.53	307.40	5.14	-43.39
CC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007576950	0	39	-1.0	-51.00	323.10	3.47	-47.53
CC(CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007576951	0	35	-1.0	-48.66	309.86	4.15	-44.51
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576952	0	42	-1.0	-48.40	363.06	6.46	-41.94
CC(CNS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007576953	0	31	-1.0	-45.46	285.71	2.63	-42.83
CC(CNS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007576954	0	36	-1.0	-53.13	312.89	-1.31	-54.44
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C2)C=C1	REAL300007576955	0	51	-1.0	-46.95	425.24	8.07	-38.88
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C(F)F)=C1	REAL300007576956	0	35	-1.0	-46.62	305.38	3.52	-43.10
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576957	0	34	-1.0	-44.95	310.67	1.03	-43.92
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C2=NC=CC=C12	REAL300007576958	0	36	-1.0	-55.65	304.21	4.56	-51.09
CC(CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007576959	0	35	-1.0	-52.60	319.08	3.51	-49.09
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576960	0	41	-1.0	-50.74	343.74	4.89	-45.85
CC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576961	0	31	-1.0	-48.16	289.44	4.41	-43.75
CC(CNS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007576962	0	32	-1.0	-48.81	291.71	3.21	-45.60
CC(CNS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007576963	0	34	-1.0	-54.70	314.44	0.39	-54.31
CC(CNS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007576964	0	32	-1.0	-45.12	300.26	2.69	-42.43
COC1=CC(C)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1OC	REAL300007576965	0	39	-1.0	-50.93	327.70	3.02	-47.91
CC(CNS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007576966	0	44	-1.0	-45.93	355.62	6.68	-39.25
CC(CNS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007576967	0	34	-1.0	-50.87	297.94	2.04	-48.83
CC(CNS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007576968	0	28	-1.0	-46.72	271.14	3.64	-43.08
CC(CNS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007576969	0	28	-1.0	-45.69	275.57	3.51	-42.18
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576970	0	33	-1.0	-50.04	287.42	5.20	-44.84
CC(CNS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007576971	0	34	-1.0	-46.44	316.62	4.89	-41.55
CC(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007576972	0	38	-1.0	-56.03	336.76	-0.55	-56.58
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576973	0	39	-1.0	-46.25	336.21	4.69	-41.56
CC(CNS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007576974	0	37	-1.0	-58.30	339.65	1.10	-57.20
COC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C(C)=C1C	REAL300007576975	0	38	-1.0	-48.64	314.06	3.71	-44.93
CC(CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007576976	0	33	-1.0	-47.97	305.38	3.41	-44.56
CC(CNS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007576977	0	31	-1.0	-46.07	298.81	4.20	-41.87
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1	REAL300007576978	0	45	-1.0	-50.38	395.47	1.96	-48.42
CC(CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007576979	0	38	-1.0	-54.95	325.32	-1.54	-56.49
CC1=C(S(=O)(=O)NCC(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007576980	0	37	-1.0	-52.75	327.18	4.21	-48.54
CC(CNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007576981	0	41	-1.0	-53.28	357.69	5.84	-47.44
CC(CNS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007576982	0	36	-1.0	-62.34	319.91	2.29	-60.05
CC(CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007576983	0	34	-1.0	-45.64	320.73	4.02	-41.62
COC1=CC(Cl)=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1OC	REAL300007576984	0	36	-1.0	-47.85	313.78	2.14	-45.71
COC1=CC(S(=O)(=O)NCC(C)C(=O)[O-])=C(OC)C=C1Br	REAL300007576985	0	36	-1.0	-45.97	323.83	2.67	-43.30
CC1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Br	REAL300007576986	0	31	-1.0	-48.61	293.76	4.09	-44.52
CC(CNS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007576987	0	34	-1.0	-47.73	308.87	5.66	-42.07
CC(CNS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300007576988	0	38	-1.0	-48.22	349.73	6.94	-41.28
CC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007576989	0	33	-1.0	-43.79	307.88	5.13	-38.66
COCCOC1=C(Cl)C=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1Cl	REAL300007576990	0	39	-1.0	-46.24	375.59	3.62	-42.62
CC(CNS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007576991	0	32	-1.0	-48.34	299.74	2.55	-45.79
CC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007576992	0	35	-1.0	-48.34	310.71	4.57	-43.77
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576993	0	43	-1.0	-49.19	352.10	4.31	-44.88
COCC1=CC=C(OC)C(S(=O)(=O)NCC(C)C(=O)[O-])=C1	REAL300007576994	0	39	-1.0	-49.35	329.04	2.43	-46.92
CC1=C(Br)C=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007576997	0	33	-1.0	-47.34	318.50	4.68	-42.66
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC(C)C(=O)[O-]	REAL300007576998	0	39	-1.0	-52.79	343.30	2.96	-49.83
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)C(=O)[O-])C=C1C	REAL300007576999	0	39	-1.0	-52.92	345.31	-0.16	-53.08
CC(CNS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007577000	0	46	-1.0	-44.40	341.77	4.57	-39.83
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577563	0	36	-1.0	-60.39	297.68	5.55	-54.84
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577564	0	43	-1.0	-61.77	351.97	5.86	-55.91
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007577565	0	43	-1.0	-58.79	351.54	2.76	-56.03
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007577566	0	50	-1.0	-51.62	345.80	7.09	-44.53
CC1=NC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C2C=C1	REAL300007577567	0	40	-1.0	-59.25	322.68	6.55	-52.70
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007577568	0	40	-1.0	-66.11	324.42	7.66	-58.45
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007577569	0	43	-1.0	-56.59	338.09	4.18	-52.41
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577570	0	46	-1.0	-57.90	377.28	6.64	-51.26
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577571	0	46	-1.0	-55.61	379.14	6.62	-48.99
CCCN1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577572	0	38	-1.0	-64.93	309.00	7.10	-57.83
COCCOCCOCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577573	0	46	-1.0	-54.07	371.35	3.02	-51.05
CC(COC1CCCC1)CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577574	0	48	-1.0	-53.15	363.68	7.04	-46.11
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577575	0	39	-1.0	-52.71	329.23	6.00	-46.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007577576	0	40	-1.0	-55.17	318.20	3.33	-51.84
COC1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577577	0	36	-1.0	-54.30	311.46	5.61	-48.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007577578	0	36	-1.0	-56.12	300.19	5.73	-50.39
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007577579	0	38	-1.0	-49.29	316.18	6.43	-42.86
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577580	0	38	-1.0	-50.59	302.54	6.83	-43.76
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577581	0	38	-1.0	-52.86	315.51	7.21	-45.65
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300007577582	0	38	-1.0	-50.24	315.37	7.20	-43.04
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577583	0	41	-1.0	-53.45	313.23	7.32	-46.13
O=C([O-])C1CCCCN1S(=O)(=O)CCCN1CCOCC1	REAL300007577584	0	44	-1.0	-52.26	336.62	2.69	-49.57
CCOC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577585	0	39	-1.0	-61.40	312.28	5.91	-55.49
COCCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007577586	0	39	-1.0	-49.80	320.74	3.26	-46.54
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007577587	0	39	-1.0	-54.87	324.00	6.25	-48.62
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007577588	0	59	-1.0	-53.07	447.65	10.39	-42.68
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007577589	0	40	-1.0	-51.01	336.40	7.88	-43.13
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007577590	0	37	-1.0	-54.75	303.52	6.14	-48.61
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007577591	0	35	-1.0	-54.90	307.92	7.02	-47.88
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300007577592	0	35	-1.0	-52.75	303.35	6.95	-45.80
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007577593	0	39	-1.0	-64.00	325.34	3.56	-60.44
CC1=CC(Br)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577594	0	35	-1.0	-54.56	303.38	6.95	-47.61
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577595	0	35	-1.0	-50.83	281.29	6.31	-44.52
COCC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577596	0	39	-1.0	-54.31	305.13	5.52	-48.79
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300007577597	0	36	-1.0	-50.27	309.81	5.64	-44.63
COC1=CC(OC)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007577598	0	40	-1.0	-58.57	329.48	5.27	-53.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007577599	0	35	-1.0	-60.07	304.89	4.70	-55.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007577600	0	35	-1.0	-50.58	300.07	4.50	-46.08
CC1(C)CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300007577601	0	43	-1.0	-54.96	338.12	6.94	-48.02
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007577602	0	35	-1.0	-47.85	299.21	4.64	-43.21
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577603	0	43	-1.0	-53.51	332.99	3.99	-49.52
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577604	0	44	-1.0	-58.73	363.31	4.93	-53.80
CSC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577605	0	36	-1.0	-58.26	294.27	6.39	-51.87
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007577606	0	40	-1.0	-56.89	339.23	2.49	-54.40
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577607	0	46	-1.0	-56.23	378.80	3.49	-52.74
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577608	0	43	-1.0	-74.50	342.87	5.11	-69.39
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007577609	0	43	-1.0	-55.85	360.70	3.38	-52.47
CCC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577610	0	41	-1.0	-54.70	329.51	7.85	-46.85
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CS1	REAL300007577611	0	35	-1.0	-52.77	298.35	6.29	-46.48
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007577612	0	47	-1.0	-60.17	374.40	6.12	-54.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007577613	0	44	-1.0	-64.02	351.00	5.00	-59.02
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577614	0	41	-1.0	-66.57	343.11	4.13	-62.44
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577615	0	42	-1.0	-71.71	351.97	3.00	-68.71
CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007577616	0	41	-1.0	-56.03	325.09	7.64	-48.39
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300007577617	0	39	-1.0	-49.77	332.70	6.58	-43.19
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007577618	0	46	-1.0	-60.11	368.83	8.75	-51.36
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007577619	0	36	-1.0	-54.78	310.55	6.18	-48.60
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577620	0	39	-1.0	-51.49	326.02	6.07	-45.42
CC1(C)CN(S(=O)(=O)N2CCCCC2C(=O)[O-])CCO1	REAL300007577621	0	41	-1.0	-50.87	306.02	3.77	-47.10
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2S1	REAL300007577622	0	46	-1.0	-54.81	373.92	7.63	-47.18
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577623	0	39	-1.0	-59.29	330.73	6.65	-52.64
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300007577624	0	44	-1.0	-55.11	351.30	7.20	-47.91
CCS(=O)(=O)NCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577625	0	39	-1.0	-52.13	326.78	0.45	-51.68
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007577626	0	38	-1.0	-59.55	317.20	7.62	-51.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007577627	0	35	-1.0	-52.27	315.97	7.62	-44.65
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007577628	0	38	-1.0	-56.81	331.99	8.71	-48.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007577629	0	35	-1.0	-50.16	305.76	7.10	-43.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007577630	0	38	-1.0	-54.70	309.49	7.86	-46.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007577631	0	38	-1.0	-55.38	320.64	7.50	-47.88
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007577632	0	43	-1.0	-53.91	344.01	7.03	-46.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007577633	0	46	-1.0	-56.65	367.27	8.85	-47.80
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577634	0	45	-1.0	-60.27	366.17	7.24	-53.03
O=C([O-])C1CCCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007577635	0	43	-1.0	-53.34	362.86	2.76	-50.58
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007577636	0	41	-1.0	-58.36	335.47	8.83	-49.53
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1N(C)C	REAL300007577637	0	43	-1.0	-56.12	333.49	6.30	-49.82
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007577638	0	38	-1.0	-53.16	322.80	7.59	-45.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007577639	0	37	-1.0	-60.61	302.17	2.67	-57.94
O=C([O-])C1CCCCN1S(=O)(=O)CCOCC1CCCC1	REAL300007577640	0	45	-1.0	-51.44	347.60	6.15	-45.29
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007577641	0	39	-1.0	-55.95	311.12	5.42	-50.53
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577642	0	41	-1.0	-67.87	347.32	3.92	-63.95
CSC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007577643	0	36	-1.0	-49.61	316.15	7.16	-42.45
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577644	0	44	-1.0	-48.56	329.31	5.34	-43.22
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007577645	0	40	-1.0	-54.83	332.11	4.23	-50.60
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C12	REAL300007577646	0	39	-1.0	-54.83	321.94	3.37	-51.46
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007577647	0	43	-1.0	-48.12	354.30	5.42	-42.70
CN1N=CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CN=C21	REAL300007577648	0	37	-1.0	-49.93	304.05	4.82	-45.11
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007577649	0	38	-1.0	-53.92	326.87	8.59	-45.33
CCC1=CC(CC)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(CC)=C1	REAL300007577650	0	50	-1.0	-61.22	366.82	10.53	-50.69
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007577651	0	39	-1.0	-67.91	307.45	6.35	-61.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007577652	0	38	-1.0	-50.59	329.33	3.74	-46.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007577653	0	41	-1.0	-59.28	323.65	9.19	-50.09
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1F	REAL300007577654	0	39	-1.0	-50.18	297.99	5.16	-45.02
CC1(CS(=O)(=O)N2CCCCC2C(=O)[O-])CCCCC1	REAL300007577655	0	44	-1.0	-51.94	312.72	7.15	-44.79
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007577656	0	41	-1.0	-56.83	320.26	6.83	-50.00
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007577658	0	40	-1.0	-53.50	329.23	6.96	-46.54
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577659	0	39	-1.0	-55.09	332.75	5.92	-49.17
CC1=CC=C(CS(=O)(=O)N2CCCCC2C(=O)[O-])C(F)=C1	REAL300007577660	0	38	-1.0	-53.20	313.35	7.11	-46.09
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007577662	0	32	-1.0	-46.30	292.83	5.86	-40.44
O=C([O-])C1CCCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007577663	0	45	-1.0	-53.57	351.68	9.00	-44.57
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=NO1	REAL300007577664	0	43	-1.0	-60.72	344.74	6.42	-54.30
O=C([O-])C1CCCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007577665	0	41	-1.0	-64.29	324.27	2.88	-61.41
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007577666	0	35	-1.0	-51.14	296.43	6.14	-45.00
CC1=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])SC=N1	REAL300007577667	0	37	-1.0	-51.55	312.10	4.94	-46.61
O=C([O-])C1CCCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300007577668	0	42	-1.0	-54.27	311.66	7.08	-47.19
COC1=CC=C2C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])CCC2=C1	REAL300007577669	0	44	-1.0	-55.26	346.80	7.29	-47.97
O=C([O-])C1CCCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300007577670	0	45	-1.0	-53.78	320.35	7.68	-46.10
CC(C)(CCS(=O)(=O)N1CCCCC1C(=O)[O-])S(C)(=O)=O	REAL300007577671	0	43	-1.0	-71.15	336.18	2.81	-68.34
O=C([O-])C1CCCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007577672	0	41	-1.0	-51.63	315.17	6.85	-44.78
O=C([O-])C1CCCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007577673	0	39	-1.0	-55.16	313.77	7.73	-47.43
CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007577674	0	40	-1.0	-63.30	321.89	7.35	-55.95
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007577675	0	32	-1.0	-50.53	276.37	6.23	-44.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007577676	0	32	-1.0	-50.38	280.94	6.34	-44.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007577677	0	34	-1.0	-48.15	287.87	6.38	-41.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007577678	0	38	-1.0	-57.40	305.61	7.98	-49.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007577679	0	34	-1.0	-63.24	289.16	6.37	-56.87
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577680	0	37	-1.0	-58.38	304.96	6.88	-51.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007577681	0	34	-1.0	-65.40	276.30	6.78	-58.62
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577682	0	39	-1.0	-58.12	334.44	7.03	-51.09
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577683	0	39	-1.0	-53.12	310.98	5.93	-47.19
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007577684	0	44	-1.0	-57.89	318.88	8.19	-49.70
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300007577685	0	41	-1.0	-60.54	312.06	7.97	-52.57
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577686	0	47	-1.0	-54.46	352.86	8.55	-45.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007577687	0	35	-1.0	-48.63	299.56	6.72	-41.91
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007577688	0	35	-1.0	-56.68	282.96	6.72	-49.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007577689	0	32	-1.0	-49.86	277.24	6.22	-43.64
CC(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577690	0	37	-1.0	-59.89	300.86	6.12	-53.77
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007577691	0	38	-1.0	-47.41	316.44	6.43	-40.98
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577692	0	44	-1.0	-54.98	335.94	8.03	-46.95
CC(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577693	0	41	-1.0	-55.02	319.88	7.64	-47.38
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577694	0	43	-1.0	-56.29	355.25	3.71	-52.58
CCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577695	0	41	-1.0	-55.00	324.03	7.93	-47.07
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300007577696	0	36	-1.0	-50.03	310.85	5.66	-44.37
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Br	REAL300007577697	0	35	-1.0	-51.57	300.43	6.87	-44.70
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=C1	REAL300007577698	0	46	-1.0	-53.58	370.58	9.26	-44.32
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007577699	0	36	-1.0	-51.15	305.63	5.50	-45.65
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1C	REAL300007577700	0	47	-1.0	-62.17	338.14	8.87	-53.30
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007577701	0	41	-1.0	-52.99	323.77	5.64	-47.35
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577702	0	48	-1.0	-61.57	367.43	7.78	-53.79
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007577703	0	37	-1.0	-63.97	304.67	6.88	-57.09
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577704	0	36	-1.0	-58.33	312.58	6.11	-52.22
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577705	0	50	-1.0	-60.17	368.01	9.68	-50.49
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007577706	0	35	-1.0	-49.56	298.38	6.71	-42.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007577707	0	42	-1.0	-56.17	323.40	8.18	-47.99
COC1=CC=C(OC)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577708	0	40	-1.0	-64.16	320.74	4.78	-59.38
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OC	REAL300007577709	0	40	-1.0	-53.77	319.67	4.89	-48.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007577710	0	39	-1.0	-58.02	306.20	7.59	-50.43
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007577711	0	40	-1.0	-56.57	317.30	8.00	-48.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007577712	0	37	-1.0	-55.26	295.70	5.56	-49.70
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577713	0	47	-1.0	-54.86	363.10	9.22	-45.64
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1OCC	REAL300007577714	0	46	-1.0	-53.43	363.10	6.72	-46.71
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577715	0	37	-1.0	-57.17	313.83	0.67	-56.50
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007577716	0	40	-1.0	-49.51	323.42	7.50	-42.01
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007577717	0	40	-1.0	-62.45	309.50	7.08	-55.37
CC1=CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2N=C1	REAL300007577718	0	40	-1.0	-60.59	316.98	7.23	-53.36
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007577719	0	38	-1.0	-62.73	305.86	6.12	-56.61
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577720	0	36	-1.0	-54.06	308.41	6.00	-48.06
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577721	0	37	-1.0	-55.40	315.13	0.65	-54.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007577722	0	44	-1.0	-54.45	369.69	3.53	-50.92
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577723	0	40	-1.0	-54.54	323.00	7.02	-47.52
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007577724	0	41	-1.0	-55.06	316.28	6.82	-48.24
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CN=C12	REAL300007577725	0	40	-1.0	-55.77	308.06	6.31	-49.46
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007577726	0	40	-1.0	-66.72	313.72	8.07	-58.65
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577727	0	43	-1.0	-56.06	355.70	3.73	-52.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007577728	0	44	-1.0	-52.66	346.18	4.93	-47.73
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577729	0	38	-1.0	-66.60	321.64	3.23	-63.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007577730	0	42	-1.0	-60.14	327.53	9.25	-50.89
CC1CC(C)CN(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300007577731	0	43	-1.0	-52.69	319.89	5.96	-46.73
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007577732	0	38	-1.0	-57.27	292.90	7.37	-49.90
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007577733	0	42	-1.0	-56.37	333.80	9.12	-47.25
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577734	0	35	-1.0	-54.21	283.14	6.28	-47.93
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C12	REAL300007577735	0	46	-1.0	-55.78	346.35	7.22	-48.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007577736	0	33	-1.0	-52.24	283.62	3.95	-48.29
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577737	0	36	-1.0	-58.60	308.01	6.00	-52.60
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577738	0	47	-1.0	-54.86	350.07	8.50	-46.36
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007577739	0	35	-1.0	-55.97	296.13	6.77	-49.20
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577740	0	42	-1.0	-55.50	330.11	6.62	-48.88
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007577741	0	35	-1.0	-55.01	303.36	6.92	-48.09
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007577742	0	33	-1.0	-45.17	276.93	4.07	-41.10
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007577743	0	37	-1.0	-57.02	315.45	7.83	-49.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007577744	0	37	-1.0	-61.23	295.63	6.58	-54.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007577745	0	43	-1.0	-56.67	366.22	9.17	-47.50
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577746	0	38	-1.0	-49.39	312.28	6.06	-43.33
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007577747	0	36	-1.0	-49.56	296.66	5.06	-44.50
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007577748	0	35	-1.0	-58.10	287.38	6.40	-51.70
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007577749	0	43	-1.0	-52.26	365.25	9.10	-43.16
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)C=C1	REAL300007577750	0	47	-1.0	-54.26	378.02	7.87	-46.39
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(C)C)=C1	REAL300007577751	0	59	-1.0	-60.97	427.52	11.85	-49.12
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007577752	0	48	-1.0	-56.95	362.33	8.34	-48.61
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007577753	0	35	-1.0	-48.08	318.55	7.38	-40.70
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007577754	0	42	-1.0	-57.24	320.75	6.69	-50.55
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577755	0	37	-1.0	-49.08	291.70	6.48	-42.60
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577756	0	37	-1.0	-46.63	286.31	6.32	-40.31
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577757	0	40	-1.0	-50.69	317.46	7.79	-42.90
CC(C)CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577758	0	44	-1.0	-55.21	340.79	8.40	-46.81
COCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577759	0	42	-1.0	-54.66	336.21	6.22	-48.44
COCCN(CCOC)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577760	0	44	-1.0	-50.95	331.22	2.79	-48.16
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577761	0	35	-1.0	-52.10	293.47	6.72	-45.38
COC1=C(C)C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007577762	0	42	-1.0	-54.79	334.25	6.57	-48.22
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577763	0	48	-1.0	-54.11	371.54	8.04	-46.07
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007577764	0	46	-1.0	-54.93	354.97	7.96	-46.97
CC(C)COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577765	0	45	-1.0	-54.55	352.58	7.43	-47.12
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577766	0	42	-1.0	-52.93	332.48	6.74	-46.19
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Cl	REAL300007577767	0	36	-1.0	-49.97	306.46	5.55	-44.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007577768	0	36	-1.0	-52.96	316.22	5.82	-47.14
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007577769	0	39	-1.0	-54.37	310.48	5.74	-48.63
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1OC(C)C	REAL300007577770	0	45	-1.0	-54.53	350.49	7.30	-47.23
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300007577771	0	39	-1.0	-54.72	293.23	5.16	-49.56
COCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577772	0	43	-1.0	-57.61	344.60	5.21	-52.40
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300007577773	0	35	-1.0	-53.41	291.94	6.43	-46.98
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577774	0	35	-1.0	-51.74	285.05	6.48	-45.26
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1C	REAL300007577775	0	40	-1.0	-47.81	299.79	7.48	-40.33
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577776	0	41	-1.0	-66.18	337.44	3.72	-62.46
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007577777	0	44	-1.0	-56.53	368.64	3.56	-52.97
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577778	0	40	-1.0	-56.85	336.26	1.88	-54.97
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577779	0	40	-1.0	-63.44	318.66	3.35	-60.09
CC1=NC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007577780	0	34	-1.0	-53.45	286.92	3.89	-49.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007577781	0	35	-1.0	-55.63	296.66	7.00	-48.63
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1F	REAL300007577782	0	36	-1.0	-50.75	295.61	5.04	-45.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007577783	0	42	-1.0	-55.59	335.12	9.11	-46.48
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007577784	0	35	-1.0	-49.86	320.13	7.45	-42.41
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])S2)=CS1	REAL300007577785	0	38	-1.0	-56.51	341.91	6.28	-50.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007577786	0	52	-1.0	-52.57	394.21	9.33	-43.24
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577787	0	40	-1.0	-64.15	324.77	7.08	-57.07
CNC(=O)C1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1C	REAL300007577788	0	40	-1.0	-54.63	324.10	3.31	-51.32
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300007577789	0	42	-1.0	-59.83	325.24	6.87	-52.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007577790	0	43	-1.0	-57.78	344.88	9.81	-47.97
COC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007577791	0	42	-1.0	-53.97	326.17	6.26	-47.71
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007577792	0	40	-1.0	-58.92	309.69	6.96	-51.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007577793	0	37	-1.0	-54.65	287.60	5.55	-49.10
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCCCC1C(=O)[O-])=C2	REAL300007577794	0	45	-1.0	-57.90	360.47	9.51	-48.39
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007577795	0	37	-1.0	-46.66	304.37	6.01	-40.65
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007577796	0	39	-1.0	-51.75	330.56	6.40	-45.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007577797	0	46	-1.0	-55.80	370.88	8.99	-46.81
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577798	0	40	-1.0	-56.53	323.57	6.98	-49.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007577799	0	42	-1.0	-59.38	346.91	7.20	-52.18
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007577800	0	35	-1.0	-79.64	291.91	5.00	-74.64
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577801	0	54	-1.0	-50.74	387.61	8.21	-42.53
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577802	0	40	-1.0	-55.31	333.01	2.41	-52.90
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007577803	0	35	-1.0	-56.38	293.04	6.48	-49.90
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C12	REAL300007577804	0	45	-1.0	-57.01	343.08	7.65	-49.36
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577805	0	42	-1.0	-60.23	334.56	7.08	-53.15
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007577806	0	37	-1.0	-56.45	308.08	5.88	-50.57
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007577807	0	39	-1.0	-52.95	320.78	6.70	-46.25
CCOCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577808	0	46	-1.0	-57.61	366.45	6.17	-51.44
CCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577809	0	48	-1.0	-52.63	375.48	8.30	-44.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007577810	0	42	-1.0	-56.78	304.55	7.66	-49.12
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007577811	0	38	-1.0	-57.03	308.21	7.14	-49.89
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007577812	0	36	-1.0	-52.72	316.01	7.17	-45.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007577813	0	37	-1.0	-53.35	296.64	4.99	-48.36
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007577814	0	40	-1.0	-63.23	323.74	7.18	-56.05
O=C([O-])C1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007577815	0	38	-1.0	-55.50	305.82	2.32	-53.18
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007577816	0	37	-1.0	-59.55	307.89	5.89	-53.66
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1	REAL300007577817	0	42	-1.0	-54.40	324.82	6.43	-47.97
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577818	0	40	-1.0	-64.99	337.56	1.87	-63.12
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007577819	0	36	-1.0	-55.92	293.73	5.66	-50.26
CSC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577820	0	36	-1.0	-52.76	299.83	6.73	-46.03
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007577821	0	38	-1.0	-56.10	325.35	7.40	-48.70
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577822	0	43	-1.0	-64.78	344.43	7.79	-56.99
CCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])N=C1C	REAL300007577823	0	38	-1.0	-66.53	307.31	6.10	-60.43
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007577824	0	38	-1.0	-56.67	295.75	5.08	-51.59
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007577825	0	37	-1.0	-54.65	287.94	5.48	-49.17
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007577826	0	44	-1.0	-57.52	354.29	7.62	-49.90
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(F)(F)F	REAL300007577827	0	38	-1.0	-56.99	315.38	7.22	-49.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007577828	0	38	-1.0	-59.41	334.50	7.16	-52.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007577829	0	41	-1.0	-53.77	327.07	7.37	-46.40
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C12	REAL300007577830	0	40	-1.0	-55.96	326.99	5.36	-50.60
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577831	0	39	-1.0	-53.14	328.70	6.69	-46.45
COCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577832	0	39	-1.0	-55.76	315.60	5.42	-50.34
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2O1	REAL300007577833	0	43	-1.0	-60.20	342.32	6.97	-53.23
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007577834	0	35	-1.0	-52.83	300.12	6.85	-45.98
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007577835	0	44	-1.0	-63.81	356.21	4.21	-59.60
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007577836	0	39	-1.0	-49.71	332.63	6.21	-43.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007577837	0	40	-1.0	-62.98	321.26	5.97	-57.01
O=C([O-])C1CCCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007577838	0	35	-1.0	-51.79	307.83	7.11	-44.68
CC1CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C2O1	REAL300007577839	0	40	-1.0	-55.52	316.73	6.32	-49.20
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577840	0	44	-1.0	-60.97	326.43	9.40	-51.57
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577841	0	44	-1.0	-63.15	346.36	4.30	-58.85
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007577842	0	43	-1.0	-53.59	365.89	9.09	-44.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007577843	0	38	-1.0	-62.97	328.10	7.09	-55.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007577844	0	38	-1.0	-59.29	344.82	7.61	-51.68
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=CO1	REAL300007577845	0	41	-1.0	-62.39	336.01	4.78	-57.61
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007577846	0	35	-1.0	-46.29	296.99	4.24	-42.05
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007577847	0	35	-1.0	-54.53	290.05	6.07	-48.46
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007577848	0	35	-1.0	-58.02	286.97	4.35	-53.67
COC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007577849	0	35	-1.0	-53.48	287.90	2.34	-51.14
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007577850	0	40	-1.0	-55.25	314.38	6.30	-48.95
O=C([O-])C1CCCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007577851	0	39	-1.0	-55.20	310.32	7.75	-47.45
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=N2)C=C1	REAL300007577852	0	42	-1.0	-58.00	342.90	7.44	-50.56
CC1CC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC(Cl)=C2O1	REAL300007577853	0	40	-1.0	-50.15	334.47	6.80	-43.35
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007577854	0	37	-1.0	-49.80	305.70	6.90	-42.90
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007577855	0	43	-1.0	-56.74	348.73	6.40	-50.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007577856	0	34	-1.0	-53.82	292.74	5.16	-48.66
CN(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577857	0	40	-1.0	-57.30	311.56	6.14	-51.16
CC1=CC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2C=C1	REAL300007577858	0	41	-1.0	-57.54	326.96	8.64	-48.90
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])SC=C1	REAL300007577859	0	33	-1.0	-55.53	280.56	4.73	-50.80
CN(C)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577860	0	40	-1.0	-56.10	309.01	6.02	-50.08
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007577861	0	37	-1.0	-58.02	293.99	5.41	-52.61
O=C([O-])C1CCCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007577862	0	37	-1.0	-52.02	307.17	5.64	-46.38
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007577863	0	37	-1.0	-54.16	296.46	5.51	-48.65
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007577864	0	38	-1.0	-50.63	324.91	7.73	-42.90
CN1CCCC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C21	REAL300007577865	0	44	-1.0	-59.30	334.95	6.24	-53.06
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007577866	0	34	-1.0	-52.23	296.23	4.96	-47.27
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577867	0	40	-1.0	-61.09	313.09	6.05	-55.04
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577868	0	40	-1.0	-46.44	307.89	6.94	-39.50
CC1=CC=C(C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007577869	0	40	-1.0	-77.37	323.65	8.62	-68.75
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007577870	0	40	-1.0	-63.20	307.76	6.97	-56.23
COC1=CC=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577871	0	42	-1.0	-52.74	337.69	6.51	-46.23
COC1=CN=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577872	0	35	-1.0	-53.99	285.29	3.13	-50.86
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007577873	0	41	-1.0	-53.51	333.26	7.32	-46.19
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007577874	0	39	-1.0	-55.00	308.95	7.82	-47.18
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(OC)=C1	REAL300007577875	0	40	-1.0	-58.64	318.73	4.31	-54.33
O=C([O-])C1CCCCN1S(=O)(=O)CCC1CCCCC1	REAL300007577876	0	44	-1.0	-52.08	328.91	7.37	-44.71
CC1=CC=C(CCS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577877	0	41	-1.0	-53.18	329.59	7.88	-45.30
CC1=CC2=C(C=C1S(=O)(=O)N1CCCCC1C(=O)[O-])OCO2	REAL300007577878	0	38	-1.0	-60.14	296.82	4.89	-55.25
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007577879	0	35	-1.0	-57.06	287.61	5.87	-51.19
COC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300007577880	0	36	-1.0	-50.46	305.42	5.52	-44.94
CN1C=NC2=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=CC=C21	REAL300007577881	0	38	-1.0	-58.53	308.87	7.02	-51.51
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007577882	0	40	-1.0	-69.82	318.07	7.60	-62.22
CC1=NC2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2O1	REAL300007577883	0	37	-1.0	-54.26	304.25	3.34	-50.92
CCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1CC	REAL300007577884	0	44	-1.0	-57.16	337.97	8.25	-48.91
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577885	0	40	-1.0	-52.89	321.28	8.09	-44.80
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577886	0	42	-1.0	-53.68	315.11	6.48	-47.20
CC1=C(C)SC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577887	0	35	-1.0	-54.30	293.21	6.05	-48.25
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577888	0	33	-1.0	-50.79	275.49	3.53	-47.26
CCC1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007577889	0	34	-1.0	-48.85	290.26	4.29	-44.56
CN(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007577890	0	39	-1.0	-58.08	309.11	5.52	-52.56
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007577891	0	35	-1.0	-52.16	292.64	6.07	-46.09
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007577892	0	38	-1.0	-66.42	307.18	7.26	-59.16
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007577893	0	35	-1.0	-53.44	285.63	4.20	-49.24
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC(C)=C1F	REAL300007577894	0	38	-1.0	-51.45	307.71	7.03	-44.42
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007577895	0	39	-1.0	-54.76	315.73	5.46	-49.30
O=C([O-])C1CCCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007577896	0	45	-1.0	-54.23	363.70	7.26	-46.97
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007577897	0	36	-1.0	-55.93	297.47	5.43	-50.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007577898	0	34	-1.0	-57.22	289.16	5.20	-52.02
CC1=NC(CS(=O)(=O)N2CCCCC2C(=O)[O-])=CS1	REAL300007577899	0	34	-1.0	-59.93	293.21	4.09	-55.84
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007577900	0	35	-1.0	-51.25	303.35	6.93	-44.32
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CC=C1Cl	REAL300007577901	0	35	-1.0	-51.51	296.39	6.79	-44.72
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007577902	0	38	-1.0	-71.18	309.04	6.66	-64.52
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=C2)=N1	REAL300007577903	0	41	-1.0	-53.12	345.85	7.18	-45.94
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007577904	0	40	-1.0	-59.03	304.49	6.68	-52.35
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007577905	0	39	-1.0	-59.43	325.81	3.55	-55.88
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007577906	0	41	-1.0	-53.94	316.84	5.84	-48.10
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007577907	0	35	-1.0	-49.23	300.71	6.75	-42.48
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577908	0	57	-1.0	-54.28	439.97	10.64	-43.64
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577909	0	45	-1.0	-53.32	350.78	7.37	-45.95
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCC1	REAL300007577910	0	45	-1.0	-52.14	336.59	5.93	-46.21
COC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CCCCC1	REAL300007577911	0	48	-1.0	-53.81	348.85	6.97	-46.84
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007577912	0	46	-1.0	-59.65	378.43	9.04	-50.61
CCOC(CS(=O)(=O)N1CCCCC1C(=O)[O-])C1CC1	REAL300007577913	0	42	-1.0	-52.34	325.60	6.08	-46.26
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007577914	0	51	-1.0	-53.79	392.39	8.74	-45.05
CCC1=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN1CC1CC1	REAL300007577915	0	45	-1.0	-66.55	360.40	8.27	-58.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007577916	0	35	-1.0	-54.24	299.90	5.09	-49.15
CC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007577917	0	40	-1.0	-44.71	325.07	7.78	-36.93
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577918	0	39	-1.0	-54.43	307.22	5.66	-48.77
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007577919	0	45	-1.0	-52.19	358.24	7.79	-44.40
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577920	0	35	-1.0	-48.52	299.26	4.01	-44.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007577921	0	43	-1.0	-53.44	361.13	9.80	-43.64
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007577922	0	42	-1.0	-62.46	325.30	8.89	-53.57
CCC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C(C)C=C1OC	REAL300007577923	0	45	-1.0	-57.11	334.64	6.60	-50.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007577924	0	38	-1.0	-49.27	330.86	7.59	-41.68
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCCC2C(=O)[O-])=N1	REAL300007577925	0	34	-1.0	-61.40	289.85	4.97	-56.43
CC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007577926	0	41	-1.0	-62.75	314.52	8.84	-53.91
CC(C)OC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007577927	0	41	-1.0	-53.76	330.14	4.21	-49.55
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577928	0	36	-1.0	-49.94	287.92	5.59	-44.35
CCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007577929	0	48	-1.0	-53.98	370.89	7.94	-46.04
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007577930	0	44	-1.0	-57.80	338.89	7.94	-49.86
O=C([O-])C1CCCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007577931	0	51	-1.0	-54.19	388.49	10.23	-43.96
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577932	0	42	-1.0	-55.14	321.35	5.92	-49.22
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007577933	0	44	-1.0	-55.55	329.08	5.59	-49.96
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007577934	0	42	-1.0	-57.13	328.41	6.00	-51.13
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577935	0	35	-1.0	-54.75	288.37	4.35	-50.40
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577936	0	39	-1.0	-53.17	318.36	6.25	-46.92
C=CCCC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007577937	0	42	-1.0	-55.24	336.84	8.49	-46.75
CCC1=NN(C)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577938	0	38	-1.0	-57.67	304.56	4.48	-53.19
CCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007577939	0	54	-1.0	-54.70	411.95	9.47	-45.23
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007577940	0	36	-1.0	-51.83	311.73	7.35	-44.48
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)(C)C	REAL300007577941	0	54	-1.0	-55.53	402.95	9.35	-46.18
CCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1CC	REAL300007577942	0	48	-1.0	-55.59	375.48	8.20	-47.39
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577943	0	38	-1.0	-56.02	309.81	7.94	-48.08
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577944	0	38	-1.0	-51.93	323.59	7.60	-44.33
O=C([O-])C1CCCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007577945	0	36	-1.0	-53.84	309.34	7.26	-46.58
CCCC1=CC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577946	0	41	-1.0	-55.19	310.66	7.90	-47.29
COC1=NC=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577947	0	35	-1.0	-54.84	289.56	2.88	-51.96
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577948	0	48	-1.0	-59.64	374.79	8.60	-51.04
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007577949	0	37	-1.0	-53.67	287.90	5.50	-48.17
CC1=CSC(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577950	0	35	-1.0	-56.93	283.06	6.42	-50.51
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007577951	0	39	-1.0	-51.16	310.90	5.34	-45.82
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007577952	0	39	-1.0	-52.96	305.27	5.40	-47.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007577953	0	42	-1.0	-53.13	323.70	6.37	-46.76
CC1(C)COC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=NN2C1	REAL300007577954	0	43	-1.0	-59.99	340.21	3.76	-56.23
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007577955	0	38	-1.0	-52.18	327.09	6.62	-45.56
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300007577956	0	39	-1.0	-60.33	301.21	5.68	-54.65
CCCCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007577957	0	57	-1.0	-53.53	435.39	10.30	-43.23
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007577958	0	48	-1.0	-56.42	348.67	6.99	-49.43
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577959	0	42	-1.0	-58.56	327.96	6.94	-51.62
CCOCCOC1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C(C)C	REAL300007577960	0	55	-1.0	-55.59	426.37	8.16	-47.43
CC1CC2=CC=CC(S(=O)(=O)N3CCCCC3C(=O)[O-])=C2O1	REAL300007577961	0	40	-1.0	-59.53	321.47	6.34	-53.19
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])S1	REAL300007577962	0	40	-1.0	-49.73	328.93	5.37	-44.36
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007577963	0	38	-1.0	-57.97	310.49	6.44	-51.53
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577964	0	37	-1.0	-64.53	294.13	5.19	-59.34
O=C([O-])C1CCCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007577965	0	41	-1.0	-56.02	306.52	5.74	-50.28
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007577966	0	36	-1.0	-51.04	317.74	6.30	-44.74
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007577967	0	33	-1.0	-45.34	275.65	4.48	-40.86
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007577968	0	35	-1.0	-55.37	299.08	7.15	-48.22
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577969	0	39	-1.0	-52.80	312.86	5.05	-47.75
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=C1F	REAL300007577970	0	41	-1.0	-59.80	316.77	8.00	-51.80
COC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1OC	REAL300007577971	0	40	-1.0	-62.50	317.11	5.10	-57.40
O=C([O-])C1CCCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300007577972	0	35	-1.0	-53.22	286.69	5.71	-47.51
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CCCC2)=N1	REAL300007577973	0	45	-1.0	-59.17	348.82	6.28	-52.89
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577974	0	44	-1.0	-55.17	341.11	6.43	-48.74
CCCCN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C)=N1	REAL300007577975	0	44	-1.0	-51.16	349.77	6.25	-44.91
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CC2)=N1	REAL300007577976	0	39	-1.0	-53.78	303.04	4.85	-48.93
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007577977	0	36	-1.0	-53.78	298.87	5.29	-48.49
CN1N=NC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C21	REAL300007577978	0	37	-1.0	-56.91	303.78	4.02	-52.89
CC1=CC(C)=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1Br	REAL300007577979	0	38	-1.0	-56.89	302.88	6.99	-49.90
CC1(C)CCCN(S(=O)(=O)N2CCCCC2C(=O)[O-])C1	REAL300007577980	0	43	-1.0	-52.16	313.24	5.79	-46.37
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007577981	0	38	-1.0	-48.16	328.70	6.74	-41.42
CN1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C(C2CCC2)=N1	REAL300007577982	0	42	-1.0	-53.95	332.39	6.01	-47.94
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577983	0	50	-1.0	-57.25	359.37	8.86	-48.39
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007577984	0	38	-1.0	-48.33	331.71	7.58	-40.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007577985	0	42	-1.0	-49.77	334.20	6.22	-43.55
O=C([O-])C1CCCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007577986	0	36	-1.0	-56.25	298.33	6.50	-49.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007577987	0	43	-1.0	-53.06	359.71	8.10	-44.96
COC1=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007577988	0	41	-1.0	-73.39	324.49	7.59	-65.80
CCCC1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577989	0	41	-1.0	-54.93	324.92	7.91	-47.02
CN1N=C2CCCC2=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577990	0	39	-1.0	-56.16	307.88	5.37	-50.79
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007577991	0	41	-1.0	-53.09	306.01	5.32	-47.77
CC(C)(C)N1C=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=N1	REAL300007577992	0	41	-1.0	-58.43	325.44	5.35	-53.08
O=C([O-])C1CCCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007577993	0	39	-1.0	-49.67	298.15	4.00	-45.67
CC1=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=CN=C1C(F)(F)F	REAL300007577994	0	37	-1.0	-51.76	310.33	5.26	-46.50
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007577995	0	35	-1.0	-48.67	306.14	6.77	-41.90
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007577996	0	43	-1.0	-56.09	345.07	7.75	-48.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007577997	0	43	-1.0	-57.92	330.13	8.59	-49.33
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007577998	0	38	-1.0	-52.07	322.99	6.64	-45.43
O=C([O-])C1CCCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007577999	0	38	-1.0	-54.92	302.27	6.06	-48.86
O=C([O-])C1CCCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007578000	0	39	-1.0	-62.51	315.94	4.05	-58.46
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300007578383	0	38	-1.0	-50.79	299.02	6.22	-44.57
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300007578384	0	45	-1.0	-59.16	359.48	5.88	-53.28
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300007578385	0	45	-1.0	-55.90	370.31	2.28	-53.62
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300007578386	0	42	-1.0	-53.41	321.72	7.86	-45.55
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007578387	0	42	-1.0	-65.84	343.64	7.29	-58.55
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007578388	0	45	-1.0	-54.71	352.62	4.20	-50.51
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300007578389	0	48	-1.0	-61.06	392.79	6.89	-54.17
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300007578390	0	48	-1.0	-60.54	387.73	6.97	-53.57
CCCN1C=NC(S(=O)(=O)N(CC(=O)[O-])C(C)CC)=C1	REAL300007578391	0	40	-1.0	-46.57	331.03	6.32	-40.25
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCOCCOCCOC	REAL300007578392	0	48	-1.0	-56.92	386.70	3.17	-53.75
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300007578393	0	50	-1.0	-39.95	382.83	7.43	-32.52
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300007578394	0	41	-1.0	-51.14	345.00	6.02	-45.12
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007578395	0	42	-1.0	-42.38	340.75	3.67	-38.71
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300007578396	0	38	-1.0	-51.94	327.57	5.65	-46.29
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007578397	0	38	-1.0	-51.68	315.00	5.96	-45.72
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300007578398	0	40	-1.0	-42.24	339.00	6.33	-35.91
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300007578399	0	40	-1.0	-40.26	328.56	6.93	-33.33
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300007578400	0	40	-1.0	-51.91	323.53	7.06	-44.85
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300007578401	0	40	-1.0	-50.19	332.87	6.83	-43.36
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300007578402	0	43	-1.0	-45.94	324.56	7.36	-38.58
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300007578403	0	46	-1.0	-57.48	352.40	2.38	-55.10
CCOC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)CC)=C1	REAL300007578404	0	41	-1.0	-48.64	332.14	6.22	-42.42
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CCOC)N=C1	REAL300007578405	0	41	-1.0	-52.02	336.99	3.30	-48.72
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007578406	0	41	-1.0	-58.33	341.14	6.27	-52.06
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007578407	0	42	-1.0	-42.39	355.49	8.25	-34.14
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007578408	0	39	-1.0	-45.44	321.96	6.32	-39.12
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007578409	0	37	-1.0	-41.21	327.07	7.40	-33.81
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007578410	0	37	-1.0	-56.22	319.26	6.68	-49.54
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007578411	0	41	-1.0	-65.20	341.41	3.59	-61.61
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300007578412	0	37	-1.0	-52.87	319.50	7.00	-45.87
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300007578413	0	37	-1.0	-51.52	302.68	6.56	-44.96
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300007578414	0	41	-1.0	-43.84	324.48	5.54	-38.30
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300007578415	0	38	-1.0	-50.86	328.36	5.28	-45.58
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300007578416	0	42	-1.0	-41.31	346.61	5.72	-35.59
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007578417	0	37	-1.0	-53.77	321.20	4.75	-49.02
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007578418	0	37	-1.0	-53.46	315.17	4.58	-48.88
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007578419	0	45	-1.0	-53.44	354.25	7.03	-46.41
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007578420	0	37	-1.0	-59.74	314.37	4.97	-54.77
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)CC	REAL300007578421	0	45	-1.0	-51.27	345.34	4.21	-47.06
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1	REAL300007578422	0	46	-1.0	-57.24	380.40	4.93	-52.31
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300007578423	0	38	-1.0	-44.74	305.64	6.24	-38.50
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007578424	0	42	-1.0	-57.17	357.39	2.09	-55.08
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1	REAL300007578425	0	48	-1.0	-54.98	395.92	3.51	-51.47
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007578426	0	45	-1.0	-58.68	354.12	4.95	-53.73
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300007578427	0	45	-1.0	-56.01	378.86	2.98	-53.03
CCC1=CC=C(CS(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1	REAL300007578428	0	43	-1.0	-57.45	345.36	7.56	-49.89
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=CS1	REAL300007578429	0	37	-1.0	-55.46	314.20	6.00	-49.46
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007578430	0	49	-1.0	-53.05	392.18	5.75	-47.30
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007578431	0	46	-1.0	-44.57	365.38	5.04	-39.53
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300007578432	0	43	-1.0	-46.34	365.65	4.01	-42.33
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300007578433	0	44	-1.0	-63.26	359.75	3.11	-60.15
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C(C)=C1	REAL300007578434	0	43	-1.0	-44.75	344.19	7.99	-36.76
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1Br	REAL300007578435	0	41	-1.0	-54.02	350.20	6.21	-47.81
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300007578436	0	48	-1.0	-45.70	391.66	8.66	-37.04
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007578437	0	38	-1.0	-51.68	325.32	6.42	-45.26
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300007578438	0	41	-1.0	-56.93	347.66	6.46	-50.47
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007578439	0	48	-1.0	-46.46	396.49	7.55	-38.91
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300007578440	0	41	-1.0	-49.62	339.00	7.28	-42.34
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300007578441	0	46	-1.0	-54.01	367.31	7.26	-46.75
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC	REAL300007578442	0	41	-1.0	-61.99	342.08	0.60	-61.39
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300007578443	0	40	-1.0	-50.05	330.01	7.08	-42.97
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007578444	0	37	-1.0	-52.16	334.47	7.31	-44.85
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300007578445	0	40	-1.0	-44.31	329.34	7.72	-36.59
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007578446	0	37	-1.0	-42.95	323.29	7.01	-35.94
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007578447	0	40	-1.0	-56.10	331.97	7.84	-48.26
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007578448	0	40	-1.0	-55.62	337.80	7.51	-48.11
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007578449	0	45	-1.0	-56.36	358.86	7.22	-49.14
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007578450	0	48	-1.0	-58.42	385.81	9.16	-49.26
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007578451	0	47	-1.0	-57.86	383.31	7.26	-50.60
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007578452	0	45	-1.0	-46.83	382.03	3.14	-43.69
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300007578453	0	43	-1.0	-44.22	341.99	8.55	-35.67
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300007578454	0	45	-1.0	-45.80	358.37	6.26	-39.54
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007578455	0	40	-1.0	-56.61	339.16	7.83	-48.78
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007578456	0	39	-1.0	-57.93	315.33	2.32	-55.61
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300007578457	0	47	-1.0	-42.48	366.75	6.54	-35.94
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300007578458	0	41	-1.0	-52.01	329.86	5.90	-46.11
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007578459	0	43	-1.0	-50.46	366.46	4.30	-46.16
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300007578460	0	38	-1.0	-45.75	338.69	7.06	-38.69
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CC(=O)[O-])C(C)CC	REAL300007578461	0	46	-1.0	-52.87	344.62	5.47	-47.40
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007578462	0	42	-1.0	-51.72	347.95	4.30	-47.42
CCC1=NOC2=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C12	REAL300007578463	0	41	-1.0	-46.58	343.25	3.63	-42.95
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007578464	0	45	-1.0	-44.29	377.90	5.68	-38.61
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007578465	0	39	-1.0	-43.86	327.87	4.71	-39.15
CCC1=CC(CC)=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C(CC)=C1	REAL300007578466	0	52	-1.0	-43.74	359.23	9.37	-34.37
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007578467	0	41	-1.0	-63.28	321.66	5.65	-57.63
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007578468	0	40	-1.0	-49.72	345.34	3.74	-45.98
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007578469	0	43	-1.0	-48.19	342.89	8.73	-39.46
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300007578470	0	41	-1.0	-52.21	314.75	5.27	-46.94
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1(C)CCCCC1	REAL300007578471	0	46	-1.0	-56.74	328.56	6.91	-49.83
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007578472	0	43	-1.0	-54.50	340.10	6.89	-47.61
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007578474	0	42	-1.0	-46.16	350.45	7.22	-38.94
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300007578475	0	41	-1.0	-53.47	348.54	5.95	-47.52
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300007578476	0	40	-1.0	-57.82	329.20	6.82	-51.00
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007578478	0	34	-1.0	-37.92	316.21	5.79	-32.13
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007578479	0	47	-1.0	-57.46	367.47	8.70	-48.76
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007578480	0	45	-1.0	-59.89	360.59	6.14	-53.75
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007578481	0	43	-1.0	-65.37	338.85	3.05	-62.32
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007578482	0	37	-1.0	-43.98	319.91	6.06	-37.92
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=C(C)N=CS1	REAL300007578483	0	39	-1.0	-55.04	326.48	5.10	-49.94
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	REAL300007578484	0	44	-1.0	-42.57	326.61	7.04	-35.53
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300007578485	0	46	-1.0	-45.83	363.05	7.19	-38.64
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300007578486	0	47	-1.0	-42.36	339.43	8.07	-34.29
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007578487	0	45	-1.0	-59.61	355.28	3.20	-56.41
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300007578488	0	43	-1.0	-45.21	335.72	6.76	-38.45
CCC(C)N(CC(=O)[O-])S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007578489	0	41	-1.0	-56.32	330.62	7.50	-48.82
CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1[N+](=O)[O-]	REAL300007578490	0	42	-1.0	-51.83	340.86	7.14	-44.69
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007578491	0	34	-1.0	-50.67	293.52	6.24	-44.43
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007578492	0	34	-1.0	-50.51	298.09	6.34	-44.17
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007578493	0	36	-1.0	-49.26	305.01	6.39	-42.87
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007578494	0	40	-1.0	-47.08	326.60	8.25	-38.83
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007578495	0	36	-1.0	-49.02	309.06	6.67	-42.35
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300007578496	0	39	-1.0	-52.90	309.05	6.60	-46.30
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1	REAL300007578497	0	38	-1.0	-53.80	306.27	5.03	-48.77
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007578498	0	36	-1.0	-49.60	290.45	6.94	-42.66
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)CC	REAL300007578499	0	41	-1.0	-48.99	334.11	7.66	-41.33
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1	REAL300007578500	0	41	-1.0	-52.75	328.12	5.95	-46.80
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300007578501	0	46	-1.0	-44.39	335.85	7.89	-36.50
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300007578502	0	43	-1.0	-42.01	306.25	6.88	-35.13
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300007578503	0	49	-1.0	-53.48	357.04	8.25	-45.23
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007578504	0	37	-1.0	-44.65	319.86	7.01	-37.64
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007578505	0	37	-1.0	-43.75	298.26	6.61	-37.14
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007578506	0	34	-1.0	-43.66	297.52	6.50	-37.16
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300007578507	0	39	-1.0	-57.06	317.96	6.14	-50.92
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300007578508	0	40	-1.0	-41.25	338.99	6.33	-34.92
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007578509	0	46	-1.0	-53.40	352.95	8.04	-45.36
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300007578510	0	43	-1.0	-53.55	337.02	7.65	-45.90
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007578511	0	45	-1.0	-55.25	372.38	3.72	-51.53
CCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1	REAL300007578512	0	43	-1.0	-53.62	341.18	7.94	-45.68
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC	REAL300007578513	0	38	-1.0	-58.61	299.27	5.54	-53.07
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300007578514	0	38	-1.0	-45.82	333.38	5.55	-40.27
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300007578515	0	37	-1.0	-41.50	322.98	6.78	-34.72
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300007578516	0	48	-1.0	-53.18	385.62	9.24	-43.94
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007578517	0	38	-1.0	-49.65	322.77	5.52	-44.13
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300007578518	0	49	-1.0	-45.70	349.18	8.33	-37.37
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007578519	0	43	-1.0	-46.11	346.27	5.52	-40.59
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300007578520	0	50	-1.0	-51.76	368.71	8.49	-43.27
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300007578521	0	39	-1.0	-50.79	327.70	6.78	-44.01
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300007578522	0	38	-1.0	-49.38	313.93	6.79	-42.59
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300007578523	0	52	-1.0	-42.21	359.95	8.46	-33.75
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007578524	0	37	-1.0	-50.09	315.53	6.72	-43.37
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007578525	0	44	-1.0	-45.20	343.56	8.49	-36.71
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300007578526	0	42	-1.0	-53.86	322.11	5.45	-48.41
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300007578527	0	42	-1.0	-54.99	337.17	4.52	-50.47
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007578528	0	41	-1.0	-54.73	322.33	7.63	-47.10
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007578529	0	42	-1.0	-44.95	333.55	7.89	-37.06
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007578530	0	39	-1.0	-53.43	314.31	5.16	-48.27
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300007578531	0	49	-1.0	-53.59	380.19	9.22	-44.37
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1OCC	REAL300007578532	0	48	-1.0	-45.02	385.91	6.64	-38.38
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007578533	0	39	-1.0	-56.66	330.91	0.68	-55.98
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1	REAL300007578534	0	42	-1.0	-51.17	339.50	7.58	-43.59
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300007578535	0	42	-1.0	-47.06	334.14	7.25	-39.81
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300007578536	0	42	-1.0	-51.55	337.84	7.42	-44.13
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300007578537	0	40	-1.0	-46.55	319.90	6.23	-40.32
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300007578538	0	38	-1.0	-54.38	315.83	6.04	-48.34
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007578539	0	39	-1.0	-54.49	337.64	0.54	-53.95
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007578540	0	46	-1.0	-44.10	390.99	3.39	-40.71
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300007578541	0	42	-1.0	-47.38	329.98	6.37	-41.01
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300007578542	0	42	-1.0	-66.64	335.39	8.42	-58.22
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007578543	0	45	-1.0	-55.97	374.05	3.30	-52.67
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007578544	0	46	-1.0	-58.79	364.87	4.67	-54.12
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007578545	0	40	-1.0	-58.11	344.16	3.11	-55.00
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007578546	0	44	-1.0	-44.87	340.27	9.50	-35.37
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007578547	0	40	-1.0	-46.62	299.23	6.91	-39.71
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007578548	0	44	-1.0	-54.31	350.92	9.14	-45.17
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C	REAL300007578549	0	37	-1.0	-52.12	290.84	6.11	-46.01
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007578550	0	48	-1.0	-53.38	363.08	7.30	-46.08
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007578551	0	35	-1.0	-61.37	298.92	4.31	-57.06
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300007578552	0	38	-1.0	-49.55	309.36	6.67	-42.88
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1	REAL300007578553	0	38	-1.0	-48.31	310.32	5.29	-43.02
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1	REAL300007578554	0	49	-1.0	-53.42	367.16	8.51	-44.91
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300007578555	0	37	-1.0	-51.61	313.91	6.42	-45.19
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300007578556	0	44	-1.0	-52.79	344.85	6.62	-46.17
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007578557	0	37	-1.0	-41.26	322.50	7.29	-33.97
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007578558	0	35	-1.0	-61.94	292.54	4.75	-57.19
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007578559	0	39	-1.0	-42.40	328.77	7.94	-34.46
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007578560	0	39	-1.0	-51.81	316.60	6.77	-45.04
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007578561	0	45	-1.0	-54.10	380.83	9.13	-44.97
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300007578562	0	40	-1.0	-52.18	327.32	6.19	-45.99
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300007578563	0	38	-1.0	-55.00	314.15	4.69	-50.31
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300007578564	0	37	-1.0	-51.54	305.16	6.02	-45.52
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007578565	0	45	-1.0	-52.44	380.93	9.09	-43.35
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300007578566	0	49	-1.0	-52.73	395.33	7.95	-44.78
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300007578567	0	61	-1.0	-52.69	432.82	11.30	-41.39
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300007578568	0	50	-1.0	-55.22	382.37	8.22	-47.00
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007578569	0	37	-1.0	-38.68	337.69	7.75	-30.93
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300007578570	0	44	-1.0	-55.55	343.58	6.69	-48.86
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300007578571	0	39	-1.0	-39.77	318.06	6.59	-33.18
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300007578572	0	39	-1.0	-53.01	306.64	6.58	-46.43
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])C(C)CC	REAL300007578573	0	42	-1.0	-37.46	333.33	8.01	-29.45
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300007578574	0	46	-1.0	-53.78	357.99	8.40	-45.38
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCOC)C=C1	REAL300007578575	0	44	-1.0	-53.77	353.30	6.23	-47.54
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300007578576	0	37	-1.0	-51.81	301.18	6.56	-45.25
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300007578577	0	44	-1.0	-52.84	351.95	6.20	-46.64
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300007578578	0	50	-1.0	-52.88	388.69	8.06	-44.82
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007578579	0	48	-1.0	-52.52	370.76	7.98	-44.54
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300007578580	0	47	-1.0	-53.03	369.73	7.45	-45.58
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1	REAL300007578581	0	44	-1.0	-53.06	349.63	6.75	-46.31
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300007578582	0	38	-1.0	-45.96	328.97	5.44	-40.52
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007578583	0	38	-1.0	-53.05	333.71	5.44	-47.61
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300007578584	0	41	-1.0	-54.23	328.00	5.36	-48.87
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300007578585	0	47	-1.0	-53.71	367.78	6.91	-46.80
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300007578586	0	41	-1.0	-43.97	319.56	5.24	-38.73
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300007578587	0	45	-1.0	-55.56	361.75	5.22	-50.34
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300007578588	0	37	-1.0	-57.98	307.78	6.15	-51.83
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300007578589	0	37	-1.0	-40.80	311.17	6.55	-34.25
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300007578590	0	42	-1.0	-54.59	303.99	7.15	-47.44
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300007578591	0	43	-1.0	-62.08	341.53	3.45	-58.63
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007578592	0	46	-1.0	-55.10	385.79	3.57	-51.53
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300007578593	0	42	-1.0	-55.75	353.39	1.89	-53.86
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC	REAL300007578594	0	42	-1.0	-44.58	333.77	3.43	-41.15
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)N=C(C)S1	REAL300007578595	0	36	-1.0	-44.07	304.86	4.51	-39.56
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007578596	0	37	-1.0	-43.48	306.22	6.52	-36.96
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300007578597	0	38	-1.0	-51.34	314.16	4.69	-46.65
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007578598	0	44	-1.0	-45.38	355.04	9.42	-35.96
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007578599	0	37	-1.0	-39.68	339.16	7.31	-32.37
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300007578600	0	40	-1.0	-46.64	363.08	6.15	-40.49
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007578601	0	54	-1.0	-52.15	411.35	9.35	-42.80
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300007578602	0	42	-1.0	-64.43	336.21	7.06	-57.37
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300007578603	0	42	-1.0	-46.11	347.66	3.24	-42.87
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300007578604	0	44	-1.0	-41.47	313.11	5.44	-36.03
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007578605	0	45	-1.0	-54.49	361.02	9.85	-44.64
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300007578606	0	44	-1.0	-52.77	333.90	6.08	-46.69
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300007578607	0	42	-1.0	-45.86	327.96	6.72	-39.14
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007578608	0	39	-1.0	-56.76	304.27	5.66	-51.10
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007578609	0	47	-1.0	-58.72	378.17	9.14	-49.58
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300007578610	0	39	-1.0	-58.65	320.45	6.10	-52.55
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007578611	0	41	-1.0	-53.64	347.69	6.42	-47.22
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007578612	0	48	-1.0	-53.63	388.02	9.01	-44.62
CCC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)CC)=C1	REAL300007578613	0	42	-1.0	-55.90	343.89	7.26	-48.64
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007578614	0	44	-1.0	-52.76	361.84	7.21	-45.55
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007578615	0	37	-1.0	-53.58	305.39	4.57	-49.01
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007578616	0	42	-1.0	-58.15	353.67	2.43	-55.72
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007578617	0	37	-1.0	-41.31	312.18	6.85	-34.46
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C2=CC=CC=C12	REAL300007578618	0	47	-1.0	-47.79	364.99	7.71	-40.08
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)CC	REAL300007578619	0	44	-1.0	-50.21	334.27	7.70	-42.51
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007578620	0	39	-1.0	-57.04	329.09	6.16	-50.88
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007578621	0	41	-1.0	-54.73	336.44	6.79	-47.94
CCOCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1	REAL300007578622	0	48	-1.0	-54.59	383.60	6.19	-48.40
CCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1	REAL300007578623	0	50	-1.0	-52.94	392.63	8.32	-44.62
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007578624	0	44	-1.0	-45.18	331.62	7.99	-37.19
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007578625	0	40	-1.0	-56.63	327.10	7.20	-49.43
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007578626	0	38	-1.0	-49.80	333.15	7.19	-42.61
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007578627	0	39	-1.0	-43.81	317.25	5.18	-38.63
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007578628	0	42	-1.0	-55.41	345.66	7.33	-48.08
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007578629	0	40	-1.0	-64.46	313.67	1.48	-62.98
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007578630	0	39	-1.0	-58.79	325.03	5.91	-52.88
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C(C)=C1	REAL300007578631	0	44	-1.0	-43.20	341.20	6.33	-36.87
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300007578632	0	42	-1.0	-54.91	360.09	1.75	-53.16
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007578633	0	38	-1.0	-55.52	309.04	5.80	-49.72
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C=C1	REAL300007578634	0	38	-1.0	-53.39	316.96	6.75	-46.64
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007578635	0	40	-1.0	-41.01	344.83	7.80	-33.21
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC)C(C)=N1	REAL300007578636	0	40	-1.0	-57.90	326.38	5.31	-52.59
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007578637	0	40	-1.0	-57.53	313.28	5.31	-52.22
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007578638	0	39	-1.0	-46.62	309.87	5.54	-41.08
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007578639	0	46	-1.0	-46.09	372.82	7.47	-38.62
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300007578640	0	40	-1.0	-51.31	332.87	6.83	-44.48
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007578641	0	40	-1.0	-57.14	347.92	6.51	-50.63
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007578642	0	43	-1.0	-43.31	348.26	7.20	-36.11
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300007578643	0	42	-1.0	-51.34	344.70	4.96	-46.38
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1OC	REAL300007578644	0	41	-1.0	-57.68	346.36	6.48	-51.20
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300007578645	0	41	-1.0	-45.67	335.90	5.72	-39.95
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007578646	0	45	-1.0	-61.51	354.35	6.73	-54.78
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007578647	0	37	-1.0	-56.60	316.05	6.57	-50.03
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007578648	0	46	-1.0	-68.90	373.26	4.22	-64.68
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007578649	0	41	-1.0	-56.19	348.48	5.91	-50.28
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007578650	0	42	-1.0	-62.71	339.94	6.28	-56.43
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007578651	0	37	-1.0	-46.25	331.73	7.65	-38.60
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300007578652	0	42	-1.0	-53.18	333.84	6.34	-46.84
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CC(=O)[O-])C(C)CC	REAL300007578653	0	46	-1.0	-42.16	314.04	8.08	-34.08
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300007578654	0	46	-1.0	-58.61	358.72	4.37	-54.24
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007578655	0	45	-1.0	-52.76	382.79	9.14	-43.62
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007578656	0	40	-1.0	-53.61	346.90	6.23	-47.38
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007578657	0	40	-1.0	-56.83	358.24	6.96	-49.87
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300007578658	0	43	-1.0	-55.89	352.46	4.82	-51.07
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007578659	0	37	-1.0	-40.51	316.62	4.36	-36.15
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007578660	0	37	-1.0	-47.42	313.40	5.99	-41.43
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007578661	0	37	-1.0	-51.63	304.42	3.97	-47.66
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)N=C1	REAL300007578662	0	37	-1.0	-51.33	303.97	2.40	-48.93
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2CCCN12	REAL300007578663	0	38	-1.0	-56.52	306.73	4.66	-51.86
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007578664	0	42	-1.0	-44.65	334.52	6.63	-38.02
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007578665	0	41	-1.0	-57.25	323.14	7.12	-50.13
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300007578666	0	44	-1.0	-46.25	365.74	7.39	-38.86
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007578667	0	42	-1.0	-46.46	354.64	7.11	-39.35
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300007578668	0	39	-1.0	-49.25	322.66	6.50	-42.75
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300007578669	0	45	-1.0	-58.23	363.62	6.43	-51.80
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007578670	0	36	-1.0	-52.82	310.40	4.79	-48.03
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300007578671	0	42	-1.0	-55.53	328.18	6.13	-49.40
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300007578672	0	43	-1.0	-47.09	347.96	8.90	-38.19
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CS1	REAL300007578673	0	35	-1.0	-47.69	295.83	3.52	-44.17
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300007578674	0	42	-1.0	-46.66	332.45	6.34	-40.32
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007578675	0	39	-1.0	-60.18	309.67	5.68	-54.50
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007578676	0	39	-1.0	-49.67	329.04	5.64	-44.03
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007578677	0	39	-1.0	-54.44	314.18	5.16	-49.28
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007578678	0	40	-1.0	-40.88	344.01	8.10	-32.78
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007578679	0	46	-1.0	-45.81	354.88	6.58	-39.23
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007578680	0	36	-1.0	-50.18	311.55	4.97	-45.21
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300007578681	0	42	-1.0	-61.61	332.73	5.99	-55.62
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300007578682	0	42	-1.0	-40.58	332.69	7.23	-33.35
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300007578683	0	42	-1.0	-53.77	311.36	7.71	-46.06
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300007578684	0	42	-1.0	-38.01	329.04	7.07	-30.94
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(OC)C=C1	REAL300007578685	0	44	-1.0	-43.50	356.78	6.87	-36.63
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=CC(OC)=C1	REAL300007578686	0	37	-1.0	-45.06	308.08	3.06	-42.00
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007578687	0	43	-1.0	-43.49	356.62	7.24	-36.25
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007578688	0	41	-1.0	-44.66	332.69	7.70	-36.96
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300007578689	0	42	-1.0	-55.51	335.70	4.33	-51.18
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC1CCCCC1	REAL300007578690	0	46	-1.0	-41.55	347.97	7.25	-34.30
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(C)C=C1	REAL300007578691	0	43	-1.0	-42.70	348.68	8.25	-34.45
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300007578692	0	40	-1.0	-52.47	313.65	4.36	-48.11
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007578693	0	37	-1.0	-59.57	301.96	6.08	-53.49
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300007578694	0	38	-1.0	-51.02	323.97	5.17	-45.85
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007578695	0	40	-1.0	-58.50	326.65	6.65	-51.85
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300007578696	0	42	-1.0	-54.28	331.18	7.07	-47.21
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300007578697	0	39	-1.0	-46.15	325.18	3.60	-42.55
CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1CC	REAL300007578698	0	46	-1.0	-54.60	355.50	7.88	-46.72
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300007578699	0	42	-1.0	-39.20	314.09	6.92	-32.28
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300007578700	0	44	-1.0	-46.92	340.08	7.15	-39.77
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)S1	REAL300007578701	0	37	-1.0	-54.40	311.90	5.77	-48.63
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007578702	0	35	-1.0	-49.41	298.45	3.32	-46.09
CCC1=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)S1	REAL300007578703	0	36	-1.0	-44.06	312.77	4.62	-39.44
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300007578704	0	41	-1.0	-54.98	325.56	5.54	-49.44
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)S1	REAL300007578705	0	37	-1.0	-42.47	308.74	6.11	-36.36
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007578706	0	40	-1.0	-65.39	318.88	6.93	-58.46
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007578707	0	37	-1.0	-46.48	305.45	4.57	-41.91
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300007578708	0	40	-1.0	-50.77	325.39	6.65	-44.12
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007578709	0	41	-1.0	-46.03	339.47	5.36	-40.67
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007578710	0	47	-1.0	-41.81	382.80	7.63	-34.18
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007578711	0	38	-1.0	-53.95	306.79	5.23	-48.72
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007578712	0	36	-1.0	-62.31	304.62	5.61	-56.70
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CSC(C)=N1	REAL300007578713	0	36	-1.0	-60.26	309.06	3.80	-56.46
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007578714	0	37	-1.0	-56.16	319.20	6.64	-49.52
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300007578715	0	37	-1.0	-41.50	318.94	6.69	-34.81
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007578716	0	40	-1.0	-63.68	326.48	6.30	-57.38
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300007578717	0	43	-1.0	-54.10	362.95	7.20	-46.90
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007578718	0	42	-1.0	-48.26	325.24	6.73	-41.53
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007578719	0	41	-1.0	-60.74	343.49	3.18	-57.56
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007578720	0	43	-1.0	-46.86	328.15	6.36	-40.50
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007578721	0	37	-1.0	-54.94	320.17	7.08	-47.86
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1	REAL300007578722	0	59	-1.0	-52.95	457.12	10.66	-42.29
CCC(C)OC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)CC)=C1	REAL300007578723	0	47	-1.0	-49.47	371.66	7.65	-41.82
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCCC1	REAL300007578724	0	47	-1.0	-43.66	359.82	5.90	-37.76
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCCCC1	REAL300007578725	0	50	-1.0	-44.97	373.61	6.60	-38.37
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007578726	0	48	-1.0	-48.47	400.94	8.94	-39.53
CCOC(CS(=O)(=O)N(CC(=O)[O-])C(C)CC)C1CC1	REAL300007578727	0	44	-1.0	-57.31	343.35	6.21	-51.10
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1C(C)C	REAL300007578728	0	53	-1.0	-44.11	414.94	8.63	-35.48
CCC1=NC(S(=O)(=O)N(CC(=O)[O-])C(C)CC)=CN1CC1CC1	REAL300007578729	0	47	-1.0	-57.78	374.96	7.28	-50.50
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007578730	0	37	-1.0	-52.56	317.34	5.27	-47.29
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300007578731	0	42	-1.0	-52.74	328.75	7.50	-45.24
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007578732	0	41	-1.0	-49.40	322.17	5.25	-44.15
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007578733	0	47	-1.0	-44.04	382.28	7.84	-36.20
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007578734	0	37	-1.0	-45.38	316.71	3.78	-41.60
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007578735	0	45	-1.0	-43.49	381.93	10.05	-33.44
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007578736	0	44	-1.0	-59.90	339.89	8.53	-51.37
CCC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)CC)=C(C)C=C1OC	REAL300007578737	0	47	-1.0	-52.28	351.45	6.71	-45.57
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007578738	0	40	-1.0	-49.92	348.00	7.59	-42.33
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007578739	0	36	-1.0	-64.97	303.93	4.80	-60.17
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300007578740	0	43	-1.0	-44.24	311.07	7.77	-36.47
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300007578741	0	43	-1.0	-49.99	345.91	4.20	-45.79
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300007578742	0	38	-1.0	-44.82	303.33	6.36	-38.46
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1C(C)C	REAL300007578743	0	50	-1.0	-44.40	393.44	7.83	-36.57
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007578744	0	46	-1.0	-50.83	356.67	7.57	-43.26
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007578745	0	53	-1.0	-57.15	404.33	9.92	-47.23
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007578746	0	44	-1.0	-50.50	330.36	5.29	-45.21
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007578747	0	46	-1.0	-44.56	344.74	5.69	-38.87
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007578748	0	44	-1.0	-51.47	344.13	6.01	-45.46
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007578749	0	37	-1.0	-50.85	300.29	3.97	-46.88
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300007578750	0	41	-1.0	-57.87	336.04	6.03	-51.84
C=CCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1	REAL300007578751	0	44	-1.0	-53.56	353.94	8.50	-45.06
CCC1=NN(C)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)CC	REAL300007578752	0	40	-1.0	-47.21	315.26	4.17	-43.04
CCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1C(C)C	REAL300007578753	0	56	-1.0	-45.46	436.43	9.42	-36.04
CCC(C)N(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007578754	0	38	-1.0	-52.52	329.37	7.69	-44.83
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1C(C)(C)C	REAL300007578755	0	56	-1.0	-44.32	427.48	9.30	-35.02
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1CC	REAL300007578756	0	50	-1.0	-45.38	398.01	8.11	-37.27
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300007578757	0	40	-1.0	-38.86	300.48	6.67	-32.19
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300007578758	0	40	-1.0	-55.90	339.56	7.30	-48.60
CCC(C)N(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007578759	0	38	-1.0	-54.34	328.08	7.09	-47.25
CCCC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)CC	REAL300007578760	0	43	-1.0	-42.17	327.60	7.65	-34.52
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CN=C1OC	REAL300007578761	0	37	-1.0	-57.47	300.83	2.60	-54.87
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300007578762	0	50	-1.0	-49.18	399.16	8.37	-40.81
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007578763	0	39	-1.0	-44.87	295.37	5.16	-39.71
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)SC=C1C	REAL300007578764	0	37	-1.0	-40.88	300.33	6.07	-34.81
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007578765	0	41	-1.0	-48.15	333.79	5.27	-42.88
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007578766	0	41	-1.0	-51.39	326.83	5.13	-46.26
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007578767	0	44	-1.0	-52.13	348.47	5.94	-46.19
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007578768	0	45	-1.0	-57.47	353.38	3.42	-54.05
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007578769	0	40	-1.0	-47.19	349.52	6.94	-40.25
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300007578770	0	41	-1.0	-51.86	314.55	5.54	-46.32
CCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C=C1C(C)C	REAL300007578771	0	59	-1.0	-43.97	457.93	10.20	-33.77
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300007578772	0	50	-1.0	-45.14	374.27	7.63	-37.51
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300007578773	0	44	-1.0	-56.89	344.96	7.15	-49.74
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300007578774	0	42	-1.0	-60.97	329.65	6.41	-54.56
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007578775	0	42	-1.0	-52.08	346.30	5.01	-47.07
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007578776	0	40	-1.0	-45.95	313.95	5.49	-40.46
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300007578777	0	39	-1.0	-64.60	313.87	4.63	-59.97
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007578778	0	38	-1.0	-47.23	328.60	5.83	-41.40
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007578779	0	35	-1.0	-49.63	293.14	4.09	-45.54
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007578780	0	37	-1.0	-55.18	317.59	6.81	-48.37
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007578781	0	41	-1.0	-45.91	334.67	5.34	-40.57
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300007578782	0	43	-1.0	-52.66	322.02	7.37	-45.29
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300007578783	0	42	-1.0	-48.47	326.30	5.98	-42.49
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=COC2=CC=CC=C12	REAL300007578784	0	37	-1.0	-46.61	307.87	5.68	-40.93
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007578785	0	47	-1.0	-55.80	359.98	5.97	-49.83
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300007578786	0	46	-1.0	-48.90	360.26	6.07	-42.83
CCCCN1C=C(S(=O)(=O)N(CC(=O)[O-])C(C)CC)C(C)=N1	REAL300007578787	0	46	-1.0	-54.37	359.30	6.24	-48.13
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007578788	0	41	-1.0	-55.49	326.82	5.36	-50.13
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007578789	0	38	-1.0	-55.29	316.02	5.31	-49.98
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007578790	0	39	-1.0	-70.16	319.05	4.37	-65.79
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300007578791	0	40	-1.0	-39.47	324.59	7.11	-32.36
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007578792	0	40	-1.0	-42.95	347.83	6.59	-36.36
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007578793	0	44	-1.0	-54.32	344.35	5.43	-48.89
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300007578794	0	52	-1.0	-45.56	386.05	9.66	-35.90
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007578795	0	40	-1.0	-44.30	352.05	7.87	-36.43
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007578796	0	44	-1.0	-52.12	349.87	6.30	-45.82
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007578797	0	38	-1.0	-43.83	311.44	6.48	-37.35
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007578798	0	45	-1.0	-57.93	368.74	8.60	-49.33
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300007578799	0	43	-1.0	-55.93	348.88	6.78	-49.15
CCCC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)CC)=C1	REAL300007578800	0	43	-1.0	-45.00	345.22	8.21	-36.79
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007578801	0	41	-1.0	-46.54	326.79	5.02	-41.52
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007578802	0	43	-1.0	-52.63	326.46	5.44	-47.19
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007578803	0	43	-1.0	-52.08	341.20	5.38	-46.70
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007578804	0	41	-1.0	-54.43	322.92	4.23	-50.20
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300007578805	0	39	-1.0	-43.69	334.42	5.41	-38.28
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007578806	0	37	-1.0	-48.24	321.91	6.79	-41.45
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)CC)=C1	REAL300007578807	0	45	-1.0	-55.63	365.39	8.03	-47.60
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007578808	0	45	-1.0	-45.38	346.72	8.89	-36.49
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007578809	0	40	-1.0	-42.48	341.32	6.53	-35.95
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007578810	0	41	-1.0	-48.20	335.06	4.43	-43.77
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007578811	0	34	-1.0	-41.71	294.19	5.59	-36.12
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007578812	0	41	-1.0	-54.98	327.67	7.42	-47.56
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(OC)SC=C1	REAL300007578813	0	35	-1.0	-56.61	298.78	3.96	-52.65
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007578814	0	44	-1.0	-51.35	344.39	5.86	-45.49
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)CC	REAL300007578815	0	43	-1.0	-49.41	336.91	5.30	-44.11
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007578816	0	48	-1.0	-54.24	371.05	4.47	-49.77
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007578817	0	40	-1.0	-48.02	334.05	7.52	-40.50
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007578818	0	38	-1.0	-46.79	320.07	5.58	-41.21
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)S1	REAL300007578819	0	35	-1.0	-42.84	307.42	4.04	-38.80
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300007578820	0	45	-1.0	-54.65	350.40	7.65	-47.00
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CCF)N=C1	REAL300007578821	0	37	-1.0	-54.51	309.85	4.40	-50.11
CCOCC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)CC)=C1	REAL300007578822	0	44	-1.0	-45.86	357.77	6.68	-39.18
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007578823	0	44	-1.0	-50.02	354.92	6.35	-43.67
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007578824	0	47	-1.0	-53.75	361.54	6.59	-47.16
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007578825	0	45	-1.0	-52.03	364.19	8.58	-43.45
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CF	REAL300007578826	0	37	-1.0	-41.86	294.88	6.14	-35.72
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300007578827	0	40	-1.0	-51.16	336.07	7.06	-44.10
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300007578828	0	43	-1.0	-56.86	333.22	7.90	-48.96
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007578829	0	44	-1.0	-48.84	352.80	6.58	-42.26
CCC(C)N(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007578830	0	38	-1.0	-41.40	324.11	7.41	-33.99
CCC(C)N(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007578831	0	38	-1.0	-52.47	333.93	7.78	-44.69
CCC(C)N(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007578832	0	38	-1.0	-41.26	338.99	7.97	-33.29
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007578833	0	39	-1.0	-42.38	325.13	-0.48	-42.86
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007578834	0	37	-1.0	-52.55	303.10	5.65	-46.90
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1CCC(F)(F)CC1	REAL300007578835	0	40	-1.0	-58.40	310.39	5.60	-52.80
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007578836	0	36	-1.0	-53.52	309.32	4.71	-48.81
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCOC1CCOC1	REAL300007578837	0	42	-1.0	-45.94	336.77	2.77	-43.17
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300007578838	0	43	-1.0	-58.53	347.79	4.31	-54.22
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007578839	0	51	-1.0	-58.40	355.72	8.29	-50.11
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1CC(C)(C)CO1	REAL300007578840	0	44	-1.0	-59.49	338.28	5.09	-54.40
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007578841	0	37	-1.0	-64.19	309.70	1.08	-63.11
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007578842	0	42	-1.0	-53.38	317.22	6.31	-47.07
CCC(C)N(CC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300007578843	0	42	-1.0	-65.60	349.20	2.22	-63.38
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007578844	0	47	-1.0	-57.27	351.97	6.20	-51.07
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007578845	0	44	-1.0	-55.81	349.24	7.70	-48.11
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007578846	0	38	-1.0	-63.33	326.69	4.44	-58.89
CCC(C)N(CC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007578847	0	44	-1.0	-44.30	365.24	8.49	-35.81
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007578848	0	43	-1.0	-41.72	336.06	3.50	-38.22
CCC(C)N(CC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007578849	0	47	-1.0	-41.48	350.33	8.15	-33.33
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007578850	0	38	-1.0	-43.47	326.28	7.35	-36.12
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007578851	0	56	-1.0	-46.29	413.06	9.75	-36.54
CCC(C)N(CC(=O)[O-])S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300007578852	0	45	-1.0	-42.50	342.36	6.09	-36.41
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300007578853	0	39	-1.0	-57.74	331.77	3.41	-54.33
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007578854	0	38	-1.0	-53.54	324.61	6.34	-47.20
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007578855	0	38	-1.0	-43.20	328.96	5.24	-37.96
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007578856	0	40	-1.0	-46.59	317.71	5.59	-41.00
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007578857	0	41	-1.0	-58.30	330.29	7.49	-50.81
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007578858	0	43	-1.0	-52.19	355.68	6.22	-45.97
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300007578859	0	47	-1.0	-47.99	375.32	7.97	-40.02
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007578860	0	45	-1.0	-43.96	368.60	8.76	-35.20
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007578861	0	40	-1.0	-50.92	310.54	7.02	-43.90
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007578862	0	35	-1.0	-56.85	318.21	4.28	-52.57
C=C(C)COC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)CC)=C1	REAL300007578863	0	45	-1.0	-49.62	364.49	7.62	-42.00
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300007578864	0	44	-1.0	-55.39	348.36	6.20	-49.19
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300007578865	0	38	-1.0	-63.33	314.25	4.53	-58.80
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007578866	0	40	-1.0	-43.09	343.33	8.75	-34.34
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007578867	0	44	-1.0	-52.47	367.93	9.71	-42.76
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007578868	0	33	-1.0	-49.87	306.72	4.25	-45.62
CCC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)CC)=CC=C1Br	REAL300007578869	0	40	-1.0	-50.95	337.49	7.19	-43.76
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300007578870	0	47	-1.0	-50.31	360.83	6.76	-43.55
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CS1	REAL300007578871	0	31	-1.0	-40.77	291.34	5.54	-35.23
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300007578872	0	48	-1.0	-51.62	369.20	6.67	-44.95
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007578873	0	40	-1.0	-46.09	330.80	7.93	-38.16
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007578874	0	42	-1.0	-49.69	327.37	3.19	-46.50
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007578875	0	41	-1.0	-42.69	315.05	7.19	-35.50
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007578876	0	49	-1.0	-53.31	377.94	6.15	-47.16
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300007578877	0	37	-1.0	-51.20	316.93	3.20	-48.00
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300007578878	0	40	-1.0	-44.98	330.80	3.00	-41.98
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300007578879	0	43	-1.0	-54.99	338.83	5.81	-49.18
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300007578880	0	43	-1.0	-46.90	334.58	4.83	-42.07
CCC(C)N(CC(=O)[O-])S(=O)(=O)CC1=NOC(COC)=C1	REAL300007578881	0	40	-1.0	-57.89	333.03	3.29	-54.60
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)C	REAL300007578882	0	40	-1.0	-43.85	321.55	4.72	-39.13
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007578883	0	41	-1.0	-49.61	326.02	5.43	-44.18
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007578884	0	41	-1.0	-51.24	331.67	6.90	-44.34
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300007578885	0	43	-1.0	-49.00	337.26	5.17	-43.83
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300007578886	0	48	-1.0	-53.34	384.89	9.31	-44.03
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300007578887	0	41	-1.0	-41.65	323.36	5.73	-35.92
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300007578888	0	40	-1.0	-51.10	339.10	3.68	-47.42
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300007578889	0	42	-1.0	-54.34	327.56	7.70	-46.64
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007578890	0	38	-1.0	-47.05	299.71	5.71	-41.34
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007578891	0	41	-1.0	-46.89	346.28	6.22	-40.67
CCC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300007578892	0	47	-1.0	-59.47	360.02	7.76	-51.71
CCCN(C1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007578893	0	39	-1.0	-55.84	324.20	5.89	-49.95
CCCN(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007578894	0	35	-1.0	-58.51	305.78	7.49	-51.02
CCCN(C1CC1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007578895	0	39	-1.0	-47.39	330.36	6.23	-41.16
CCCN(C1CC1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300007578896	0	39	-1.0	-44.52	337.08	6.95	-37.57
CCCN(C1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300007578897	0	41	-1.0	-57.48	323.85	6.85	-50.63
CCCN(C1CC1)S(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007578898	0	42	-1.0	-53.65	356.68	5.74	-47.91
CCCN(C1CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007578899	0	38	-1.0	-56.13	328.11	7.97	-48.16
CCCN(C1CC1)S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007578900	0	38	-1.0	-54.25	318.26	7.87	-46.38
CCCN(C1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300007578901	0	40	-1.0	-41.73	339.89	7.07	-34.66
CCCN(C1CC1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007578902	0	35	-1.0	-46.80	318.32	6.55	-40.25
CCCN(C1CC1)S(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300007578903	0	35	-1.0	-46.79	322.89	6.66	-40.13
CCCN(C1CC1)S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300007578904	0	39	-1.0	-57.84	326.58	6.02	-51.82
CCCN(C1CC1)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007578905	0	40	-1.0	-51.86	328.36	6.06	-45.80
CCCN(C1CC1)S(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007578906	0	42	-1.0	-53.65	356.68	5.74	-47.91
CCCN(C1CC1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007578907	0	35	-1.0	-46.80	318.32	6.55	-40.25
CCCN(C1CC1)S(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300007578908	0	35	-1.0	-52.77	293.82	6.13	-46.64
CCCN(C1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300007578909	0	38	-1.0	-50.25	321.52	6.78	-43.47
CCCN(C1CC1)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300007578910	0	41	-1.0	-50.28	348.56	7.38	-42.90
CCCN(C1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007578911	0	39	-1.0	-55.84	324.20	5.89	-49.95
CCCN(C1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300007578912	0	39	-1.0	-46.17	332.29	6.04	-40.13
CCCN(C1CC1)S(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300007578913	0	36	-1.0	-46.68	322.16	5.24	-41.44
CCCN(C1CC1)S(=O)(=O)C1=CC(Br)=C(C)C(C(=O)[O-])=C1	REAL300007578914	0	38	-1.0	-46.26	335.48	7.09	-39.17
CCCN(C1CC1)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007578915	0	40	-1.0	-48.27	338.41	6.71	-41.56
CCCN(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007578916	0	38	-1.0	-46.40	331.71	6.86	-39.54
CCCN(C1CC1)S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007578917	0	42	-1.0	-52.35	346.41	7.87	-44.48
CCCN(C1CC1)S(=O)(=O)C1=C(CC)OC(C(=O)[O-])=C1	REAL300007578918	0	38	-1.0	-52.43	319.04	5.58	-46.85
CCCN(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007578919	0	37	-1.0	-60.71	321.36	7.86	-52.85
CCCN(C1CC1)S(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007578920	0	38	-1.0	-49.94	339.46	7.53	-42.41
CCCN(C1CC1)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007578921	0	37	-1.0	-51.44	317.18	7.64	-43.80
CCCN(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300007578922	0	39	-1.0	-48.17	323.97	5.92	-42.25
CCCN(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007578923	0	39	-1.0	-53.26	328.86	6.12	-47.14
CCCN(C1CC1)S(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300007578924	0	42	-1.0	-65.28	344.82	6.37	-58.91
CCCN(C1CC1)S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007578925	0	38	-1.0	-50.32	329.18	6.85	-43.47
CCCN(C1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007578926	0	38	-1.0	-45.62	340.65	7.04	-38.58
CCCN(C1CC1)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007578927	0	44	-1.0	-49.84	354.20	7.62	-42.22
CCCN(C1CC1)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007578928	0	41	-1.0	-50.34	331.60	7.81	-42.53
CCCN(C1CC1)S(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300007578929	0	35	-1.0	-58.58	310.35	7.59	-50.99
CCCN(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007578930	0	35	-1.0	-50.34	314.10	6.44	-43.90
CCCN(C1CC1)S(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300007578931	0	39	-1.0	-63.42	318.44	6.28	-57.14
CCCN(C1CC1)S(=O)(=O)C1=CC(C=CC(=O)[O-])=CC(OC)=C1OC	REAL300007578932	0	47	-1.0	-49.84	386.92	7.11	-42.73
CCCN(C1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300007578934	0	42	-1.0	-53.69	339.36	5.62	-48.07
CCCN(C1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007578935	0	32	-1.0	-45.93	299.43	4.62	-41.31
CCCN(C1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007578936	0	41	-1.0	-50.91	331.21	7.81	-43.10
CCCN(C1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OCC	REAL300007578937	0	42	-1.0	-55.52	345.10	6.78	-48.74
CCCN(C1CC1)S(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300007578938	0	39	-1.0	-68.47	322.56	6.49	-61.98
CCCN(C1CC1)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007578939	0	41	-1.0	-50.84	347.49	8.31	-42.53
CCCN(C1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300007578940	0	35	-1.0	-49.21	311.67	5.72	-43.49
CCCN(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007578941	0	41	-1.0	-70.98	337.49	9.28	-61.70
CCCN(C1CC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007578942	0	38	-1.0	-42.97	325.14	7.30	-35.67
CCCN(C1CC1)S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007578943	0	35	-1.0	-47.29	331.31	6.63	-40.66
CCCN(C1CC1)S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007578944	0	38	-1.0	-61.84	329.50	4.64	-57.20
CCCN(C1CC1)S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007578945	0	38	-1.0	-44.83	329.05	7.31	-37.52
CCCN(C1CC1)S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007578946	0	32	-1.0	-55.12	304.55	6.38	-48.74
CCCN(C1CC1)S(=O)(=O)C1=CC=C(OCC)C(C(=O)[O-])=C1	REAL300007578947	0	42	-1.0	-58.40	350.73	7.02	-51.38
CCCN(C1CC1)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007578948	0	42	-1.0	-48.89	346.68	7.92	-40.97
CCCN(C1CC1)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007578949	0	40	-1.0	-53.94	343.34	6.43	-47.51
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC2=CC=CC=C21	REAL300007578950	0	41	-1.0	-50.28	350.21	7.84	-42.44
CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007578951	0	41	-1.0	-55.38	352.90	7.91	-47.47
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=CC2=CC=CC=C21	REAL300007578952	0	44	-1.0	-59.12	369.19	8.88	-50.24
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)C1=CC=CC2=CC=CC=C21	REAL300007578953	0	45	-1.0	-56.54	382.19	7.77	-48.77
CC1=CC=C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007578954	0	44	-1.0	-56.58	372.72	8.56	-48.02
CC(NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=CC2=CC=CC=C21	REAL300007578955	0	38	-1.0	-49.48	334.68	7.65	-41.83
CC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007578956	0	41	-1.0	-55.38	352.90	7.91	-47.47
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC2=CC=CC=C21	REAL300007578957	0	41	-1.0	-50.28	350.21	7.84	-42.44
CC(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007578958	0	41	-1.0	-51.86	342.51	8.78	-43.08
CC(NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007578959	0	39	-1.0	-52.49	338.87	5.54	-46.95
CC(NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=CC2=CC=CC=C21	REAL300007578960	0	41	-1.0	-51.10	354.91	5.94	-45.16
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=CC2=CC=CC=C21	REAL300007578961	0	38	-1.0	-49.88	345.72	7.07	-42.81
CC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007578962	0	38	-1.0	-54.29	327.24	4.92	-49.37
CC(NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC2=CC=CC=C21	REAL300007578963	0	46	-1.0	-52.76	372.71	7.09	-45.67
CC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC2=CC=CC=C21	REAL300007578964	0	46	-1.0	-53.30	366.73	7.11	-46.19
CC(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007578965	0	41	-1.0	-51.86	342.51	8.78	-43.08
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007578966	0	41	-1.0	-45.92	359.22	9.30	-36.62
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CC2=CC=CC=C21	REAL300007578967	0	38	-1.0	-51.80	336.04	6.30	-45.50
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)O1	REAL300007578968	0	41	-1.0	-52.04	357.09	6.79	-45.25
CC(NS(=O)(=O)CCCC(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007578969	0	40	-1.0	-53.91	335.51	6.47	-47.44
CC(NS(=O)(=O)N1CCCC1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007578970	0	43	-1.0	-61.06	349.49	7.10	-53.96
CC(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC2=CC=CC=C21	REAL300007578971	0	44	-1.0	-57.50	376.21	8.64	-48.86
CC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC2=CC=CC=C21	REAL300007578972	0	46	-1.0	-53.30	366.73	7.11	-46.19
CC(NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007578973	0	44	-1.0	-59.04	376.22	8.62	-50.42
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CC2=CC=CC=C21	REAL300007578974	0	38	-1.0	-51.80	336.04	6.30	-45.50
CC(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC2=CC=CC=C21	REAL300007578975	0	45	-1.0	-50.17	381.30	8.12	-42.05
CC(NS(=O)(=O)CCCC(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007578976	0	40	-1.0	-53.91	335.51	6.47	-47.44
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=CC2=CC=CC=C21	REAL300007578977	0	38	-1.0	-51.69	346.77	6.96	-44.73
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)=C1C	REAL300007578978	0	47	-1.0	-60.68	386.44	9.42	-51.26
CC1=CC=CC(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)=C1C(=O)[O-]	REAL300007578979	0	44	-1.0	-56.01	369.71	8.96	-47.05
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)=C1	REAL300007578980	0	48	-1.0	-55.38	405.34	7.55	-47.83
CC(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007578981	0	38	-1.0	-53.59	344.86	6.95	-46.64
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC(C)C1=CC=CC2=CC=CC=C21	REAL300007578982	0	44	-1.0	-50.51	360.12	8.61	-41.90
CC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=CC=CC2=CC=CC=C21	REAL300007578983	0	44	-1.0	-50.48	372.40	8.62	-41.86
CC(NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=CC2=CC=CC=C21	REAL300007578984	0	38	-1.0	-50.58	336.26	6.02	-44.56
CC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007578985	0	44	-1.0	-53.53	375.08	8.69	-44.84
CC1=C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)C=C(C(=O)[O-])O1	REAL300007578986	0	41	-1.0	-55.08	355.29	6.98	-48.10
CC(NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007578987	0	40	-1.0	-48.28	345.46	6.00	-42.28
CC(NS(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007578988	0	37	-1.0	-53.50	330.87	6.17	-47.33
CC(NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=CC2=CC=CC=C21	REAL300007578989	0	37	-1.0	-61.74	329.68	5.48	-56.26
CC(NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007578990	0	40	-1.0	-55.52	338.70	6.85	-48.67
CC(NS(=O)(=O)CCCCCC(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007578991	0	46	-1.0	-55.28	378.51	8.03	-47.25
CC(NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=CC2=CC=CC=C21	REAL300007578992	0	40	-1.0	-53.08	348.82	6.11	-46.97
CC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007578993	0	41	-1.0	-48.83	367.00	8.36	-40.47
COC1=CC=C(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)C=C1C(=O)[O-]	REAL300007578994	0	45	-1.0	-61.15	380.17	7.98	-53.17
CC1=CC(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300007578995	0	44	-1.0	-50.22	368.06	8.48	-41.74
CC(NS(=O)(=O)N(C)CCC(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300007578996	0	42	-1.0	-50.45	348.39	6.19	-44.26
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)C2=CC=CC3=CC=CC=C32)=C1	REAL300007578997	0	48	-1.0	-55.38	405.34	7.55	-47.83
CC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=CC2=CC=CC=C21	REAL300007578998	0	41	-1.0	-48.83	367.00	8.36	-40.47
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC(C)C1=CC=CC2=CC=CC=C21	REAL300007578999	0	41	-1.0	-51.82	352.02	8.49	-43.33
CC(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC2=CC=CC=C21	REAL300007579000	0	44	-1.0	-57.50	376.21	8.64	-48.86
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579105	0	36	-1.0	-52.24	302.90	4.93	-47.31
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579106	0	43	-1.0	-53.14	350.48	5.38	-47.76
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007579107	0	43	-1.0	-53.44	365.95	1.96	-51.48
O=C([O-])C1CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007579108	0	50	-1.0	-48.20	356.80	6.47	-41.73
CC1=NC2=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300007579109	0	40	-1.0	-56.91	330.80	6.45	-50.46
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007579110	0	40	-1.0	-52.75	338.18	6.86	-45.89
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007579111	0	43	-1.0	-51.68	350.53	3.52	-48.16
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579112	0	46	-1.0	-52.53	390.26	6.17	-46.36
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579113	0	46	-1.0	-52.75	381.87	6.15	-46.60
CCCN1C=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579114	0	38	-1.0	-53.19	321.58	5.75	-47.44
COCCOCCOCCS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579115	0	46	-1.0	-54.73	381.89	2.31	-52.42
CC(COC1CCCC1)CS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579116	0	48	-1.0	-51.73	373.98	6.38	-45.35
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579117	0	39	-1.0	-48.74	341.49	5.29	-43.45
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007579118	0	40	-1.0	-48.34	331.41	2.72	-45.62
COC1=CC(Br)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579119	0	36	-1.0	-48.57	324.17	4.88	-43.69
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007579120	0	36	-1.0	-51.84	313.65	5.14	-46.70
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007579121	0	38	-1.0	-49.73	328.46	5.72	-44.01
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579122	0	38	-1.0	-47.24	315.62	6.28	-40.96
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579123	0	38	-1.0	-44.24	316.44	6.33	-37.91
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007579124	0	38	-1.0	-46.97	328.53	6.51	-40.46
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579125	0	41	-1.0	-50.93	321.27	6.89	-44.04
O=C([O-])C1CCCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300007579126	0	44	-1.0	-50.33	347.10	1.95	-48.38
CCOC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579127	0	39	-1.0	-48.65	325.48	5.21	-43.44
COCCN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007579128	0	39	-1.0	-52.42	333.12	2.59	-49.83
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300007579129	0	39	-1.0	-51.40	338.46	5.54	-45.86
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1C	REAL300007579130	0	59	-1.0	-52.19	458.86	9.47	-42.72
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007579131	0	40	-1.0	-53.30	346.89	7.15	-46.15
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300007579132	0	37	-1.0	-54.17	315.27	5.37	-48.80
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300007579133	0	35	-1.0	-49.29	318.46	6.32	-42.97
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300007579134	0	35	-1.0	-52.38	314.51	6.31	-46.07
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300007579135	0	39	-1.0	-60.94	337.54	2.84	-58.10
CC1=CC(Br)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579136	0	35	-1.0	-46.30	316.08	6.24	-40.06
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579137	0	35	-1.0	-48.13	295.21	5.81	-42.32
COCC1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579138	0	39	-1.0	-48.53	310.27	4.52	-44.01
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300007579139	0	36	-1.0	-47.40	324.01	4.96	-42.44
COC1=CC(OC)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007579140	0	40	-1.0	-52.89	341.98	4.73	-48.16
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300007579141	0	35	-1.0	-55.74	317.33	4.05	-51.69
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300007579142	0	35	-1.0	-52.65	312.45	3.83	-48.82
CC1(C)CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300007579143	0	43	-1.0	-50.16	350.79	6.21	-43.95
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300007579144	0	35	-1.0	-58.11	307.72	3.95	-54.16
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579145	0	43	-1.0	-57.37	346.33	3.69	-53.68
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579146	0	44	-1.0	-55.70	377.77	4.21	-51.49
CSC1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579147	0	36	-1.0	-52.34	302.43	5.70	-46.64
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300007579148	0	40	-1.0	-53.01	353.06	1.77	-51.24
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579149	0	46	-1.0	-53.39	393.25	2.78	-50.61
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579150	0	43	-1.0	-63.03	352.39	4.57	-58.46
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300007579151	0	43	-1.0	-52.40	374.52	2.66	-49.74
CCC1=CC=C(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579152	0	41	-1.0	-50.60	340.06	7.14	-43.46
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300007579153	0	35	-1.0	-50.27	308.43	5.58	-44.69
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300007579154	0	47	-1.0	-54.84	386.69	5.42	-49.42
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300007579155	0	44	-1.0	-51.14	361.88	4.61	-46.53
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579156	0	41	-1.0	-54.05	356.27	3.41	-50.64
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579157	0	42	-1.0	-63.03	357.21	2.38	-60.65
CC1=CC=C(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007579158	0	41	-1.0	-51.32	335.58	6.91	-44.41
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Br	REAL300007579159	0	39	-1.0	-46.70	345.85	5.89	-40.81
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007579160	0	46	-1.0	-53.74	382.29	8.06	-45.68
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300007579161	0	36	-1.0	-51.50	323.98	5.59	-45.91
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579162	0	39	-1.0	-51.97	343.98	5.60	-46.37
CC1(C)CN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)CCO1	REAL300007579163	0	41	-1.0	-48.38	319.55	3.20	-45.18
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2S1	REAL300007579164	0	46	-1.0	-49.87	386.36	6.92	-42.95
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579165	0	39	-1.0	-51.78	335.99	6.04	-45.74
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C21	REAL300007579166	0	44	-1.0	-51.40	364.10	6.52	-44.88
CCS(=O)(=O)NCCS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579167	0	39	-1.0	-59.96	337.26	-0.26	-60.22
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300007579168	0	38	-1.0	-49.43	330.87	6.12	-43.31
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300007579169	0	35	-1.0	-49.21	329.01	6.90	-42.31
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300007579170	0	38	-1.0	-47.46	336.88	7.74	-39.72
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300007579171	0	35	-1.0	-51.63	320.44	6.62	-45.01
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300007579172	0	38	-1.0	-53.56	325.50	7.83	-45.73
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300007579173	0	38	-1.0	-50.19	335.07	6.78	-43.41
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300007579174	0	43	-1.0	-51.34	355.32	6.35	-44.99
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300007579175	0	46	-1.0	-50.78	383.35	8.43	-42.35
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579176	0	45	-1.0	-56.63	380.63	6.52	-50.11
O=C([O-])C1CCCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300007579177	0	43	-1.0	-58.41	373.41	2.06	-56.35
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300007579178	0	41	-1.0	-49.00	340.38	7.86	-41.14
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1N(C)C	REAL300007579179	0	43	-1.0	-48.00	348.70	5.65	-42.35
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300007579180	0	38	-1.0	-52.01	334.82	6.93	-45.08
O=C([O-])C1CCCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300007579181	0	37	-1.0	-51.11	309.94	1.90	-49.21
O=C([O-])C1CCCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300007579182	0	45	-1.0	-49.86	358.16	5.46	-44.40
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007579183	0	39	-1.0	-51.50	323.33	5.15	-46.35
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579184	0	41	-1.0	-56.28	357.88	3.22	-53.06
CSC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007579185	0	36	-1.0	-46.61	329.31	6.47	-40.14
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579186	0	44	-1.0	-47.92	346.32	5.31	-42.61
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300007579187	0	40	-1.0	-47.75	344.50	3.52	-44.23
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C12	REAL300007579188	0	39	-1.0	-53.08	334.62	2.67	-50.41
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300007579189	0	43	-1.0	-52.49	369.92	4.78	-47.71
CN1N=CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CN=C21	REAL300007579190	0	37	-1.0	-50.22	317.29	4.11	-46.11
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300007579191	0	38	-1.0	-48.37	341.29	7.88	-40.49
CCC1=CC(CC)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(CC)=C1	REAL300007579192	0	50	-1.0	-47.20	365.52	8.91	-38.29
O=C([O-])C1CCCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300007579193	0	39	-1.0	-51.63	319.13	5.00	-46.63
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300007579194	0	38	-1.0	-47.28	341.99	3.05	-44.23
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300007579195	0	41	-1.0	-58.90	333.57	8.66	-50.24
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1F	REAL300007579196	0	39	-1.0	-51.16	311.70	4.63	-46.53
CC1(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)CCCCC1	REAL300007579197	0	44	-1.0	-48.56	323.25	6.47	-42.09
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300007579198	0	41	-1.0	-50.88	334.43	6.45	-44.43
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300007579200	0	40	-1.0	-50.43	342.38	6.27	-44.16
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579201	0	39	-1.0	-47.36	345.17	5.19	-42.17
CC1=CC=C(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300007579202	0	38	-1.0	-54.61	324.61	6.46	-48.15
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300007579204	0	32	-1.0	-44.53	306.66	5.19	-39.34
O=C([O-])C1CCCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300007579205	0	45	-1.0	-51.17	362.16	8.28	-42.89
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)=NO1	REAL300007579206	0	43	-1.0	-50.05	356.01	5.76	-44.29
O=C([O-])C1CCCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300007579207	0	41	-1.0	-55.73	334.57	2.15	-53.58
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007579208	0	35	-1.0	-47.57	310.27	5.47	-42.10
CC1=C(CCS(=O)(=O)N2CCCC(C(=O)[O-])C2)SC=N1	REAL300007579209	0	37	-1.0	-51.91	322.18	4.22	-47.69
O=C([O-])C1CCCN(S(=O)(=O)CC23CCC(CC2)C3)C1	REAL300007579210	0	42	-1.0	-51.39	322.21	6.40	-44.99
COC1=CC=C2C=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300007579211	0	44	-1.0	-50.83	358.12	6.70	-44.13
O=C([O-])C1CCCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300007579212	0	45	-1.0	-51.67	331.32	7.06	-44.61
CC(C)(CCS(=O)(=O)N1CCCC(C(=O)[O-])C1)S(C)(=O)=O	REAL300007579213	0	43	-1.0	-58.29	346.66	2.10	-56.19
O=C([O-])C1CCCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300007579214	0	41	-1.0	-49.35	326.45	6.16	-43.19
O=C([O-])C1CCCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300007579215	0	39	-1.0	-52.31	323.61	7.12	-45.19
CCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007579216	0	40	-1.0	-46.38	336.64	6.83	-39.55
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300007579217	0	32	-1.0	-47.10	290.83	5.51	-41.59
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300007579218	0	32	-1.0	-47.01	295.39	5.62	-41.39
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007579219	0	34	-1.0	-47.83	302.32	5.66	-42.17
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300007579220	0	38	-1.0	-51.73	318.88	7.26	-44.47
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300007579221	0	34	-1.0	-46.49	302.35	5.66	-40.83
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579222	0	37	-1.0	-44.33	305.58	5.98	-38.35
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300007579223	0	34	-1.0	-57.50	286.47	6.54	-50.96
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579224	0	39	-1.0	-50.97	339.65	6.40	-44.57
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579225	0	39	-1.0	-48.54	325.45	5.22	-43.32
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1C	REAL300007579226	0	44	-1.0	-48.79	328.48	7.39	-41.40
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300007579227	0	41	-1.0	-48.75	316.15	6.91	-41.84
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579228	0	47	-1.0	-46.86	353.59	7.63	-39.23
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300007579229	0	35	-1.0	-46.03	313.19	6.00	-40.03
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300007579230	0	35	-1.0	-50.91	294.57	6.19	-44.72
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300007579231	0	32	-1.0	-46.33	290.86	5.51	-40.82
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579232	0	37	-1.0	-48.87	314.57	5.40	-43.47
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007579233	0	38	-1.0	-48.14	329.61	5.74	-42.40
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579234	0	44	-1.0	-48.89	350.30	7.32	-41.57
CC(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579235	0	41	-1.0	-48.93	334.32	6.92	-42.01
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579236	0	43	-1.0	-53.28	368.85	3.03	-50.25
CCCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579237	0	41	-1.0	-48.93	338.49	7.21	-41.72
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Br	REAL300007579238	0	36	-1.0	-47.01	324.01	4.96	-42.05
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300007579239	0	35	-1.0	-47.12	313.60	6.18	-40.94
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2)=C1	REAL300007579240	0	46	-1.0	-49.91	384.21	8.50	-41.41
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007579241	0	36	-1.0	-47.93	320.09	4.79	-43.14
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1C	REAL300007579242	0	47	-1.0	-49.28	343.09	7.81	-41.47
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300007579243	0	41	-1.0	-49.57	336.93	4.95	-44.62
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579244	0	48	-1.0	-52.46	372.69	7.18	-45.28
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007579245	0	37	-1.0	-57.67	318.31	6.19	-51.48
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579246	0	36	-1.0	-51.37	317.79	5.48	-45.89
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579247	0	50	-1.0	-48.91	373.19	8.70	-40.21
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300007579248	0	35	-1.0	-47.04	312.84	6.00	-41.04
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300007579249	0	42	-1.0	-49.25	336.84	7.48	-41.77
COC1=CC=C(OC)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579250	0	40	-1.0	-54.52	325.96	4.15	-50.37
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1OC	REAL300007579251	0	40	-1.0	-49.67	332.82	4.20	-45.47
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300007579252	0	39	-1.0	-50.30	318.91	6.87	-43.43
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300007579253	0	40	-1.0	-50.53	327.84	7.40	-43.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300007579254	0	37	-1.0	-50.16	309.30	4.81	-45.35
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579255	0	47	-1.0	-48.95	377.56	8.50	-40.45
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1OCC	REAL300007579256	0	46	-1.0	-49.28	376.53	6.04	-43.24
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579257	0	37	-1.0	-54.54	328.29	-0.05	-54.59
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300007579258	0	40	-1.0	-48.15	336.55	6.79	-41.36
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1C	REAL300007579259	0	40	-1.0	-44.21	322.80	6.48	-37.73
CC1=CC2=CC=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=C2N=C1	REAL300007579260	0	40	-1.0	-54.45	329.47	6.72	-47.73
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300007579261	0	38	-1.0	-54.19	315.90	5.82	-48.37
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579262	0	36	-1.0	-47.57	312.52	5.35	-42.22
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579263	0	37	-1.0	-52.89	328.29	-0.05	-52.94
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300007579264	0	44	-1.0	-52.62	381.96	2.83	-49.79
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579265	0	40	-1.0	-50.02	341.03	6.54	-43.48
O=C([O-])C1CCCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300007579266	0	41	-1.0	-48.39	330.82	6.30	-42.09
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CN=C12	REAL300007579267	0	40	-1.0	-52.08	324.04	6.27	-45.81
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007579268	0	40	-1.0	-56.30	325.55	7.76	-48.54
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579269	0	43	-1.0	-51.60	369.68	3.00	-48.60
O=C([O-])C1CCCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300007579270	0	44	-1.0	-63.79	358.87	4.32	-59.47
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579271	0	38	-1.0	-55.11	334.80	2.52	-52.59
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300007579272	0	42	-1.0	-52.83	339.98	8.73	-44.10
CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300007579273	0	43	-1.0	-48.93	333.19	5.37	-43.56
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300007579274	0	38	-1.0	-53.28	308.81	7.32	-45.96
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300007579275	0	42	-1.0	-51.38	347.54	8.41	-42.97
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579276	0	35	-1.0	-44.64	283.76	5.37	-39.27
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=CC=C12	REAL300007579277	0	46	-1.0	-51.47	362.25	7.17	-44.30
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300007579278	0	33	-1.0	-56.02	295.10	3.39	-52.63
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579279	0	36	-1.0	-51.48	313.24	5.38	-46.10
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579280	0	47	-1.0	-48.76	364.52	7.78	-40.98
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007579281	0	35	-1.0	-50.55	309.57	6.11	-44.44
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579282	0	42	-1.0	-48.49	343.36	5.84	-42.65
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300007579283	0	35	-1.0	-49.37	313.90	6.22	-43.15
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300007579284	0	33	-1.0	-60.51	288.41	3.74	-56.77
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300007579285	0	37	-1.0	-50.78	325.20	7.52	-43.26
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300007579286	0	37	-1.0	-54.99	308.09	6.08	-48.91
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300007579287	0	43	-1.0	-52.28	378.86	8.39	-43.89
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579288	0	38	-1.0	-47.35	324.02	5.49	-41.86
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300007579289	0	36	-1.0	-47.33	309.82	4.37	-42.96
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300007579290	0	35	-1.0	-51.52	300.83	5.70	-45.82
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300007579291	0	43	-1.0	-48.72	381.23	8.43	-40.29
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2)C=C1	REAL300007579292	0	47	-1.0	-49.91	393.99	7.20	-42.71
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C(C)C)=C1	REAL300007579293	0	59	-1.0	-48.17	425.57	10.57	-37.60
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007579294	0	48	-1.0	-51.76	376.95	8.22	-43.54
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300007579295	0	35	-1.0	-48.67	329.09	6.68	-41.99
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007579296	0	42	-1.0	-52.36	337.14	6.67	-45.69
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579297	0	37	-1.0	-47.63	304.78	5.92	-41.71
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579298	0	37	-1.0	-54.86	300.76	5.80	-49.06
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579299	0	40	-1.0	-52.38	328.47	7.30	-45.08
CC(C)CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579300	0	44	-1.0	-48.88	355.20	7.68	-41.20
COCCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579301	0	42	-1.0	-49.50	350.66	5.51	-43.99
COCCN(CCOC)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579302	0	44	-1.0	-48.89	351.27	2.27	-46.62
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579303	0	35	-1.0	-44.60	294.09	5.83	-38.77
COC1=C(C)C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007579304	0	42	-1.0	-49.39	346.93	5.84	-43.55
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579305	0	48	-1.0	-48.14	386.02	7.32	-40.82
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300007579306	0	46	-1.0	-49.37	368.32	7.20	-42.17
CC(C)COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579307	0	45	-1.0	-48.27	367.06	6.71	-41.56
CCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579308	0	42	-1.0	-48.34	346.95	6.02	-42.32
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007579309	0	36	-1.0	-47.04	319.62	4.85	-42.19
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300007579310	0	36	-1.0	-49.22	329.36	5.12	-44.10
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007579311	0	39	-1.0	-48.93	323.66	5.04	-43.89
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300007579312	0	45	-1.0	-48.64	363.43	6.59	-42.05
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300007579313	0	39	-1.0	-48.58	306.60	4.56	-44.02
COCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579314	0	43	-1.0	-50.70	359.08	4.49	-46.21
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300007579315	0	35	-1.0	-54.80	303.21	5.78	-49.02
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579316	0	35	-1.0	-45.27	298.09	5.84	-39.43
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1C	REAL300007579317	0	40	-1.0	-48.62	316.21	7.37	-41.25
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579318	0	41	-1.0	-52.81	338.08	2.83	-49.98
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300007579319	0	44	-1.0	-53.75	382.64	2.87	-50.88
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579320	0	40	-1.0	-54.07	350.72	1.16	-52.91
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579321	0	40	-1.0	-50.68	329.28	2.97	-47.71
CC1=NC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300007579322	0	34	-1.0	-49.88	300.70	3.44	-46.44
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC3=CC=CC=C32)C1	REAL300007579323	0	35	-1.0	-50.19	303.65	6.12	-44.07
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300007579324	0	36	-1.0	-47.69	309.81	4.37	-43.32
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300007579325	0	42	-1.0	-49.60	348.29	8.41	-41.19
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300007579326	0	35	-1.0	-49.22	331.10	6.74	-42.48
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)S2)=CS1	REAL300007579327	0	38	-1.0	-50.90	352.40	5.54	-45.36
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300007579328	0	52	-1.0	-49.58	408.67	8.61	-40.97
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579329	0	40	-1.0	-56.42	328.79	6.71	-49.71
CNC(=O)C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CN1C	REAL300007579330	0	40	-1.0	-51.93	338.07	2.66	-49.27
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300007579331	0	42	-1.0	-48.72	322.81	5.55	-43.17
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300007579332	0	43	-1.0	-50.99	358.34	9.11	-41.88
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007579333	0	42	-1.0	-46.91	326.90	5.34	-41.57
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300007579334	0	40	-1.0	-49.03	316.81	6.04	-42.99
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300007579335	0	37	-1.0	-52.68	304.08	5.23	-47.45
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCCC(C(=O)[O-])C1)=C2	REAL300007579336	0	45	-1.0	-55.97	373.92	8.83	-47.14
CCN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007579337	0	37	-1.0	-54.72	320.96	5.55	-49.17
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300007579338	0	39	-1.0	-48.89	345.02	5.68	-43.21
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300007579339	0	46	-1.0	-51.00	385.35	8.28	-42.72
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579340	0	40	-1.0	-51.92	337.21	6.26	-45.66
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300007579341	0	42	-1.0	-54.27	359.35	6.54	-47.73
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300007579342	0	35	-1.0	-57.23	300.40	4.15	-53.08
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579343	0	54	-1.0	-48.87	411.71	7.93	-40.94
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579344	0	40	-1.0	-53.25	347.68	1.70	-51.55
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300007579345	0	35	-1.0	-49.71	303.58	5.78	-43.93
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007579346	0	45	-1.0	-51.95	359.00	7.59	-44.36
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579347	0	42	-1.0	-51.72	339.78	6.45	-45.27
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300007579348	0	37	-1.0	-65.69	322.37	5.17	-60.52
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300007579349	0	39	-1.0	-50.08	333.95	6.09	-43.99
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579350	0	46	-1.0	-50.71	380.93	5.45	-45.26
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579351	0	48	-1.0	-48.21	389.95	7.58	-40.63
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300007579352	0	42	-1.0	-49.52	317.66	7.07	-42.45
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300007579353	0	38	-1.0	-49.45	325.28	6.73	-42.72
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300007579354	0	36	-1.0	-48.79	330.49	6.46	-42.33
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300007579355	0	37	-1.0	-50.47	309.34	4.26	-46.21
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300007579356	0	40	-1.0	-55.15	337.78	6.27	-48.88
O=C([O-])C1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300007579357	0	38	-1.0	-57.12	314.41	1.39	-55.73
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300007579358	0	37	-1.0	-56.87	322.36	5.17	-51.70
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300007579359	0	42	-1.0	-48.26	328.46	5.50	-42.76
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579360	0	40	-1.0	-52.00	350.72	1.16	-50.84
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300007579361	0	36	-1.0	-48.01	305.58	5.09	-42.92
CSC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579362	0	36	-1.0	-48.30	314.30	6.02	-42.28
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300007579363	0	38	-1.0	-49.58	336.23	6.73	-42.85
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579364	0	43	-1.0	-49.92	343.02	6.80	-43.12
CCN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)N=C1C	REAL300007579365	0	38	-1.0	-56.70	319.11	4.76	-51.94
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300007579366	0	38	-1.0	-51.78	308.50	4.54	-47.24
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300007579367	0	37	-1.0	-51.89	303.91	5.10	-46.79
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300007579368	0	44	-1.0	-51.20	367.81	6.99	-44.21
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300007579369	0	38	-1.0	-51.79	328.53	6.52	-45.27
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300007579370	0	38	-1.0	-53.13	344.44	5.60	-47.53
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300007579371	0	41	-1.0	-48.37	338.96	6.59	-41.78
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C12	REAL300007579372	0	40	-1.0	-52.32	339.70	4.70	-47.62
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579373	0	39	-1.0	-51.81	342.78	5.62	-46.19
COCC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579374	0	39	-1.0	-49.63	329.16	4.72	-44.91
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=C2O1	REAL300007579375	0	43	-1.0	-55.05	347.79	6.28	-48.77
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300007579376	0	35	-1.0	-52.88	311.29	6.20	-46.68
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300007579377	0	44	-1.0	-60.73	369.95	3.50	-57.23
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007579378	0	39	-1.0	-49.36	343.17	5.50	-43.86
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300007579379	0	40	-1.0	-54.37	331.85	5.73	-48.64
O=C([O-])C1CCCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300007579380	0	35	-1.0	-52.29	324.22	6.60	-45.69
CC1CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300007579381	0	40	-1.0	-49.35	330.43	5.58	-43.77
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579382	0	44	-1.0	-48.25	323.27	7.57	-40.68
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579383	0	44	-1.0	-55.76	349.87	3.35	-52.41
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300007579384	0	43	-1.0	-49.76	379.54	8.35	-41.41
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300007579385	0	38	-1.0	-54.63	338.10	5.53	-49.10
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300007579386	0	38	-1.0	-52.85	354.77	6.05	-46.80
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2)=CO1	REAL300007579387	0	41	-1.0	-56.05	350.49	4.06	-51.99
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007579388	0	35	-1.0	-51.41	311.73	3.58	-47.83
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300007579389	0	35	-1.0	-49.48	303.85	5.39	-44.09
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300007579390	0	35	-1.0	-48.10	299.42	3.62	-44.48
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007579391	0	35	-1.0	-49.84	300.11	1.67	-48.17
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300007579392	0	40	-1.0	-49.31	327.83	5.62	-43.69
O=C([O-])C1CCCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300007579393	0	39	-1.0	-49.43	314.73	6.69	-42.74
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=N2)C=C1	REAL300007579394	0	42	-1.0	-53.22	355.32	6.76	-46.46
CC1CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300007579395	0	40	-1.0	-51.70	347.87	6.11	-45.59
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007579396	0	37	-1.0	-47.34	318.29	6.17	-41.17
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007579397	0	43	-1.0	-52.84	361.09	5.72	-47.12
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300007579398	0	34	-1.0	-50.24	304.93	4.47	-45.77
CN(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579399	0	40	-1.0	-50.77	325.20	5.38	-45.39
CC1=CC2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2C=C1	REAL300007579400	0	41	-1.0	-51.33	340.23	7.92	-43.41
COC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)SC=C1	REAL300007579401	0	33	-1.0	-52.33	293.66	3.98	-48.35
CN(C)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579402	0	40	-1.0	-50.00	326.63	5.40	-44.60
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300007579403	0	37	-1.0	-53.34	305.93	4.84	-48.50
O=C([O-])C1CCCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300007579404	0	37	-1.0	-57.86	321.24	5.09	-52.77
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300007579405	0	37	-1.0	-54.01	309.18	4.82	-49.19
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300007579406	0	38	-1.0	-49.56	335.40	7.00	-42.56
CN1CCCC2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C21	REAL300007579407	0	44	-1.0	-52.67	347.15	5.54	-47.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300007579408	0	34	-1.0	-49.85	308.43	4.29	-45.56
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579409	0	40	-1.0	-56.83	327.38	5.49	-51.34
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579410	0	40	-1.0	-53.15	321.97	6.45	-46.70
CC1=CC=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300007579411	0	40	-1.0	-63.27	323.69	8.03	-55.24
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007579412	0	40	-1.0	-44.23	321.30	6.45	-37.78
COC1=CC=C(CCS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579413	0	42	-1.0	-50.87	348.17	5.78	-45.09
COC1=CN=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579414	0	35	-1.0	-50.07	297.51	2.46	-47.61
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300007579415	0	41	-1.0	-48.71	345.95	6.62	-42.09
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300007579416	0	39	-1.0	-49.12	323.30	7.10	-42.02
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC(OC)=C1	REAL300007579417	0	40	-1.0	-51.75	332.33	3.56	-48.19
O=C([O-])C1CCCN(S(=O)(=O)CCC2CCCCC2)C1	REAL300007579418	0	44	-1.0	-50.31	338.98	6.66	-43.65
CC1=CC=C(CCS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579419	0	41	-1.0	-49.87	340.08	7.15	-42.72
CC1=CC2=C(C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1)OCO2	REAL300007579420	0	38	-1.0	-52.08	302.52	3.93	-48.15
O=C([O-])C1CCCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300007579421	0	35	-1.0	-54.06	299.34	5.27	-48.79
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300007579422	0	36	-1.0	-47.49	319.62	4.85	-42.64
CN1C=NC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C21	REAL300007579423	0	38	-1.0	-53.44	321.66	6.32	-47.12
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007579424	0	40	-1.0	-59.19	323.28	6.55	-52.64
CC1=NC2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2O1	REAL300007579425	0	37	-1.0	-52.71	316.58	2.64	-50.07
CCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1CC	REAL300007579426	0	44	-1.0	-49.98	351.16	7.56	-42.42
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579427	0	40	-1.0	-45.83	322.24	6.96	-38.87
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579428	0	42	-1.0	-51.02	332.38	6.48	-44.54
CC1=C(C)SC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579429	0	35	-1.0	-50.12	306.33	5.36	-44.76
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579430	0	33	-1.0	-47.46	290.21	2.93	-44.53
CCC1=NC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300007579431	0	34	-1.0	-48.93	304.10	3.58	-45.35
CN(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007579432	0	39	-1.0	-52.43	321.33	4.85	-47.58
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300007579433	0	35	-1.0	-46.86	301.76	5.57	-41.29
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300007579434	0	38	-1.0	-55.11	318.74	6.27	-48.84
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300007579435	0	35	-1.0	-52.45	297.28	3.61	-48.84
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC(C)=C1F	REAL300007579436	0	38	-1.0	-47.31	320.37	6.29	-41.02
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300007579437	0	39	-1.0	-58.86	330.10	4.75	-54.11
O=C([O-])C1CCCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300007579438	0	45	-1.0	-53.87	374.19	6.55	-47.32
O=C([O-])C1CCCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C1	REAL300007579439	0	36	-1.0	-62.05	304.08	4.79	-57.26
O=C([O-])C1CCCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300007579440	0	34	-1.0	-55.06	300.80	4.67	-50.39
CC1=NC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)=CS1	REAL300007579441	0	34	-1.0	-53.24	303.96	3.43	-49.81
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300007579442	0	35	-1.0	-49.56	313.90	6.24	-43.32
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1Cl	REAL300007579443	0	35	-1.0	-47.18	309.56	6.09	-41.09
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300007579444	0	38	-1.0	-51.70	321.47	5.96	-45.74
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2)=N1	REAL300007579445	0	41	-1.0	-49.33	360.33	6.47	-42.86
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300007579446	0	40	-1.0	-52.30	317.36	6.17	-46.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300007579447	0	39	-1.0	-56.92	338.03	2.84	-54.08
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300007579448	0	41	-1.0	-50.68	329.98	5.36	-45.32
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300007579449	0	35	-1.0	-50.17	317.69	6.26	-43.91
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579450	0	57	-1.0	-48.16	454.44	9.92	-38.24
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579451	0	45	-1.0	-48.13	364.17	6.66	-41.47
COC(CS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1CCCC1	REAL300007579452	0	45	-1.0	-49.74	346.24	5.34	-44.40
COC(CS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1CCCCC1	REAL300007579453	0	48	-1.0	-48.25	368.85	6.18	-42.07
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300007579454	0	46	-1.0	-54.27	391.58	8.35	-45.92
CCOC(CS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1CC1	REAL300007579455	0	42	-1.0	-53.23	337.72	5.34	-47.89
CCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(C)C	REAL300007579456	0	51	-1.0	-48.07	405.55	8.04	-40.03
CCC1=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CN1CC1CC1	REAL300007579457	0	45	-1.0	-56.38	367.75	6.76	-49.62
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300007579458	0	35	-1.0	-49.20	313.83	4.51	-44.69
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300007579459	0	40	-1.0	-48.94	327.91	6.88	-42.06
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579460	0	39	-1.0	-47.41	317.63	4.79	-42.62
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300007579461	0	45	-1.0	-47.79	372.90	7.16	-40.63
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579462	0	35	-1.0	-47.89	314.44	3.64	-44.25
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300007579463	0	43	-1.0	-48.22	374.70	9.09	-39.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300007579464	0	42	-1.0	-52.72	331.44	8.02	-44.70
CCC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C(C)C=C1OC	REAL300007579465	0	45	-1.0	-50.65	349.02	6.08	-44.57
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300007579466	0	38	-1.0	-46.96	345.31	6.87	-40.09
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=N1	REAL300007579467	0	34	-1.0	-59.04	297.84	3.82	-55.22
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300007579468	0	41	-1.0	-53.16	321.81	7.95	-45.21
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007579469	0	41	-1.0	-47.50	342.55	3.51	-43.99
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579470	0	36	-1.0	-47.71	300.06	5.11	-42.60
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(C)C	REAL300007579471	0	48	-1.0	-48.35	384.05	7.24	-41.11
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300007579472	0	44	-1.0	-51.13	351.16	7.23	-43.90
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300007579473	0	51	-1.0	-50.24	399.01	9.52	-40.72
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579474	0	42	-1.0	-48.32	328.80	4.91	-43.41
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300007579475	0	44	-1.0	-50.29	341.54	5.16	-45.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300007579476	0	42	-1.0	-51.74	340.84	5.32	-46.42
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579477	0	35	-1.0	-50.08	298.01	3.53	-46.55
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579478	0	39	-1.0	-52.01	332.46	5.17	-46.84
C=CCCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579479	0	42	-1.0	-49.11	351.30	7.78	-41.33
CCC1=NN(C)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579480	0	38	-1.0	-50.01	309.96	3.66	-46.35
CCCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(C)C	REAL300007579481	0	54	-1.0	-47.99	427.05	8.82	-39.17
O=C([O-])C1CCCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300007579482	0	36	-1.0	-48.07	322.01	6.68	-41.39
CCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(C)(C)C	REAL300007579483	0	54	-1.0	-48.10	418.11	8.71	-39.39
CCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1CC	REAL300007579484	0	48	-1.0	-48.28	388.63	7.51	-40.77
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579485	0	38	-1.0	-45.71	310.72	6.80	-38.91
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579486	0	38	-1.0	-49.33	333.52	7.01	-42.32
O=C([O-])C1CCCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300007579487	0	36	-1.0	-48.78	319.52	6.58	-42.20
CCCC1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579488	0	41	-1.0	-49.93	320.44	7.36	-42.57
COC1=NC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579489	0	35	-1.0	-51.90	293.69	2.22	-49.68
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579490	0	48	-1.0	-53.40	386.90	7.77	-45.63
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300007579491	0	37	-1.0	-53.52	303.96	5.52	-48.00
CC1=CSC(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579492	0	35	-1.0	-45.55	291.20	5.50	-40.05
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300007579493	0	39	-1.0	-48.09	323.25	4.65	-43.44
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300007579494	0	39	-1.0	-47.88	319.11	4.77	-43.11
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300007579495	0	42	-1.0	-46.89	334.06	5.23	-41.66
CC1(C)COC2=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=NN2C1	REAL300007579496	0	43	-1.0	-50.72	347.97	2.98	-47.74
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300007579497	0	38	-1.0	-50.26	340.91	5.90	-44.36
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300007579498	0	39	-1.0	-52.98	314.87	5.09	-47.89
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(C)C	REAL300007579499	0	57	-1.0	-48.01	448.54	9.61	-38.40
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007579500	0	48	-1.0	-50.89	371.44	6.98	-43.91
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579501	0	42	-1.0	-52.28	343.67	6.42	-45.86
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C(C)C	REAL300007579502	0	55	-1.0	-50.50	439.53	7.46	-43.04
CC1CC2=CC=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=C2O1	REAL300007579503	0	40	-1.0	-54.34	315.96	5.25	-49.09
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300007579504	0	40	-1.0	-49.09	342.74	4.66	-44.43
O=C([O-])C1CCCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300007579505	0	38	-1.0	-52.35	325.30	5.54	-46.81
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579506	0	37	-1.0	-57.94	314.02	4.57	-53.37
O=C([O-])C1CCCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300007579507	0	41	-1.0	-48.52	318.75	4.94	-43.58
O=C([O-])C1CCCN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C23)C1	REAL300007579508	0	36	-1.0	-49.29	324.50	5.40	-43.89
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300007579509	0	33	-1.0	-48.94	288.25	3.76	-45.18
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300007579510	0	35	-1.0	-52.52	312.19	6.39	-46.13
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579511	0	39	-1.0	-47.71	325.03	4.77	-42.94
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1F	REAL300007579512	0	41	-1.0	-45.63	320.74	6.94	-38.69
COC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1OC	REAL300007579513	0	40	-1.0	-54.34	326.59	4.86	-49.48
O=C([O-])C1CCCN(S(=O)(=O)C2=COC3=CC=CC=C32)C1	REAL300007579514	0	35	-1.0	-50.43	299.62	5.14	-45.29
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300007579515	0	45	-1.0	-52.92	350.49	5.44	-47.48
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579516	0	44	-1.0	-52.79	349.50	5.48	-47.31
CCCCN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=N1	REAL300007579517	0	44	-1.0	-51.09	351.16	5.37	-45.72
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C2CC2)=N1	REAL300007579518	0	39	-1.0	-51.03	316.06	4.40	-46.63
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300007579519	0	36	-1.0	-52.34	313.35	4.57	-47.77
CN1N=NC2=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=CC=C21	REAL300007579520	0	37	-1.0	-67.10	315.30	3.47	-63.63
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Br	REAL300007579521	0	38	-1.0	-44.68	316.85	6.49	-38.19
CC1(C)CCCN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300007579522	0	43	-1.0	-49.07	327.86	5.37	-43.70
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300007579523	0	38	-1.0	-46.69	341.63	6.11	-40.58
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300007579524	0	42	-1.0	-50.11	334.99	4.94	-45.17
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579525	0	50	-1.0	-51.46	382.53	8.88	-42.58
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300007579526	0	38	-1.0	-45.88	345.31	6.87	-39.01
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300007579527	0	42	-1.0	-53.21	347.37	5.61	-47.60
O=C([O-])C1CCCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300007579528	0	36	-1.0	-50.01	308.33	6.09	-43.92
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300007579529	0	43	-1.0	-50.72	366.25	7.86	-42.86
COC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007579530	0	41	-1.0	-62.70	339.52	6.20	-56.50
CCCC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579531	0	41	-1.0	-48.69	338.49	7.20	-41.49
CN1N=C2CCCC2=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579532	0	39	-1.0	-49.29	315.98	4.40	-44.89
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579533	0	41	-1.0	-47.43	318.72	4.69	-42.74
CC(C)(C)N1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007579534	0	41	-1.0	-52.84	337.86	4.68	-48.16
O=C([O-])C1CCCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300007579535	0	39	-1.0	-48.92	311.77	3.59	-45.33
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300007579536	0	37	-1.0	-45.40	325.12	4.82	-40.58
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300007579537	0	35	-1.0	-46.56	318.41	6.06	-40.50
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579538	0	43	-1.0	-51.58	358.71	7.02	-44.56
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300007579539	0	43	-1.0	-50.74	341.97	7.98	-42.76
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300007579540	0	38	-1.0	-48.27	335.81	6.00	-42.27
O=C([O-])C1CCCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300007579541	0	38	-1.0	-49.71	315.75	5.44	-44.27
O=C([O-])C1CCCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300007579542	0	39	-1.0	-57.04	326.41	3.35	-53.69
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579543	0	42	-1.0	-48.39	370.30	5.75	-42.64
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300007579544	0	32	-1.0	-49.07	290.53	5.04	-44.03
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300007579545	0	39	-1.0	-49.70	322.16	7.09	-42.61
COC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=CS1	REAL300007579546	0	33	-1.0	-48.77	292.20	3.49	-45.28
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300007579547	0	42	-1.0	-47.64	337.04	5.55	-42.09
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579548	0	41	-1.0	-46.92	330.42	4.76	-42.16
CN(C1CCCCCC1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579549	0	46	-1.0	-49.16	339.74	5.84	-43.32
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300007579550	0	46	-1.0	-50.97	367.93	3.98	-46.99
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579551	0	38	-1.0	-47.82	327.30	6.53	-41.29
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300007579552	0	36	-1.0	-49.71	313.36	4.57	-45.14
O=C([O-])C1CCCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300007579553	0	47	-1.0	-49.64	365.25	7.48	-42.16
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300007579554	0	33	-1.0	-48.78	296.73	3.43	-45.35
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=NC=CC=C12	REAL300007579555	0	43	-1.0	-59.22	340.70	7.01	-52.21
O=C([O-])C1CCCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300007579556	0	40	-1.0	-50.21	329.39	5.07	-45.14
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300007579557	0	35	-1.0	-52.21	306.04	3.68	-48.53
CCOCC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579558	0	42	-1.0	-49.65	351.02	5.68	-43.97
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579559	0	42	-1.0	-50.53	352.74	6.26	-44.27
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300007579560	0	45	-1.0	-48.05	359.77	5.92	-42.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300007579561	0	43	-1.0	-49.82	362.77	7.84	-41.98
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300007579562	0	35	-1.0	-51.77	288.92	5.83	-45.94
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC(C)=C1Br	REAL300007579563	0	38	-1.0	-47.45	331.04	6.70	-40.75
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007579564	0	41	-1.0	-53.72	326.53	7.85	-45.87
CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300007579565	0	42	-1.0	-54.51	349.58	6.11	-48.40
O=C([O-])C1CCCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300007579566	0	36	-1.0	-48.95	311.25	6.22	-42.73
O=C([O-])C1CCCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300007579567	0	36	-1.0	-48.04	326.57	6.77	-41.27
O=C([O-])C1CCCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300007579568	0	36	-1.0	-48.57	326.14	6.78	-41.79
O=C([O-])C1CCCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300007579569	0	37	-1.0	-57.16	317.33	-1.02	-58.18
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300007579570	0	35	-1.0	-55.43	298.44	5.37	-50.06
O=C([O-])C1CCCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300007579571	0	38	-1.0	-51.01	306.34	5.40	-45.61
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300007579572	0	34	-1.0	-50.37	303.88	4.37	-46.00
O=C([O-])C1CCCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300007579573	0	40	-1.0	-51.03	327.74	2.17	-48.86
CC1=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007579574	0	41	-1.0	-55.80	350.49	4.06	-51.74
O=C([O-])C1CCCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300007579575	0	49	-1.0	-51.98	350.85	7.92	-44.06
CC1(C)COC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300007579576	0	42	-1.0	-50.29	333.43	4.27	-46.02
O=C([O-])C1CCCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300007579577	0	35	-1.0	-56.67	304.41	0.66	-56.01
CC(C)(CS(=O)(=O)N1CCCC(C(=O)[O-])C1)C(C)(F)F	REAL300007579578	0	40	-1.0	-50.48	312.41	5.47	-45.01
CS(=O)(=O)CCCCS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579579	0	40	-1.0	-61.58	343.89	1.79	-59.79
CC1(C)CCC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)OC1	REAL300007579580	0	45	-1.0	-49.75	347.66	5.33	-44.42
O=C([O-])C1CCCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300007579581	0	42	-1.0	-49.00	344.65	7.32	-41.68
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300007579582	0	36	-1.0	-52.00	322.10	4.07	-47.93
O=C([O-])C1CCCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300007579583	0	42	-1.0	-53.06	355.84	7.88	-45.18
O=C([O-])C1CCCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300007579584	0	41	-1.0	-57.68	326.37	2.81	-54.87
O=C([O-])C1CCCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300007579585	0	45	-1.0	-48.88	340.98	6.96	-41.92
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300007579586	0	36	-1.0	-47.74	317.88	6.32	-41.42
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C21	REAL300007579587	0	54	-1.0	-49.20	403.79	9.18	-40.02
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579588	0	43	-1.0	-49.82	350.66	6.01	-43.81
COC1=CSC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1OC	REAL300007579589	0	37	-1.0	-48.50	325.13	3.68	-44.82
O=C([O-])C1CCCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300007579590	0	44	-1.0	-49.45	333.42	5.46	-43.99
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579591	0	43	-1.0	-48.10	353.51	6.87	-41.23
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300007579592	0	36	-1.0	-51.71	317.87	5.72	-45.99
COC1=CC(F)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300007579593	0	36	-1.0	-50.09	311.82	4.54	-45.55
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300007579594	0	36	-1.0	-48.23	319.58	4.64	-43.59
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579595	0	38	-1.0	-49.26	315.32	4.85	-44.41
CN1C=CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C21	REAL300007579596	0	39	-1.0	-54.35	327.09	6.74	-47.61
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300007579597	0	41	-1.0	-49.88	351.82	5.47	-44.41
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579598	0	45	-1.0	-50.36	362.45	7.27	-43.09
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300007579599	0	43	-1.0	-48.56	362.81	7.83	-40.73
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579600	0	38	-1.0	-56.35	306.56	6.63	-49.72
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300007579601	0	33	-1.0	-52.79	311.84	3.88	-48.91
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579602	0	43	-1.0	-48.76	357.80	6.61	-42.15
CCN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C2CC2)=N1	REAL300007579603	0	42	-1.0	-50.89	337.59	5.26	-45.63
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300007579604	0	36	-1.0	-58.62	300.19	3.90	-54.72
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300007579605	0	38	-1.0	-48.37	336.73	7.78	-40.59
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300007579606	0	42	-1.0	-49.92	363.86	8.91	-41.01
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300007579607	0	31	-1.0	-53.48	301.02	2.91	-50.57
CCC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300007579608	0	38	-1.0	-47.26	333.19	6.87	-40.39
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579609	0	45	-1.0	-47.51	360.20	6.15	-41.36
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300007579610	0	29	-1.0	-47.36	282.90	4.52	-42.84
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579611	0	46	-1.0	-53.16	373.09	5.36	-47.80
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300007579612	0	38	-1.0	-50.42	324.14	7.42	-43.00
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579613	0	40	-1.0	-50.30	320.49	2.56	-47.74
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300007579614	0	39	-1.0	-51.54	311.91	7.07	-44.47
CC1(C)CCN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300007579615	0	43	-1.0	-47.88	322.18	4.89	-42.99
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300007579616	0	47	-1.0	-50.40	375.98	5.37	-45.03
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579617	0	35	-1.0	-47.97	311.25	2.74	-45.23
COC1=NC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007579618	0	38	-1.0	-47.51	321.44	2.41	-45.10
CC(C)CN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007579619	0	41	-1.0	-48.26	340.77	5.08	-43.18
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579620	0	41	-1.0	-49.99	329.24	4.47	-45.52
O=C([O-])C1CCCN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300007579621	0	42	-1.0	-50.56	327.06	2.13	-48.43
COCC1=CC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)=NO1	REAL300007579622	0	38	-1.0	-52.27	328.47	2.91	-49.36
O=C([O-])C1CCCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300007579623	0	37	-1.0	-52.62	323.48	6.89	-45.73
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)N=C1	REAL300007579624	0	43	-1.0	-49.83	347.19	5.36	-44.47
CC(C)N1N=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579625	0	38	-1.0	-46.87	312.20	4.12	-42.75
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300007579626	0	39	-1.0	-48.05	317.41	5.11	-42.94
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300007579627	0	39	-1.0	-52.71	328.94	6.13	-46.58
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300007579628	0	34	-1.0	-51.00	302.99	3.89	-47.11
O=C([O-])C1CCCN(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300007579629	0	37	-1.0	-58.98	308.01	5.35	-53.63
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=NN1C(C)C	REAL300007579630	0	41	-1.0	-45.90	325.97	4.40	-41.50
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007579631	0	46	-1.0	-50.61	382.95	8.57	-42.04
O=C([O-])C1CCCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300007579632	0	37	-1.0	-56.74	306.20	5.30	-51.44
O=C([O-])C1CCCN(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300007579633	0	35	-1.0	-48.44	304.74	4.69	-43.75
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579634	0	40	-1.0	-59.68	328.60	0.68	-59.00
O=C([O-])C1CCCN(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300007579635	0	39	-1.0	-48.94	304.56	3.10	-45.84
N#CC1CCN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)CC1	REAL300007579636	0	38	-1.0	-53.82	312.16	4.44	-49.38
COC1=CC=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579637	0	35	-1.0	-53.27	298.93	2.39	-50.88
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C(F)F)=C1	REAL300007579638	0	39	-1.0	-53.55	319.11	5.39	-48.16
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)N=C1	REAL300007579639	0	35	-1.0	-50.08	300.20	2.33	-47.75
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579640	0	38	-1.0	-48.26	333.61	3.24	-45.02
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300007579641	0	37	-1.0	-51.64	304.63	5.41	-46.23
CCOC1=CC=CN=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007579642	0	38	-1.0	-55.60	319.90	4.13	-51.47
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=NC=CC=C12	REAL300007579643	0	40	-1.0	-55.42	325.86	6.61	-48.81
O=C([O-])C1CCCN(S(=O)(=O)C2=CNC3=CC=CC=C32)C1	REAL300007579644	0	36	-1.0	-51.23	303.24	4.80	-46.43
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300007579645	0	34	-1.0	-55.78	303.55	4.02	-51.76
O=C([O-])C1CCCN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300007579646	0	39	-1.0	-49.46	341.86	5.79	-43.67
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007579647	0	45	-1.0	-52.83	358.68	7.01	-45.82
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300007579648	0	32	-1.0	-54.79	301.08	5.14	-49.65
CC(=O)C1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007579649	0	37	-1.0	-61.65	335.94	5.47	-56.18
CCCCN(C)S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579650	0	39	-1.0	-52.05	336.22	4.73	-47.32
CCC(C)C1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007579651	0	44	-1.0	-53.11	373.36	7.66	-45.45
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)S1	REAL300007579652	0	32	-1.0	-52.71	308.50	4.87	-47.84
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300007579653	0	29	-1.0	-51.30	303.66	4.69	-46.61
COC1=CC=C(C)C=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579654	0	39	-1.0	-54.83	336.61	5.57	-49.26
CC1=CC=C(Br)C=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579655	0	35	-1.0	-51.18	330.68	6.59	-44.59
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1	REAL300007579656	0	36	-1.0	-53.22	331.76	5.40	-47.82
O=C([O-])C1=CC=CC(CNS(=O)(=O)N2CCOCC2)=C1	REAL300007579657	0	35	-1.0	-52.65	303.91	1.87	-50.78
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007579658	0	38	-1.0	-62.73	355.38	2.59	-60.14
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300007579659	0	36	-1.0	-54.05	340.68	4.86	-49.19
COC1=CC(C)=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1OC	REAL300007579660	0	43	-1.0	-54.27	368.05	5.17	-49.10
CC1=CC(Cl)=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579661	0	35	-1.0	-51.38	326.11	6.49	-44.89
CN(C1CCCCC1)S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579662	0	43	-1.0	-51.21	347.08	5.44	-45.77
CC1=NN(C)C(C)=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579663	0	38	-1.0	-57.32	332.29	4.14	-53.18
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300007579664	0	48	-1.0	-52.89	396.55	8.88	-44.01
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300007579665	0	38	-1.0	-56.78	339.16	4.23	-52.55
CCC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007579666	0	38	-1.0	-53.24	337.58	6.51	-46.73
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC=C2Br)=C1	REAL300007579667	0	32	-1.0	-54.69	311.14	5.81	-48.88
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CN(C1CCOCC1)S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579684	0	41	-1.0	-51.94	342.53	3.14	-48.80
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CCN1N=C(C)C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300007579687	0	41	-1.0	-55.14	353.21	4.97	-50.17
CC(C)N1C=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007579688	0	38	-1.0	-55.29	339.44	4.16	-51.13
CC(C)CN1C=NC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007579689	0	41	-1.0	-57.34	357.21	6.49	-50.85
CC(C)N1C=NC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007579690	0	38	-1.0	-56.62	340.12	5.45	-51.17
CC(C)C1=NC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CN1	REAL300007579691	0	38	-1.0	-56.63	338.48	3.51	-53.12
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579692	0	44	-1.0	-52.57	347.17	7.58	-44.99
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007579693	0	40	-1.0	-61.42	360.79	4.48	-56.94
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COC1=CC(Cl)=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1OC	REAL300007579695	0	40	-1.0	-53.67	355.08	4.33	-49.34
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1Br	REAL300007579696	0	35	-1.0	-52.55	334.17	6.26	-46.29
CC1=C(F)C=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579697	0	35	-1.0	-53.98	314.57	6.01	-47.97
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CC(COC1CCCC1)CS(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579716	0	48	-1.0	-53.81	395.50	6.45	-47.36
COCC(C)CS(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579717	0	38	-1.0	-53.98	328.70	3.40	-50.58
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COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007579719	0	39	-1.0	-53.91	362.90	5.37	-48.54
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COC1=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=C1[N+](=O)[O-]	REAL300007579722	0	38	-1.0	-57.15	350.22	5.81	-51.34
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579723	0	38	-1.0	-51.68	348.45	7.00	-44.68
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579724	0	38	-1.0	-51.44	348.45	6.99	-44.45
CC1=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300007579725	0	38	-1.0	-52.85	349.11	6.58	-46.27
CC(C)C1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579726	0	41	-1.0	-52.39	348.59	7.16	-45.23
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CCOC1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007579728	0	39	-1.0	-55.93	346.03	5.29	-50.64
COCCN1C=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007579729	0	39	-1.0	-55.87	354.43	2.69	-53.18
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)=C1	REAL300007579730	0	39	-1.0	-58.97	359.03	5.61	-53.36
O=C([O-])C1=CC=CC(CNS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300007579731	0	40	-1.0	-59.31	368.16	7.26	-52.05
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1	REAL300007579732	0	37	-1.0	-56.32	335.87	5.44	-50.88
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O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300007579735	0	39	-1.0	-68.38	359.28	2.93	-65.45
CC1=CC(Br)=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007579736	0	35	-1.0	-52.17	337.38	6.35	-45.82
CC1=C(Br)C=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579737	0	35	-1.0	-53.14	327.31	6.49	-46.65
COCC1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579738	0	39	-1.0	-53.47	341.23	5.19	-48.28
COC1=CC(OC)=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300007579739	0	40	-1.0	-55.31	360.68	4.77	-50.54
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CC1(C)CC2=CC(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300007579742	0	43	-1.0	-54.71	372.12	6.32	-48.39
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CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579744	0	43	-1.0	-60.41	374.92	4.26	-56.15
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007579745	0	44	-1.0	-61.57	398.34	4.29	-57.28
CSC1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579746	0	36	-1.0	-54.31	318.99	5.25	-49.06
CCC1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007579747	0	38	-1.0	-53.52	337.57	6.50	-47.02
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579748	0	43	-1.0	-61.04	375.41	5.03	-56.01
CCC1=CC=C(CS(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007579749	0	41	-1.0	-54.88	361.33	7.24	-47.64
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CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007579751	0	41	-1.0	-63.74	376.84	3.49	-60.25
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579752	0	42	-1.0	-60.91	375.90	2.43	-58.48
CC1=CC=C(CS(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300007579753	0	41	-1.0	-55.33	356.85	7.00	-48.33
COC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1C1=CC=CC=C1	REAL300007579754	0	46	-1.0	-55.10	402.87	8.13	-46.97
CC(C)CN(C)S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579755	0	39	-1.0	-51.80	334.51	4.68	-47.12
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CN(C1CCCC1)S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579757	0	40	-1.0	-51.84	333.36	4.86	-46.98
CC1(C)CN(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300007579758	0	41	-1.0	-52.07	340.87	3.28	-48.79
CC1=NOC(CS(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007579759	0	34	-1.0	-58.64	315.37	3.95	-54.69
CC(C)N1N=CC2=CC(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300007579760	0	44	-1.0	-56.61	385.40	6.60	-50.01
CCS(=O)(=O)NCCS(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579761	0	39	-1.0	-63.13	358.54	-0.17	-63.30
CC1=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300007579762	0	38	-1.0	-53.85	348.45	6.35	-47.50
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CC1=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C2=CC(Cl)=CC=C2S1	REAL300007579764	0	38	-1.0	-54.96	358.52	7.82	-47.14
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O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1	REAL300007579766	0	38	-1.0	-58.09	352.37	7.93	-50.16
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O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=CC3=NC=CC=C23)=C1	REAL300007579974	0	37	-1.0	-56.02	330.80	5.53	-50.49
O=C([O-])C1=CC=CC(CNS(=O)(=O)CC2CCCCO2)=C1	REAL300007579975	0	39	-1.0	-54.50	332.61	4.11	-50.39
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300007579976	0	38	-1.0	-52.82	349.12	6.59	-46.23
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)=C1	REAL300007579977	0	38	-1.0	-57.22	367.50	5.81	-51.41
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)=C1	REAL300007579978	0	41	-1.0	-58.08	359.51	6.66	-51.42
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C12	REAL300007579979	0	40	-1.0	-57.16	360.99	4.80	-52.36
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579980	0	39	-1.0	-55.67	363.34	5.68	-49.99
COCC1=CC=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007579981	0	39	-1.0	-54.94	349.75	4.79	-50.15
CC1(C)CC2=CC=CC(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)=C2O1	REAL300007579982	0	43	-1.0	-54.81	362.48	6.22	-48.59
CCN1C=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007579983	0	35	-1.0	-55.80	320.76	3.64	-52.16
O=C([O-])C1=CC=CC(CNS(=O)(=O)CC2=CC=CC=C2Cl)=C1	REAL300007579984	0	35	-1.0	-55.77	331.84	6.24	-49.53
O=C([O-])C1=CC=CC(CNS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300007579985	0	39	-1.0	-55.08	364.42	5.59	-49.49
CC(C1CC1)N(C)S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579986	0	40	-1.0	-52.13	335.52	5.06	-47.07
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=C1	REAL300007579987	0	40	-1.0	-60.51	356.55	5.71	-54.80
O=C([O-])C1=CC=CC(CNS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)=C1	REAL300007579988	0	35	-1.0	-54.57	345.34	6.69	-47.88
CC1CC2=CC(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300007579989	0	40	-1.0	-54.23	351.75	5.69	-48.54
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579990	0	44	-1.0	-51.67	352.01	8.27	-43.40
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007579991	0	44	-1.0	-56.66	382.33	4.05	-52.61
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)=C1	REAL300007579992	0	38	-1.0	-58.51	361.10	5.74	-52.77
COCCN(C)S(=O)(=O)NCC1=CC=CC(C(=O)[O-])=C1	REAL300007579993	0	37	-1.0	-52.12	323.63	2.38	-49.74
CC1=NC(C2=CC=C(S(=O)(=O)NCC3=CC=CC(C(=O)[O-])=C3)C=C2)=CO1	REAL300007579994	0	41	-1.0	-59.49	371.07	4.13	-55.36
CN1C=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300007579995	0	35	-1.0	-60.69	334.35	4.02	-56.67
CC1=CC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C(C)O1	REAL300007579996	0	35	-1.0	-53.04	319.46	4.59	-48.45
CC1=CSC(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300007579997	0	32	-1.0	-52.47	308.25	4.73	-47.74
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3O2)=C1	REAL300007579998	0	35	-1.0	-55.73	324.45	5.45	-50.28
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C3OCOC3=C2)=C1	REAL300007579999	0	35	-1.0	-56.52	320.73	3.73	-52.79
COC1=CC=C(S(=O)(=O)NCC2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300007580000	0	35	-1.0	-54.14	321.86	1.75	-52.39
COC1=CC=C(F)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580520	0	33	-1.0	-52.52	296.61	2.10	-50.42
CC1=C(Br)C=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007580521	0	34	-1.0	-47.73	334.44	4.02	-43.71
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580522	0	40	-1.0	-53.86	349.04	2.37	-51.49
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007580523	0	40	-1.0	-55.80	361.56	-0.83	-56.63
O=C([O-])COCCNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007580524	0	47	-1.0	-48.32	356.83	3.89	-44.43
CC1=NC2=C(S(=O)(=O)NCCOCC(=O)[O-])C=CC=C2C=C1	REAL300007580525	0	37	-1.0	-56.65	322.91	3.88	-52.77
O=C([O-])COCCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007580526	0	37	-1.0	-54.93	334.61	4.09	-50.84
O=C([O-])COCCNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007580527	0	40	-1.0	-51.90	346.84	0.75	-51.15
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580528	0	43	-1.0	-53.04	383.96	3.35	-49.69
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580529	0	43	-1.0	-52.78	376.61	3.33	-49.45
COCCOCCOCCS(=O)(=O)NCCOCC(=O)[O-]	REAL300007580530	0	43	-1.0	-54.85	378.17	-0.50	-55.35
CC(COC1CCCC1)CS(=O)(=O)NCCOCC(=O)[O-]	REAL300007580531	0	45	-1.0	-50.18	370.51	3.56	-46.62
O=C([O-])COCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007580532	0	44	-1.0	-53.09	385.03	3.62	-49.47
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580533	0	36	-1.0	-50.47	337.92	2.51	-47.96
O=C([O-])COCCNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007580534	0	37	-1.0	-52.94	327.73	-0.05	-52.99
COC1=CC(Br)=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580535	0	33	-1.0	-50.00	320.48	2.13	-47.87
O=C([O-])COCCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007580536	0	33	-1.0	-52.33	306.36	2.37	-49.96
COC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007580537	0	35	-1.0	-52.25	325.22	2.95	-49.30
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580538	0	35	-1.0	-47.34	323.11	4.09	-43.25
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580539	0	35	-1.0	-47.14	323.47	4.11	-43.03
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1C(F)(F)F	REAL300007580540	0	35	-1.0	-48.93	324.12	3.72	-45.21
CC(C)C1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580541	0	38	-1.0	-49.40	323.63	4.31	-45.09
O=C([O-])COCCNS(=O)(=O)CCCN1CCOCC1	REAL300007580542	0	41	-1.0	-51.57	343.37	-0.83	-52.40
CCOC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580543	0	36	-1.0	-53.53	321.06	2.43	-51.10
COCCN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C=N1	REAL300007580544	0	36	-1.0	-51.39	329.44	-0.18	-51.57
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007580545	0	36	-1.0	-53.74	334.06	2.75	-50.99
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1C	REAL300007580546	0	56	-1.0	-50.28	457.19	6.77	-43.51
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1F	REAL300007580547	0	43	-1.0	-52.34	390.17	0.63	-51.71
O=C([O-])COCCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007580548	0	37	-1.0	-54.66	343.16	4.37	-50.29
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007580549	0	34	-1.0	-52.20	310.89	2.58	-49.62
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007580550	0	32	-1.0	-50.73	314.74	3.52	-47.21
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300007580551	0	32	-1.0	-52.76	310.23	3.48	-49.28
O=C([O-])COCCNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007580552	0	36	-1.0	-67.32	334.31	0.07	-67.25
CC1=CC(Br)=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580553	0	32	-1.0	-48.47	312.40	3.49	-44.98
CC1=C(Br)C=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580554	0	32	-1.0	-49.48	303.15	3.50	-45.98
COCC1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580555	0	36	-1.0	-50.16	316.01	2.34	-47.82
COC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1Br	REAL300007580556	0	33	-1.0	-49.69	319.62	2.18	-47.51
COC1=CC(OC)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Cl	REAL300007580557	0	37	-1.0	-53.21	335.76	1.92	-51.29
O=C([O-])COCCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007580558	0	32	-1.0	-57.83	313.64	1.26	-56.57
O=C([O-])COCCNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007580559	0	32	-1.0	-56.58	307.61	1.09	-55.49
CC1(C)CC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C2O1	REAL300007580560	0	40	-1.0	-51.65	347.15	3.46	-48.19
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007580561	0	32	-1.0	-51.14	303.68	1.20	-49.94
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580562	0	40	-1.0	-52.81	335.90	0.16	-52.65
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1I	REAL300007580563	0	32	-1.0	-48.68	315.04	3.84	-44.84
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580564	0	41	-1.0	-57.77	373.35	1.42	-56.35
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580565	0	46	-1.0	-59.17	406.48	1.92	-57.25
CSC1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580566	0	33	-1.0	-52.16	294.02	2.38	-49.78
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580567	0	46	-1.0	-57.53	412.60	0.72	-56.81
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1F	REAL300007580568	0	37	-1.0	-54.05	348.65	-1.02	-55.07
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(OC)=C1	REAL300007580569	0	44	-1.0	-58.37	385.00	-0.34	-58.71
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(F)=C1	REAL300007580570	0	43	-1.0	-56.14	384.44	0.36	-55.78
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580571	0	43	-1.0	-55.28	388.82	0.00	-55.28
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580572	0	40	-1.0	-59.15	349.60	2.22	-56.93
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1F	REAL300007580573	0	43	-1.0	-52.95	391.61	0.66	-52.29
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007580574	0	44	-1.0	-59.63	375.74	3.31	-56.32
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1F	REAL300007580575	0	40	-1.0	-53.15	370.11	-0.13	-53.28
CCC1=CC=C(CS(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580576	0	38	-1.0	-51.53	336.33	4.35	-47.18
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007580577	0	44	-1.0	-51.14	383.45	2.65	-48.49
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007580578	0	41	-1.0	-56.30	336.65	1.13	-55.17
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580579	0	38	-1.0	-55.52	351.86	0.63	-54.89
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580580	0	39	-1.0	-58.35	350.90	-0.45	-58.80
CC1=CC=C(CS(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007580581	0	38	-1.0	-52.16	331.86	4.11	-48.05
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Br	REAL300007580582	0	36	-1.0	-52.45	341.46	3.10	-49.35
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007580583	0	43	-1.0	-51.59	377.88	5.27	-46.32
O=C([O-])COCCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007580584	0	33	-1.0	-51.97	316.68	2.82	-49.15
O=C([O-])COCCNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007580585	0	35	-1.0	-51.96	350.15	0.33	-51.63
COC1=CC=C(Br)C(CS(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580586	0	36	-1.0	-52.19	339.63	2.77	-49.42
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2S1	REAL300007580587	0	43	-1.0	-51.96	382.68	4.15	-47.81
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580588	0	36	-1.0	-52.21	329.66	3.21	-49.00
CC(C)N1N=CC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C21	REAL300007580589	0	41	-1.0	-53.21	360.41	3.74	-49.47
CCS(=O)(=O)NCCS(=O)(=O)NCCOCC(=O)[O-]	REAL300007580590	0	36	-1.0	-59.29	333.53	-3.06	-62.35
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007580591	0	35	-1.0	-50.07	323.45	3.47	-46.60
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007580592	0	32	-1.0	-49.37	325.32	4.14	-45.23
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007580593	0	35	-1.0	-52.58	333.53	4.95	-47.63
O=C([O-])COCCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007580594	0	32	-1.0	-49.72	312.44	3.60	-46.12
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007580595	0	35	-1.0	-56.14	327.43	5.07	-51.07
O=C([O-])COCCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007580596	0	35	-1.0	-51.40	330.70	4.00	-47.40
O=C([O-])COCCNS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007580597	0	40	-1.0	-53.26	350.84	3.53	-49.73
O=C([O-])COCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007580598	0	43	-1.0	-51.18	376.58	5.58	-45.60
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580599	0	42	-1.0	-57.54	377.11	3.77	-53.77
O=C([O-])COCCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007580600	0	40	-1.0	-57.70	369.70	-0.74	-58.44
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007580601	0	38	-1.0	-49.91	340.75	5.20	-44.71
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1N(C)C	REAL300007580602	0	40	-1.0	-51.04	344.59	2.87	-48.17
O=C([O-])COCCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007580603	0	35	-1.0	-50.30	331.14	4.14	-46.16
O=C([O-])COCCNS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007580604	0	34	-1.0	-54.94	302.54	-0.85	-55.79
O=C([O-])COCCNS(=O)(=O)CCOCC1CCCC1	REAL300007580605	0	42	-1.0	-50.23	354.43	2.66	-47.57
COC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Cl	REAL300007580606	0	36	-1.0	-47.91	329.95	2.98	-44.93
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580607	0	38	-1.0	-60.47	354.13	0.42	-60.05
CSC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Cl	REAL300007580608	0	33	-1.0	-52.31	324.90	3.68	-48.63
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580609	0	41	-1.0	-53.56	343.52	2.68	-50.88
O=C([O-])COCCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007580610	0	37	-1.0	-52.04	340.84	0.76	-51.28
CCC1=NOC2=NC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C12	REAL300007580611	0	36	-1.0	-51.72	330.92	-0.08	-51.80
O=C([O-])COCCNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007580612	0	40	-1.0	-54.59	366.22	2.03	-52.56
CN1N=CC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CN=C21	REAL300007580613	0	34	-1.0	-54.48	314.04	1.33	-53.15
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007580614	0	35	-1.0	-50.08	336.89	5.09	-44.99
CCC1=CC(CC)=C(S(=O)(=O)NCCOCC(=O)[O-])C(CC)=C1	REAL300007580615	0	47	-1.0	-48.48	369.54	6.96	-41.52
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580616	1	44	-1.0	-55.10	388.85	-0.53	-55.63
O=C([O-])COCCNS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007580617	0	36	-1.0	-54.54	315.47	2.24	-52.30
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007580618	0	35	-1.0	-50.39	338.30	0.29	-50.10
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007580619	0	38	-1.0	-53.63	336.17	5.98	-47.65
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1F	REAL300007580620	0	36	-1.0	-52.76	318.87	2.44	-50.32
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007580621	0	38	-1.0	-50.86	331.74	3.63	-47.23
O=C([O-])COCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007580623	0	37	-1.0	-52.66	339.13	3.47	-49.19
COCC1=CC(Cl)=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580624	0	36	-1.0	-49.35	341.48	2.44	-46.91
CC1=CC=C(CS(=O)(=O)NCCOCC(=O)[O-])C(F)=C1	REAL300007580625	0	35	-1.0	-54.54	320.17	3.62	-50.92
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007580627	0	29	-1.0	-47.27	302.26	2.40	-44.87
O=C([O-])COCCNS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007580628	0	42	-1.0	-51.98	358.43	5.49	-46.49
CC(C)(C)C1=CC(CS(=O)(=O)NCCOCC(=O)[O-])=NO1	REAL300007580629	0	40	-1.0	-55.11	351.57	2.91	-52.20
O=C([O-])COCCNS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007580630	0	38	-1.0	-57.38	330.82	-0.63	-58.01
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007580631	0	32	-1.0	-50.41	305.86	2.66	-47.75
CC1=C(CCS(=O)(=O)NCCOCC(=O)[O-])SC=N1	REAL300007580632	0	34	-1.0	-52.02	318.47	1.42	-50.60
COC1=CC=C2C=C(S(=O)(=O)NCCOCC(=O)[O-])CCC2=C1	REAL300007580633	0	41	-1.0	-52.05	353.62	3.90	-48.15
O=C([O-])COCCNS(=O)(=O)CC12CCC(CC1)CC2	REAL300007580634	0	42	-1.0	-49.66	327.11	4.22	-45.44
CC(C)(CCS(=O)(=O)NCCOCC(=O)[O-])S(C)(=O)=O	REAL300007580635	0	40	-1.0	-63.69	342.93	-0.69	-64.38
O=C([O-])COCCNS(=O)(=O)CC1CCCCC1(F)F	REAL300007580636	0	38	-1.0	-50.90	322.73	3.34	-47.56
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C12	REAL300007580637	0	44	-1.0	-55.08	393.07	5.48	-49.60
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C12	REAL300007580638	0	48	-1.0	-54.50	411.19	2.98	-51.52
CCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007580639	0	37	-1.0	-50.01	332.11	4.02	-45.99
O=C([O-])COCCNS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007580640	0	29	-1.0	-48.83	290.97	2.83	-46.00
O=C([O-])COCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007580641	0	31	-1.0	-50.17	297.91	2.88	-47.29
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007580642	0	35	-1.0	-52.12	315.64	4.49	-47.63
O=C([O-])COCCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007580643	0	31	-1.0	-56.35	297.91	2.88	-53.47
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580644	0	34	-1.0	-48.18	312.62	3.78	-44.40
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007580645	0	31	-1.0	-62.31	287.10	3.69	-58.62
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580646	0	36	-1.0	-51.45	333.36	3.58	-47.87
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580647	0	36	-1.0	-51.19	321.04	2.43	-48.76
CC1=CC(C)=C(C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1C	REAL300007580648	0	41	-1.0	-49.79	330.27	4.78	-45.01
CC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1	REAL300007580649	0	38	-1.0	-49.41	317.78	4.38	-45.03
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580650	0	44	-1.0	-48.83	360.64	5.42	-43.41
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007580651	0	32	-1.0	-52.03	308.76	3.22	-48.81
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007580652	0	32	-1.0	-55.03	294.60	3.78	-51.25
CC(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580653	0	34	-1.0	-51.74	310.94	2.62	-49.12
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007580654	0	35	-1.0	-52.12	325.21	2.95	-49.17
CC(C)(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580655	0	41	-1.0	-50.13	345.89	4.53	-45.60
CC(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580656	0	38	-1.0	-50.19	329.92	4.14	-46.05
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580657	0	46	-1.0	-55.33	406.44	1.92	-53.41
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580658	0	40	-1.0	-55.49	365.18	0.21	-55.28
CCCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580659	0	38	-1.0	-50.13	334.08	4.43	-45.70
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Br	REAL300007580660	0	33	-1.0	-52.59	319.60	2.18	-50.41
O=C([O-])COCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007580661	0	35	-1.0	-48.04	347.48	4.22	-43.82
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1Br	REAL300007580662	0	32	-1.0	-48.90	309.20	3.39	-45.51
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2)=C1	REAL300007580663	0	43	-1.0	-51.54	379.78	5.73	-45.81
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007580664	0	33	-1.0	-48.34	315.66	2.00	-46.34
CC1=C(C)C(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1C	REAL300007580665	0	44	-1.0	-50.46	343.55	5.23	-45.23
O=C([O-])COCCNS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007580666	0	38	-1.0	-52.41	332.52	2.15	-50.26
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580667	0	45	-1.0	-52.71	366.32	4.34	-48.37
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C21	REAL300007580668	0	36	-1.0	-52.06	345.12	4.58	-47.48
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007580669	0	34	-1.0	-56.71	313.91	3.40	-53.31
COC1=CC=C(Br)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580670	0	33	-1.0	-51.91	311.50	2.66	-49.25
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580671	0	47	-1.0	-49.49	372.01	6.02	-43.47
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007580672	0	32	-1.0	-48.92	308.44	3.20	-45.72
O=C([O-])COCCNS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007580673	0	39	-1.0	-50.62	332.41	4.70	-45.92
COC1=CC=C(OC)C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580674	0	37	-1.0	-54.62	319.67	1.32	-53.30
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1OC	REAL300007580675	0	37	-1.0	-53.38	328.42	1.41	-51.97
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007580676	0	37	-1.0	-50.82	324.16	4.61	-46.21
O=C([O-])COCCNS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007580677	0	34	-1.0	-50.94	305.60	2.07	-48.87
CC(C)CCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580678	0	44	-1.0	-49.99	373.14	5.71	-44.28
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1OCC	REAL300007580679	0	43	-1.0	-51.71	372.13	3.25	-48.46
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580680	0	34	-1.0	-56.53	323.92	-2.84	-59.37
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007580681	0	37	-1.0	-55.27	334.10	4.05	-51.22
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1C	REAL300007580682	0	37	-1.0	-47.58	329.59	4.30	-43.28
CC1=CC2=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C2N=C1	REAL300007580683	0	37	-1.0	-55.89	323.26	3.96	-51.93
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007580684	0	35	-1.0	-60.89	316.55	2.99	-57.90
COC1=CC(Cl)=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580685	0	33	-1.0	-50.28	306.94	2.55	-47.73
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580686	0	34	-1.0	-59.74	323.93	-2.84	-62.58
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007580687	0	41	-1.0	-59.57	378.71	0.04	-59.53
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580688	0	37	-1.0	-51.87	337.48	3.78	-48.09
O=C([O-])COCCNS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007580689	0	38	-1.0	-50.68	322.33	3.36	-47.32
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CN=C12	REAL300007580690	0	37	-1.0	-52.39	325.92	3.51	-48.88
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007580691	0	37	-1.0	-60.90	325.61	4.89	-56.01
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580692	0	40	-1.0	-59.33	365.19	0.21	-59.12
O=C([O-])COCCNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007580693	0	41	-1.0	-55.94	355.63	1.55	-54.39
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580694	0	35	-1.0	-62.02	330.38	-0.27	-62.29
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007580695	0	39	-1.0	-50.12	325.44	5.31	-44.81
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007580696	0	35	-1.0	-53.70	310.74	4.56	-49.14
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007580697	0	39	-1.0	-51.85	343.87	5.62	-46.23
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCOCC(=O)[O-])C=CC=C12	REAL300007580698	0	43	-1.0	-52.06	364.09	4.42	-47.64
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007580699	0	30	-1.0	-53.03	288.03	0.59	-52.44
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580700	0	33	-1.0	-51.97	306.94	2.55	-49.42
CCC(C)(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580701	0	44	-1.0	-50.07	360.12	5.00	-45.07
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Cl	REAL300007580702	0	32	-1.0	-48.81	305.16	3.31	-45.50
CC(C)OC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580703	0	39	-1.0	-50.40	338.95	3.05	-47.35
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007580704	0	32	-1.0	-50.72	310.18	3.42	-47.30
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=NON=C21	REAL300007580705	0	30	-1.0	-52.59	280.52	0.92	-51.67
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007580706	0	34	-1.0	-57.93	325.95	4.69	-53.24
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007580707	0	34	-1.0	-56.43	301.90	3.32	-53.11
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007580708	0	40	-1.0	-53.59	375.19	5.60	-47.99
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580709	0	35	-1.0	-50.42	318.43	2.70	-47.72
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1F	REAL300007580710	0	33	-1.0	-53.74	305.40	1.58	-52.16
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007580711	0	40	-1.0	-49.78	375.08	5.57	-44.21
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2)C=C1	REAL300007580712	0	44	-1.0	-51.82	387.85	4.34	-47.48
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCOCC(=O)[O-])C(C(C)C)=C1	REAL300007580713	0	56	-1.0	-49.14	427.95	8.07	-41.07
CC(C)OC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CC=C12	REAL300007580714	0	45	-1.0	-52.75	378.81	5.47	-47.28
O=C([O-])COCCNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007580715	0	32	-1.0	-50.22	325.36	3.88	-46.34
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CC=C12	REAL300007580716	0	39	-1.0	-53.18	339.06	3.92	-49.26
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580717	0	34	-1.0	-48.34	312.60	3.75	-44.59
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580718	0	34	-1.0	-54.96	307.72	3.52	-51.44
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580719	0	37	-1.0	-47.75	329.57	4.65	-43.10
CC(C)CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580720	0	41	-1.0	-50.12	350.84	4.89	-45.23
COCCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580721	0	39	-1.0	-50.90	346.24	2.72	-48.18
COCCN(CCOC)S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580722	0	41	-1.0	-48.93	343.60	-0.59	-49.52
CC1=CC=C(Cl)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580723	0	32	-1.0	-47.28	301.12	3.62	-43.66
COC1=C(C)C=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007580724	0	39	-1.0	-51.10	343.27	3.09	-48.01
CC(C)CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580725	0	45	-1.0	-50.00	381.62	4.53	-45.47
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007580726	0	43	-1.0	-50.71	364.33	4.43	-46.28
CC(C)COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580727	0	42	-1.0	-50.06	362.65	3.93	-46.13
CCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580728	0	39	-1.0	-50.13	342.55	3.23	-46.90
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Cl	REAL300007580729	0	33	-1.0	-52.66	315.21	2.06	-50.60
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007580730	0	33	-1.0	-52.06	324.97	2.34	-49.72
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007580731	0	36	-1.0	-50.72	319.26	2.25	-48.47
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1OC(C)C	REAL300007580732	0	42	-1.0	-50.38	359.05	3.80	-46.58
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1	REAL300007580733	0	36	-1.0	-50.17	313.87	2.40	-47.77
COCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580734	0	40	-1.0	-52.71	354.68	1.70	-51.01
CC1=CC(Br)=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580735	0	32	-1.0	-47.25	305.67	3.71	-43.54
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCOCC(=O)[O-])=C1C	REAL300007580736	0	37	-1.0	-60.68	320.87	4.95	-55.73
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580737	0	38	-1.0	-56.02	345.11	0.63	-55.39
O=C([O-])COCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007580738	0	41	-1.0	-55.56	378.71	0.05	-55.51
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580739	0	37	-1.0	-56.05	346.29	-1.62	-57.67
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580740	0	37	-1.0	-58.17	302.45	-0.49	-58.66
O=C([O-])COCCNS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007580741	0	32	-1.0	-51.26	295.66	3.09	-48.17
COC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1F	REAL300007580742	0	33	-1.0	-50.10	305.42	1.58	-48.52
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007580743	0	39	-1.0	-51.49	343.89	5.62	-45.87
O=C([O-])COCCNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007580744	0	32	-1.0	-50.00	326.92	3.91	-46.09
CC1=NC(C2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])S2)=CS1	REAL300007580745	0	35	-1.0	-52.22	349.14	2.76	-49.46
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007580746	0	49	-1.0	-50.83	404.26	5.82	-45.01
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580747	0	37	-1.0	-56.22	323.26	3.98	-52.24
CNC(=O)C1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CN1C	REAL300007580748	0	37	-1.0	-54.77	333.58	-0.15	-54.92
COC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1	REAL300007580749	0	39	-1.0	-49.64	325.24	2.99	-46.65
O=C([O-])COCCNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007580750	0	40	-1.0	-52.78	353.90	6.32	-46.46
COC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007580751	0	39	-1.0	-48.89	334.82	3.04	-45.85
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300007580752	0	37	-1.0	-51.63	315.63	3.39	-48.24
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007580753	0	34	-1.0	-56.15	305.99	2.76	-53.39
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCCOCC(=O)[O-])=C2	REAL300007580754	0	42	-1.0	-53.98	369.51	6.04	-47.94
CCN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007580755	0	34	-1.0	-64.11	319.70	3.09	-61.02
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007580756	0	36	-1.0	-52.68	340.61	2.89	-49.79
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007580757	0	43	-1.0	-52.26	380.94	5.48	-46.78
CCC(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580758	0	37	-1.0	-60.20	332.78	3.47	-56.73
O=C([O-])COCCNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007580759	0	39	-1.0	-55.50	355.67	3.76	-51.74
CC(C)CCN(CCC(C)C)S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580760	0	51	-1.0	-48.25	404.19	5.02	-43.23
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580761	0	37	-1.0	-58.92	346.77	-1.17	-60.09
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007580762	0	44	-1.0	-54.55	391.62	1.34	-53.21
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CC=C12	REAL300007580763	0	42	-1.0	-52.87	360.92	4.85	-48.02
CCOC1=CC=C(C)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580764	0	39	-1.0	-52.46	333.47	3.62	-48.84
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007580765	0	34	-1.0	-63.93	317.97	2.39	-61.54
O=C([O-])COCCNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007580766	0	36	-1.0	-52.97	330.25	3.32	-49.65
CCOCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580767	0	43	-1.0	-53.31	376.52	2.67	-50.64
CCCCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580768	0	45	-1.0	-49.97	385.55	4.79	-45.18
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007580769	0	39	-1.0	-50.14	325.34	4.89	-45.25
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007580770	0	35	-1.0	-54.47	318.06	4.01	-50.46
O=C([O-])COCCNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007580771	0	33	-1.0	-48.14	326.06	3.67	-44.47
O=C([O-])COCCNS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007580772	0	34	-1.0	-51.77	305.65	1.50	-50.27
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007580773	0	37	-1.0	-58.99	333.32	3.45	-55.54
O=C([O-])COCCNS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007580774	0	35	-1.0	-58.78	313.62	-1.34	-60.12
O=C([O-])COCCNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007580775	0	34	-1.0	-53.93	317.96	2.39	-51.54
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1	REAL300007580776	0	39	-1.0	-49.99	335.72	3.33	-46.66
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580777	0	37	-1.0	-54.63	346.31	-1.63	-56.26
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007580778	0	33	-1.0	-53.32	299.97	2.30	-51.02
CSC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580779	0	33	-1.0	-51.11	309.87	3.23	-47.88
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007580780	0	35	-1.0	-51.16	332.51	3.93	-47.23
CCN(CC1=CC=CC=C1)S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580781	0	40	-1.0	-50.55	339.60	3.98	-46.57
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007580782	0	35	-1.0	-53.29	304.13	1.76	-51.53
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007580783	0	34	-1.0	-52.30	305.80	2.67	-49.63
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007580784	0	41	-1.0	-52.78	363.41	4.19	-48.59
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(F)(F)F	REAL300007580785	0	35	-1.0	-48.71	324.11	3.73	-44.98
O=C([O-])COCCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007580786	0	35	-1.0	-50.07	342.52	2.94	-47.13
O=C([O-])COCCNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007580787	0	38	-1.0	-51.20	334.50	3.80	-47.40
CC1=NN(C)C2=NC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C12	REAL300007580788	0	37	-1.0	-54.44	336.00	1.93	-52.51
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCCOCC(=O)[O-]	REAL300007580789	0	36	-1.0	-52.62	338.34	2.80	-49.82
COCC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580790	0	36	-1.0	-52.16	324.76	1.93	-50.23
CC1(C)CC2=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C2O1	REAL300007580791	0	40	-1.0	-53.30	340.93	3.47	-49.83
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC=C1Cl	REAL300007580792	0	32	-1.0	-53.03	307.02	3.35	-49.68
O=C([O-])COCCNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007580793	0	41	-1.0	-61.40	366.28	0.71	-60.69
O=C([O-])COCCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007580794	0	36	-1.0	-51.17	339.44	2.70	-48.47
COC1=CC(OC)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Br	REAL300007580795	0	37	-1.0	-53.21	340.15	2.03	-51.18
O=C([O-])COCCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007580796	0	37	-1.0	-59.09	331.54	2.85	-56.24
O=C([O-])COCCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007580797	0	32	-1.0	-51.81	320.35	3.80	-48.01
CC1CC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C2O1	REAL300007580798	0	37	-1.0	-51.19	326.74	2.81	-48.38
CCC1=CC=CC(CC)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580799	0	41	-1.0	-48.42	326.69	5.37	-43.05
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580800	0	41	-1.0	-52.76	357.61	1.21	-51.55
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007580801	0	40	-1.0	-51.82	375.09	5.56	-46.26
O=C([O-])COCCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007580802	0	35	-1.0	-56.47	336.11	2.87	-53.60
O=C([O-])COCCNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007580803	0	35	-1.0	-49.78	352.84	3.39	-46.39
CC1=NC(C2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2)=CO1	REAL300007580804	0	38	-1.0	-56.73	346.08	1.28	-55.45
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007580805	0	32	-1.0	-58.06	309.17	1.15	-56.91
O=C([O-])COCCNS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007580806	0	32	-1.0	-53.26	295.74	0.87	-52.39
O=C([O-])COCCNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007580807	0	37	-1.0	-50.96	323.39	2.84	-48.12
CC1=CC=C(N2C=C(S(=O)(=O)NCCOCC(=O)[O-])C=N2)C=C1	REAL300007580808	0	39	-1.0	-55.01	351.66	3.99	-51.02
CC1CC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC(Cl)=C2O1	REAL300007580809	0	37	-1.0	-52.71	343.47	3.32	-49.39
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007580810	0	34	-1.0	-49.85	313.91	3.38	-46.47
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCCOCC(=O)[O-])C=N1	REAL300007580811	0	40	-1.0	-55.84	357.42	2.96	-52.88
O=C([O-])COCCNS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007580812	0	31	-1.0	-51.67	301.68	1.68	-49.99
CN(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580813	0	37	-1.0	-51.80	320.78	2.60	-49.20
CC1=CC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2C=C1	REAL300007580814	0	38	-1.0	-52.02	336.98	5.14	-46.88
CN(C)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580815	0	37	-1.0	-51.98	322.21	2.62	-49.36
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007580816	0	34	-1.0	-53.16	299.38	2.07	-51.09
O=C([O-])COCCNS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007580817	0	34	-1.0	-58.17	316.80	2.26	-55.91
O=C([O-])COCCNS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007580818	0	34	-1.0	-54.31	305.49	2.04	-52.27
O=C([O-])COCCNS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007580819	0	35	-1.0	-50.85	331.68	4.22	-46.63
CN1CCCC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C21	REAL300007580820	0	41	-1.0	-53.20	343.90	2.76	-50.44
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007580821	0	31	-1.0	-48.90	304.42	1.43	-47.47
COC1=CC=CC(OC)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580822	0	37	-1.0	-56.05	323.67	2.72	-53.33
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580823	0	37	-1.0	-53.54	328.31	4.29	-49.25
CC1=CC=C(C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1[N+](=O)[O-]	REAL300007580824	0	37	-1.0	-62.16	325.86	5.18	-56.98
CC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007580825	0	37	-1.0	-48.28	328.36	4.30	-43.98
COC1=CC=C(CCS(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580826	0	39	-1.0	-52.56	344.45	3.00	-49.56
CC(C)(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])S1	REAL300007580827	0	38	-1.0	-49.35	342.68	3.85	-45.50
COC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC(OC)=C1	REAL300007580828	0	37	-1.0	-53.08	328.67	0.81	-52.27
CC1=CC=C(CCS(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580829	0	38	-1.0	-51.03	336.35	4.38	-46.65
CC1=CC2=C(C=C1S(=O)(=O)NCCOCC(=O)[O-])OCO2	REAL300007580830	0	35	-1.0	-48.92	310.47	1.78	-47.14
COC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1Cl	REAL300007580831	0	33	-1.0	-49.67	315.23	2.06	-47.61
CN1C=NC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C21	REAL300007580832	0	35	-1.0	-59.77	317.96	3.55	-56.22
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007580833	0	37	-1.0	-59.83	318.10	3.73	-56.10
CC1=NC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2O1	REAL300007580834	0	34	-1.0	-54.14	313.33	-0.14	-54.28
CCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1CC	REAL300007580835	0	41	-1.0	-50.87	346.76	4.76	-46.11
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580836	0	37	-1.0	-48.67	320.61	4.22	-44.45
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580837	0	39	-1.0	-53.81	328.66	3.77	-50.04
NC1=NC=C(Cl)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580838	0	30	-1.0	-47.68	291.89	0.09	-47.59
CN(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=N1	REAL300007580839	0	36	-1.0	-51.65	318.46	2.02	-49.63
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007580840	0	35	-1.0	-53.33	301.23	3.47	-49.86
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007580841	0	32	-1.0	-52.08	290.03	0.77	-51.31
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC(C)=C1F	REAL300007580842	0	35	-1.0	-49.23	316.72	3.55	-45.68
O=C([O-])COCCNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007580843	0	36	-1.0	-53.07	325.69	1.96	-51.11
O=C([O-])COCCNS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007580844	0	42	-1.0	-52.72	370.47	3.76	-48.96
O=C([O-])COCCNS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007580845	0	33	-1.0	-61.22	308.12	2.26	-58.96
O=C([O-])COCCNS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007580846	0	31	-1.0	-54.27	294.02	1.97	-52.30
O=C([O-])COCCNS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007580847	0	32	-1.0	-50.61	310.18	3.43	-47.18
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1Cl	REAL300007580848	0	32	-1.0	-48.92	305.16	3.30	-45.62
O=C([O-])COCCNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007580849	0	35	-1.0	-54.15	317.80	3.19	-50.96
CC1=CSC(C2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2)=N1	REAL300007580850	0	38	-1.0	-51.37	355.93	3.68	-47.69
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007580851	0	37	-1.0	-53.07	313.04	3.39	-49.68
O=C([O-])COCCNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007580852	0	36	-1.0	-56.93	334.80	0.06	-56.87
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007580853	0	38	-1.0	-56.25	331.46	2.56	-53.69
O=C([O-])COCCNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007580854	0	32	-1.0	-50.40	313.32	3.41	-46.99
CCCCCCCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580855	0	54	-1.0	-49.90	450.04	7.14	-42.76
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580856	0	39	-1.0	-51.01	354.85	4.38	-46.63
CCC(C)OC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580857	0	42	-1.0	-53.58	359.72	3.87	-49.71
COC(CS(=O)(=O)NCCOCC(=O)[O-])C1CCCC1	REAL300007580858	0	42	-1.0	-50.98	347.04	2.52	-48.46
COC(CS(=O)(=O)NCCOCC(=O)[O-])C1CCCCC1	REAL300007580859	0	45	-1.0	-51.64	361.37	3.22	-48.42
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007580860	0	43	-1.0	-54.76	387.17	5.56	-49.20
CCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(C)C	REAL300007580861	0	48	-1.0	-49.88	401.15	5.26	-44.62
CCC1=NC(S(=O)(=O)NCCOCC(=O)[O-])=CN1CC1CC1	REAL300007580862	0	42	-1.0	-56.31	361.72	4.14	-52.17
O=C([O-])COCCNS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007580863	0	32	-1.0	-50.84	309.43	1.71	-49.13
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007580864	0	37	-1.0	-55.01	332.80	4.67	-50.34
CN1N=CC(C2CC2)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580865	0	36	-1.0	-50.07	316.25	2.09	-47.98
O=C([O-])COCCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007580866	0	42	-1.0	-51.10	370.66	4.53	-46.57
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580867	0	32	-1.0	-48.44	311.30	0.82	-47.62
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007580868	0	40	-1.0	-50.70	370.32	6.31	-44.39
O=C([O-])COCCNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007580869	0	39	-1.0	-55.29	335.77	5.62	-49.67
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007580870	0	49	-1.0	-52.16	425.03	7.11	-45.05
CCC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=C(C)C=C1OC	REAL300007580871	0	42	-1.0	-49.10	355.54	3.88	-45.22
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007580872	0	35	-1.0	-48.80	340.91	4.08	-44.72
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCCOCC(=O)[O-])=N1	REAL300007580873	1	31	-1.0	-59.42	296.79	1.20	-58.22
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300007580874	0	38	-1.0	-51.65	320.42	5.28	-46.37
CC(C)OC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=N1	REAL300007580875	0	38	-1.0	-51.22	338.86	0.76	-50.46
COC1=C(F)C=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580876	0	33	-1.0	-50.32	294.33	2.31	-48.01
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(C)C	REAL300007580877	0	45	-1.0	-50.17	379.65	4.46	-45.71
CC(C)(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1F	REAL300007580878	0	41	-1.0	-48.62	347.92	4.47	-44.15
O=C([O-])COCCNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007580879	0	48	-1.0	-51.18	395.30	6.72	-44.46
CN1N=C2CCCCC2=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580880	0	39	-1.0	-51.18	328.66	2.24	-48.94
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C(C)(C)C)=N1	REAL300007580881	0	41	-1.0	-49.77	340.33	2.48	-47.29
O=C([O-])COCCNS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007580882	0	39	-1.0	-50.95	337.09	2.56	-48.39
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580883	0	32	-1.0	-47.31	295.92	0.79	-46.52
COC1=CC=C(F)C=C1CS(=O)(=O)NCCOCC(=O)[O-]	REAL300007580884	0	36	-1.0	-53.15	328.03	2.35	-50.80
C=CCCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580885	0	39	-1.0	-50.31	346.88	4.99	-45.32
CCCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(C)C	REAL300007580886	0	51	-1.0	-50.80	422.65	6.04	-44.76
O=C([O-])COCCNS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007580887	0	33	-1.0	-50.16	318.32	3.90	-46.26
CCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(C)(C)C	REAL300007580888	0	51	-1.0	-49.86	413.71	5.92	-43.94
CCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1CC	REAL300007580889	0	45	-1.0	-50.93	384.24	4.72	-46.21
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580890	0	35	-1.0	-47.75	312.52	4.21	-43.54
CC1=CC(Br)=CC=C1CS(=O)(=O)NCCOCC(=O)[O-]	REAL300007580891	0	35	-1.0	-49.89	330.54	4.10	-45.79
O=C([O-])COCCNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007580892	0	33	-1.0	-51.93	315.83	3.81	-48.12
CCCC1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580893	0	38	-1.0	-48.97	322.52	4.75	-44.22
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580894	0	45	-1.0	-54.80	384.24	4.97	-49.83
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007580895	0	34	-1.0	-58.69	305.83	2.76	-55.93
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2)C=C1	REAL300007580896	0	44	-1.0	-51.21	398.54	6.07	-45.14
O=C([O-])COCCNS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007580897	0	36	-1.0	-51.13	319.58	1.89	-49.24
O=C([O-])COCCNS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007580898	0	36	-1.0	-50.82	312.02	1.82	-49.00
O=C([O-])COCCNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007580899	0	39	-1.0	-50.24	329.12	2.56	-47.68
CC1(C)COC2=C(S(=O)(=O)NCCOCC(=O)[O-])C=NN2C1	REAL300007580900	0	40	-1.0	-54.01	340.60	0.26	-53.75
O=C([O-])COCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007580901	0	35	-1.0	-52.11	336.53	3.11	-49.00
O=C([O-])COCCNS(=O)(=O)C1=CN=C2CCCCN12	REAL300007580902	0	36	-1.0	-54.44	310.64	2.17	-52.27
CCCCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(C)C	REAL300007580903	0	54	-1.0	-49.81	444.15	6.82	-42.99
COC1=CC(C(C)C)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007580904	0	45	-1.0	-49.03	373.14	4.33	-44.70
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580905	0	39	-1.0	-51.70	334.51	3.55	-48.15
CCOCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(C)C	REAL300007580906	0	52	-1.0	-52.54	435.13	4.68	-47.86
CC1CC2=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C2O1	REAL300007580907	0	37	-1.0	-53.20	316.93	2.71	-50.49
CC(C)(C)C1=NC=C(S(=O)(=O)NCCOCC(=O)[O-])S1	REAL300007580908	0	37	-1.0	-50.66	338.36	1.87	-48.79
O=C([O-])COCCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007580909	0	35	-1.0	-53.55	323.36	2.83	-50.72
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580910	0	34	-1.0	-59.83	310.38	1.81	-58.02
O=C([O-])COCCNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007580911	0	33	-1.0	-51.87	317.67	2.45	-49.42
O=C([O-])COCCNS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007580912	0	30	-1.0	-48.33	284.57	0.99	-47.34
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007580913	0	32	-1.0	-50.97	308.54	3.63	-47.34
CN1N=C(C2CC2)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580914	0	36	-1.0	-51.20	320.61	1.98	-49.22
CC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1F	REAL300007580915	0	38	-1.0	-48.28	317.82	4.22	-44.06
COC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1OC	REAL300007580916	0	37	-1.0	-52.18	317.33	2.00	-50.18
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C2CCCC2)=N1	REAL300007580917	0	42	-1.0	-52.76	344.02	2.48	-50.28
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580918	0	41	-1.0	-54.15	348.86	2.81	-51.34
CCCCN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=N1	REAL300007580919	0	41	-1.0	-53.39	359.21	2.89	-50.50
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C2CC2)=N1	REAL300007580920	0	36	-1.0	-53.41	313.32	1.58	-51.83
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007580921	0	33	-1.0	-51.93	308.94	1.79	-50.14
CN1N=NC2=C(S(=O)(=O)NCCOCC(=O)[O-])C=CC=C21	REAL300007580922	0	34	-1.0	-57.85	308.05	0.62	-57.23
CC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Br	REAL300007580923	0	35	-1.0	-47.41	323.89	4.29	-43.12
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007580924	0	35	-1.0	-50.59	337.90	3.34	-47.25
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C2CCC2)=N1	REAL300007580925	0	39	-1.0	-52.81	327.04	1.98	-50.83
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580926	0	47	-1.0	-48.73	383.84	6.22	-42.51
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007580927	0	35	-1.0	-51.83	340.90	4.08	-47.75
O=C([O-])COCCNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007580928	0	39	-1.0	-55.04	343.66	2.84	-52.20
O=C([O-])COCCNS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007580929	0	33	-1.0	-51.13	301.27	3.18	-47.95
O=C([O-])COCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007580930	0	40	-1.0	-51.31	359.46	5.02	-46.29
COC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007580931	0	38	-1.0	-60.23	335.12	3.42	-56.81
CCCC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580932	0	38	-1.0	-50.72	334.08	4.42	-46.30
CN1N=C2CCCC2=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580933	0	36	-1.0	-52.40	314.38	1.76	-50.64
CC(C)(C)N1N=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580934	0	38	-1.0	-49.53	318.34	1.87	-47.66
CC(C)(C)N1C=C(S(=O)(=O)NCCOCC(=O)[O-])C=N1	REAL300007580935	0	38	-1.0	-54.13	334.18	1.91	-52.22
O=C([O-])COCCNS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007580936	0	36	-1.0	-52.47	319.15	1.26	-51.21
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CN=C1C(F)(F)F	REAL300007580937	0	34	-1.0	-51.53	320.61	2.02	-49.51
O=C([O-])COCCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007580938	0	32	-1.0	-48.40	314.83	3.28	-45.12
CCCC(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580939	0	40	-1.0	-59.99	354.27	4.24	-55.75
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007580940	0	40	-1.0	-50.45	338.36	5.28	-45.17
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007580941	0	35	-1.0	-50.17	332.10	3.25	-46.92
O=C([O-])COCCNS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007580942	0	35	-1.0	-50.27	312.13	2.65	-47.62
O=C([O-])COCCNS(=O)(=O)CC1=NOC2=C1COCC2	REAL300007580943	0	36	-1.0	-56.14	322.74	0.54	-55.60
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580944	0	39	-1.0	-50.29	365.88	2.98	-47.31
O=C([O-])COCCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007580945	0	29	-1.0	-53.56	288.96	2.60	-50.96
O=C([O-])COCCNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007580946	0	39	-1.0	-53.15	335.67	2.62	-50.53
CCC(C)N1N=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580947	0	38	-1.0	-50.03	329.64	2.10	-47.93
CN(C1CCCCCC1)S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580948	0	43	-1.0	-49.45	340.33	3.20	-46.25
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C2CCOCC2)=N1	REAL300007580949	0	43	-1.0	-52.92	368.18	1.33	-51.59
CC(F)(F)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580950	0	35	-1.0	-53.50	322.90	3.74	-49.76
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007580951	0	33	-1.0	-53.11	308.94	1.79	-51.32
O=C([O-])COCCNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007580952	0	44	-1.0	-49.38	365.20	4.87	-44.51
CC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C2=NC=CC=C12	REAL300007580953	0	40	-1.0	-55.77	341.14	4.56	-51.21
O=C([O-])COCCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007580954	0	37	-1.0	-51.27	323.31	2.20	-49.07
CCOCC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580955	0	39	-1.0	-52.13	346.61	2.89	-49.24
O=C([O-])COCCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007580956	0	32	-1.0	-51.95	328.97	4.21	-47.74
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580957	0	39	-1.0	-52.39	349.37	3.39	-49.00
O=C([O-])COCCNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007580958	0	42	-1.0	-50.73	356.08	3.15	-47.58
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007580959	0	40	-1.0	-50.72	358.38	5.05	-45.67
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC(C)=C1Br	REAL300007580960	0	35	-1.0	-49.18	327.38	3.95	-45.23
O=C([O-])COCCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007580961	0	32	-1.0	-51.95	328.97	4.21	-47.74
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CC=C12	REAL300007580962	0	38	-1.0	-53.66	328.43	5.09	-48.57
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007580963	0	39	-1.0	-53.37	336.94	3.11	-50.26
O=C([O-])COCCNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007580964	0	33	-1.0	-50.03	308.00	3.45	-46.58
O=C([O-])COCCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007580965	0	33	-1.0	-50.11	322.88	4.00	-46.11
O=C([O-])COCCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007580966	0	33	-1.0	-49.61	322.88	4.01	-45.60
O=C([O-])COCCNS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007580967	0	34	-1.0	-57.55	312.88	-3.85	-61.40
O=C([O-])COCCNS(=O)(=O)C1CCC(F)(F)CC1	REAL300007580968	0	35	-1.0	-51.73	306.27	2.70	-49.03
O=C([O-])COCCNS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007580969	0	31	-1.0	-54.86	300.64	1.60	-53.26
CC1=NC(S(=O)(=O)NCCOCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007580970	0	38	-1.0	-53.42	343.55	1.39	-52.03
O=C([O-])COCCNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007580971	0	46	-1.0	-49.83	346.69	5.08	-44.75
O=C([O-])COCCNS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007580972	0	32	-1.0	-57.26	300.67	-2.12	-59.38
CC(C)(CS(=O)(=O)NCCOCC(=O)[O-])C(C)(F)F	REAL300007580973	0	37	-1.0	-50.77	308.68	2.66	-48.11
CS(=O)(=O)CCCCS(=O)(=O)NCCOCC(=O)[O-]	REAL300007580974	0	37	-1.0	-61.62	340.17	-1.00	-62.62
CC1(C)CCC(CS(=O)(=O)NCCOCC(=O)[O-])OC1	REAL300007580975	0	42	-1.0	-52.53	343.95	2.56	-49.97
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007580976	0	33	-1.0	-54.14	317.67	1.23	-52.91
O=C([O-])COCCNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007580977	0	39	-1.0	-53.62	352.98	5.09	-48.53
O=C([O-])COCCNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007580978	0	38	-1.0	-52.42	323.74	-0.36	-52.78
O=C([O-])COCCNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007580979	0	42	-1.0	-49.79	337.25	4.20	-45.59
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007580980	0	33	-1.0	-49.54	313.51	3.51	-46.03
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C21	REAL300007580981	0	51	-1.0	-50.35	399.27	6.38	-43.97
COC1=CC=C(C=C(C)S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007580982	0	40	-1.0	-51.04	343.02	3.08	-47.96
COC1=CSC(S(=O)(=O)NCCOCC(=O)[O-])=C1OC	REAL300007580983	0	34	-1.0	-51.92	318.46	0.07	-51.85
O=C([O-])COCCNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007580984	0	41	-1.0	-48.80	330.14	2.66	-46.14
CN(CCC1=CC=CC=C1)S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580985	0	40	-1.0	-51.60	349.96	4.10	-47.50
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007580986	0	33	-1.0	-52.99	318.38	3.00	-49.99
COC1=CC(F)=C(S(=O)(=O)NCCOCC(=O)[O-])C(F)=C1	REAL300007580987	0	33	-1.0	-52.04	307.68	1.77	-50.27
O=C([O-])COCCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007580988	0	33	-1.0	-51.10	315.18	1.85	-49.25
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580989	0	35	-1.0	-52.50	314.10	2.15	-50.35
CN1C=CC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C21	REAL300007580990	0	36	-1.0	-54.01	323.40	3.97	-50.04
O=C([O-])COCCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007580991	0	38	-1.0	-49.87	348.56	2.69	-47.18
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580992	0	42	-1.0	-53.19	363.48	4.62	-48.57
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007580993	0	40	-1.0	-51.19	360.11	5.12	-46.07
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007580994	0	35	-1.0	-55.69	306.52	4.22	-51.47
O=C([O-])COCCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007580995	0	30	-1.0	-51.34	304.85	1.07	-50.27
C=C(C)COC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007580996	0	40	-1.0	-54.23	353.36	3.83	-50.40
CCN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C2CC2)=N1	REAL300007580997	0	39	-1.0	-53.13	334.85	2.45	-50.68
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=NSN=C2C=C1	REAL300007580998	0	33	-1.0	-51.84	307.70	1.59	-50.25
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007580999	0	35	-1.0	-50.16	332.33	4.98	-45.18
O=C([O-])COCCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007581000	0	39	-1.0	-50.29	360.61	6.14	-44.15
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595987	0	36	-1.0	-60.39	297.68	5.55	-54.84
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595988	0	43	-1.0	-61.77	351.97	5.86	-55.91
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2C(=O)[O-])C=C1C	REAL300007595989	0	43	-1.0	-58.79	351.54	2.76	-56.03
O=C([O-])C1CCCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007595990	0	50	-1.0	-51.62	345.80	7.09	-44.53
CC1=NC2=C(S(=O)(=O)N3CCCCC3C(=O)[O-])C=CC=C2C=C1	REAL300007595991	0	40	-1.0	-59.25	322.68	6.55	-52.70
O=C([O-])C1CCCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007595992	0	40	-1.0	-66.11	324.42	7.66	-58.45
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007595993	0	43	-1.0	-56.59	338.09	4.18	-52.41
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595994	0	46	-1.0	-57.90	377.28	6.64	-51.26
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595995	0	46	-1.0	-55.61	379.14	6.62	-48.99
CCCN1C=NC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007595996	0	38	-1.0	-64.93	309.00	7.10	-57.83
COCCOCCOCCS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595997	0	46	-1.0	-54.07	371.35	3.02	-51.05
CC(COC1CCCC1)CS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007595998	0	48	-1.0	-53.15	363.68	7.04	-46.11
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCCC2C(=O)[O-])=C1	REAL300007595999	0	39	-1.0	-52.71	329.23	6.00	-46.71
O=C([O-])C1CCCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007596000	0	40	-1.0	-55.17	318.20	3.33	-51.84
COC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596583	0	36	-1.0	-44.83	295.50	3.54	-41.29
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596584	0	43	-1.0	-66.22	351.68	4.28	-61.94
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300007596585	0	43	-1.0	-60.09	354.69	1.24	-58.85
O=C([O-])C1(NS(=O)(=O)N2CCC3(CCCCC3)CC2)CCCC1	REAL300007596586	0	50	-1.0	-57.67	338.87	5.62	-52.05
CC1=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=CC=C2C=C1	REAL300007596587	0	40	-1.0	-50.20	322.37	4.93	-45.27
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CCCC1	REAL300007596588	0	40	-1.0	-64.77	326.11	5.74	-59.03
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)CCCC1	REAL300007596589	0	43	-1.0	-58.22	340.86	2.72	-55.50
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596590	0	46	-1.0	-44.06	382.90	5.21	-38.85
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596591	0	46	-1.0	-63.46	377.90	5.36	-58.10
CCCN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596592	0	38	-1.0	-52.41	308.25	5.57	-46.84
COCCOCCOCCS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596593	0	46	-1.0	-60.36	369.08	1.38	-58.98
CC(COC1CCCC1)CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596594	0	48	-1.0	-60.95	361.73	5.35	-55.60
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596595	0	39	-1.0	-55.52	331.91	4.59	-50.93
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)CCCC1	REAL300007596596	0	40	-1.0	-57.94	321.72	1.94	-56.00
COC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596597	0	36	-1.0	-55.95	314.14	4.18	-51.77
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CCCC1	REAL300007596598	0	36	-1.0	-43.81	305.31	4.14	-39.67
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1[N+](=O)[O-]	REAL300007596599	0	38	-1.0	-53.20	318.87	5.02	-48.18
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596600	0	38	-1.0	-41.66	317.11	5.63	-36.03
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596601	0	38	-1.0	-60.87	314.65	5.90	-54.97
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1C(F)(F)F	REAL300007596602	0	38	-1.0	-53.44	317.77	5.66	-47.78
CC(C)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596603	0	41	-1.0	-62.38	313.26	6.24	-56.14
O=C([O-])C1(NS(=O)(=O)CCCN2CCOCC2)CCCC1	REAL300007596604	0	44	-1.0	-61.51	334.28	1.04	-60.47
CCOC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596605	0	39	-1.0	-62.56	314.71	4.50	-58.06
COCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300007596606	0	39	-1.0	-58.86	323.47	1.71	-57.15
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CCCC1	REAL300007596607	0	39	-1.0	-59.97	327.71	4.82	-55.15
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1C	REAL300007596608	0	59	-1.0	-58.94	450.07	8.67	-50.27
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CCCC1	REAL300007596609	0	40	-1.0	-61.62	334.08	6.24	-55.38
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)CCCC1	REAL300007596610	0	37	-1.0	-56.01	304.59	4.62	-51.39
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Br)=C2)CCCC1	REAL300007596611	0	35	-1.0	-60.67	308.29	5.61	-55.06
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2Br)CCCC1	REAL300007596612	0	35	-1.0	-57.73	303.65	5.57	-52.16
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CCCC1	REAL300007596613	0	39	-1.0	-81.19	327.97	2.02	-79.17
CC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596614	0	35	-1.0	-57.85	306.05	5.42	-52.43
CC1=C(Br)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596615	0	35	-1.0	-39.45	292.55	4.95	-34.50
COCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596616	0	39	-1.0	-42.76	306.20	3.78	-38.98
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1Br	REAL300007596617	0	36	-1.0	-53.31	313.26	4.11	-49.20
COC1=CC(OC)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300007596618	0	40	-1.0	-45.58	333.30	3.74	-41.84
O=C([O-])C1(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CCCC1	REAL300007596619	0	35	-1.0	-62.57	307.66	3.24	-59.33
O=C([O-])C1(NS(=O)(=O)C2=CN(CC(F)F)N=C2)CCCC1	REAL300007596620	0	35	-1.0	-59.67	302.79	2.95	-56.72
CC1(C)CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C2O1	REAL300007596621	0	43	-1.0	-57.30	340.80	5.39	-51.91
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CCCC1	REAL300007596622	0	35	-1.0	-40.65	300.10	2.82	-37.83
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596623	0	43	-1.0	-60.49	312.57	2.17	-58.32
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596624	0	44	-1.0	-61.16	367.01	3.35	-57.81
CSC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596625	0	36	-1.0	-43.82	295.28	4.76	-39.06
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300007596626	0	40	-1.0	-58.79	342.19	1.18	-57.61
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596627	0	46	-1.0	-58.59	382.49	1.93	-56.66
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596628	0	43	-1.0	-70.30	343.24	4.48	-65.82
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300007596629	0	43	-1.0	-57.57	363.65	2.08	-55.49
CCC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596630	0	41	-1.0	-61.45	327.83	6.12	-55.33
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CS2)CCCC1	REAL300007596631	0	35	-1.0	-59.11	296.09	4.66	-54.45
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CCCC1	REAL300007596632	0	47	-1.0	-62.75	377.10	4.57	-58.18
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CCCC1	REAL300007596633	0	44	-1.0	-70.26	353.50	3.59	-66.67
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596634	0	41	-1.0	-68.05	345.53	2.68	-65.37
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596635	0	42	-1.0	-72.13	351.78	1.48	-70.65
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300007596636	0	41	-1.0	-61.02	325.41	6.20	-54.82
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Br	REAL300007596637	0	39	-1.0	-58.73	335.11	5.16	-53.57
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C1=CC=CC=C1	REAL300007596638	0	46	-1.0	-61.75	371.53	7.33	-54.42
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CCCC1	REAL300007596639	0	36	-1.0	-43.07	315.64	4.59	-38.48
COC1=CC=C(Br)C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596640	0	39	-1.0	-57.96	333.19	4.84	-53.12
CC1(C)CN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)CCO1	REAL300007596641	0	41	-1.0	-56.22	308.41	2.74	-53.48
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2S1	REAL300007596642	0	46	-1.0	-56.23	376.33	6.08	-50.15
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596643	0	39	-1.0	-61.42	330.53	5.11	-56.31
CC(C)N1N=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300007596644	0	44	-1.0	-57.59	354.03	5.68	-51.91
CCS(=O)(=O)NCCS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596645	0	39	-1.0	-64.01	324.46	-1.18	-65.19
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)OC2=CC=C(F)C=C12	REAL300007596646	0	38	-1.0	-47.79	316.12	5.62	-42.17
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CCCC1	REAL300007596647	0	35	-1.0	-56.31	317.74	6.24	-50.07
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC(Cl)=CC=C2S1	REAL300007596648	0	38	-1.0	-59.50	326.10	6.81	-52.69
O=C([O-])C1(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CCCC1	REAL300007596649	0	35	-1.0	-39.99	313.13	5.48	-34.51
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CCCC1	REAL300007596650	0	38	-1.0	-44.04	317.61	6.53	-37.51
O=C([O-])C1(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CCCC1	REAL300007596651	0	38	-1.0	-59.77	324.33	5.92	-53.85
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)CCCC1	REAL300007596652	0	43	-1.0	-60.72	341.75	5.41	-55.31
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CCCC1	REAL300007596653	0	46	-1.0	-61.77	377.04	7.56	-54.21
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596654	0	45	-1.0	-61.55	369.88	5.80	-55.75
O=C([O-])C1(NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)CCCC1	REAL300007596655	0	43	-1.0	-64.12	360.61	1.13	-62.99
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC(C)=C2S1	REAL300007596656	0	41	-1.0	-59.27	330.11	6.92	-52.35
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1N(C)C	REAL300007596657	0	43	-1.0	-57.13	337.95	4.92	-52.21
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2Br)CCCC1	REAL300007596658	0	38	-1.0	-60.81	321.97	6.00	-54.81
O=C([O-])C1(NS(=O)(=O)C2=C3OCCCN3N=C2)CCCC1	REAL300007596659	0	37	-1.0	-62.25	301.68	1.16	-61.09
O=C([O-])C1(NS(=O)(=O)CCOCC2CCCC2)CCCC1	REAL300007596660	0	45	-1.0	-56.70	345.34	4.53	-52.17
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300007596661	0	39	-1.0	-60.70	321.31	4.75	-55.95
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596662	0	41	-1.0	-73.87	347.69	2.51	-71.36
CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300007596663	0	36	-1.0	-54.16	318.56	5.74	-48.42
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596664	0	44	-1.0	-53.95	341.85	4.62	-49.33
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CCCC1	REAL300007596665	0	40	-1.0	-49.51	334.51	2.70	-46.81
CCC1=NOC2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C12	REAL300007596666	0	39	-1.0	-50.86	324.62	1.98	-48.88
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)CCCC1	REAL300007596667	0	43	-1.0	-51.18	359.92	3.97	-47.21
CN1N=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CN=C21	REAL300007596668	0	37	-1.0	-57.53	307.70	3.18	-54.35
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)CCCC1	REAL300007596669	0	38	-1.0	-56.34	329.40	7.19	-49.15
CCC1=CC(CC)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(CC)=C1	REAL300007596670	0	50	-1.0	-56.61	365.34	8.94	-47.67
O=C([O-])C1(NS(=O)(=O)C2=CN3CCCCC3=N2)CCCC1	REAL300007596671	0	39	-1.0	-56.25	306.70	4.80	-51.45
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCCC1	REAL300007596672	0	38	-1.0	-53.27	331.97	2.35	-50.92
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CCCC1	REAL300007596673	0	41	-1.0	-70.84	327.49	7.87	-62.97
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1F	REAL300007596674	0	39	-1.0	-54.42	310.26	4.24	-50.18
CC1(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)CCCCC1	REAL300007596675	0	44	-1.0	-41.72	312.96	5.23	-36.49
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)CCCC1	REAL300007596676	0	41	-1.0	-59.25	321.13	5.58	-53.67
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CCCC1	REAL300007596678	0	40	-1.0	-54.27	332.81	5.45	-48.82
COCC1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596679	0	39	-1.0	-58.15	335.15	4.49	-53.66
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)C(F)=C1	REAL300007596680	0	38	-1.0	-64.31	311.01	5.49	-58.82
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)CCCC1	REAL300007596682	0	32	-1.0	-54.69	294.24	4.48	-50.21
O=C([O-])C1(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)CCCC1	REAL300007596683	0	45	-1.0	-63.99	347.87	7.30	-56.69
CC(C)(C)C1=CC(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)=NO1	REAL300007596684	0	43	-1.0	-64.16	342.49	4.79	-59.37
O=C([O-])C1(NS(=O)(=O)CC2CCCS(=O)(=O)C2)CCCC1	REAL300007596685	0	41	-1.0	-47.30	325.31	0.88	-46.42
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCCC1	REAL300007596686	0	35	-1.0	-57.16	300.28	4.98	-52.18
CC1=C(CCS(=O)(=O)NC2(C(=O)[O-])CCCC2)SC=N1	REAL300007596687	0	37	-1.0	-59.17	309.83	3.31	-55.86
O=C([O-])C1(NS(=O)(=O)CC23CCC(CC2)C3)CCCC1	REAL300007596688	0	42	-1.0	-42.43	307.50	5.21	-37.22
COC1=CC=C2C=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)CCC2=C1	REAL300007596689	0	44	-1.0	-57.78	344.89	5.95	-51.83
O=C([O-])C1(NS(=O)(=O)CC23CCC(CC2)CC3)CCCC1	REAL300007596690	0	45	-1.0	-42.38	320.55	5.74	-36.64
CC(C)(CCS(=O)(=O)NC1(C(=O)[O-])CCCC1)S(C)(=O)=O	REAL300007596691	0	43	-1.0	-67.52	333.85	1.18	-66.34
O=C([O-])C1(NS(=O)(=O)CC2CCCCC2(F)F)CCCC1	REAL300007596692	0	41	-1.0	-57.19	315.15	5.48	-51.71
O=C([O-])C1(NS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CCCC1	REAL300007596693	0	39	-1.0	-43.47	311.15	5.94	-37.53
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1[N+](=O)[O-]	REAL300007596694	0	40	-1.0	-52.21	324.53	6.11	-46.10
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2)CCCC1	REAL300007596695	0	32	-1.0	-54.86	280.08	4.79	-50.07
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C=C2)CCCC1	REAL300007596696	0	32	-1.0	-54.70	284.65	4.90	-49.80
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CCCC1	REAL300007596697	0	34	-1.0	-52.02	291.56	4.81	-47.21
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CCCC1	REAL300007596698	0	38	-1.0	-59.41	308.21	6.59	-52.82
O=C([O-])C1(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CCCC1	REAL300007596699	0	34	-1.0	-53.95	291.57	4.94	-49.01
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596700	0	37	-1.0	-41.51	302.18	5.05	-36.46
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCCC1	REAL300007596701	0	34	-1.0	-61.94	281.40	5.78	-56.16
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596702	0	39	-1.0	-46.28	333.61	5.05	-41.23
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596703	0	39	-1.0	-57.91	314.70	4.49	-53.42
CC1=CC(C)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1C	REAL300007596704	0	44	-1.0	-56.19	322.38	6.79	-49.40
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1	REAL300007596705	0	41	-1.0	-58.64	314.97	6.81	-51.83
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596706	0	47	-1.0	-61.56	351.78	7.21	-54.35
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300007596707	0	35	-1.0	-59.64	302.42	5.28	-54.36
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)CCCC1	REAL300007596708	0	35	-1.0	-58.95	286.94	5.85	-53.10
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2)CCCC1	REAL300007596709	0	32	-1.0	-58.72	280.08	4.78	-53.94
CC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596710	0	37	-1.0	-62.12	304.59	4.68	-57.44
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1[N+](=O)[O-]	REAL300007596711	0	38	-1.0	-54.57	318.86	5.02	-49.55
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596712	0	44	-1.0	-58.19	339.55	6.46	-51.73
CC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596713	0	41	-1.0	-58.21	323.58	6.20	-52.01
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596714	0	43	-1.0	-58.95	358.92	2.14	-56.81
CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596715	0	41	-1.0	-58.24	327.74	6.36	-51.88
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Br	REAL300007596716	0	36	-1.0	-54.76	313.26	4.24	-50.52
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1Br	REAL300007596717	0	35	-1.0	-54.80	302.85	5.46	-49.34
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2)=C1	REAL300007596718	0	46	-1.0	-55.79	373.36	7.88	-47.91
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CCCC1	REAL300007596719	0	36	-1.0	-55.14	309.34	4.06	-51.08
CC1=C(C)C(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1C	REAL300007596720	0	47	-1.0	-59.02	337.65	7.38	-51.64
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)CCCC1	REAL300007596721	0	41	-1.0	-55.84	326.17	4.21	-51.63
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596722	0	48	-1.0	-45.78	364.69	6.34	-39.44
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1[N+](=O)[O-]	REAL300007596723	0	37	-1.0	-66.05	306.78	5.48	-60.57
COC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596724	0	36	-1.0	-43.81	310.40	4.10	-39.71
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596725	0	50	-1.0	-56.88	366.46	8.13	-48.75
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CCCC1	REAL300007596726	0	35	-1.0	-54.13	302.08	5.27	-48.86
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCCCC3=C2)CCCC1	REAL300007596727	0	42	-1.0	-58.61	326.07	6.75	-51.86
COC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596728	0	40	-1.0	-48.16	319.87	2.97	-45.19
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1OC	REAL300007596729	0	40	-1.0	-59.06	322.07	3.48	-55.58
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCCC3=C2)CCCC1	REAL300007596730	0	39	-1.0	-59.77	308.90	6.18	-53.59
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)CCCC1	REAL300007596731	0	40	-1.0	-58.38	315.37	6.65	-51.73
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCC3=C2)CCCC1	REAL300007596732	0	37	-1.0	-57.75	299.28	4.12	-53.63
CC(C)CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596733	0	47	-1.0	-58.23	366.80	7.64	-50.59
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1OCC	REAL300007596734	0	46	-1.0	-58.91	365.79	5.32	-53.59
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596735	0	37	-1.0	-60.28	317.53	-0.90	-61.18
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC([N+](=O)[O-])=C1C	REAL300007596736	0	40	-1.0	-52.64	326.77	6.13	-46.51
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1C	REAL300007596737	0	40	-1.0	-64.99	325.03	6.35	-58.64
CC1=CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=C2N=C1	REAL300007596738	0	40	-1.0	-64.88	325.59	5.59	-59.29
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C([N+](=O)[O-])=C1	REAL300007596739	0	38	-1.0	-57.56	310.81	5.07	-52.49
COC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596740	0	36	-1.0	-41.74	307.12	4.17	-37.57
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596741	0	37	-1.0	-67.20	317.54	-0.77	-67.97
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)CCCC1	REAL300007596742	0	44	-1.0	-59.68	372.36	2.12	-57.56
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596743	0	40	-1.0	-57.84	332.58	6.23	-51.61
O=C([O-])C1(NS(=O)(=O)N2CCC3=CC=CC=C3C2)CCCC1	REAL300007596744	0	41	-1.0	-56.71	310.85	5.21	-51.50
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CN=C12	REAL300007596745	0	40	-1.0	-46.74	316.15	4.95	-41.79
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300007596746	0	40	-1.0	-60.76	316.18	6.78	-53.98
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596747	0	43	-1.0	-65.40	358.11	2.31	-63.09
O=C([O-])C1(NS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)CCCC1	REAL300007596748	0	44	-1.0	-60.22	348.93	3.53	-56.69
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596749	0	38	-1.0	-68.48	324.06	1.78	-66.70
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CCCC1	REAL300007596750	0	42	-1.0	-52.22	336.01	7.74	-44.48
CC1CC(C)CN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300007596751	0	43	-1.0	-58.29	312.15	4.28	-54.01
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=CC=C32)CCCC1	REAL300007596752	0	38	-1.0	-45.77	301.79	6.01	-39.76
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CCCC1	REAL300007596753	0	42	-1.0	-58.73	337.53	7.68	-51.05
CC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596754	0	35	-1.0	-60.90	281.98	4.96	-55.94
CN(C)C1=CC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=CC=C12	REAL300007596755	0	46	-1.0	-45.96	354.30	5.86	-40.10
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NSN=C32)CCCC1	REAL300007596756	0	33	-1.0	-58.49	289.20	2.62	-55.87
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596757	0	36	-1.0	-43.85	305.83	3.99	-39.86
CCC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596758	0	47	-1.0	-58.08	353.78	7.06	-51.02
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300007596759	0	35	-1.0	-59.19	298.81	5.25	-53.94
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596760	0	42	-1.0	-56.45	331.79	5.15	-51.30
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Cl)=C2)CCCC1	REAL300007596761	0	35	-1.0	-60.74	303.72	5.50	-55.24
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NON=C32)CCCC1	REAL300007596762	0	33	-1.0	-55.16	280.02	3.06	-52.10
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CCCC1	REAL300007596763	0	37	-1.0	-52.91	320.08	6.78	-46.13
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=CN=C32)CCCC1	REAL300007596764	0	37	-1.0	-49.46	301.86	4.21	-45.25
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)CCCC1	REAL300007596765	0	43	-1.0	-58.15	368.58	7.72	-50.43
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596766	0	38	-1.0	-39.95	318.59	4.33	-35.62
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300007596767	0	36	-1.0	-54.67	299.06	3.63	-51.04
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300007596768	0	35	-1.0	-60.55	290.07	4.84	-55.71
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCCC1	REAL300007596769	0	43	-1.0	-56.50	368.18	7.66	-48.84
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2)C=C1	REAL300007596770	0	47	-1.0	-58.38	380.95	6.42	-51.96
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C(C)C)=C1	REAL300007596771	0	59	-1.0	-60.61	415.99	9.96	-50.65
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C12	REAL300007596772	0	48	-1.0	-47.61	369.37	6.94	-40.67
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CCCC1	REAL300007596773	0	35	-1.0	-55.37	318.91	5.96	-49.41
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C12	REAL300007596774	0	42	-1.0	-47.02	330.09	5.36	-41.66
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596775	0	37	-1.0	-41.13	306.26	5.28	-35.85
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596776	0	37	-1.0	-41.25	300.01	5.12	-36.13
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596777	0	40	-1.0	-65.62	321.85	6.69	-58.93
CC(C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596778	0	44	-1.0	-58.33	344.50	6.96	-51.37
COCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596779	0	42	-1.0	-58.18	339.91	4.65	-53.53
COCCN(CCOC)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596780	0	44	-1.0	-66.79	332.47	1.82	-64.97
CC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596781	0	35	-1.0	-59.80	292.31	5.41	-54.39
COC1=C(C)C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300007596782	0	42	-1.0	-56.91	336.93	5.04	-51.87
CC(C)CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596783	0	48	-1.0	-57.24	375.26	6.60	-50.64
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CCCC1	REAL300007596784	0	46	-1.0	-56.29	357.28	6.51	-49.78
CC(C)COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596785	0	45	-1.0	-57.56	356.30	5.99	-51.57
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596786	0	42	-1.0	-56.67	336.19	5.30	-51.37
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300007596787	0	36	-1.0	-54.73	308.87	4.13	-50.60
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CCCC1	REAL300007596788	0	36	-1.0	-57.27	318.62	4.39	-52.88
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300007596789	0	39	-1.0	-57.01	312.90	4.18	-52.83
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1OC(C)C	REAL300007596790	0	45	-1.0	-56.66	352.46	5.93	-50.73
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1	REAL300007596791	0	39	-1.0	-45.68	307.51	3.92	-41.76
COCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596792	0	43	-1.0	-60.01	348.32	3.77	-56.24
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2F)CCCC1	REAL300007596793	0	35	-1.0	-64.41	289.60	4.81	-59.60
CC1=CC(Br)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596794	0	35	-1.0	-42.33	299.33	5.22	-37.11
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1C	REAL300007596795	0	40	-1.0	-59.57	313.69	6.95	-52.62
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596796	0	41	-1.0	-70.86	336.70	2.42	-68.44
O=C([O-])C1(NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)CCCC1	REAL300007596797	0	44	-1.0	-59.06	372.35	2.12	-56.94
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596798	0	40	-1.0	-59.27	339.96	0.31	-58.96
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596799	0	40	-1.0	-45.24	318.52	2.17	-43.07
CC1=NC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300007596800	0	34	-1.0	-42.20	285.73	2.35	-39.85
O=C([O-])C1(NS(=O)(=O)C2=CSC3=CC=CC=C23)CCCC1	REAL300007596801	0	35	-1.0	-56.87	300.92	5.72	-51.15
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1F	REAL300007596802	0	36	-1.0	-53.06	299.06	3.51	-49.55
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CCCC1	REAL300007596803	0	42	-1.0	-63.17	337.56	7.68	-55.49
O=C([O-])C1(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CCCC1	REAL300007596804	0	35	-1.0	-58.93	317.81	5.79	-53.14
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)S2)=CS1	REAL300007596805	0	38	-1.0	-57.50	342.15	4.78	-52.72
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)CCCC1	REAL300007596806	0	52	-1.0	-55.99	397.91	7.75	-48.24
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596807	0	40	-1.0	-50.15	323.22	4.87	-45.28
CNC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN1C	REAL300007596808	0	40	-1.0	-58.47	327.78	1.82	-56.65
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1	REAL300007596809	0	42	-1.0	-56.18	320.87	5.36	-50.82
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CCCC1	REAL300007596810	0	43	-1.0	-58.77	347.56	8.39	-50.38
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300007596811	0	42	-1.0	-51.02	331.16	4.84	-46.18
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CN=C2C=C1	REAL300007596812	0	40	-1.0	-56.53	307.26	5.31	-51.22
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CN=CC=C32)CCCC1	REAL300007596813	0	37	-1.0	-44.52	296.94	4.23	-40.29
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC1(C(=O)[O-])CCCC1)=C2	REAL300007596814	0	45	-1.0	-59.81	363.13	8.11	-51.70
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C([N+](=O)[O-])=N1	REAL300007596815	0	37	-1.0	-56.41	313.59	5.11	-51.30
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)CCCC1	REAL300007596816	0	39	-1.0	-59.76	334.27	4.96	-54.80
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CCCC1	REAL300007596817	0	46	-1.0	-57.81	374.60	7.55	-50.26
CCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596818	0	40	-1.0	-72.29	326.45	5.54	-66.75
O=C([O-])C1(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CCCC1	REAL300007596819	0	42	-1.0	-53.82	349.88	5.66	-48.16
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC=CC=C23)CCCC1	REAL300007596820	0	35	-1.0	-76.43	291.24	3.43	-73.00
CC(C)CCN(CCC(C)C)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596821	0	54	-1.0	-58.47	395.65	7.35	-51.12
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596822	0	40	-1.0	-61.49	336.17	0.98	-60.51
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(F)=C2)CCCC1	REAL300007596823	0	35	-1.0	-61.78	293.40	5.06	-56.72
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C12	REAL300007596824	0	45	-1.0	-47.43	351.05	6.29	-41.14
CCOC1=CC=C(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596825	0	42	-1.0	-48.34	333.72	5.11	-43.23
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CCCC1	REAL300007596826	0	37	-1.0	-64.60	311.62	4.45	-60.15
O=C([O-])C1(NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CCCC1	REAL300007596827	0	39	-1.0	-58.52	324.26	5.29	-53.23
CCOCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596828	0	46	-1.0	-59.88	370.18	4.73	-55.15
CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596829	0	48	-1.0	-57.39	379.19	6.86	-50.53
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2CCCC3)CCCC1	REAL300007596830	0	42	-1.0	-59.67	314.88	6.73	-52.94
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CCCC1	REAL300007596831	0	38	-1.0	-59.98	308.78	5.83	-54.15
O=C([O-])C1(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CCCC1	REAL300007596832	0	36	-1.0	-56.23	319.73	5.73	-50.50
O=C([O-])C1(NS(=O)(=O)C2=CC=C3COCC3=C2)CCCC1	REAL300007596833	0	37	-1.0	-58.59	299.33	3.57	-55.02
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)CCCC1	REAL300007596834	0	40	-1.0	-68.34	324.15	5.32	-63.02
O=C([O-])C1(NS(=O)(=O)C2CCS(=O)(=O)CC2)CCCC1	REAL300007596835	0	38	-1.0	-69.23	308.34	0.87	-68.36
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CCCC1	REAL300007596836	0	37	-1.0	-58.07	311.62	4.45	-53.62
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1	REAL300007596837	0	42	-1.0	-45.67	329.37	4.84	-40.83
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596838	0	40	-1.0	-58.77	338.85	0.50	-58.27
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2OC(F)F)CCCC1	REAL300007596839	0	36	-1.0	-45.14	299.91	3.97	-41.17
CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596840	0	36	-1.0	-57.92	303.55	5.29	-52.63
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300007596841	0	38	-1.0	-60.10	323.09	5.77	-54.33
CCN(CC1=CC=CC=C1)S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596842	0	43	-1.0	-58.33	329.81	5.95	-52.38
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)N=C1C	REAL300007596843	0	38	-1.0	-59.62	309.40	3.80	-55.82
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCO3)CCCC1	REAL300007596844	0	38	-1.0	-60.75	306.46	3.86	-56.89
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NC=CC=C32)CCCC1	REAL300007596845	0	37	-1.0	-45.73	296.01	4.12	-41.61
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)CCCC1	REAL300007596846	0	44	-1.0	-60.21	354.65	6.24	-53.97
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(F)(F)F	REAL300007596847	0	38	-1.0	-60.49	317.77	5.66	-54.83
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CCCC1	REAL300007596848	0	38	-1.0	-55.80	336.71	5.20	-50.60
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CCCC1	REAL300007596849	0	41	-1.0	-56.48	328.16	5.87	-50.61
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C12	REAL300007596850	0	40	-1.0	-56.99	329.66	3.78	-53.21
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596851	0	39	-1.0	-61.94	329.15	4.66	-57.28
COCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596852	0	39	-1.0	-60.96	318.42	3.99	-56.97
CC1(C)CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=C2O1	REAL300007596853	0	43	-1.0	-64.70	337.98	5.37	-59.33
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2Cl)CCCC1	REAL300007596854	0	35	-1.0	-57.91	300.38	5.45	-52.46
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)CCCC1	REAL300007596855	0	44	-1.0	-76.46	359.93	2.64	-73.82
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CCCC1	REAL300007596856	0	39	-1.0	-60.41	330.35	4.57	-55.84
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CCCC1	REAL300007596857	0	40	-1.0	-58.75	324.27	4.76	-53.99
O=C([O-])C1(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CCCC1	REAL300007596858	0	35	-1.0	-58.43	313.92	5.89	-52.54
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C2O1	REAL300007596859	0	40	-1.0	-57.88	320.21	4.88	-53.00
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596860	0	44	-1.0	-57.11	322.20	7.53	-49.58
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596861	0	44	-1.0	-61.99	352.35	3.19	-58.80
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CCCC1	REAL300007596862	0	43	-1.0	-56.71	368.67	7.72	-48.99
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CCCC1	REAL300007596863	0	38	-1.0	-66.34	331.35	5.03	-61.31
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)CCCC1	REAL300007596864	0	38	-1.0	-55.44	347.02	5.64	-49.80
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2)=CO1	REAL300007596865	0	41	-1.0	-59.40	339.74	3.33	-56.07
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C(F)(F)F)=N1	REAL300007596866	0	35	-1.0	-54.16	299.69	3.14	-51.02
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3O2)CCCC1	REAL300007596867	0	35	-1.0	-61.15	293.87	4.90	-56.25
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCOC3=C2)CCCC1	REAL300007596868	0	35	-1.0	-54.72	289.39	2.93	-51.79
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300007596869	0	35	-1.0	-53.71	290.54	0.95	-52.76
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCCC3=C2)CCCC1	REAL300007596870	0	40	-1.0	-58.72	317.05	4.90	-53.82
O=C([O-])C1(NS(=O)(=O)C2CC3=CC=CC=C3C2)CCCC1	REAL300007596871	0	39	-1.0	-47.20	309.44	5.83	-41.37
CC1=CC=C(N2C=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=N2)C=C1	REAL300007596872	0	42	-1.0	-58.80	345.69	5.89	-52.91
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC(Cl)=C2O1	REAL300007596873	0	40	-1.0	-58.32	337.12	5.38	-52.94
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1[N+](=O)[O-]	REAL300007596874	0	37	-1.0	-51.67	306.55	5.50	-46.17
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300007596875	0	43	-1.0	-58.66	351.46	4.94	-53.72
O=C([O-])C1(NS(=O)(=O)C2=CN=C3C=CSC3=C2)CCCC1	REAL300007596876	0	34	-1.0	-56.88	295.32	3.65	-53.23
CN(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596877	0	40	-1.0	-60.13	314.83	4.67	-55.46
CC1=CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2C=C1	REAL300007596878	0	41	-1.0	-58.82	329.50	7.24	-51.58
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)SC=C1	REAL300007596879	0	33	-1.0	-63.39	281.47	3.23	-60.16
CN(C)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596880	0	40	-1.0	-60.37	315.87	4.69	-55.68
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCC3)CCCC1	REAL300007596881	0	37	-1.0	-62.47	300.77	4.13	-58.34
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=CC=CC=C32)CCCC1	REAL300007596882	0	37	-1.0	-61.82	307.65	4.11	-57.71
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCOC3=C2)CCCC1	REAL300007596883	0	37	-1.0	-62.96	299.16	4.11	-58.85
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C(Cl)C=C2)CCCC1	REAL300007596884	0	38	-1.0	-58.70	322.59	6.09	-52.61
CN1CCCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C21	REAL300007596885	0	44	-1.0	-57.98	336.60	4.86	-53.12
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CCCC1	REAL300007596886	0	34	-1.0	-50.67	298.86	3.59	-47.08
COC1=CC=CC(OC)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596887	0	40	-1.0	-66.59	316.39	4.37	-62.22
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596888	0	40	-1.0	-52.01	323.83	6.30	-45.71
CC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1[N+](=O)[O-]	REAL300007596889	0	40	-1.0	-74.58	320.18	7.41	-67.17
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1[N+](=O)[O-]	REAL300007596890	0	40	-1.0	-43.71	318.35	5.57	-38.14
COC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596891	0	42	-1.0	-60.12	335.36	4.87	-55.25
COC1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596892	0	35	-1.0	-56.98	287.95	1.75	-55.23
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300007596893	0	41	-1.0	-59.03	335.27	5.92	-53.11
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CC3)C=C2)CCCC1	REAL300007596894	0	39	-1.0	-58.27	312.57	6.26	-52.01
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC(OC)=C1	REAL300007596895	0	40	-1.0	-61.24	322.31	2.74	-58.50
O=C([O-])C1(NS(=O)(=O)CCC2CCCCC2)CCCC1	REAL300007596896	0	44	-1.0	-60.04	326.63	5.74	-54.30
CC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596897	0	41	-1.0	-59.31	327.26	6.25	-53.06
CC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1)OCO2	REAL300007596898	0	38	-1.0	-46.17	301.32	3.12	-43.05
O=C([O-])C1(NS(=O)(=O)C2=C3OC=CC3=CC=C2)CCCC1	REAL300007596899	0	35	-1.0	-61.46	292.50	4.62	-56.84
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1Cl	REAL300007596900	0	36	-1.0	-53.32	308.87	3.99	-49.33
CN1C=NC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=CC=C21	REAL300007596901	0	38	-1.0	-70.15	311.60	5.50	-64.65
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=NC=CC=C2C=C1	REAL300007596902	0	40	-1.0	-72.01	314.59	6.03	-65.98
CC1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2O1	REAL300007596903	0	37	-1.0	-56.23	306.97	1.81	-54.42
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1CC	REAL300007596904	0	44	-1.0	-59.82	340.40	6.71	-53.11
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596905	0	40	-1.0	-51.60	321.06	6.80	-44.80
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596906	0	42	-1.0	-63.01	325.61	5.90	-57.11
CC1=C(C)SC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596907	0	35	-1.0	-58.76	296.23	4.63	-54.13
NC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596908	0	33	-1.0	-40.93	283.35	1.06	-39.87
CCC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300007596909	0	34	-1.0	-54.37	291.63	2.88	-51.49
CN(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300007596910	0	39	-1.0	-57.21	313.27	4.11	-53.10
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300007596911	0	35	-1.0	-59.84	291.32	4.94	-54.90
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CCCC1	REAL300007596912	0	38	-1.0	-63.10	307.63	5.58	-57.52
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCO3)CCCC1	REAL300007596913	0	35	-1.0	-59.42	290.70	2.93	-56.49
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC(C)=C1F	REAL300007596914	0	38	-1.0	-54.15	310.38	5.50	-48.65
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CCCC1	REAL300007596915	0	39	-1.0	-67.39	319.35	4.02	-63.37
O=C([O-])C1(NS(=O)(=O)CCCOCC2=CC=CC=C2)CCCC1	REAL300007596916	0	45	-1.0	-63.59	361.38	5.63	-57.96
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=CC(F)=C23)CCCC1	REAL300007596917	0	36	-1.0	-47.04	299.67	3.73	-43.31
O=C([O-])C1(NS(=O)(=O)C2=C3N=CSC3=CC=C2)CCCC1	REAL300007596918	0	34	-1.0	-61.93	295.58	3.70	-58.23
CC1=NC(CS(=O)(=O)NC2(C(=O)[O-])CCCC2)=CS1	REAL300007596919	0	34	-1.0	-64.44	290.96	2.46	-61.98
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C=C2)CCCC1	REAL300007596920	0	35	-1.0	-60.08	301.68	5.20	-54.88
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CC=C1Cl	REAL300007596921	0	35	-1.0	-54.82	298.82	5.37	-49.45
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CCCC1	REAL300007596922	0	38	-1.0	-61.61	311.46	5.26	-56.35
CC1=CSC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=C2)=N1	REAL300007596923	0	41	-1.0	-58.79	349.58	5.74	-53.05
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCC3)CCCC1	REAL300007596924	0	40	-1.0	-46.33	314.19	5.10	-41.23
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CCCC1	REAL300007596925	0	39	-1.0	-64.54	328.46	2.13	-62.41
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)CCCC1	REAL300007596926	0	41	-1.0	-58.40	324.98	4.58	-53.82
O=C([O-])C1(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)CCCC1	REAL300007596927	0	35	-1.0	-56.69	306.90	5.50	-51.19
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596928	0	57	-1.0	-57.36	443.69	9.20	-48.16
CCC(C)OC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1	REAL300007596929	0	45	-1.0	-62.78	353.65	5.94	-56.84
COC(CS(=O)(=O)NC1(C(=O)[O-])CCCC1)C1CCCC1	REAL300007596930	0	45	-1.0	-61.67	336.91	4.32	-57.35
COC(CS(=O)(=O)NC1(C(=O)[O-])CCCC1)C1CCCCC1	REAL300007596931	0	48	-1.0	-61.07	354.36	4.81	-56.26
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)CCCC1	REAL300007596932	0	46	-1.0	-60.86	380.82	7.62	-53.24
CCOC(CS(=O)(=O)NC1(C(=O)[O-])CCCC1)C1CC1	REAL300007596933	0	42	-1.0	-57.70	324.11	4.96	-52.74
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(C)C	REAL300007596934	0	51	-1.0	-56.09	394.79	7.18	-48.91
CCC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=CN1CC1CC1	REAL300007596935	0	45	-1.0	-59.37	356.82	5.57	-53.80
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3CC3)S2)CCCC1	REAL300007596936	0	35	-1.0	-54.87	301.40	3.81	-51.06
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1[N+](=O)[O-]	REAL300007596937	0	40	-1.0	-52.58	324.30	6.44	-46.14
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596938	0	39	-1.0	-53.84	311.09	3.96	-49.88
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CCCC1	REAL300007596939	0	45	-1.0	-54.93	365.93	6.57	-48.36
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596940	0	35	-1.0	-45.08	299.65	3.17	-41.91
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)CCCC1	REAL300007596941	0	43	-1.0	-55.98	363.08	8.39	-47.59
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CCCC1	REAL300007596942	0	42	-1.0	-63.54	329.85	7.73	-55.81
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C(C)C=C1OC	REAL300007596943	0	45	-1.0	-60.14	346.99	5.68	-54.46
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)CCCC1	REAL300007596944	0	38	-1.0	-53.12	334.55	6.01	-47.11
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=N1	REAL300007596945	1	34	-1.0	-51.18	290.32	3.17	-48.01
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C2=CC=CC=C2C=C1	REAL300007596946	0	41	-1.0	-60.28	309.74	7.04	-53.24
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=N1	REAL300007596947	0	41	-1.0	-53.74	332.53	2.82	-50.92
COC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596948	0	36	-1.0	-54.65	297.43	4.22	-50.43
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(C)C	REAL300007596949	0	48	-1.0	-56.42	373.30	6.38	-50.04
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1F	REAL300007596950	0	44	-1.0	-59.98	341.56	6.39	-53.59
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)CCCC1	REAL300007596951	0	51	-1.0	-60.83	386.20	8.59	-52.24
CN1N=C2CCCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596952	0	42	-1.0	-54.10	324.27	4.25	-49.85
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C(C)(C)C)=N1	REAL300007596953	0	44	-1.0	-63.25	329.92	4.42	-58.83
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCC3)N=C2)CCCC1	REAL300007596954	0	42	-1.0	-53.72	331.21	4.46	-49.26
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596955	0	35	-1.0	-54.99	293.83	2.85	-52.14
COC1=CC=C(F)C=C1CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596956	0	39	-1.0	-62.22	318.83	4.21	-58.01
C=CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1	REAL300007596957	0	42	-1.0	-58.04	340.55	6.92	-51.12
CCC1=NN(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596958	0	38	-1.0	-57.08	304.20	3.20	-53.88
CCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(C)C	REAL300007596959	0	54	-1.0	-56.31	416.31	8.10	-48.21
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)CCCC1	REAL300007596960	0	36	-1.0	-56.52	310.62	5.86	-50.66
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(C)(C)C	REAL300007596961	0	54	-1.0	-56.60	407.36	7.99	-48.61
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1CC	REAL300007596962	0	48	-1.0	-58.15	377.88	6.66	-51.49
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596963	0	38	-1.0	-54.36	310.68	6.67	-47.69
CC1=CC(Br)=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596964	0	38	-1.0	-57.59	323.87	6.20	-51.39
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC=C2Cl)CCCC1	REAL300007596965	0	36	-1.0	-58.14	308.14	5.77	-52.37
CCCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596966	0	41	-1.0	-43.98	313.75	6.13	-37.85
COC1=NC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596967	0	35	-1.0	-59.61	289.98	1.42	-58.19
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596968	0	48	-1.0	-52.60	378.28	6.87	-45.73
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)CCCC1	REAL300007596969	0	37	-1.0	-44.67	296.12	4.20	-40.47
CC1=CSC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596970	0	35	-1.0	-55.10	284.12	4.63	-50.47
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCC3)N=C2)CCCC1	REAL300007596971	0	39	-1.0	-53.70	313.83	3.79	-49.91
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2CCC2)CCCC1	REAL300007596972	0	39	-1.0	-54.00	309.44	4.21	-49.79
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CC2CCC2)CCCC1	REAL300007596973	0	42	-1.0	-42.89	312.99	4.34	-38.55
CC1(C)COC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=NN2C1	REAL300007596974	0	43	-1.0	-45.69	323.92	1.78	-43.91
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CCCC1	REAL300007596975	0	38	-1.0	-57.08	327.74	5.24	-51.84
O=C([O-])C1(NS(=O)(=O)C2=CN=C3CCCCN23)CCCC1	REAL300007596976	0	39	-1.0	-60.06	305.70	4.12	-55.94
CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(C)C	REAL300007596977	0	57	-1.0	-56.23	437.80	8.88	-47.35
COC1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C	REAL300007596978	0	48	-1.0	-60.73	360.80	6.02	-54.71
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596979	0	42	-1.0	-62.33	336.88	5.62	-56.71
CCOCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1C(C)C	REAL300007596980	0	55	-1.0	-58.06	428.78	6.61	-51.45
CC1CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCCC3)=C2O1	REAL300007596981	0	40	-1.0	-45.97	319.24	4.40	-41.57
CC(C)(C)C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)S1	REAL300007596982	0	40	-1.0	-55.25	329.66	4.00	-51.25
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CCCC1	REAL300007596983	0	38	-1.0	-57.80	315.08	4.59	-53.21
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596984	0	37	-1.0	-65.33	302.23	3.59	-61.74
O=C([O-])C1(NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CCCC1	REAL300007596985	0	41	-1.0	-57.57	304.55	4.63	-52.94
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)CCCC1	REAL300007596986	0	36	-1.0	-42.16	315.97	4.24	-37.92
O=C([O-])C1(NS(=O)(=O)C2=CC3=NON=C3C=C2)CCCC1	REAL300007596987	0	33	-1.0	-54.24	278.21	2.93	-51.31
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3S2)CCCC1	REAL300007596988	0	35	-1.0	-60.35	301.44	5.63	-54.72
CN1N=C(C2CC2)C=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596989	0	39	-1.0	-50.49	310.87	4.29	-46.20
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=C1F	REAL300007596990	0	41	-1.0	-58.62	319.16	6.82	-51.80
COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCCC2)=C1OC	REAL300007596991	0	40	-1.0	-59.61	321.44	4.12	-55.49
O=C([O-])C1(NS(=O)(=O)C2=COC3=CC=CC=C23)CCCC1	REAL300007596992	0	35	-1.0	-45.57	290.05	3.97	-41.60
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C2CCCC2)=N1	REAL300007596993	0	45	-1.0	-57.64	353.06	5.11	-52.53
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCCC1	REAL300007596994	0	44	-1.0	-52.11	339.42	4.57	-47.54
CCCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C)=N1	REAL300007596995	0	44	-1.0	-56.64	352.17	4.99	-51.65
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C(C2CC2)=N1	REAL300007596996	0	39	-1.0	-45.06	316.10	3.48	-41.58
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)CCCC1	REAL300007596997	0	36	-1.0	-57.74	302.59	3.85	-53.89
CN1N=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CCCC3)C=CC=C21	REAL300007596998	0	37	-1.0	-64.21	308.99	2.72	-61.49
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C=C1Br	REAL300007596999	0	38	-1.0	-44.16	318.98	5.80	-38.36
CC1(C)CCCN(S(=O)(=O)NC2(C(=O)[O-])CCCC2)C1	REAL300007597000	0	43	-1.0	-58.74	308.09	4.37	-54.37
CC1=C(Br)C=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007597157	0	30	-1.0	-47.21	300.17	4.00	-43.21
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597158	0	36	-1.0	-52.08	325.43	2.27	-49.81
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C	REAL300007597159	0	36	-1.0	-52.04	327.29	-0.85	-52.89
O=C([O-])CCNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007597160	0	43	-1.0	-44.54	322.56	3.86	-40.68
O=C([O-])CCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007597161	0	33	-1.0	-57.36	300.34	4.08	-53.28
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300007597162	0	43	-1.0	-46.44	362.88	4.57	-41.87
O=C([O-])CCNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007597163	0	36	-1.0	-48.96	312.57	0.73	-48.23
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597164	0	39	-1.0	-48.27	342.76	3.13	-45.14
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597165	0	39	-1.0	-50.70	352.52	3.41	-47.29
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007597166	0	40	-1.0	-46.74	344.19	3.41	-43.33
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597167	0	32	-1.0	-45.70	303.65	2.49	-43.21
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(OC)=C1	REAL300007597168	0	43	-1.0	-50.61	372.23	0.43	-50.18
COC1=CC(Br)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597169	0	29	-1.0	-46.20	286.21	2.11	-44.09
O=C([O-])CCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007597170	0	29	-1.0	-42.34	272.09	2.35	-39.99
COC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007597171	0	31	-1.0	-46.83	290.95	2.93	-43.90
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597172	0	31	-1.0	-44.78	288.86	4.08	-40.70
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597173	0	31	-1.0	-47.52	289.23	4.09	-43.43
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300007597174	0	31	-1.0	-44.38	289.85	3.70	-40.68
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007597175	0	32	-1.0	-51.92	299.79	2.73	-49.19
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1C	REAL300007597176	0	52	-1.0	-48.94	422.92	6.75	-42.19
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300007597177	0	39	-1.0	-47.32	346.49	0.12	-47.20
O=C([O-])CCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007597178	0	33	-1.0	-50.52	308.89	4.36	-46.16
O=C([O-])CCNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007597179	0	28	-1.0	-48.36	280.47	3.52	-44.84
O=C([O-])CCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300007597180	0	28	-1.0	-47.21	275.96	3.47	-43.74
O=C([O-])CCNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007597181	0	32	-1.0	-57.56	300.04	0.05	-57.51
CC1=CC(Br)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597182	0	28	-1.0	-46.45	278.13	3.47	-42.98
CC1=C(Br)C=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597183	0	28	-1.0	-45.21	268.87	3.48	-41.73
COC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Br	REAL300007597184	0	29	-1.0	-45.25	285.35	2.16	-43.09
COC1=CC(OC)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300007597185	0	33	-1.0	-45.43	301.44	1.89	-43.54
O=C([O-])CCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007597186	0	28	-1.0	-49.36	279.37	1.25	-48.11
O=C([O-])CCNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007597187	0	28	-1.0	-53.82	269.30	1.17	-52.65
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597188	0	36	-1.0	-49.81	301.37	0.17	-49.64
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1I	REAL300007597189	0	28	-1.0	-46.95	280.77	3.83	-43.12
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597190	0	37	-1.0	-53.14	339.08	1.40	-51.74
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597191	0	42	-1.0	-50.05	372.21	1.91	-48.14
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597192	0	42	-1.0	-56.18	378.33	0.70	-55.48
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300007597193	0	33	-1.0	-48.63	314.38	-1.04	-49.67
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])S1	REAL300007597194	0	39	-1.0	-53.65	370.73	-0.18	-53.83
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(OC)=C1	REAL300007597195	0	40	-1.0	-50.81	350.74	-0.35	-51.16
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(F)=C1	REAL300007597196	0	39	-1.0	-58.44	350.17	0.34	-58.10
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597197	0	39	-1.0	-50.52	354.55	-0.02	-50.54
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597198	0	36	-1.0	-58.97	315.40	2.19	-56.78
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300007597199	0	39	-1.0	-47.69	357.34	0.64	-47.05
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007597200	0	40	-1.0	-60.75	341.55	3.29	-57.46
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300007597201	0	36	-1.0	-47.81	335.84	-0.14	-47.95
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007597202	0	40	-1.0	-51.14	349.18	2.63	-48.51
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007597203	0	37	-1.0	-57.65	314.83	1.32	-56.33
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597204	0	34	-1.0	-52.49	317.59	0.61	-51.88
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597205	0	35	-1.0	-53.53	316.63	-0.46	-53.99
CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300007597206	0	32	-1.0	-44.98	307.19	3.08	-41.90
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007597207	0	39	-1.0	-50.05	343.61	5.25	-44.80
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007597208	0	29	-1.0	-42.38	282.41	2.80	-39.58
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007597209	0	31	-1.0	-47.24	315.88	0.31	-46.93
COC1=CC=C(Br)C(CS(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597210	0	32	-1.0	-49.08	305.36	2.76	-46.32
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2S1	REAL300007597211	0	39	-1.0	-47.68	348.42	4.14	-43.54
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597212	0	32	-1.0	-45.26	295.39	3.20	-42.06
CC(C)N1N=CC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300007597213	0	37	-1.0	-48.23	326.14	3.72	-44.51
CC1=C(S(=O)(=O)NCCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007597214	0	31	-1.0	-48.76	289.18	3.46	-45.30
O=C([O-])CCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007597215	0	28	-1.0	-46.44	291.06	4.12	-42.32
CC1=C(S(=O)(=O)NCCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007597216	0	31	-1.0	-44.36	299.26	4.93	-39.43
O=C([O-])CCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007597217	0	28	-1.0	-48.07	278.18	3.59	-44.48
O=C([O-])CCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007597218	0	31	-1.0	-49.64	293.11	5.05	-44.59
O=C([O-])CCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007597219	0	31	-1.0	-47.45	296.43	3.98	-43.47
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007597220	0	39	-1.0	-45.09	336.08	5.38	-39.71
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597221	0	38	-1.0	-51.50	342.84	3.76	-47.74
O=C([O-])CCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007597222	0	36	-1.0	-52.40	335.43	-0.75	-53.15
CC1=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007597223	0	34	-1.0	-48.63	306.48	5.18	-43.45
O=C([O-])CCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007597224	0	31	-1.0	-48.91	296.87	4.13	-44.78
COC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300007597225	0	32	-1.0	-48.26	295.70	2.94	-45.32
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597226	0	34	-1.0	-58.57	319.86	0.41	-58.16
CSC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Cl	REAL300007597227	0	29	-1.0	-44.96	290.63	3.66	-41.30
O=C([O-])CCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007597228	0	33	-1.0	-50.04	306.58	0.74	-49.30
O=C([O-])CCNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007597229	0	36	-1.0	-47.19	331.95	2.01	-45.18
O=C([O-])CCNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007597230	0	31	-1.0	-46.40	302.61	5.07	-41.33
CCC1=CC(CC)=C(S(=O)(=O)NCCC(=O)[O-])C(CC)=C1	REAL300007597231	0	43	-1.0	-45.46	335.39	6.91	-38.55
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597232	1	40	-1.0	-48.65	355.26	-0.55	-49.20
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007597233	0	31	-1.0	-45.07	304.03	0.28	-44.79
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007597234	0	34	-1.0	-53.84	301.98	5.94	-47.90
O=C([O-])CCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007597236	0	33	-1.0	-48.09	304.86	3.45	-44.64
COCC1=CC(Cl)=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597237	0	32	-1.0	-46.79	307.22	2.42	-44.37
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007597238	0	25	-1.0	-45.33	267.98	2.38	-42.95
COC1=CC=C2C=C(S(=O)(=O)NCCC(=O)[O-])CCC2=C1	REAL300007597239	0	37	-1.0	-47.28	319.35	3.89	-43.39
CC(C)(CCS(=O)(=O)NCCC(=O)[O-])S(C)(=O)=O	REAL300007597240	0	36	-1.0	-55.16	308.66	-0.70	-55.86
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NCCC(=O)[O-])C=C12	REAL300007597241	0	40	-1.0	-50.10	358.83	5.44	-44.66
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCCC(=O)[O-])C=C12	REAL300007597242	0	44	-1.0	-47.83	376.92	2.96	-44.87
CCC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007597243	0	33	-1.0	-53.02	297.84	4.00	-49.02
O=C([O-])CCNS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007597244	0	25	-1.0	-44.45	256.70	2.81	-41.64
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597245	0	32	-1.0	-43.67	292.17	3.36	-40.31
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007597246	0	31	-1.0	-54.83	290.94	2.93	-51.90
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300007597247	0	41	-1.0	-51.06	363.78	-0.24	-51.30
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597248	0	42	-1.0	-50.57	372.17	1.91	-48.66
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597249	0	36	-1.0	-50.84	331.01	0.19	-50.65
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300007597250	0	29	-1.0	-45.31	285.33	2.16	-43.15
O=C([O-])CCNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007597251	0	31	-1.0	-43.72	313.21	4.20	-39.52
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Br	REAL300007597252	0	28	-1.0	-44.62	274.93	3.37	-41.25
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)=C1	REAL300007597253	0	39	-1.0	-47.05	345.51	5.71	-41.34
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597254	0	29	-1.0	-44.98	281.39	1.98	-43.00
O=C([O-])CCNS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007597255	0	34	-1.0	-46.68	298.25	2.13	-44.55
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597256	0	41	-1.0	-47.13	332.05	4.32	-42.81
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C21	REAL300007597257	0	32	-1.0	-50.04	310.85	4.57	-45.47
COC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597258	0	29	-1.0	-45.05	277.23	2.64	-42.41
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597259	0	43	-1.0	-45.42	337.74	5.99	-39.43
CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1OCC	REAL300007597260	0	39	-1.0	-48.73	337.86	3.23	-45.50
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597261	0	30	-1.0	-52.04	289.66	-2.86	-54.90
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007597262	0	33	-1.0	-45.37	299.83	4.03	-41.34
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCC(=O)[O-])=C1C	REAL300007597263	0	33	-1.0	-50.50	295.29	4.29	-46.21
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007597264	0	31	-1.0	-49.44	282.28	2.97	-46.47
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597265	0	30	-1.0	-51.56	289.60	-2.85	-54.41
O=C([O-])CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007597266	0	37	-1.0	-50.66	344.43	0.04	-50.62
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCCC(=O)[O-]	REAL300007597267	0	33	-1.0	-47.60	303.21	3.75	-43.85
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCCC(=O)[O-])C=C1C	REAL300007597268	0	33	-1.0	-50.38	291.34	4.86	-45.52
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597269	0	36	-1.0	-50.27	330.16	0.23	-50.04
O=C([O-])CCNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007597270	0	37	-1.0	-59.89	321.36	1.53	-58.36
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597271	0	31	-1.0	-53.74	296.12	-0.29	-54.03
O=C([O-])CCNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007597272	0	35	-1.0	-49.56	304.77	5.77	-43.79
O=C([O-])CCNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007597273	0	35	-1.0	-47.77	309.60	5.60	-42.17
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCC(=O)[O-])C=CC=C12	REAL300007597274	0	39	-1.0	-48.22	329.84	4.39	-43.83
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007597275	0	30	-1.0	-46.34	291.68	4.67	-41.67
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007597276	0	36	-1.0	-49.05	340.92	5.58	-43.47
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597277	0	31	-1.0	-44.75	284.16	2.68	-42.07
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007597278	0	36	-1.0	-45.85	340.81	5.55	-40.30
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300007597279	0	40	-1.0	-47.22	353.58	4.33	-42.89
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCC(=O)[O-])C(C(C)C)=C1	REAL300007597280	0	52	-1.0	-45.12	393.70	8.05	-37.07
CC(C)OC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC=C12	REAL300007597281	0	41	-1.0	-49.24	344.54	5.44	-43.80
O=C([O-])CCNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007597282	0	28	-1.0	-47.60	291.09	3.87	-43.73
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC=C12	REAL300007597283	0	35	-1.0	-49.57	304.79	3.89	-45.68
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300007597284	0	43	-1.0	-50.27	372.53	2.18	-48.09
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007597285	0	41	-1.0	-50.25	355.11	-0.15	-50.40
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597286	0	33	-1.0	-49.99	295.00	4.65	-45.34
CC(C)CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597287	0	41	-1.0	-46.50	347.35	4.52	-41.98
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007597288	0	39	-1.0	-45.75	330.07	4.41	-41.34
CC(C)COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597289	0	38	-1.0	-45.81	328.35	3.91	-41.90
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007597290	0	29	-1.0	-46.96	290.70	2.32	-44.64
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1OC(C)C	REAL300007597291	0	38	-1.0	-47.12	324.76	3.78	-43.34
COCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597292	0	36	-1.0	-49.69	320.41	1.68	-48.01
CC1=CC(Br)=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597293	0	28	-1.0	-44.86	271.41	3.70	-41.16
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCC(=O)[O-])=C1C	REAL300007597294	0	33	-1.0	-49.28	286.60	4.92	-44.36
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597295	0	34	-1.0	-58.01	310.86	0.61	-57.40
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007597296	0	37	-1.0	-50.63	344.44	0.03	-50.60
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597297	0	33	-1.0	-51.14	312.02	-1.64	-52.78
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597298	0	33	-1.0	-50.23	273.04	-0.05	-50.28
O=C([O-])CCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007597299	0	35	-1.0	-50.16	309.62	5.60	-44.56
O=C([O-])CCNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007597300	0	28	-1.0	-46.14	292.65	3.90	-42.24
CC1=NC(C2=CC=C(S(=O)(=O)NCCC(=O)[O-])S2)=CS1	REAL300007597301	0	31	-1.0	-48.16	314.87	2.75	-45.41
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007597302	0	45	-1.0	-45.77	369.99	5.81	-39.96
O=C([O-])CCNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007597303	0	36	-1.0	-48.40	319.63	6.31	-42.09
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300007597304	0	42	-1.0	-49.26	382.18	3.83	-45.43
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCCC(=O)[O-])=C2	REAL300007597305	0	38	-1.0	-52.68	335.24	6.02	-46.66
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007597306	0	32	-1.0	-46.65	306.33	2.88	-43.77
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007597307	0	39	-1.0	-47.32	346.67	5.47	-41.85
O=C([O-])CCNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007597308	0	35	-1.0	-47.46	321.40	3.74	-43.72
CC(C)CCN(CCC(C)C)S(=O)(=O)NCCC(=O)[O-]	REAL300007597309	0	47	-1.0	-45.83	369.42	5.03	-40.80
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597310	0	33	-1.0	-51.48	312.50	-1.19	-52.67
O=C([O-])CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007597311	0	40	-1.0	-56.25	357.35	1.32	-54.93
CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C2=CC=CC=C12	REAL300007597312	0	38	-1.0	-49.20	326.60	4.82	-44.38
CCOCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597313	0	39	-1.0	-47.82	342.25	2.65	-45.17
CCCCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597314	0	41	-1.0	-46.59	351.28	4.77	-41.82
O=C([O-])CCNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007597315	0	31	-1.0	-47.80	283.80	4.00	-43.80
O=C([O-])CCNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007597316	0	29	-1.0	-45.69	291.79	3.65	-42.04
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597317	0	33	-1.0	-55.51	312.05	-1.65	-57.16
O=C([O-])CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300007597318	0	46	-1.0	-55.75	383.12	2.89	-52.86
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300007597319	0	44	-1.0	-53.85	367.05	0.04	-53.81
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300007597320	0	46	-1.0	-57.13	375.77	2.50	-54.63
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597321	0	46	-1.0	-54.44	388.10	2.97	-51.47
O=C([O-])CCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300007597322	0	43	-1.0	-55.43	372.54	2.17	-53.26
O=C([O-])CCNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007597323	0	31	-1.0	-49.31	298.24	3.92	-45.39
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1	REAL300007597324	0	31	-1.0	-50.73	323.14	3.48	-47.25
O=C([O-])CCNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007597325	0	37	-1.0	-49.48	329.14	4.17	-45.31
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(F)(F)F	REAL300007597326	0	31	-1.0	-48.20	289.84	3.71	-44.49
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007597327	0	31	-1.0	-50.99	308.25	2.92	-48.07
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCCC(=O)[O-]	REAL300007597328	0	32	-1.0	-48.97	304.07	2.79	-46.18
O=C([O-])CCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1	REAL300007597329	0	36	-1.0	-50.86	352.24	-0.35	-51.21
O=C([O-])CCNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007597330	0	37	-1.0	-62.67	332.01	0.69	-61.98
O=C([O-])CCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007597331	0	32	-1.0	-46.65	305.17	2.70	-43.95
COC1=CC(OC)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300007597332	0	33	-1.0	-45.43	305.83	2.00	-43.43
O=C([O-])CCNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007597333	0	38	-1.0	-49.65	357.72	4.22	-45.43
O=C([O-])CCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007597334	0	33	-1.0	-49.64	297.27	2.83	-46.81
O=C([O-])CCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007597335	0	28	-1.0	-48.35	286.08	3.80	-44.55
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597336	0	37	-1.0	-50.91	323.35	1.18	-49.73
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007597337	0	36	-1.0	-48.47	340.82	5.54	-42.93
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300007597338	0	31	-1.0	-54.28	323.14	3.47	-50.81
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007597339	0	31	-1.0	-47.90	301.84	2.86	-45.04
O=C([O-])CCNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007597340	0	31	-1.0	-50.75	318.57	3.38	-47.37
CC1=NC(C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)=CO1	REAL300007597341	0	34	-1.0	-49.70	311.81	1.26	-48.44
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007597342	0	28	-1.0	-48.14	274.88	1.14	-47.00
CC1=CC=C(N2C=C(S(=O)(=O)NCCC(=O)[O-])C=N2)C=C1	REAL300007597343	0	35	-1.0	-48.13	317.38	3.97	-44.16
CC1CC2=CC(S(=O)(=O)NCCC(=O)[O-])=CC(Cl)=C2O1	REAL300007597344	0	33	-1.0	-45.44	309.20	3.30	-42.14
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCCC(=O)[O-])C=N1	REAL300007597345	0	36	-1.0	-54.34	323.15	2.94	-51.40
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597346	0	33	-1.0	-45.64	294.09	4.26	-41.38
CC1=CC=C(C)C(S(=O)(=O)NCCC(=O)[O-])=C1[N+](=O)[O-]	REAL300007597347	0	33	-1.0	-49.92	291.59	5.16	-44.76
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007597348	0	33	-1.0	-51.20	294.13	4.27	-46.93
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597349	0	33	-1.0	-43.06	286.33	4.20	-38.86
O=C([O-])CCNS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007597350	0	38	-1.0	-49.20	336.20	3.75	-45.45
CC1=CSC(C2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)=N1	REAL300007597351	0	34	-1.0	-48.75	321.66	3.66	-45.09
O=C([O-])CCNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007597352	0	32	-1.0	-53.59	300.53	0.05	-53.54
O=C([O-])CCNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007597353	0	34	-1.0	-49.68	297.18	2.53	-47.15
CCCCCCCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597354	0	50	-1.0	-46.50	415.77	7.12	-39.38
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597355	0	35	-1.0	-43.85	313.66	4.16	-39.69
CCC(C)OC1=CC=CC(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597356	0	38	-1.0	-46.85	325.46	3.85	-43.00
O=C([O-])CCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007597357	0	39	-1.0	-46.79	352.90	5.54	-41.25
CCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300007597358	0	44	-1.0	-46.88	366.88	5.24	-41.64
CCC1=NC(S(=O)(=O)NCCC(=O)[O-])=CN1CC1CC1	REAL300007597359	0	38	-1.0	-54.63	327.45	4.11	-50.52
CC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007597360	0	33	-1.0	-46.68	298.55	4.65	-42.03
O=C([O-])CCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007597361	0	38	-1.0	-45.98	336.39	4.51	-41.47
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597362	0	28	-1.0	-45.16	277.04	0.80	-44.36
O=C([O-])CCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007597363	0	36	-1.0	-49.94	336.05	6.29	-43.65
O=C([O-])CCNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007597364	0	35	-1.0	-51.05	301.52	5.59	-45.46
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007597365	0	45	-1.0	-47.89	390.76	7.09	-40.80
CCC1=CC(S(=O)(=O)NCCC(=O)[O-])=C(C)C=C1OC	REAL300007597366	0	38	-1.0	-47.77	321.29	3.87	-43.90
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007597367	0	31	-1.0	-44.25	306.64	4.06	-40.19
CCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300007597368	0	41	-1.0	-47.19	345.38	4.44	-42.75
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1F	REAL300007597369	0	37	-1.0	-47.66	313.65	4.45	-43.21
O=C([O-])CCNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007597370	0	44	-1.0	-47.40	361.03	6.71	-40.69
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597371	0	28	-1.0	-46.84	261.66	0.77	-46.07
CCCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300007597372	0	47	-1.0	-45.69	388.38	6.02	-39.67
CCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)(C)C	REAL300007597373	0	47	-1.0	-47.11	379.44	5.91	-41.20
CCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1CC	REAL300007597374	0	41	-1.0	-45.89	349.97	4.70	-41.19
COCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300007597375	0	36	-1.0	-46.85	340.82	2.35	-44.50
CC1=CC(Br)=CC=C1CS(=O)(=O)NCCC(=O)[O-]	REAL300007597376	0	31	-1.0	-46.32	296.27	4.09	-42.23
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597377	0	41	-1.0	-46.67	350.97	4.98	-41.69
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300007597378	0	40	-1.0	-46.60	364.27	6.05	-40.55
CC1(C)COC2=C(S(=O)(=O)NCCC(=O)[O-])C=NN2C1	REAL300007597379	0	36	-1.0	-48.31	306.33	0.23	-48.08
O=C([O-])CCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007597380	0	31	-1.0	-47.65	302.27	3.09	-44.56
CCCCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300007597381	0	50	-1.0	-46.71	409.88	6.80	-39.91
COC1=CC(C(C)C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1C	REAL300007597382	0	41	-1.0	-47.95	338.91	4.31	-43.64
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597383	0	35	-1.0	-48.60	309.92	3.59	-45.01
CCOCCOC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1C(C)C	REAL300007597384	0	48	-1.0	-49.77	400.86	4.66	-45.11
O=C([O-])CCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007597385	0	31	-1.0	-48.79	289.09	2.82	-45.97
O=C([O-])CCNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007597386	0	29	-1.0	-51.09	283.40	2.43	-48.66
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C(C2CCCC2)=N1	REAL300007597387	0	38	-1.0	-48.01	304.79	2.32	-45.69
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C=C1Br	REAL300007597388	0	31	-1.0	-47.17	289.64	4.27	-42.90
O=C([O-])CCNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007597389	0	31	-1.0	-44.45	303.63	3.32	-41.13
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597390	0	43	-1.0	-47.61	349.57	6.19	-41.42
O=C([O-])CCNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007597391	0	31	-1.0	-44.33	306.64	4.06	-40.27
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007597392	0	36	-1.0	-45.45	320.07	4.85	-40.60
COC1=C(S(=O)(=O)NCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007597393	0	34	-1.0	-60.01	300.85	3.40	-56.61
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CN=C1C(F)(F)F	REAL300007597394	0	30	-1.0	-43.88	286.34	2.00	-41.88
O=C([O-])CCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007597395	0	28	-1.0	-43.49	280.56	3.26	-40.23
O=C([O-])CCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007597396	0	31	-1.0	-45.74	297.83	3.23	-42.51
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597397	0	35	-1.0	-45.80	331.62	2.96	-42.84
O=C([O-])CCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007597398	0	25	-1.0	-45.51	254.69	2.58	-42.93
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C(C2CCOCC2)=N1	REAL300007597399	0	39	-1.0	-48.77	333.74	1.31	-47.46
O=C([O-])CCNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007597400	0	40	-1.0	-45.62	330.93	4.84	-40.78
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)[O-])C2=NC=CC=C12	REAL300007597401	0	36	-1.0	-56.55	306.87	4.53	-52.02
O=C([O-])CCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007597402	0	33	-1.0	-47.12	289.04	2.17	-44.95
O=C([O-])CCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007597403	0	28	-1.0	-47.52	294.70	4.19	-43.33
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597404	0	35	-1.0	-48.00	315.10	3.37	-44.63
O=C([O-])CCNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007597405	0	38	-1.0	-48.80	321.81	3.14	-45.66
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007597406	0	36	-1.0	-46.62	324.11	5.03	-41.59
CC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC(C)=C1Br	REAL300007597407	0	31	-1.0	-44.86	293.11	3.93	-40.93
O=C([O-])CCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007597408	0	28	-1.0	-47.52	294.70	4.19	-43.33
CN1C=C(S(=O)(=O)NCCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007597409	0	35	-1.0	-47.14	299.22	3.01	-44.13
O=C([O-])CCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007597410	0	29	-1.0	-45.93	288.62	3.98	-41.95
O=C([O-])CCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007597411	0	29	-1.0	-46.54	288.61	3.99	-42.55
CC1=NC(S(=O)(=O)NCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007597412	0	34	-1.0	-47.45	309.87	1.10	-46.35
O=C([O-])CCNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007597413	0	42	-1.0	-46.30	312.42	5.08	-41.22
O=C([O-])CCNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007597414	0	29	-1.0	-54.46	283.40	1.22	-53.24
O=C([O-])CCNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007597415	0	35	-1.0	-48.13	318.71	5.09	-43.04
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C21	REAL300007597416	0	47	-1.0	-47.37	365.00	6.36	-41.01
O=C([O-])CCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007597417	0	29	-1.0	-48.05	284.14	2.95	-45.10
O=C([O-])CCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007597418	0	29	-1.0	-50.29	280.91	1.83	-48.46
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007597419	0	34	-1.0	-46.48	314.29	2.67	-43.81
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597420	0	38	-1.0	-50.43	326.45	4.60	-45.83
O=C([O-])CCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007597421	0	36	-1.0	-51.01	325.84	5.10	-45.91
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007597422	0	26	-1.0	-49.41	270.58	1.05	-48.36
CC1=C(S(=O)(=O)NCCC(=O)[O-])C2=NSN=C2C=C1	REAL300007597423	0	29	-1.0	-54.50	273.43	1.57	-52.93
O=C([O-])CCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007597424	0	31	-1.0	-46.60	298.05	4.96	-41.64
O=C([O-])CCNS(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300007597425	0	34	-1.0	-44.05	327.91	4.57	-39.48
O=C([O-])CCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007597426	0	35	-1.0	-46.65	326.34	6.12	-40.53
O=C([O-])CCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007597427	0	24	-1.0	-44.48	262.75	0.16	-44.32
CCC1=CC(S(=O)(=O)NCCC(=O)[O-])=CC=C1Br	REAL300007597428	0	31	-1.0	-44.68	294.46	4.05	-40.63
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597429	0	38	-1.0	-45.89	322.18	3.37	-42.52
COCCC1=CC=C(OC)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597430	0	39	-1.0	-47.72	332.51	2.52	-45.20
O=C([O-])CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007597431	0	31	-1.0	-49.44	282.77	4.49	-44.95
O=C([O-])CCNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007597432	0	31	-1.0	-47.54	300.25	2.02	-45.52
O=C([O-])CCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007597433	0	40	-1.0	-47.92	337.29	2.57	-45.35
O=C([O-])CCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007597434	0	35	-1.0	-45.93	297.65	-0.05	-45.98
O=C([O-])CCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007597435	0	30	-1.0	-47.40	288.57	4.42	-42.98
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C1	REAL300007597436	0	39	-1.0	-47.14	344.22	5.75	-41.39
O=C([O-])CCNS(=O)(=O)N1CC=C(Br)CC1	REAL300007597437	0	28	-1.0	-44.06	266.87	1.90	-42.16
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCC(=O)[O-]	REAL300007597438	0	33	-1.0	-53.12	293.68	-2.02	-55.14
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NCCC(=O)[O-])C=C2)C=C1	REAL300007597439	0	48	-1.0	-46.98	406.90	7.40	-39.58
COC1=CC=C(S(=O)(=O)NCCC(=O)[O-])C(C(F)F)=C1	REAL300007597440	0	32	-1.0	-46.37	287.04	2.82	-43.55
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC(=O)[O-]	REAL300007597441	0	31	-1.0	-44.05	292.65	0.33	-43.72
O=C([O-])CCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300007597442	0	32	-1.0	-51.47	301.05	2.81	-48.66
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCC(=O)[O-])=C1	REAL300007597443	0	38	-1.0	-47.79	313.21	4.12	-43.67
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597444	0	31	-1.0	-41.57	275.66	3.92	-37.65
CC(C)(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007597445	0	32	-1.0	-47.60	285.26	2.85	-44.75
CC(C)(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007597446	0	34	-1.0	-51.86	299.35	-0.01	-51.87
CC(C)(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007597447	0	32	-1.0	-43.29	284.49	2.26	-41.03
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1OC	REAL300007597448	0	39	-1.0	-44.92	314.30	2.61	-42.31
CC(C)(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007597449	0	44	-1.0	-43.51	340.57	6.28	-37.23
CC(C)(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007597450	0	34	-1.0	-46.74	282.43	1.63	-45.11
CC(C)(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007597451	0	28	-1.0	-45.89	255.91	3.30	-42.59
CC(C)(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007597452	0	28	-1.0	-44.14	260.42	3.19	-40.95
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597453	0	33	-1.0	-55.94	268.47	4.69	-51.25
CC(C)(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007597454	0	34	-1.0	-39.62	300.25	4.68	-34.94
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597455	0	38	-1.0	-43.04	321.41	-0.77	-43.81
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597456	0	39	-1.0	-46.41	319.81	4.32	-42.09
CC(C)(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007597457	0	37	-1.0	-55.95	323.90	0.67	-55.28
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=C1C	REAL300007597458	0	38	-1.0	-44.09	300.43	3.24	-40.85
CC(C)(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007597459	0	33	-1.0	-46.41	297.89	3.03	-43.38
CC(C)(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007597460	0	31	-1.0	-43.50	283.81	3.92	-39.58
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597461	0	45	-1.0	-50.84	378.71	1.53	-49.31
CC(C)(NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007597462	0	38	-1.0	-52.82	305.30	-1.81	-54.63
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007597463	0	37	-1.0	-47.64	312.23	3.86	-43.78
CC(C)(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007597464	0	41	-1.0	-51.55	343.45	5.47	-46.08
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597465	0	36	-1.0	-52.14	304.38	1.88	-50.26
CC(C)(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007597466	0	34	-1.0	-42.79	305.06	3.60	-39.19
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1OC	REAL300007597467	0	36	-1.0	-44.63	310.77	2.31	-42.32
COC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(OC)C=C1Br	REAL300007597468	0	36	-1.0	-45.35	318.69	2.31	-43.04
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Br	REAL300007597469	0	31	-1.0	-44.18	276.89	3.64	-40.54
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007597470	0	34	-1.0	-44.50	294.64	5.30	-39.20
CC(C)(NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300007597471	0	38	-1.0	-44.70	332.44	6.47	-38.23
CC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007597472	0	33	-1.0	-43.68	291.91	4.71	-38.97
COCCOC1=C(Cl)C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300007597473	0	39	-1.0	-41.60	359.34	3.19	-38.41
CC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007597474	0	32	-1.0	-44.33	282.85	2.10	-42.23
CC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007597475	0	35	-1.0	-47.69	305.55	3.77	-43.92
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597476	0	43	-1.0	-44.78	333.27	3.34	-41.44
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597477	0	39	-1.0	-49.20	323.98	1.98	-47.22
CC1=C(Br)C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007597480	0	33	-1.0	-40.43	301.47	4.22	-36.21
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597481	0	39	-1.0	-50.69	330.42	2.72	-47.97
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C	REAL300007597482	0	39	-1.0	-49.02	329.39	-0.58	-49.60
CC(C)(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007597483	0	46	-1.0	-42.90	324.56	4.53	-38.37
CC1=NC2=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=CC=C2C=C1	REAL300007597484	0	36	-1.0	-55.24	301.15	3.75	-51.49
CC(C)(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007597485	0	36	-1.0	-53.20	304.57	4.57	-48.63
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300007597486	0	46	-1.0	-48.71	382.29	5.17	-43.54
CC(C)(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007597487	0	39	-1.0	-44.88	314.93	0.93	-43.95
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597488	0	42	-1.0	-49.16	362.66	3.57	-45.59
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597489	0	42	-1.0	-48.94	356.43	3.76	-45.18
COCCOCCOCCS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597490	0	42	-1.0	-46.46	346.84	0.00	-46.46
CC(COC1CCCC1)CS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597491	0	44	-1.0	-38.34	339.74	3.99	-34.35
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007597492	0	43	-1.0	-48.39	363.64	3.86	-44.53
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597493	0	35	-1.0	-43.09	306.80	2.77	-40.32
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(OC)=C1	REAL300007597494	0	46	-1.0	-51.53	384.82	0.77	-50.76
CC(C)(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007597495	0	36	-1.0	-45.87	295.85	0.23	-45.64
COC1=CC(Br)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597496	0	32	-1.0	-43.18	288.72	2.40	-40.78
CC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007597497	0	32	-1.0	-43.85	284.67	2.69	-41.16
COC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007597498	0	34	-1.0	-43.36	293.94	3.21	-40.15
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597499	0	34	-1.0	-41.40	294.84	4.43	-36.97
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597500	0	34	-1.0	-41.73	293.43	4.30	-37.43
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007597501	0	34	-1.0	-41.82	291.81	3.95	-37.87
CC(C)(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007597502	0	35	-1.0	-48.85	302.32	3.02	-45.83
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1C	REAL300007597503	0	55	-1.0	-44.50	428.00	6.89	-37.61
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1F	REAL300007597504	0	42	-1.0	-44.45	347.91	0.35	-44.10
CC(C)(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007597505	0	36	-1.0	-40.16	311.83	4.85	-35.31
CC(C)(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007597506	0	31	-1.0	-40.22	283.41	4.01	-36.21
CC(C)(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007597507	0	31	-1.0	-46.05	279.44	3.84	-42.21
CC(C)(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007597508	0	35	-1.0	-57.01	302.45	0.33	-56.68
CC1=CC(Br)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597509	0	31	-1.0	-42.18	281.38	3.74	-38.44
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597510	0	31	-1.0	-42.87	272.95	3.83	-39.04
COC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1Br	REAL300007597511	0	32	-1.0	-42.73	287.87	2.44	-40.29
COC1=CC(OC)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300007597512	0	36	-1.0	-46.41	314.14	2.20	-44.21
CC(C)(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007597513	0	31	-1.0	-49.68	281.77	1.54	-48.14
CC(C)(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007597514	0	39	-1.0	-44.55	315.39	3.71	-40.84
CC(C)(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007597515	0	31	-1.0	-50.43	280.54	1.70	-48.73
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597516	0	39	-1.0	-48.66	297.67	-0.07	-48.73
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1I	REAL300007597517	0	31	-1.0	-44.12	282.73	4.08	-40.04
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597518	0	40	-1.0	-50.32	342.53	1.68	-48.64
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597519	0	45	-1.0	-51.36	375.50	2.19	-49.17
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597520	0	45	-1.0	-52.16	381.57	0.97	-51.19
CC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007597521	0	36	-1.0	-46.14	316.25	-0.75	-46.89
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300007597522	0	42	-1.0	-51.40	372.74	0.05	-51.35
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(OC)=C1	REAL300007597523	0	43	-1.0	-51.78	363.32	-0.01	-51.79
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(F)=C1	REAL300007597524	0	42	-1.0	-54.38	362.56	1.10	-53.28
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597525	0	42	-1.0	-47.79	358.02	0.26	-47.53
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597526	0	39	-1.0	-59.32	319.40	2.46	-56.86
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1F	REAL300007597527	0	42	-1.0	-45.07	359.22	0.93	-44.14
CC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007597528	0	43	-1.0	-48.07	341.55	3.45	-44.62
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1F	REAL300007597529	0	39	-1.0	-45.19	337.72	0.14	-45.05
CC(C)(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007597530	0	43	-1.0	-47.00	351.13	2.88	-44.12
CC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007597531	0	40	-1.0	-53.02	329.82	2.46	-50.56
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597532	0	37	-1.0	-53.83	321.29	0.98	-52.85
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597533	0	38	-1.0	-53.51	329.40	-0.20	-53.71
CCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Br	REAL300007597534	0	35	-1.0	-43.31	309.15	3.34	-39.97
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007597535	0	42	-1.0	-46.96	346.15	5.53	-41.43
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007597536	0	32	-1.0	-43.80	294.99	3.14	-40.66
CC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007597537	0	34	-1.0	-44.43	319.11	0.60	-43.83
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597538	0	35	-1.0	-46.43	309.98	3.27	-43.16
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2S1	REAL300007597539	0	42	-1.0	-44.31	351.43	4.42	-39.89
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597540	0	35	-1.0	-45.99	308.15	3.48	-42.51
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C21	REAL300007597541	0	40	-1.0	-45.90	328.80	4.01	-41.89
CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597542	0	35	-1.0	-45.36	302.20	-2.58	-47.94
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007597543	0	34	-1.0	-42.68	292.57	4.05	-38.63
CC(C)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007597544	0	31	-1.0	-42.81	293.22	4.35	-38.46
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007597545	0	34	-1.0	-44.13	305.24	5.35	-38.78
CC(C)(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007597546	0	31	-1.0	-46.09	292.89	4.45	-41.64
CC(C)(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007597547	0	34	-1.0	-50.49	296.96	5.39	-45.10
CC(C)(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007597548	0	34	-1.0	-45.31	299.67	4.26	-41.05
CC(C)(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007597549	0	39	-1.0	-46.38	319.90	3.92	-42.46
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007597550	0	42	-1.0	-46.73	354.50	5.83	-40.90
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597551	0	41	-1.0	-50.75	344.91	4.00	-46.75
CC(C)(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007597552	0	39	-1.0	-50.10	338.76	-0.36	-50.46
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007597553	0	37	-1.0	-44.56	308.00	5.40	-39.16
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1N(C)C	REAL300007597554	0	39	-1.0	-44.65	313.00	3.13	-41.52
CC(C)(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007597555	0	34	-1.0	-45.90	301.36	4.64	-41.26
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300007597556	0	35	-1.0	-42.42	300.52	3.17	-39.25
CC(C)(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007597557	0	37	-1.0	-49.12	322.81	0.91	-48.21
CSC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300007597558	0	32	-1.0	-43.20	293.16	3.95	-39.25
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597559	0	40	-1.0	-44.94	314.64	2.79	-42.15
CC(C)(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007597560	0	36	-1.0	-45.00	308.92	1.01	-43.99
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C12	REAL300007597561	0	35	-1.0	-43.69	299.14	0.07	-43.62
CC(C)(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007597562	0	39	-1.0	-44.04	334.42	2.20	-41.84
CC(C)(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007597563	0	34	-1.0	-43.49	305.24	5.32	-38.17
CCC1=CC(CC)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(CC)=C1	REAL300007597564	0	46	-1.0	-43.10	337.32	7.11	-35.99
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597565	1	43	-1.0	-46.14	356.11	-0.33	-46.47
CC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007597566	0	34	-1.0	-42.23	306.46	0.45	-41.78
CC(C)(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007597567	0	37	-1.0	-49.67	305.05	6.31	-43.36
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=C1F	REAL300007597568	0	35	-1.0	-45.09	290.08	2.73	-42.36
CC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007597569	0	37	-1.0	-44.26	298.13	3.83	-40.43
CC(C)(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007597571	0	36	-1.0	-44.13	307.12	3.64	-40.49
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597572	0	35	-1.0	-42.75	310.66	2.69	-40.06
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007597574	0	28	-1.0	-40.44	269.98	2.62	-37.82
CC(C)(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007597575	0	41	-1.0	-40.92	327.09	5.98	-34.94
CC(C)(C)C1=CC(CS(=O)(=O)NC(C)(C)C(=O)[O-])=NO1	REAL300007597576	0	39	-1.0	-43.18	320.14	3.40	-39.78
CC(C)(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007597577	0	37	-1.0	-51.77	299.90	-0.25	-52.02
CC(C)(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007597578	0	31	-1.0	-42.75	275.67	3.24	-39.51
COC1=CC=C2C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])CCC2=C1	REAL300007597579	0	40	-1.0	-45.48	322.10	4.18	-41.30
CC(C)(CCS(=O)(=O)NC(C)(C)C(=O)[O-])S(C)(=O)=O	REAL300007597580	0	39	-1.0	-52.79	311.62	-0.21	-53.00
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C12	REAL300007597581	0	43	-1.0	-47.03	361.96	5.64	-41.39
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C12	REAL300007597582	0	47	-1.0	-44.97	379.45	3.14	-41.83
CCC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007597583	0	36	-1.0	-47.46	300.42	4.31	-43.15
CC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007597584	0	28	-1.0	-41.98	259.24	3.09	-38.89
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597585	0	33	-1.0	-42.89	282.59	3.96	-38.93
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597586	0	35	-1.0	-45.93	312.06	3.80	-42.13
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597587	0	43	-1.0	-43.57	330.63	5.61	-37.96
CC(C)(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007597588	0	31	-1.0	-43.02	277.00	3.48	-39.54
CC(C)(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007597589	0	31	-1.0	-48.79	263.43	4.06	-44.73
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007597590	0	34	-1.0	-49.29	293.45	3.22	-46.07
CC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300007597591	0	44	-1.0	-48.32	365.34	-0.03	-48.35
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597592	0	45	-1.0	-47.78	375.63	2.18	-45.60
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597593	0	39	-1.0	-47.90	334.25	0.47	-47.43
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Br	REAL300007597594	0	32	-1.0	-43.66	287.85	2.44	-41.22
CC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007597595	0	34	-1.0	-40.15	316.62	4.49	-35.66
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1Br	REAL300007597596	0	31	-1.0	-41.99	278.11	3.65	-38.34
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2)=C1	REAL300007597597	0	42	-1.0	-44.69	349.63	6.03	-38.66
CC(C)(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007597598	0	32	-1.0	-41.64	283.95	2.27	-39.37
CC1=C(C)C(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=C1C	REAL300007597599	0	43	-1.0	-45.75	311.48	5.68	-40.07
CC(C)(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007597600	0	37	-1.0	-45.11	299.76	2.37	-42.74
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597601	0	44	-1.0	-48.35	344.99	4.66	-43.69
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C21	REAL300007597602	0	35	-1.0	-46.74	313.48	4.86	-41.88
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007597603	0	33	-1.0	-48.21	283.74	3.77	-44.44
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597604	0	32	-1.0	-45.73	290.00	2.90	-42.83
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597605	0	46	-1.0	-43.38	342.64	6.49	-36.89
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007597606	0	31	-1.0	-41.93	276.67	3.47	-38.46
COC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597607	0	36	-1.0	-48.71	298.19	1.59	-47.12
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1OC	REAL300007597608	0	36	-1.0	-45.32	296.12	1.67	-43.65
CC(C)CCC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597609	0	43	-1.0	-43.88	342.33	5.97	-37.91
CCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1OCC	REAL300007597610	0	42	-1.0	-45.89	340.40	3.52	-42.37
CC(C)(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007597611	0	33	-1.0	-49.13	293.11	-2.58	-51.71
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007597612	0	36	-1.0	-43.78	302.47	4.28	-39.50
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1C	REAL300007597613	0	36	-1.0	-42.20	300.05	4.57	-37.63
CC1=CC2=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C2N=C1	REAL300007597614	0	36	-1.0	-54.70	301.89	3.88	-50.82
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007597615	0	34	-1.0	-53.47	285.71	3.23	-50.24
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597616	0	32	-1.0	-44.90	285.22	2.89	-42.01
CC(C)(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007597617	0	33	-1.0	-52.22	293.36	-2.48	-54.70
CC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007597618	0	40	-1.0	-49.44	346.40	0.29	-49.15
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597619	0	36	-1.0	-46.11	309.61	4.26	-41.85
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CN=C12	REAL300007597620	0	36	-1.0	-46.73	294.93	3.77	-42.96
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C	REAL300007597621	0	36	-1.0	-54.24	295.66	5.24	-49.00
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597622	0	39	-1.0	-51.25	334.69	0.56	-50.69
CC(C)(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007597623	0	40	-1.0	-53.10	324.96	1.94	-51.16
CC(C)(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007597624	0	34	-1.0	-54.68	299.40	-0.01	-54.69
CC(C)(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007597625	0	38	-1.0	-46.96	304.03	6.38	-40.58
CC(C)(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007597626	0	38	-1.0	-45.35	311.15	5.84	-39.51
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=CC=C12	REAL300007597627	0	42	-1.0	-46.57	333.07	4.69	-41.88
CC(C)(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007597628	0	29	-1.0	-51.89	265.19	0.93	-50.96
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597629	0	32	-1.0	-45.87	285.44	2.80	-43.07
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597630	0	43	-1.0	-43.77	329.30	5.25	-38.52
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597631	0	38	-1.0	-44.09	306.74	3.28	-40.81
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007597632	0	33	-1.0	-49.70	294.99	4.92	-44.78
CC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007597633	0	39	-1.0	-46.45	344.53	5.89	-40.56
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597634	0	34	-1.0	-43.84	296.75	3.01	-40.83
CC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007597635	0	39	-1.0	-43.41	344.95	5.87	-37.54
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2)C=C1	REAL300007597636	0	43	-1.0	-44.62	356.59	4.62	-40.00
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C(C)C)=C1	REAL300007597637	0	55	-1.0	-42.31	389.77	8.07	-34.24
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300007597638	0	44	-1.0	-47.14	348.40	5.79	-41.35
CC(C)(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007597639	0	31	-1.0	-43.15	294.43	4.26	-38.89
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300007597640	0	38	-1.0	-47.81	308.59	4.23	-43.58
CC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300007597641	0	46	-1.0	-47.50	374.09	2.39	-45.11
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007597642	0	44	-1.0	-48.03	357.06	0.11	-47.92
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597643	0	33	-1.0	-41.18	284.32	4.09	-37.09
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597644	0	33	-1.0	-46.10	277.30	3.82	-42.28
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597645	0	36	-1.0	-44.19	299.24	5.03	-39.16
COCCC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597646	0	38	-1.0	-44.54	315.44	2.98	-41.56
COC1=C(C)C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C	REAL300007597647	0	38	-1.0	-44.05	311.61	3.33	-40.72
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597648	0	44	-1.0	-43.94	349.87	4.80	-39.14
CC(C)(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007597649	0	42	-1.0	-43.87	333.79	4.71	-39.16
CC(C)COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597650	0	41	-1.0	-44.10	330.90	4.20	-39.90
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597651	0	38	-1.0	-44.12	310.80	3.50	-40.62
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Cl	REAL300007597652	0	32	-1.0	-43.62	283.46	2.33	-41.29
CC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007597653	0	32	-1.0	-44.25	292.66	2.57	-41.68
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1OC(C)C	REAL300007597654	0	41	-1.0	-44.49	326.76	4.01	-40.48
COCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597655	0	39	-1.0	-46.29	323.35	1.97	-44.32
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597656	0	31	-1.0	-41.53	277.38	4.05	-37.48
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1C	REAL300007597657	0	36	-1.0	-55.38	284.13	5.18	-50.20
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597658	0	37	-1.0	-49.41	315.08	0.82	-48.59
CC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007597659	0	40	-1.0	-48.03	347.70	0.32	-47.71
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597660	0	36	-1.0	-48.53	315.26	-1.36	-49.89
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597661	0	36	-1.0	-52.67	298.69	0.94	-51.73
CC(C)(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007597662	0	38	-1.0	-47.28	312.15	5.89	-41.39
CC(C)(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007597663	0	31	-1.0	-37.04	295.52	4.39	-32.65
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S2)=CS1	REAL300007597664	0	34	-1.0	-45.17	316.89	2.97	-42.20
CC(C)(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007597665	0	48	-1.0	-43.95	372.89	6.08	-37.87
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597666	0	36	-1.0	-54.11	301.83	3.89	-50.22
CNC(=O)C1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CN1C	REAL300007597667	0	36	-1.0	-47.55	301.95	0.14	-47.41
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=C1	REAL300007597668	0	38	-1.0	-44.01	295.38	3.33	-40.68
CC(C)(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007597669	0	39	-1.0	-45.92	322.17	6.59	-39.33
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C	REAL300007597670	0	38	-1.0	-43.46	304.46	3.37	-40.09
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007597671	0	36	-1.0	-47.07	285.79	3.70	-43.37
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C2	REAL300007597672	0	41	-1.0	-48.11	336.92	6.26	-41.85
CCN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007597673	0	33	-1.0	-54.73	289.41	3.27	-51.46
CC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007597674	0	35	-1.0	-45.71	309.28	3.16	-42.55
CC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007597675	0	42	-1.0	-45.24	349.19	5.75	-39.49
CC(C)(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007597676	0	38	-1.0	-47.67	323.76	4.04	-43.63
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597677	0	50	-1.0	-44.35	370.73	5.81	-38.54
CC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007597678	0	36	-1.0	-51.42	314.35	-0.95	-52.37
CC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007597679	0	43	-1.0	-49.31	361.07	1.70	-47.61
CCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300007597680	0	41	-1.0	-47.32	329.83	5.11	-42.21
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597681	0	38	-1.0	-48.52	312.18	3.85	-44.67
CC(C)(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007597682	0	33	-1.0	-56.99	287.40	2.74	-54.25
CC(C)(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007597683	0	35	-1.0	-47.48	298.17	3.54	-43.94
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597684	0	42	-1.0	-46.31	345.20	2.93	-43.38
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597685	0	44	-1.0	-44.04	353.80	5.06	-38.98
CC(C)(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007597686	0	34	-1.0	-47.78	287.54	4.37	-43.41
CC(C)(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007597687	0	32	-1.0	-41.76	294.35	3.94	-37.82
CC(C)(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007597688	0	36	-1.0	-52.96	302.40	3.83	-49.13
CC(C)(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007597689	0	33	-1.0	-49.26	286.30	2.63	-46.63
CCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=C1	REAL300007597690	0	38	-1.0	-44.06	306.89	3.64	-40.42
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597691	0	36	-1.0	-51.26	314.00	-1.39	-52.65
CC(C)(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007597692	0	32	-1.0	-47.20	278.26	2.63	-44.57
CC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300007597693	0	46	-1.0	-50.92	375.04	2.45	-48.47
CC(C)(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007597694	0	34	-1.0	-40.32	301.17	4.42	-35.90
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597695	0	39	-1.0	-45.16	306.70	4.88	-40.28
CC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007597696	0	34	-1.0	-48.67	282.43	2.15	-46.52
CC(C)(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007597697	0	40	-1.0	-46.60	331.90	4.46	-42.14
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(F)(F)F	REAL300007597698	0	34	-1.0	-44.59	291.81	3.96	-40.63
CC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007597699	0	34	-1.0	-44.58	311.99	3.81	-40.77
CC(C)(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007597700	0	37	-1.0	-45.33	303.96	4.16	-41.17
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C12	REAL300007597701	0	36	-1.0	-44.66	304.26	2.10	-42.56
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597702	0	35	-1.0	-46.99	308.56	3.29	-43.70
CC(C)(NS(=O)(=O)C1=C2OC(C)(C)CC2=CC=C1)C(=O)[O-]	REAL300007597703	0	39	-1.0	-51.66	318.23	3.84	-47.82
CC(C)(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007597704	0	40	-1.0	-56.09	335.08	0.97	-55.12
CC(C)(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007597705	0	35	-1.0	-44.10	308.51	3.09	-41.01
COC1=CC(OC)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Br	REAL300007597706	0	36	-1.0	-46.41	318.53	2.31	-44.10
CC(C)(NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300007597707	0	41	-1.0	-52.13	360.21	4.75	-47.38
CC(C)(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007597708	0	36	-1.0	-51.66	300.73	3.11	-48.55
CC(C)(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007597709	0	31	-1.0	-44.34	288.22	4.26	-40.08
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597710	0	40	-1.0	-51.02	328.18	1.46	-49.56
CC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007597711	0	39	-1.0	-45.06	344.81	5.89	-39.17
CC(C)(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007597712	0	34	-1.0	-47.47	307.05	3.61	-43.86
CC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007597713	0	34	-1.0	-44.37	322.31	4.26	-40.11
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2)=CO1	REAL300007597714	0	37	-1.0	-49.28	314.43	1.51	-47.77
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007597715	0	31	-1.0	-49.66	278.39	1.33	-48.33
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=N2)C=C1	REAL300007597716	0	38	-1.0	-47.09	319.51	4.23	-42.86
CC1CC2=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC(Cl)=C2O1	REAL300007597717	0	36	-1.0	-42.78	312.58	3.57	-39.21
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007597718	0	33	-1.0	-41.88	282.01	3.63	-38.25
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=N1	REAL300007597719	0	39	-1.0	-50.60	325.34	3.19	-47.41
CC(C)(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007597720	0	30	-1.0	-44.14	270.98	1.86	-42.28
CC1=CC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2C=C1	REAL300007597721	0	37	-1.0	-45.66	305.34	5.38	-40.28
CC(C)(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007597722	0	34	-1.0	-39.05	300.35	4.70	-34.35
CN1CCCC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C21	REAL300007597723	0	40	-1.0	-45.92	313.16	3.01	-42.91
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007597724	0	30	-1.0	-42.60	272.43	1.71	-40.89
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597725	0	36	-1.0	-52.83	292.61	2.95	-49.88
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597726	0	36	-1.0	-44.71	299.19	4.56	-40.15
CC1=CC=C(C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007597727	0	36	-1.0	-51.40	293.27	5.68	-45.72
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007597728	0	36	-1.0	-43.56	298.97	4.52	-39.04
COC1=CC=C(CCS(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597729	0	38	-1.0	-41.57	313.12	3.48	-38.09
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300007597730	0	37	-1.0	-43.61	310.43	4.07	-39.54
COC1=CC(OC)=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597731	0	36	-1.0	-46.47	297.68	1.08	-45.39
CC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)C(=O)[O-])OCO2	REAL300007597732	0	34	-1.0	-43.00	280.47	1.96	-41.04
COC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1Cl	REAL300007597733	0	32	-1.0	-42.84	283.48	2.33	-40.51
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007597734	0	36	-1.0	-52.57	291.64	4.47	-48.10
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597735	0	36	-1.0	-40.85	293.53	4.83	-36.02
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597736	0	38	-1.0	-48.31	301.24	4.39	-43.92
CC(C)(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007597737	0	34	-1.0	-54.48	287.68	3.97	-50.51
CC(C)(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007597738	0	35	-1.0	-50.29	293.95	2.23	-48.06
CC(C)(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007597739	0	41	-1.0	-39.84	339.14	4.24	-35.60
CC(C)(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007597740	0	32	-1.0	-55.43	278.14	2.56	-52.87
CC(C)(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007597741	0	30	-1.0	-52.41	271.76	2.00	-50.41
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2)=N1	REAL300007597742	0	37	-1.0	-44.99	323.36	3.94	-41.05
CC(C)(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007597743	0	35	-1.0	-50.53	303.82	0.34	-50.19
CC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007597744	0	37	-1.0	-50.29	302.15	2.95	-47.34
CC(C)(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007597745	0	31	-1.0	-44.17	282.43	3.81	-40.36
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597746	0	53	-1.0	-43.91	418.29	7.40	-36.51
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597747	0	38	-1.0	-45.78	333.15	4.69	-41.09
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597748	0	41	-1.0	-46.91	328.98	4.14	-42.77
COC(CS(=O)(=O)NC(C)(C)C(=O)[O-])C1CCCCC1	REAL300007597749	0	44	-1.0	-45.71	329.61	3.88	-41.83
CC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007597750	0	42	-1.0	-45.03	355.42	5.83	-39.20
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300007597751	0	47	-1.0	-44.19	369.40	5.52	-38.67
CCC1=NC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CN1CC1CC1	REAL300007597752	0	41	-1.0	-52.08	333.43	4.71	-47.37
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007597753	0	36	-1.0	-45.96	303.37	4.90	-41.06
CC(C)(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007597754	0	41	-1.0	-44.40	338.56	4.76	-39.64
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597755	0	31	-1.0	-40.71	279.54	1.06	-39.65
CC(C)(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007597756	0	39	-1.0	-46.28	338.57	6.62	-39.66
CC(C)(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007597757	0	38	-1.0	-50.19	306.03	6.03	-44.16
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007597758	0	48	-1.0	-45.10	393.38	7.35	-37.75
CCC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(C)C=C1OC	REAL300007597759	0	41	-1.0	-43.41	326.08	4.12	-39.29
CC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007597760	0	34	-1.0	-41.49	309.87	4.35	-37.14
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007597761	0	37	-1.0	-49.04	292.60	5.74	-43.30
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=N1	REAL300007597762	0	37	-1.0	-42.62	307.03	0.91	-41.71
CCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300007597763	0	44	-1.0	-44.58	347.90	4.72	-39.86
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1F	REAL300007597764	0	40	-1.0	-44.01	316.15	4.73	-39.28
CC(C)(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007597765	0	47	-1.0	-44.55	364.37	7.10	-37.45
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597766	0	38	-1.0	-42.92	297.29	2.88	-40.04
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C(C)(C)C)=N1	REAL300007597767	0	40	-1.0	-43.22	309.21	2.77	-40.45
CC(C)(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007597768	0	38	-1.0	-44.85	305.18	2.73	-42.12
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597769	0	31	-1.0	-42.07	268.25	1.47	-40.60
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597770	0	35	-1.0	-47.21	298.23	2.84	-44.37
CCCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300007597771	0	50	-1.0	-44.11	391.26	6.29	-37.82
CC(C)(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007597772	0	32	-1.0	-43.56	288.88	4.37	-39.19
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(C)(C)C	REAL300007597773	0	50	-1.0	-44.40	381.96	6.19	-38.21
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1CC	REAL300007597774	0	44	-1.0	-44.12	352.85	4.97	-39.15
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597775	0	34	-1.0	-41.03	282.71	4.54	-36.49
COCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Br	REAL300007597776	0	39	-1.0	-45.27	342.77	2.61	-42.66
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597777	0	34	-1.0	-43.04	299.44	4.49	-38.55
CC(C)(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007597778	0	32	-1.0	-45.75	286.84	4.31	-41.44
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597779	0	44	-1.0	-46.06	355.97	5.21	-40.85
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2)C=C1	REAL300007597780	0	43	-1.0	-44.11	367.28	6.35	-37.76
CC(C)(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007597781	0	38	-1.0	-41.58	303.07	3.00	-38.58
CC(C)(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007597782	0	39	-1.0	-48.35	315.41	0.54	-47.81
CC(C)(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007597783	0	34	-1.0	-45.61	304.65	3.52	-42.09
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300007597784	0	53	-1.0	-44.14	412.40	7.09	-37.05
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C	REAL300007597785	0	44	-1.0	-44.71	340.80	4.61	-40.10
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597786	0	38	-1.0	-46.61	314.79	3.94	-42.67
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1C(C)C	REAL300007597787	0	51	-1.0	-47.10	403.38	4.94	-42.16
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])S1	REAL300007597788	0	36	-1.0	-43.84	306.98	2.21	-41.63
CC(C)(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007597789	0	34	-1.0	-48.21	293.29	3.16	-45.05
CC(C)(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007597790	0	32	-1.0	-48.33	295.56	3.09	-45.24
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=C1F	REAL300007597791	0	37	-1.0	-44.25	290.35	4.87	-39.38
COC1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1OC	REAL300007597792	0	36	-1.0	-49.52	296.19	2.45	-47.07
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C2CCCC2)=N1	REAL300007597793	0	41	-1.0	-47.13	328.56	3.35	-43.78
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597794	0	40	-1.0	-45.61	316.97	2.91	-42.70
CCCCN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C)=N1	REAL300007597795	0	40	-1.0	-45.73	327.42	3.19	-42.54
CC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007597796	0	32	-1.0	-45.40	277.63	2.05	-43.35
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1Br	REAL300007597797	0	34	-1.0	-42.65	295.04	4.60	-38.05
CC(C)(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007597798	0	34	-1.0	-42.58	306.06	3.56	-39.02
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C2CCC2)=N1	REAL300007597799	0	38	-1.0	-47.12	312.42	2.87	-44.25
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597800	0	46	-1.0	-44.59	352.79	6.49	-38.10
CC(C)(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007597801	0	34	-1.0	-44.76	310.32	4.44	-40.32
CC(C)(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007597802	0	38	-1.0	-47.39	311.47	3.07	-44.32
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007597803	0	39	-1.0	-47.33	338.92	5.40	-41.93
COC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007597804	0	37	-1.0	-58.68	303.91	3.75	-54.93
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007597805	0	33	-1.0	-42.46	290.13	2.30	-40.16
CC(C)(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007597806	0	31	-1.0	-40.56	283.78	3.54	-37.02
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597807	0	39	-1.0	-53.24	323.71	4.61	-48.63
CC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007597808	0	39	-1.0	-44.53	306.73	5.53	-39.00
CC(C)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007597809	0	34	-1.0	-42.85	300.50	3.48	-39.37
CC(C)(NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007597810	0	35	-1.0	-46.94	292.95	1.04	-45.90
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597811	0	38	-1.0	-42.93	335.07	3.24	-39.69
CC(C)(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007597812	0	28	-1.0	-46.79	258.39	2.93	-43.86
CC(C)(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007597813	0	38	-1.0	-41.52	303.62	2.94	-38.58
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C2CCOCC2)=N1	REAL300007597814	0	42	-1.0	-46.52	337.79	1.57	-44.95
CC(C)(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007597815	0	34	-1.0	-46.47	292.34	4.09	-42.38
CC(C)(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007597816	0	32	-1.0	-46.04	277.74	2.05	-43.99
CC(C)(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007597817	0	43	-1.0	-43.24	332.54	5.67	-37.57
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=NC=CC=C12	REAL300007597818	0	39	-1.0	-53.64	308.94	5.03	-48.61
CC(C)(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007597819	0	36	-1.0	-45.39	287.89	2.62	-42.77
CCOCC1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597820	0	38	-1.0	-46.16	316.04	3.25	-42.91
CC(C)(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007597821	0	31	-1.0	-46.22	296.89	4.60	-41.62
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597822	0	38	-1.0	-44.26	317.58	3.63	-40.63
CC(C)(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007597823	0	41	-1.0	-44.49	324.17	3.33	-41.16
CC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007597824	0	39	-1.0	-44.30	327.55	5.33	-38.97
CC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC(C)=C1Br	REAL300007597825	0	34	-1.0	-41.96	295.72	4.19	-37.77
CC(C)(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007597826	0	31	-1.0	-46.22	296.89	4.60	-41.62
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300007597827	0	37	-1.0	-48.79	298.08	5.41	-43.38
CN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007597828	0	38	-1.0	-49.86	316.11	4.04	-45.82
CC(C)(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007597829	0	32	-1.0	-43.54	293.44	4.46	-39.08
CC(C)(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007597830	0	32	-1.0	-43.38	293.44	4.47	-38.91
CC(C)(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007597831	0	30	-1.0	-47.40	269.32	1.85	-45.55
CC1=NC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007597832	0	37	-1.0	-48.93	312.32	2.42	-46.51
CC(C)(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007597833	0	45	-1.0	-40.80	315.31	5.54	-35.26
CC(C)(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007597834	0	36	-1.0	-52.53	308.74	-0.52	-53.05
CC(C)(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007597835	0	32	-1.0	-51.29	287.88	1.73	-49.56
CC(C)(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007597836	0	38	-1.0	-46.85	321.23	5.49	-41.36
CC(C)(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007597837	0	50	-1.0	-45.10	367.43	6.63	-38.47
COC1=CC=C(C=C(C)S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597838	0	39	-1.0	-45.73	317.99	3.68	-42.05
COC1=CSC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1OC	REAL300007597839	0	33	-1.0	-44.12	290.14	0.41	-43.71
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597840	0	39	-1.0	-44.93	316.55	4.86	-40.07
CC(C)(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007597841	0	32	-1.0	-46.99	288.74	3.33	-43.66
COC1=CC(F)=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(F)=C1	REAL300007597842	0	32	-1.0	-47.01	275.19	2.03	-44.98
CC(C)(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007597843	0	32	-1.0	-46.97	283.44	2.12	-44.85
CC(C)(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007597844	0	37	-1.0	-42.63	315.82	2.92	-39.71
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597845	0	41	-1.0	-45.66	330.98	4.78	-40.88
CC(C)(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007597846	0	39	-1.0	-47.54	328.04	5.39	-42.15
CC(C)(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007597847	0	34	-1.0	-52.94	276.67	4.59	-48.35
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007597848	0	29	-1.0	-48.55	281.92	1.41	-47.14
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597849	0	39	-1.0	-47.45	322.80	4.19	-43.26
CCN1C=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C2CC2)=N1	REAL300007597850	0	38	-1.0	-47.45	318.62	3.22	-44.23
CC1=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300007597851	0	32	-1.0	-48.12	275.55	1.95	-46.17
CC(C)(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007597852	0	34	-1.0	-43.61	300.68	5.22	-38.39
CC(C)(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007597853	0	38	-1.0	-43.60	328.10	6.36	-37.24
CC(C)(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007597854	0	27	-1.0	-39.08	264.29	0.61	-38.47
CCC1=CC(S(=O)(=O)NC(C)(C)C(=O)[O-])=CC=C1Br	REAL300007597855	0	34	-1.0	-41.96	296.42	4.32	-37.64
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597856	0	41	-1.0	-43.38	324.77	3.63	-39.75
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597857	0	42	-1.0	-48.20	345.48	2.76	-45.44
CC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007597858	0	34	-1.0	-47.06	298.81	5.46	-41.60
CN1N=C2CCOCC2=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597859	0	36	-1.0	-43.43	288.38	0.49	-42.94
CC(C)(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300007597860	0	34	-1.0	-44.56	302.95	2.26	-42.30
CC(C)(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007597861	0	43	-1.0	-44.30	339.36	2.80	-41.50
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597862	0	31	-1.0	-43.97	283.09	0.21	-43.76
CC(C)(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007597863	0	38	-1.0	-44.95	293.85	0.41	-44.54
CC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007597864	0	33	-1.0	-44.03	291.94	4.72	-39.31
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])N=C1	REAL300007597865	0	39	-1.0	-47.14	312.15	3.33	-43.81
CC(C)(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007597866	0	35	-1.0	-46.94	290.05	3.66	-43.28
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C1	REAL300007597867	0	42	-1.0	-44.64	348.35	6.07	-38.57
CC(C)(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007597868	0	31	-1.0	-42.18	270.35	2.75	-39.43
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597869	0	36	-1.0	-51.38	290.16	-1.54	-52.92
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C=C2)C=C1	REAL300007597870	0	51	-1.0	-44.96	409.42	7.68	-37.28
COC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C(C(F)F)=C1	REAL300007597871	0	35	-1.0	-46.61	289.05	3.08	-43.53
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)C(=O)[O-]	REAL300007597872	0	34	-1.0	-43.45	305.21	0.66	-42.79
CC1=CC=C(S(=O)(=O)NC(C)(C)C(=O)[O-])C2=NC=CC=C12	REAL300007597873	0	36	-1.0	-54.75	298.24	3.78	-50.97
CC(C)(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007597874	0	35	-1.0	-48.46	313.25	3.48	-44.98
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)(C)C(=O)[O-])=C1	REAL300007597875	0	41	-1.0	-48.62	328.73	4.54	-44.08
O=C([O-])CC(NS(=O)(=O)C1=CC=CC=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597876	0	39	-1.0	-47.93	351.22	5.44	-42.49
CN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597877	0	37	-1.0	-45.66	327.05	2.60	-43.06
CCCCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597878	0	46	-1.0	-51.46	380.46	5.51	-45.95
CCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597879	0	41	-1.0	-46.64	357.63	4.71	-41.93
CCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597880	0	35	-1.0	-46.89	314.63	3.13	-43.76
CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597881	0	32	-1.0	-47.49	293.17	2.24	-45.25
CCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597882	0	38	-1.0	-46.74	336.13	3.93	-42.81
O=C([O-])CC(NS(=O)(=O)C1=CC=CS1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597883	0	36	-1.0	-40.76	347.05	4.69	-36.07
O=C([O-])CC(NS(=O)(=O)N1CCOCC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597884	0	42	-1.0	-51.23	356.06	2.92	-48.31
CN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)C=N1	REAL300007597885	0	39	-1.0	-46.08	360.01	3.32	-42.76
CCN(CC)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597886	0	43	-1.0	-51.83	361.02	5.00	-46.83
CC1=NNC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597887	0	39	-1.0	-51.16	353.36	3.47	-47.69
O=C([O-])CC(NS(=O)(=O)CCC1CC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597888	0	42	-1.0	-40.30	370.06	5.67	-34.63
O=C([O-])CC(NS(=O)(=O)CC1=NOC=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597889	0	38	-1.0	-44.94	351.84	3.62	-41.32
COCCC(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597890	0	45	-1.0	-38.12	383.29	3.90	-34.22
CCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597891	0	44	-1.0	-46.53	370.09	5.32	-41.21
COCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597892	0	45	-1.0	-47.06	384.80	3.77	-43.29
CC(C)(C)CCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597893	0	47	-1.0	-46.52	391.36	5.64	-40.88
CC1CCN(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007597894	0	44	-1.0	-52.26	379.41	5.36	-46.90
CC(C)CN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597895	0	46	-1.0	-51.07	398.39	5.59	-45.48
CCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597896	0	40	-1.0	-51.45	340.15	4.08	-47.37
CCCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597897	0	43	-1.0	-51.47	361.65	4.84	-46.63
COC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597898	0	42	-1.0	-47.30	366.96	3.39	-43.91
CN1N=NC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597899	0	38	-1.0	-45.81	348.04	2.22	-43.59
O=C([O-])CC(NS(=O)(=O)CCC1CCC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597900	0	45	-1.0	-40.23	387.29	6.20	-34.03
COCC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300007597901	0	43	-1.0	-54.34	354.19	5.17	-49.17
CN1C=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)=N1	REAL300007597902	0	39	-1.0	-48.57	360.81	3.12	-45.45
CCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597903	0	35	-1.0	-46.89	314.63	3.13	-43.76
CCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597904	0	41	-1.0	-46.64	357.63	4.71	-41.93
O=C([O-])CC(NS(=O)(=O)N1CCCCC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597905	0	44	-1.0	-51.54	365.28	5.42	-46.12
O=C([O-])CC(NS(=O)(=O)N1CCCC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597906	0	41	-1.0	-51.64	359.35	4.17	-47.47
CN1C=NC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300007597907	0	39	-1.0	-55.56	356.52	4.56	-51.00
O=C([O-])CC(NS(=O)(=O)C1=CC=CN=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597908	0	38	-1.0	-43.40	349.74	3.82	-39.58
CC(C)N(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597909	0	43	-1.0	-40.42	369.57	4.32	-36.10
O=C([O-])CC(NS(=O)(=O)C1CC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597910	0	36	-1.0	-52.88	331.24	4.50	-48.38
O=C([O-])CC(NS(=O)(=O)CC1CCCC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597911	0	45	-1.0	-40.09	381.97	6.06	-34.03
O=C([O-])CC(NS(=O)(=O)C1=CSC=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597912	0	36	-1.0	-39.98	346.65	4.57	-35.41
CN(C1CC1)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597913	0	41	-1.0	-51.00	359.07	5.07	-45.93
COCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597914	0	39	-1.0	-47.09	348.31	2.20	-44.89
O=C([O-])CC(NS(=O)(=O)CC1CCCO1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597915	0	43	-1.0	-43.60	372.99	3.73	-39.87
O=C([O-])CC(NS(=O)(=O)CC1CC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597916	0	39	-1.0	-40.59	348.53	4.87	-35.72
CN1N=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597917	0	39	-1.0	-41.27	346.16	3.07	-38.20
O=C([O-])CC(NS(=O)(=O)CC1CCOC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597918	0	43	-1.0	-47.70	366.90	3.37	-44.33
CCCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597919	0	44	-1.0	-46.62	379.13	5.49	-41.13
CN(CC1CC1)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597920	0	44	-1.0	-51.18	381.78	5.98	-45.20
O=C([O-])CC(NS(=O)(=O)C1=CC=CO1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597921	0	36	-1.0	-42.92	339.28	3.72	-39.20
O=C([O-])CC(NS(=O)(=O)C1=COC=C1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597922	0	36	-1.0	-42.84	338.05	3.54	-39.30
O=C([O-])CC(NS(=O)(=O)C1CCOC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597923	0	40	-1.0	-40.20	346.76	2.64	-37.56
C=CCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597924	0	39	-1.0	-46.47	348.94	4.49	-41.98
O=C([O-])CC(NS(=O)(=O)C1=CNC=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597925	0	36	-1.0	-49.50	337.83	3.11	-46.39
O=C([O-])CC(NS(=O)(=O)CCCF)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597926	0	38	-1.0	-47.74	342.73	4.07	-43.67
O=C([O-])CC(NS(=O)(=O)CCCCF)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597927	0	41	-1.0	-47.63	364.23	4.85	-42.78
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)O1	REAL300007597928	0	39	-1.0	-43.85	361.17	4.55	-39.30
C=C(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597929	0	39	-1.0	-46.67	348.86	4.37	-42.30
C=CCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597930	0	42	-1.0	-46.93	370.44	5.27	-41.66
O=C([O-])CC(NS(=O)(=O)CC1CCC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597931	0	42	-1.0	-40.39	365.18	5.41	-34.98
CC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300007597932	0	39	-1.0	-53.95	339.39	5.49	-48.46
CCC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300007597933	0	42	-1.0	-42.18	335.43	5.89	-36.29
O=C([O-])CC(NS(=O)(=O)CCCC1CC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597934	0	45	-1.0	-40.12	392.01	6.46	-33.66
O=C([O-])CC(NS(=O)(=O)C1=CC=CC=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597935	0	38	-1.0	-46.78	351.75	3.79	-42.99
CN(C1CCC1)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597936	0	44	-1.0	-50.82	375.98	4.93	-45.89
O=C([O-])CC(NC(=O)N1CCC(F)(F)CC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597937	0	43	-1.0	-51.44	361.91	8.63	-42.81
CN(C(C)(C)C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597938	0	46	-1.0	-38.74	381.06	5.10	-33.64
O=C([O-])CC(NS(=O)(=O)N1CC2CC1C2)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597939	0	42	-1.0	-53.52	365.40	5.44	-48.08
CCOCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC(F)(F)F)C=C1	REAL300007597940	0	45	-1.0	-47.96	391.66	3.96	-44.00
CC1=COC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300007597941	0	39	-1.0	-51.73	363.77	4.57	-47.16
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC(F)(F)F)C=C2)O1	REAL300007597942	0	39	-1.0	-43.85	361.17	4.55	-39.30
O=C([O-])CC(NS(=O)(=O)C1=CN=CS1)C1=CC=C(OC(F)(F)F)C=C1	REAL300007597943	0	35	-1.0	-41.44	341.95	2.78	-38.66
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2)=C1	REAL300007597944	0	39	-1.0	-45.88	338.12	5.12	-40.76
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300007597945	0	39	-1.0	-52.99	349.14	5.42	-47.57
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(C(C)=O)=C2)=C1	REAL300007597946	0	44	-1.0	-61.20	383.22	5.74	-55.46
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)N(C)C)=C1	REAL300007597947	0	37	-1.0	-43.58	312.85	2.79	-40.79
CCCCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007597948	0	46	-1.0	-43.68	379.27	5.21	-38.47
CCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007597949	0	41	-1.0	-43.51	343.26	4.47	-39.04
CCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007597950	0	38	-1.0	-43.55	321.76	3.69	-39.86
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CS2)=C1	REAL300007597951	0	36	-1.0	-56.22	334.64	4.36	-51.86
CCC(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300007597952	0	51	-1.0	-55.74	421.35	7.98	-47.76
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)S2)=C1	REAL300007597953	0	39	-1.0	-55.35	349.25	4.78	-50.57
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300007597954	0	36	-1.0	-42.13	348.29	4.83	-37.30
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=CC=C2OC)=C1	REAL300007597955	0	46	-1.0	-49.17	381.60	5.92	-43.25
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)N2CCOCC2)=C1	REAL300007597956	0	42	-1.0	-54.35	341.21	2.41	-51.94
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(Cl)C=C2C)=C1	REAL300007597957	0	42	-1.0	-44.80	356.43	6.61	-38.19
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)N=C2)=C1	REAL300007597958	0	39	-1.0	-58.32	340.07	2.65	-55.67
CCN(CC)S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007597959	0	43	-1.0	-54.92	353.64	4.83	-50.09
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)N(C)C2CCCCC2)=C1	REAL300007597960	0	50	-1.0	-55.22	393.49	6.44	-48.78
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)N(C)N=C2C)=C1	REAL300007597961	0	45	-1.0	-49.98	375.46	4.13	-45.85
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300007597962	0	45	-1.0	-49.94	383.21	4.27	-45.67
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300007597963	0	45	-1.0	-56.13	385.64	6.79	-49.34
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CNN=C2C)=C1	REAL300007597964	0	39	-1.0	-54.94	336.85	3.02	-51.92
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=C1	REAL300007597965	0	44	-1.0	-59.66	372.99	7.50	-52.16
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)CCC2=CC=CC(Cl)=C2)=C1	REAL300007597966	0	45	-1.0	-44.94	398.40	7.22	-37.72
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=CC(F)=C2)=C1	REAL300007597967	0	42	-1.0	-56.14	370.55	6.08	-50.06
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)CCC2CC2)=C1	REAL300007597968	0	42	-1.0	-44.02	353.57	5.16	-38.86
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1	REAL300007597969	0	45	-1.0	-48.39	382.55	5.66	-42.73
COCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300007597970	0	46	-1.0	-56.82	397.82	5.08	-51.74
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)C=N1	REAL300007597971	0	45	-1.0	-53.46	391.76	2.97	-50.49
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)CCCS(C)(=O)=O)=C1	REAL300007597972	0	44	-1.0	-51.60	385.40	1.24	-50.36
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(OC)C(C)=C2C)=C1	REAL300007597973	0	49	-1.0	-57.54	395.15	6.55	-50.99
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1	REAL300007597974	0	44	-1.0	-50.73	379.65	5.51	-45.22
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)CC2=NOC=C2)=C1	REAL300007597975	0	38	-1.0	-60.32	333.00	2.96	-57.36
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)N(C)N=C2)=C1	REAL300007597976	0	42	-1.0	-60.45	359.69	4.19	-56.26
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)N(C)C2CCOCC2)=C1	REAL300007597977	0	48	-1.0	-51.81	380.63	3.02	-48.79
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)N2CC3CCC2C3)=C1	REAL300007597978	0	45	-1.0	-57.17	356.03	5.23	-51.94
CCN1N=C(C)C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)=C1C	REAL300007597979	0	48	-1.0	-47.65	396.77	4.96	-42.69
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C(C)C)N=C2)=C1	REAL300007597980	0	45	-1.0	-52.56	380.20	4.04	-48.52
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CN(CC(C)C)C=N2)=C1	REAL300007597981	0	48	-1.0	-50.90	404.67	6.36	-44.54
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C(C)C)C=N2)=C1	REAL300007597982	0	45	-1.0	-51.84	385.57	5.50	-46.34
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CNC(C(C)C)=N2)=C1	REAL300007597983	0	45	-1.0	-51.01	383.66	3.54	-47.47
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2C(C)(C)C)=C1	REAL300007597984	0	51	-1.0	-66.38	393.92	8.11	-58.27
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)CC2CCCOC2)=C1	REAL300007597985	0	46	-1.0	-43.93	371.72	3.83	-40.10
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(F)=C2C)=C1	REAL300007597986	0	42	-1.0	-45.13	345.06	6.13	-39.00
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1	REAL300007597987	0	42	-1.0	-54.31	374.94	6.22	-48.09
COCCC(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007597988	0	45	-1.0	-42.03	358.71	3.26	-38.77
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC(F)=CC=C2OC)=C1	REAL300007597989	0	43	-1.0	-47.19	366.58	5.32	-41.87
CCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007597990	0	44	-1.0	-43.74	356.44	5.03	-38.71
CCN(CC1CC1)S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007597991	0	47	-1.0	-45.87	395.94	5.92	-39.95
CCCN1C=NC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300007597992	0	45	-1.0	-60.93	383.30	6.77	-54.16
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)CCOCC2CC2)=C1	REAL300007597993	0	46	-1.0	-46.54	388.27	4.43	-42.11
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)CC(C)COC2CCCC2)=C1	REAL300007597994	0	55	-1.0	-43.41	437.69	6.54	-36.87
COCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007597995	0	45	-1.0	-43.16	371.15	3.47	-39.69
CCOCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007597996	0	48	-1.0	-43.25	393.00	4.45	-38.80
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300007597997	0	47	-1.0	-53.22	400.62	3.15	-50.07
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2C(C)C)=C1	REAL300007597998	0	48	-1.0	-59.24	383.86	7.80	-51.44
COC1=CC=CC(C(CC(=O)[O-])NS(=O)(=O)CCCN2CCOCC2)=C1	REAL300007597999	0	51	-1.0	-53.97	407.93	1.94	-52.03
CCOC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300007598000	0	46	-1.0	-56.05	394.09	5.57	-50.48
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300007599045	0	35	-1.0	-51.07	305.65	4.91	-46.16
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1	REAL300007599046	0	36	-1.0	-45.33	336.72	6.55	-38.78
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300007599047	0	42	-1.0	-52.73	358.62	5.19	-47.54
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300007599048	0	42	-1.0	-53.80	366.38	1.84	-51.96
CCN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007599049	0	49	-1.0	-46.41	360.53	6.49	-39.92
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300007599050	0	39	-1.0	-54.72	331.30	6.57	-48.15
CCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007599051	0	39	-1.0	-61.06	338.82	6.80	-54.26
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007599052	0	42	-1.0	-51.28	352.27	3.41	-47.87
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300007599053	0	45	-1.0	-51.61	392.84	6.15	-45.46
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300007599054	0	45	-1.0	-51.94	386.51	6.22	-45.72
CCN(CCC(=O)[O-])S(=O)(=O)CCOCCOCCOC	REAL300007599055	0	45	-1.0	-54.29	379.56	2.09	-52.20
CCN(CCC(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300007599056	0	47	-1.0	-50.66	374.71	6.27	-44.39
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007599057	0	46	-1.0	-51.79	393.57	6.41	-45.38
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300007599058	0	38	-1.0	-49.53	340.19	5.04	-44.49
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007599059	0	39	-1.0	-48.44	333.18	2.62	-45.82
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300007599060	0	35	-1.0	-47.26	325.32	4.78	-42.48
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007599061	0	35	-1.0	-50.00	315.41	5.17	-44.83
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300007599062	0	37	-1.0	-48.29	330.04	5.61	-42.68
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300007599063	0	37	-1.0	-46.26	330.45	6.74	-39.52
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300007599064	0	37	-1.0	-51.79	318.28	6.21	-45.58
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300007599065	0	37	-1.0	-46.59	328.96	6.38	-40.21
CCN(CCC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300007599066	0	43	-1.0	-49.04	347.58	1.89	-47.15
CCOC1=CC=CC(S(=O)(=O)N(CC)CCC(=O)[O-])=C1	REAL300007599067	0	38	-1.0	-52.55	325.89	5.09	-47.46
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CCOC)N=C1	REAL300007599068	0	38	-1.0	-51.36	334.93	2.48	-48.88
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007599069	0	38	-1.0	-49.95	338.96	5.43	-44.52
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CC)CCC(=O)[O-])=C1C	REAL300007599070	0	58	-1.0	-51.39	458.45	9.34	-42.05
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1	REAL300007599071	0	45	-1.0	-50.32	395.02	3.29	-47.03
CCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007599072	0	39	-1.0	-51.38	347.37	7.09	-44.29
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007599073	0	36	-1.0	-48.03	315.71	5.24	-42.79
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007599074	0	34	-1.0	-51.95	318.95	6.24	-45.71
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007599075	0	34	-1.0	-51.31	314.44	6.20	-45.11
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007599076	0	38	-1.0	-68.09	339.21	2.74	-65.35
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300007599077	0	34	-1.0	-46.80	317.27	6.14	-40.66
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300007599078	0	34	-1.0	-48.26	308.69	6.26	-42.00
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300007599079	0	38	-1.0	-49.74	320.53	4.96	-44.78
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300007599080	0	35	-1.0	-47.33	324.45	4.84	-42.49
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300007599081	0	39	-1.0	-49.86	344.73	4.70	-45.16
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007599082	0	34	-1.0	-50.47	319.09	3.93	-46.54
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007599083	0	34	-1.0	-51.44	314.24	3.72	-47.72
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007599084	0	42	-1.0	-49.94	349.42	6.00	-43.94
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007599085	0	34	-1.0	-56.56	313.12	4.06	-52.50
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC)CCC(=O)[O-]	REAL300007599086	0	42	-1.0	-58.29	354.52	3.59	-54.70
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(I)=C1	REAL300007599087	0	34	-1.0	-49.94	319.88	6.51	-43.43
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1	REAL300007599088	0	43	-1.0	-54.51	378.28	4.09	-50.42
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CCC(=O)[O-])=C1	REAL300007599089	0	48	-1.0	-52.52	411.28	4.59	-47.93
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300007599090	0	35	-1.0	-57.08	307.36	5.90	-51.18
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1	REAL300007599091	0	48	-1.0	-58.52	417.51	3.38	-55.14
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007599092	0	39	-1.0	-51.87	353.47	1.65	-50.22
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1	REAL300007599093	0	45	-1.0	-55.18	410.33	2.52	-52.66
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC	REAL300007599094	0	46	-1.0	-56.01	393.13	2.13	-53.88
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C(F)=C1	REAL300007599095	0	45	-1.0	-55.48	392.43	2.95	-52.53
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1	REAL300007599096	0	45	-1.0	-51.85	393.76	2.67	-49.18
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007599097	0	42	-1.0	-65.15	360.70	4.76	-60.39
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1F	REAL300007599098	0	45	-1.0	-50.73	396.43	3.32	-47.41
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007599099	0	46	-1.0	-52.24	375.99	6.06	-46.18
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300007599100	0	42	-1.0	-50.96	374.94	2.54	-48.42
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007599101	0	46	-1.0	-53.68	388.27	5.31	-48.37
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007599102	0	43	-1.0	-52.28	369.14	4.55	-47.73
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300007599103	0	40	-1.0	-54.39	356.69	3.28	-51.11
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300007599104	0	41	-1.0	-55.59	359.95	2.36	-53.23
CCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1Br	REAL300007599105	0	38	-1.0	-47.11	346.29	5.76	-41.35
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300007599106	0	45	-1.0	-52.74	382.70	7.94	-44.80
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007599107	0	35	-1.0	-49.54	325.73	5.63	-43.91
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007599108	0	37	-1.0	-48.40	355.08	3.00	-45.40
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300007599109	0	38	-1.0	-50.38	343.85	5.50	-44.88
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007599110	0	45	-1.0	-49.43	387.55	6.83	-42.60
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300007599111	0	38	-1.0	-50.77	338.72	6.03	-44.74
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300007599112	0	43	-1.0	-51.06	365.25	6.41	-44.65
CCN(CCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC	REAL300007599113	0	38	-1.0	-59.47	334.93	-0.48	-59.95
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300007599114	0	37	-1.0	-51.24	323.70	6.06	-45.18
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007599115	0	34	-1.0	-48.91	330.57	6.83	-42.08
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300007599116	0	37	-1.0	-51.47	335.83	7.57	-43.90
CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007599117	0	34	-1.0	-48.38	316.44	6.32	-42.06
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007599118	0	37	-1.0	-55.01	332.55	7.82	-47.19
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007599119	0	37	-1.0	-48.96	335.60	6.66	-42.30
CCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007599120	0	42	-1.0	-51.75	355.05	6.24	-45.51
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007599121	0	45	-1.0	-49.85	385.07	8.37	-41.48
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007599122	0	44	-1.0	-53.75	381.94	6.44	-47.31
CCN(CCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007599123	0	42	-1.0	-54.87	373.91	1.97	-52.90
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300007599124	0	40	-1.0	-47.00	339.43	7.68	-39.32
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300007599125	0	42	-1.0	-48.53	349.13	5.52	-43.01
CCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007599126	0	37	-1.0	-52.09	335.35	6.85	-45.24
CCN(CCC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007599127	0	36	-1.0	-53.70	306.67	1.73	-51.97
CCN(CCC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300007599128	0	44	-1.0	-48.68	358.64	5.37	-43.31
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300007599129	0	38	-1.0	-49.53	336.30	5.57	-43.96
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007599130	0	40	-1.0	-63.40	358.35	3.14	-60.26
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300007599131	0	35	-1.0	-47.00	329.74	6.33	-40.67
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CC)CCC(=O)[O-]	REAL300007599132	0	43	-1.0	-48.51	344.32	5.22	-43.29
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007599133	0	39	-1.0	-51.05	345.71	3.43	-47.62
CCC1=NOC2=NC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C12	REAL300007599134	0	38	-1.0	-52.06	335.83	2.54	-49.52
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007599135	0	42	-1.0	-47.15	371.13	4.71	-42.44
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007599136	0	36	-1.0	-47.69	318.93	4.00	-43.69
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007599137	0	37	-1.0	-48.97	341.67	7.75	-41.22
CCC1=CC(CC)=C(S(=O)(=O)N(CC)CCC(=O)[O-])C(CC)=C1	REAL300007599138	0	49	-1.0	-46.27	378.45	9.26	-37.01
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC	REAL300007599139	1	46	-1.0	-54.23	395.17	2.09	-52.14
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007599140	0	38	-1.0	-59.54	320.88	4.90	-54.64
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007599141	0	37	-1.0	-47.01	343.16	2.91	-44.10
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007599142	0	40	-1.0	-59.29	341.04	8.63	-50.66
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300007599143	0	38	-1.0	-46.97	317.16	4.68	-42.29
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007599144	0	40	-1.0	-51.24	333.77	6.21	-45.03
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007599146	0	39	-1.0	-49.26	344.04	6.11	-43.15
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300007599147	0	38	-1.0	-48.69	343.77	4.97	-43.72
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300007599148	0	37	-1.0	-49.08	324.38	6.35	-42.73
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007599150	0	31	-1.0	-43.13	307.59	5.08	-38.05
CCN(CCC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007599151	0	44	-1.0	-49.82	362.65	8.22	-41.60
CCN(CCC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007599152	0	42	-1.0	-48.95	355.78	5.65	-43.30
CCN(CCC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007599153	0	40	-1.0	-60.26	335.04	2.07	-58.19
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007599154	0	34	-1.0	-46.58	311.13	5.36	-41.22
CCN(CCC(=O)[O-])S(=O)(=O)CCC1=C(C)N=CS1	REAL300007599155	0	36	-1.0	-50.63	322.68	4.13	-46.50
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300007599156	0	43	-1.0	-49.93	354.38	6.44	-43.49
CCN(CCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300007599157	0	44	-1.0	-50.24	331.32	6.91	-43.33
CCN(CCC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007599158	0	42	-1.0	-57.22	347.15	2.02	-55.20
CCN(CCC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300007599159	0	40	-1.0	-48.38	327.56	6.09	-42.29
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1	REAL300007599160	0	46	-1.0	-53.97	397.92	8.14	-45.83
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1	REAL300007599161	0	50	-1.0	-48.99	416.05	5.61	-43.38
CCC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007599162	0	39	-1.0	-47.40	336.97	6.71	-40.69
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007599163	0	31	-1.0	-45.66	295.90	5.50	-40.16
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007599164	0	33	-1.0	-46.95	302.75	5.54	-41.41
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007599165	0	37	-1.0	-50.92	320.43	7.15	-43.77
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007599166	0	33	-1.0	-56.51	302.74	5.54	-50.97
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300007599167	0	36	-1.0	-55.97	307.44	5.86	-50.11
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007599168	0	33	-1.0	-60.55	293.39	6.56	-53.99
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC)CCC(=O)[O-]	REAL300007599169	0	38	-1.0	-50.03	342.25	6.38	-43.65
CCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1	REAL300007599170	0	38	-1.0	-47.27	325.95	5.11	-42.16
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300007599171	0	43	-1.0	-47.19	325.45	7.05	-40.14
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300007599172	0	46	-1.0	-51.35	353.33	7.50	-43.85
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007599173	0	34	-1.0	-50.77	313.60	5.89	-44.88
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007599174	0	34	-1.0	-51.13	302.21	6.26	-44.87
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300007599175	0	37	-1.0	-57.31	330.03	5.61	-51.70
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007599176	0	43	-1.0	-49.08	350.73	7.19	-41.89
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1	REAL300007599177	0	48	-1.0	-51.89	411.36	4.59	-47.30
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007599178	0	42	-1.0	-52.24	370.21	2.87	-49.37
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300007599179	0	35	-1.0	-47.46	324.42	4.83	-42.63
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007599180	0	37	-1.0	-44.95	352.36	6.88	-38.07
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300007599181	0	34	-1.0	-47.05	314.02	6.05	-41.00
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300007599182	0	45	-1.0	-49.50	384.63	8.38	-41.12
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007599183	0	35	-1.0	-46.59	320.59	4.67	-41.92
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300007599184	0	46	-1.0	-49.96	338.67	7.53	-42.43
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007599185	0	40	-1.0	-49.29	337.32	4.81	-44.48
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300007599186	0	47	-1.0	-51.58	375.40	7.16	-44.42
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300007599187	0	38	-1.0	-49.76	349.96	7.25	-42.51
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300007599188	0	36	-1.0	-47.52	318.75	6.06	-41.46
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300007599189	0	35	-1.0	-50.28	320.54	5.46	-44.82
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300007599190	0	49	-1.0	-47.08	371.42	8.51	-38.57
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007599191	0	34	-1.0	-46.73	313.27	5.87	-40.86
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007599192	0	41	-1.0	-49.33	337.24	7.36	-41.97
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300007599193	0	39	-1.0	-53.54	328.71	4.13	-49.41
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300007599194	0	39	-1.0	-49.77	333.25	4.07	-45.70
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007599195	0	39	-1.0	-49.91	324.93	7.15	-42.76
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300007599196	0	46	-1.0	-47.70	378.07	8.38	-39.32
CCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1OCC	REAL300007599197	0	45	-1.0	-51.07	376.96	5.92	-45.15
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007599198	0	36	-1.0	-53.45	328.85	-0.17	-53.62
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1	REAL300007599199	0	39	-1.0	-47.84	335.59	6.55	-41.29
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300007599200	0	39	-1.0	-46.65	327.31	6.54	-40.11
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300007599201	0	39	-1.0	-58.97	332.37	6.67	-52.30
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300007599202	0	37	-1.0	-57.04	322.82	5.86	-51.18
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300007599203	0	35	-1.0	-49.71	311.21	5.14	-44.57
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007599204	0	36	-1.0	-59.87	328.71	-0.17	-60.04
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007599205	0	43	-1.0	-49.88	374.57	2.44	-47.44
CCN(CCC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007599206	0	39	-1.0	-50.55	339.83	6.35	-44.20
CCN(CCC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007599207	0	40	-1.0	-48.69	329.09	6.04	-42.65
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300007599208	0	39	-1.0	-52.45	331.09	6.26	-46.19
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300007599209	0	39	-1.0	-56.77	335.57	7.76	-49.01
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007599210	0	42	-1.0	-57.95	370.85	2.83	-55.12
CCN(CCC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007599211	0	43	-1.0	-62.69	361.05	4.20	-58.49
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007599212	0	37	-1.0	-62.00	335.23	2.38	-59.62
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007599213	0	41	-1.0	-51.80	342.00	8.64	-43.16
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007599214	0	37	-1.0	-54.28	315.86	7.31	-46.97
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007599215	0	41	-1.0	-50.35	348.69	8.28	-42.07
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007599216	0	45	-1.0	-51.87	369.30	7.16	-44.71
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007599217	0	32	-1.0	-56.45	297.62	3.43	-53.02
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300007599218	0	35	-1.0	-50.43	315.98	5.36	-45.07
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1	REAL300007599219	0	46	-1.0	-49.06	364.95	7.66	-41.40
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300007599220	0	34	-1.0	-50.08	309.99	5.98	-44.10
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300007599221	0	41	-1.0	-47.48	343.87	5.73	-41.75
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007599222	0	34	-1.0	-51.94	314.39	6.14	-45.80
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007599223	0	36	-1.0	-52.88	333.47	7.56	-45.32
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007599224	0	36	-1.0	-54.34	310.99	6.04	-48.30
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007599225	0	42	-1.0	-50.81	380.02	8.26	-42.55
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300007599226	0	37	-1.0	-48.88	322.70	5.29	-43.59
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300007599227	0	35	-1.0	-47.71	310.23	4.24	-43.47
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007599228	0	42	-1.0	-48.64	379.92	8.23	-40.41
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300007599229	0	46	-1.0	-49.19	392.72	7.01	-42.18
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300007599230	0	58	-1.0	-47.18	424.25	10.52	-36.66
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300007599231	0	47	-1.0	-52.86	383.90	8.21	-44.65
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007599232	0	34	-1.0	-51.24	329.58	6.60	-44.64
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300007599233	0	41	-1.0	-53.22	344.17	6.67	-46.55
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1	REAL300007599234	0	47	-1.0	-54.39	394.08	2.55	-51.84
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300007599235	0	36	-1.0	-46.46	319.94	6.41	-40.05
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300007599236	0	36	-1.0	-48.90	313.53	6.23	-42.67
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC)CCC(=O)[O-]	REAL300007599237	0	39	-1.0	-50.68	335.95	7.30	-43.38
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300007599238	0	43	-1.0	-47.81	355.76	7.56	-40.25
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCOC)C=C1	REAL300007599239	0	41	-1.0	-48.32	351.18	5.38	-42.94
CCN(CCC(=O)[O-])S(=O)(=O)N(CCOC)CCOC	REAL300007599240	0	43	-1.0	-48.41	348.76	2.01	-46.40
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300007599241	0	34	-1.0	-50.95	295.94	5.71	-45.24
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300007599242	0	41	-1.0	-49.81	345.56	5.63	-44.18
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300007599243	0	47	-1.0	-46.98	386.51	7.21	-39.77
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007599244	0	45	-1.0	-48.29	369.16	7.09	-41.20
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300007599245	0	44	-1.0	-47.05	367.55	6.60	-40.45
CCCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1	REAL300007599246	0	41	-1.0	-47.01	347.45	5.91	-41.10
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300007599247	0	35	-1.0	-47.48	320.03	4.72	-42.76
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007599248	0	35	-1.0	-49.95	329.79	5.00	-44.95
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300007599249	0	38	-1.0	-50.05	324.09	4.91	-45.14
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300007599250	0	44	-1.0	-49.64	363.88	6.46	-43.18
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300007599251	0	38	-1.0	-48.63	321.16	5.05	-43.58
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300007599252	0	42	-1.0	-48.68	359.58	4.38	-44.30
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300007599253	0	34	-1.0	-46.39	313.00	6.36	-40.03
CCN(CCC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300007599254	0	39	-1.0	-50.80	314.45	7.14	-43.66
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300007599255	0	40	-1.0	-58.08	339.93	2.71	-55.37
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007599256	0	43	-1.0	-52.29	383.55	2.72	-49.57
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300007599257	0	39	-1.0	-52.47	351.22	1.04	-51.43
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC	REAL300007599258	0	39	-1.0	-52.39	335.81	2.92	-49.47
CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007599259	0	34	-1.0	-50.03	299.65	5.81	-44.22
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300007599260	0	35	-1.0	-47.99	310.25	4.24	-43.75
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007599261	0	41	-1.0	-48.58	348.72	8.28	-40.30
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007599262	0	34	-1.0	-49.53	331.11	6.65	-42.88
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300007599263	0	37	-1.0	-49.62	354.45	5.45	-44.17
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007599264	0	51	-1.0	-46.94	409.18	8.50	-38.44
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300007599265	0	39	-1.0	-54.86	328.41	6.34	-48.52
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300007599266	0	39	-1.0	-52.19	339.05	2.51	-49.68
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300007599267	0	41	-1.0	-46.19	321.90	5.33	-40.86
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007599268	0	42	-1.0	-50.95	358.74	8.99	-41.96
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300007599269	0	41	-1.0	-49.84	340.33	5.76	-44.08
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300007599270	0	39	-1.0	-47.91	316.18	5.89	-42.02
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007599271	0	36	-1.0	-53.68	311.07	5.55	-48.13
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007599272	0	44	-1.0	-51.03	374.33	8.71	-42.32
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300007599273	0	36	-1.0	-55.73	328.29	5.76	-49.97
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007599274	0	38	-1.0	-47.34	345.52	5.57	-41.77
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007599275	0	45	-1.0	-48.48	385.86	8.17	-40.31
CCC(=O)C1=CC=CC(S(=O)(=O)N(CC)CCC(=O)[O-])=C1	REAL300007599276	0	39	-1.0	-61.43	337.60	6.14	-55.29
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007599277	0	41	-1.0	-49.24	361.10	6.43	-42.81
CCN(CCC(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300007599278	0	53	-1.0	-49.95	409.02	7.66	-42.29
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007599279	0	39	-1.0	-56.93	348.17	1.59	-55.34
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007599280	0	46	-1.0	-50.34	396.45	4.00	-46.34
CCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C2=CC=CC=C12	REAL300007599281	0	44	-1.0	-52.79	366.02	7.59	-45.20
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC)CCC(=O)[O-]	REAL300007599282	0	41	-1.0	-50.85	342.37	6.42	-44.43
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007599283	0	36	-1.0	-65.09	322.80	5.04	-60.05
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007599284	0	38	-1.0	-52.46	335.68	5.97	-46.49
CCOCCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1	REAL300007599285	0	45	-1.0	-48.72	381.43	5.34	-43.38
CCCCCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1	REAL300007599286	0	47	-1.0	-46.92	390.45	7.47	-39.45
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007599287	0	41	-1.0	-50.87	330.24	7.59	-43.28
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007599288	0	37	-1.0	-53.77	322.32	6.72	-47.05
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007599289	0	35	-1.0	-47.56	330.98	6.34	-41.22
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007599290	0	39	-1.0	-56.03	337.55	6.16	-49.87
CCN(CCC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007599291	0	37	-1.0	-59.36	313.85	1.23	-58.13
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007599292	0	36	-1.0	-55.80	322.79	5.05	-50.75
CCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C(C)=C1	REAL300007599293	0	41	-1.0	-48.51	333.85	5.55	-42.96
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300007599294	0	39	-1.0	-59.74	351.14	1.04	-58.70
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007599295	0	35	-1.0	-49.52	309.01	5.10	-44.42
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C=C1	REAL300007599296	0	35	-1.0	-46.93	314.80	5.90	-41.03
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007599297	0	37	-1.0	-53.00	336.72	6.65	-46.35
CCN(CCC(=O)[O-])S(=O)(=O)N(CC)CC1=CC=CC=C1	REAL300007599298	0	42	-1.0	-49.10	342.07	6.53	-42.57
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007599299	0	37	-1.0	-51.95	314.03	4.62	-47.33
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007599300	0	36	-1.0	-51.10	299.50	4.80	-46.30
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007599301	0	43	-1.0	-52.19	364.20	6.73	-45.46
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300007599302	0	37	-1.0	-50.96	328.96	6.39	-44.57
CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007599303	0	37	-1.0	-54.03	347.55	5.67	-48.36
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007599304	0	40	-1.0	-46.83	339.30	6.48	-40.35
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300007599305	0	39	-1.0	-47.62	340.89	4.60	-43.02
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1OC	REAL300007599306	0	38	-1.0	-50.84	342.56	5.52	-45.32
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300007599307	0	38	-1.0	-50.20	329.59	4.59	-45.61
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007599308	0	42	-1.0	-51.24	350.49	6.31	-44.93
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007599309	0	34	-1.0	-51.72	311.23	6.09	-45.63
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007599310	0	43	-1.0	-65.46	371.11	3.37	-62.09
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007599311	0	38	-1.0	-49.99	343.65	5.42	-44.57
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(OC)C=C1OC	REAL300007599312	0	39	-1.0	-49.86	349.11	4.81	-45.05
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007599313	0	39	-1.0	-55.49	339.25	5.74	-49.75
CCN(CCC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007599314	0	34	-1.0	-51.31	324.57	6.53	-44.78
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300007599315	0	39	-1.0	-49.64	331.58	5.49	-44.15
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CC)CCC(=O)[O-]	REAL300007599316	0	43	-1.0	-45.49	328.67	7.78	-37.71
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300007599317	0	43	-1.0	-55.04	355.92	3.44	-51.60
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007599318	0	42	-1.0	-49.33	379.94	8.22	-41.11
CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007599319	0	37	-1.0	-49.55	342.49	5.72	-43.83
CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007599320	0	37	-1.0	-53.76	357.87	6.12	-47.64
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300007599321	0	40	-1.0	-51.81	350.89	3.94	-47.87
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007599322	0	34	-1.0	-51.53	318.87	3.76	-47.77
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007599323	0	34	-1.0	-51.18	300.60	3.54	-47.64
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007599324	0	39	-1.0	-49.77	328.21	5.50	-44.27
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300007599325	0	41	-1.0	-48.53	357.12	6.65	-41.88
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007599326	0	39	-1.0	-45.28	348.31	5.99	-39.29
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300007599327	0	36	-1.0	-47.05	318.73	6.05	-41.00
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300007599328	0	42	-1.0	-56.85	359.72	5.51	-51.34
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007599329	0	33	-1.0	-50.36	306.56	4.35	-46.01
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300007599330	0	39	-1.0	-49.75	326.10	5.29	-44.46
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300007599331	0	40	-1.0	-50.83	341.77	7.80	-43.03
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300007599332	0	39	-1.0	-50.46	327.05	5.28	-45.18
CCN(CCC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007599333	0	36	-1.0	-50.81	321.01	4.97	-45.84
CCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007599334	0	37	-1.0	-48.07	335.89	6.94	-41.13
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007599335	0	43	-1.0	-51.46	348.74	5.42	-46.04
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007599336	0	33	-1.0	-48.41	309.29	4.10	-44.31
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300007599337	0	39	-1.0	-53.36	326.56	5.39	-47.97
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300007599338	0	39	-1.0	-50.69	327.69	6.55	-44.14
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300007599339	0	39	-1.0	-53.67	324.39	7.64	-46.03
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300007599340	0	39	-1.0	-53.22	332.36	6.89	-46.33
CCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C(OC)C=C1	REAL300007599341	0	41	-1.0	-50.06	348.66	5.72	-44.34
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007599342	0	40	-1.0	-46.55	348.01	6.54	-40.01
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300007599343	0	39	-1.0	-51.87	333.50	3.48	-48.39
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300007599344	0	37	-1.0	-49.52	317.69	4.42	-45.10
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300007599345	0	35	-1.0	-47.54	320.06	4.73	-42.81
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007599346	0	37	-1.0	-59.40	322.76	6.22	-53.18
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300007599347	0	39	-1.0	-57.24	321.59	6.33	-50.91
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300007599348	0	36	-1.0	-51.61	318.19	2.54	-49.07
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CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300007599350	0	39	-1.0	-44.76	323.44	6.85	-37.91
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300007599351	0	41	-1.0	-52.06	332.25	6.42	-45.64
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007599352	0	32	-1.0	-46.92	296.78	2.81	-44.11
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300007599353	0	38	-1.0	-51.77	323.33	4.68	-47.09
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007599354	0	37	-1.0	-59.28	326.96	6.37	-52.91
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007599355	0	34	-1.0	-53.17	295.52	3.71	-49.46
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300007599356	0	37	-1.0	-47.87	319.00	6.08	-41.79
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007599357	0	38	-1.0	-57.49	330.51	4.63	-52.86
CCN(CCC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007599358	0	44	-1.0	-52.77	374.68	6.46	-46.31
CCN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007599359	0	35	-1.0	-58.76	315.47	5.05	-53.71
CCN(CCC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007599360	0	33	-1.0	-56.41	303.64	4.72	-51.69
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007599361	0	34	-1.0	-50.16	314.39	6.15	-44.01
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300007599362	0	34	-1.0	-47.03	309.99	5.97	-41.06
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007599363	0	37	-1.0	-50.37	322.63	5.85	-44.52
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300007599364	0	40	-1.0	-50.94	360.75	6.34	-44.60
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007599365	0	39	-1.0	-51.29	322.87	6.23	-45.06
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007599366	0	38	-1.0	-56.96	339.65	2.74	-54.22
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007599367	0	40	-1.0	-53.42	332.70	5.34	-48.08
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007599368	0	34	-1.0	-48.91	317.52	6.16	-42.75
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1	REAL300007599369	0	56	-1.0	-46.87	454.94	9.81	-37.06
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC)CCC(=O)[O-]	REAL300007599370	0	41	-1.0	-49.56	363.74	7.18	-42.38
CCC(C)OC1=CC=CC(S(=O)(=O)N(CC)CCC(=O)[O-])=C1	REAL300007599371	0	44	-1.0	-53.14	364.55	6.53	-46.61
CCN(CCC(=O)[O-])S(=O)(=O)CC(OC)C1CCCC1	REAL300007599372	0	44	-1.0	-49.24	351.77	5.25	-43.99
CCN(CCC(=O)[O-])S(=O)(=O)CC(OC)C1CCCCC1	REAL300007599373	0	47	-1.0	-49.75	365.59	5.92	-43.83
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007599374	0	45	-1.0	-48.59	392.00	8.22	-40.37
CCCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1C(C)C	REAL300007599375	0	50	-1.0	-49.60	405.98	7.92	-41.68
CCC1=NC(S(=O)(=O)N(CC)CCC(=O)[O-])=CN1CC1CC1	REAL300007599376	0	44	-1.0	-53.27	366.09	6.55	-46.72
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007599377	0	34	-1.0	-48.29	314.85	4.36	-43.93
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300007599378	0	39	-1.0	-46.20	330.72	6.88	-39.32
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007599379	0	38	-1.0	-48.14	316.21	4.58	-43.56
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007599380	0	44	-1.0	-48.76	372.34	7.11	-41.65
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007599381	0	34	-1.0	-46.40	312.96	3.39	-43.01
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007599382	0	42	-1.0	-47.21	375.15	8.97	-38.24
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007599383	0	41	-1.0	-53.55	329.17	7.81	-45.74
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1	REAL300007599384	0	51	-1.0	-50.65	427.32	9.64	-41.01
CCC1=CC(S(=O)(=O)N(CC)CCC(=O)[O-])=C(C)C=C1OC	REAL300007599385	0	44	-1.0	-49.62	353.23	6.09	-43.53
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007599386	0	37	-1.0	-45.57	345.82	6.75	-38.82
CCN(CCC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007599387	0	33	-1.0	-55.93	299.12	3.77	-52.16
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300007599388	0	40	-1.0	-54.19	321.36	7.80	-46.39
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300007599389	0	40	-1.0	-47.16	343.73	3.38	-43.78
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300007599390	0	35	-1.0	-51.15	302.98	5.08	-46.07
CCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1C(C)C	REAL300007599391	0	47	-1.0	-49.96	384.48	7.12	-42.84
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007599392	0	43	-1.0	-50.20	352.75	7.12	-43.08
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007599393	0	50	-1.0	-50.88	399.51	9.44	-41.44
CCN(CCC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007599394	0	41	-1.0	-47.01	328.30	4.76	-42.25
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007599395	0	43	-1.0	-50.88	348.73	5.34	-45.54
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007599396	0	41	-1.0	-48.84	339.40	5.10	-43.74
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007599397	0	34	-1.0	-49.57	296.11	3.50	-46.07
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300007599398	0	38	-1.0	-51.42	332.23	5.06	-46.36
C=CCCC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1	REAL300007599399	0	41	-1.0	-47.70	351.81	7.65	-40.05
CCCCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1C(C)C	REAL300007599400	0	53	-1.0	-48.12	427.48	8.70	-39.42
CCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007599401	0	35	-1.0	-47.48	325.39	6.67	-40.81
CCCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1C(C)(C)C	REAL300007599402	0	53	-1.0	-49.81	418.54	8.59	-41.22
CCCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1CC	REAL300007599403	0	47	-1.0	-48.35	389.06	7.38	-40.97
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300007599404	0	37	-1.0	-44.66	311.92	6.70	-37.96
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300007599405	0	37	-1.0	-47.23	334.74	6.83	-40.40
CCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007599406	0	35	-1.0	-49.43	322.90	6.57	-42.86
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300007599407	0	47	-1.0	-49.04	385.43	7.53	-41.51
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007599408	0	36	-1.0	-54.99	311.13	5.52	-49.47
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1	REAL300007599409	0	46	-1.0	-48.60	403.41	8.73	-39.87
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007599410	0	38	-1.0	-51.52	325.01	4.54	-46.98
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007599411	0	38	-1.0	-47.55	318.96	4.62	-42.93
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007599412	0	41	-1.0	-48.16	342.51	5.57	-42.59
CCN(CCC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007599413	0	42	-1.0	-52.43	349.50	3.04	-49.39
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007599414	0	37	-1.0	-49.78	341.93	5.76	-44.02
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300007599415	0	38	-1.0	-52.27	314.60	4.83	-47.44
CCCCCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1C(C)C	REAL300007599416	0	56	-1.0	-49.40	448.98	9.48	-39.92
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300007599417	0	47	-1.0	-50.91	378.94	7.02	-43.89
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300007599418	0	41	-1.0	-50.59	344.28	6.41	-44.18
CCOCCOC1=CC=C(S(=O)(=O)N(CC)CCC(=O)[O-])C=C1C(C)C	REAL300007599419	0	54	-1.0	-52.11	439.96	7.34	-44.77
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300007599420	0	39	-1.0	-55.99	325.18	5.44	-50.55
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007599421	0	39	-1.0	-47.94	343.78	4.52	-43.42
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007599422	0	37	-1.0	-51.94	324.84	5.42	-46.52
CCN(CCC(=O)[O-])S(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300007599423	0	36	-1.0	-57.18	312.39	4.28	-52.90
CCN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007599424	0	35	-1.0	-53.83	326.67	5.36	-48.47
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007599425	0	34	-1.0	-51.86	313.25	6.31	-45.55
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007599426	0	38	-1.0	-47.47	325.93	4.66	-42.81
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300007599427	0	40	-1.0	-44.34	320.67	6.87	-37.47
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300007599428	0	39	-1.0	-53.22	325.97	4.80	-48.42
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007599429	0	44	-1.0	-51.99	358.56	5.68	-46.31
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300007599430	0	43	-1.0	-48.38	346.54	5.23	-43.15
CCCCN1C=C(S(=O)(=O)N(CC)CCC(=O)[O-])C(C)=N1	REAL300007599431	0	43	-1.0	-50.41	366.77	5.68	-44.73
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007599432	0	38	-1.0	-49.55	325.56	4.64	-44.91
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007599433	0	35	-1.0	-51.23	313.85	4.46	-46.77
CCN(CCC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007599434	0	36	-1.0	-66.32	317.62	3.50	-62.82
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300007599435	0	37	-1.0	-46.68	322.06	6.53	-40.15
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007599436	0	37	-1.0	-46.58	338.46	5.89	-40.69
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007599437	0	41	-1.0	-51.76	342.18	5.20	-46.56
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300007599438	0	49	-1.0	-49.98	386.22	8.87	-41.11
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007599439	0	37	-1.0	-50.54	345.73	6.75	-43.79
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007599440	0	41	-1.0	-48.48	349.12	5.52	-42.96
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007599441	0	35	-1.0	-49.08	313.77	6.15	-42.93
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007599442	0	42	-1.0	-49.87	367.83	7.80	-42.07
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300007599443	0	40	-1.0	-57.58	338.00	6.14	-51.44
CCN(CCC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007599444	0	38	-1.0	-47.89	314.52	4.20	-43.69
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007599445	0	40	-1.0	-47.19	319.42	4.51	-42.68
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007599446	0	40	-1.0	-46.88	339.64	4.58	-42.30
CCN(CCC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007599447	0	38	-1.0	-50.48	326.22	4.06	-46.42
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300007599448	0	36	-1.0	-48.70	325.48	4.65	-44.05
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007599449	0	34	-1.0	-46.17	319.70	5.94	-40.23
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CC)CCC(=O)[O-])=C1	REAL300007599450	0	42	-1.0	-61.22	359.09	6.90	-54.32
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007599451	0	42	-1.0	-50.75	339.86	7.84	-42.91
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007599452	0	37	-1.0	-47.78	334.25	5.84	-41.94
CCN(CCC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007599453	0	38	-1.0	-52.28	326.95	3.26	-49.02
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1	REAL300007599454	0	41	-1.0	-47.15	370.81	5.64	-41.51
CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007599455	0	31	-1.0	-52.90	294.84	5.02	-47.88
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007599456	0	41	-1.0	-48.76	342.72	5.56	-43.20
CCC(C)N1N=CC=C1S(=O)(=O)N(CC)CCC(=O)[O-]	REAL300007599457	0	40	-1.0	-46.50	333.56	4.75	-41.75
CCN(CCC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300007599458	0	45	-1.0	-50.35	342.04	5.79	-44.56
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007599459	0	45	-1.0	-48.85	368.42	3.93	-44.92
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007599460	0	37	-1.0	-52.49	327.74	6.39	-46.10
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007599461	0	35	-1.0	-50.74	313.78	4.45	-46.29
CCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007599462	0	46	-1.0	-47.11	368.93	7.47	-39.64
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300007599463	0	42	-1.0	-53.38	338.43	6.95	-46.43
CCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007599464	0	39	-1.0	-46.57	328.95	4.92	-41.65
CCOCC1=CC=CC(S(=O)(=O)N(CC)CCC(=O)[O-])=C1	REAL300007599465	0	41	-1.0	-50.38	351.45	5.56	-44.82
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007599466	0	34	-1.0	-49.94	334.20	6.89	-43.05
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007599467	0	41	-1.0	-49.29	350.37	6.08	-43.21
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007599468	0	44	-1.0	-48.59	358.37	5.70	-42.89
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007599469	0	42	-1.0	-48.88	363.20	7.71	-41.17
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300007599470	0	37	-1.0	-48.07	329.67	6.49	-41.58
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007599471	0	34	-1.0	-49.94	334.20	6.89	-43.05
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300007599472	0	40	-1.0	-54.52	333.59	7.84	-46.68
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007599473	0	41	-1.0	-52.41	351.46	6.02	-46.39
CCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007599474	0	35	-1.0	-46.43	315.07	6.21	-40.22
CCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007599475	0	35	-1.0	-47.43	329.95	6.76	-40.67
CCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007599476	0	35	-1.0	-46.16	329.95	6.77	-39.39
CCN(CCC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007599477	0	36	-1.0	-56.58	317.09	-1.13	-57.71
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007599478	0	33	-1.0	-53.68	305.43	4.26	-49.42
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300007599479	0	40	-1.0	-55.71	347.17	3.95	-51.76
CCN(CCC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007599480	0	48	-1.0	-48.23	350.90	7.79	-40.44
CCN(CCC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007599481	0	39	-1.0	-49.24	312.90	5.36	-43.88
CCN(CCC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300007599482	0	39	-1.0	-60.96	341.56	1.58	-59.38
CCN(CCC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007599483	0	44	-1.0	-48.32	348.16	5.27	-43.05
CCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007599484	0	35	-1.0	-50.79	321.88	3.96	-46.83
CCN(CCC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007599485	0	41	-1.0	-52.34	353.01	7.62	-44.72
CCN(CCC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007599486	0	40	-1.0	-50.32	326.35	2.37	-47.95
CCN(CCC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007599487	0	44	-1.0	-49.55	341.46	6.91	-42.64
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007599488	0	35	-1.0	-50.33	318.84	6.21	-44.12
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007599489	0	53	-1.0	-50.36	404.12	9.04	-41.32
CCN(CCC(=O)[O-])S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300007599490	0	42	-1.0	-48.39	352.36	5.96	-42.43
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300007599491	0	36	-1.0	-52.71	323.83	2.86	-49.85
CCN(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007599492	0	43	-1.0	-48.37	332.52	5.28	-43.09
CCN(CCC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007599493	0	42	-1.0	-51.00	351.54	6.65	-44.35
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007599494	0	35	-1.0	-49.41	319.78	5.88	-43.53
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300007599495	0	35	-1.0	-50.38	311.23	4.41	-45.97
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007599496	0	35	-1.0	-52.94	320.01	4.51	-48.43
CCN(CCC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007599497	0	37	-1.0	-50.38	315.57	4.72	-45.66
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007599498	0	38	-1.0	-54.18	328.24	6.65	-47.53
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007599499	0	40	-1.0	-46.67	353.38	5.35	-41.32
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300007599500	0	44	-1.0	-52.75	362.16	7.16	-45.59
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007599501	0	42	-1.0	-47.49	364.94	7.78	-39.71
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007599502	0	37	-1.0	-58.13	312.34	6.64	-51.49
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007599503	0	32	-1.0	-53.01	314.33	3.91	-49.10
C=C(C)COC1=CC=CC(S(=O)(=O)N(CC)CCC(=O)[O-])=C1	REAL300007599504	0	42	-1.0	-53.74	358.20	6.49	-47.25
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300007599505	0	41	-1.0	-49.31	347.09	5.50	-43.81
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300007599506	0	35	-1.0	-47.70	305.37	3.94	-43.76
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007599507	0	37	-1.0	-49.15	337.11	7.64	-41.51
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007599508	0	41	-1.0	-48.22	365.44	8.80	-39.42
CCN(CCC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007599509	0	30	-1.0	-43.32	302.15	2.89	-40.43
CCC1=CC(S(=O)(=O)N(CC)CCC(=O)[O-])=CC=C1Br	REAL300007599510	0	37	-1.0	-47.10	333.56	6.74	-40.36
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300007599511	0	44	-1.0	-48.01	355.09	5.88	-42.13
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300007599512	0	45	-1.0	-51.73	375.82	5.34	-46.39
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007599513	0	37	-1.0	-51.31	333.27	7.84	-43.47
CCN(CCC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007599514	0	39	-1.0	-47.31	319.60	2.38	-44.93
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007599515	0	37	-1.0	-48.93	339.35	4.70	-44.23
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007599516	0	46	-1.0	-49.72	376.49	5.26	-44.46
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300007599517	0	34	-1.0	-48.16	313.80	2.71	-45.45
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300007599518	0	37	-1.0	-48.59	321.87	2.24	-46.35
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300007599519	0	40	-1.0	-52.29	342.52	4.97	-47.32
CCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300007599520	0	40	-1.0	-49.04	330.70	4.44	-44.60
CCN(CCC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007599521	0	41	-1.0	-50.89	334.43	2.57	-48.32
CCN(CCC(=O)[O-])S(=O)(=O)CC1=NOC(COC)=C1	REAL300007599522	0	37	-1.0	-54.87	328.24	2.80	-52.07
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007599523	0	36	-1.0	-50.99	328.57	6.92	-44.07
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007599524	0	42	-1.0	-48.73	349.93	5.31	-43.42
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007599525	0	38	-1.0	-47.25	321.65	5.07	-42.18
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007599526	0	38	-1.0	-48.14	329.39	6.14	-42.00
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007599527	0	33	-1.0	-49.68	305.72	3.85	-45.83
CCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300007599528	0	40	-1.0	-51.79	341.87	4.72	-47.07
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300007599529	0	45	-1.0	-49.52	384.10	8.44	-41.08
CCN(CCC(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007599530	0	36	-1.0	-57.72	303.75	5.05	-52.67
CCN(CCC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300007599531	0	34	-1.0	-47.83	303.87	4.44	-43.39
CCN(CCC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007599532	0	39	-1.0	-58.01	330.89	0.63	-57.38
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300007599533	0	38	-1.0	-54.57	327.33	5.45	-49.12
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300007599534	0	37	-1.0	-47.44	336.19	3.20	-44.24
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007599535	0	36	-1.0	-51.61	311.56	5.42	-46.19
CCOC1=CC=CN=C1S(=O)(=O)N(CC)CCC(=O)[O-]	REAL300007599536	0	37	-1.0	-57.77	322.61	4.08	-53.69
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300007599537	0	39	-1.0	-54.81	328.75	6.57	-48.24
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007599538	0	33	-1.0	-57.18	302.18	3.79	-53.39
CCN(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007599539	0	38	-1.0	-54.08	344.34	5.74	-48.34
CCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300007599540	0	44	-1.0	-50.78	359.31	7.01	-43.77
CCCC(C)(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300007599541	0	39	-1.0	-54.69	312.10	4.10	-50.59
CCCC(C)(NS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300007599542	0	46	-1.0	-45.80	349.59	6.30	-39.50
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007599543	0	31	-1.0	-42.65	281.13	3.47	-39.18
CCCC(C)(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300007599544	0	41	-1.0	-46.16	327.67	4.35	-41.81
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007599545	0	37	-1.0	-40.56	315.43	5.32	-35.24
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007599546	0	38	-1.0	-41.46	324.28	4.30	-37.16
CCCC(C)(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007599547	0	40	-1.0	-52.28	331.60	1.23	-51.05
CCCC(C)(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007599548	0	38	-1.0	-50.34	318.64	4.02	-46.32
CCCC(C)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007599549	0	45	-1.0	-46.10	353.57	4.03	-42.07
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007599550	0	37	-1.0	-39.08	309.63	5.21	-33.87
CCCC(C)(NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300007599551	0	40	-1.0	-46.38	308.12	2.60	-43.78
CCCC(C)(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007599552	0	50	-1.0	-45.74	372.87	7.50	-38.24
CCCC(C)(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007599553	0	40	-1.0	-47.63	315.66	2.84	-44.79
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007599554	0	34	-1.0	-40.86	296.63	4.73	-36.13
CCCC(C)(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007599555	0	34	-1.0	-45.52	292.14	4.32	-41.20
CCCC(C)(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007599556	0	39	-1.0	-43.81	307.81	6.03	-37.78
CCCC(C)(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007599557	0	40	-1.0	-39.56	335.45	5.95	-33.61
CCCC(C)(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007599558	0	44	-1.0	-43.02	356.75	0.50	-42.52
CCCC(C)(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007599559	0	45	-1.0	-47.28	353.51	5.56	-41.72
CCCC(C)(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300007599560	0	37	-1.0	-44.61	298.65	4.40	-40.21
CCCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007599561	0	40	-1.0	-45.29	319.07	4.23	-41.06
CCCC(C)(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300007599562	0	41	-1.0	-46.75	325.97	3.45	-43.30
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC)N=C1)C(=O)[O-]	REAL300007599563	0	40	-1.0	-44.18	319.87	1.29	-42.89
CCCC(C)(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007599564	0	43	-1.0	-58.45	355.98	1.93	-56.52
CCCC(C)(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007599565	0	39	-1.0	-45.90	322.41	-0.04	-45.94
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007599566	0	44	-1.0	-44.32	338.03	4.70	-39.62
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007599567	0	39	-1.0	-43.54	335.57	4.57	-38.97
CCCC(C)(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007599568	0	37	-1.0	-37.80	317.26	5.18	-32.62
CCCC(C)(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007599569	0	39	-1.0	-48.09	311.81	4.06	-44.03
CCCC(C)(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007599570	0	43	-1.0	-51.78	354.44	5.51	-46.27
CCCC(C)(NS(=O)(=O)C1=C(C)N(CC)N=C1C)C(=O)[O-]	REAL300007599571	0	43	-1.0	-47.21	333.91	3.53	-43.68
CCCC(C)(NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300007599572	0	40	-1.0	-47.12	316.60	2.76	-44.36
CCCC(C)(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007599573	0	43	-1.0	-48.70	338.57	5.54	-43.16
CCCC(C)(NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300007599574	0	40	-1.0	-58.58	320.52	5.08	-53.50
CCCC(C)(NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300007599575	0	40	-1.0	-57.50	318.84	3.13	-54.37
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007599576	0	46	-1.0	-58.06	327.96	6.86	-51.20
CCCC(C)(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007599577	0	42	-1.0	-49.13	337.36	3.20	-45.93
CCCC(C)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007599578	0	42	-1.0	-43.27	350.59	3.73	-39.54
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007599579	0	37	-1.0	-44.95	310.35	4.89	-40.06
CCCC(C)(NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300007599580	0	37	-1.0	-41.66	297.31	4.80	-36.86
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007599581	0	40	-1.0	-42.68	330.00	6.69	-35.99
CCCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007599582	0	39	-1.0	-34.84	329.08	5.98	-28.86
CCCC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007599583	0	38	-1.0	-45.83	316.31	3.34	-42.49
CCCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007599584	0	41	-1.0	-43.65	342.08	4.89	-38.76
CCCC(C)(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007599585	0	49	-1.0	-44.98	374.09	5.05	-39.93
CCCC(C)(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007599586	0	37	-1.0	-45.86	303.07	4.59	-41.27
CCCC(C)(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300007599587	0	45	-1.0	-49.87	361.34	3.41	-46.46
CCCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007599590	0	38	-1.0	-44.88	312.66	3.74	-41.14
CCCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300007599591	0	45	-1.0	-63.04	364.66	4.39	-58.65
CCCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300007599592	0	45	-1.0	-49.85	363.32	0.64	-49.21
CCCC(C)(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007599593	0	42	-1.0	-51.19	338.77	4.87	-46.32
CCCC(C)(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007599594	0	42	-1.0	-50.32	339.05	5.85	-44.47
CCCC(C)(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007599595	0	45	-1.0	-46.02	349.26	2.24	-43.78
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300007599596	0	48	-1.0	-44.98	400.02	4.99	-39.99
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300007599597	0	48	-1.0	-61.18	391.92	5.50	-55.68
CCCN1C=NC(S(=O)(=O)NC(C)(CCC)C(=O)[O-])=C1	REAL300007599598	0	40	-1.0	-48.69	321.34	5.05	-43.64
CCCC(C)(NS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300007599599	0	48	-1.0	-46.65	381.94	1.23	-45.42
CCCC(C)(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007599600	0	50	-1.0	-38.36	374.98	5.27	-33.09
CCCC(C)(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007599601	0	41	-1.0	-44.42	339.05	3.97	-40.45
CCCC(C)(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007599602	0	42	-1.0	-45.93	329.99	1.46	-44.47
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300007599603	0	38	-1.0	-44.57	321.67	3.59	-40.98
CCCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007599604	0	38	-1.0	-44.21	322.40	4.01	-40.20
CCCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300007599605	0	40	-1.0	-44.22	326.37	4.44	-39.78
CCCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300007599606	0	40	-1.0	-52.44	329.16	6.05	-46.39
CCCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300007599607	0	40	-1.0	-57.92	329.11	6.06	-51.86
CCCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007599608	0	40	-1.0	-43.15	325.28	5.21	-37.94
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300007599609	0	43	-1.0	-58.24	328.33	6.34	-51.90
CCCC(C)(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007599610	0	46	-1.0	-38.56	346.06	0.84	-37.72
CCCC(C)(NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300007599611	0	41	-1.0	-54.94	324.10	4.46	-50.48
CCCC(C)(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300007599612	0	41	-1.0	-46.87	331.67	1.28	-45.59
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007599613	0	41	-1.0	-50.54	334.68	4.21	-46.33
CCCC(C)(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007599614	0	42	-1.0	-39.26	345.85	6.03	-33.23
CCCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007599615	0	39	-1.0	-46.77	311.98	3.93	-42.84
CCCC(C)(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007599616	0	37	-1.0	-40.37	318.49	5.25	-35.12
CCCC(C)(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007599617	0	37	-1.0	-42.39	312.93	5.14	-37.25
CCCC(C)(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007599618	0	41	-1.0	-61.46	335.50	1.59	-59.87
CCCC(C)(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300007599619	0	37	-1.0	-44.37	313.54	4.95	-39.42
CCCC(C)(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007599620	0	37	-1.0	-40.69	310.21	5.29	-35.40
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300007599621	0	41	-1.0	-42.27	320.32	3.85	-38.42
CCCC(C)(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300007599622	0	38	-1.0	-43.90	320.76	3.66	-40.24
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300007599623	0	42	-1.0	-44.46	349.83	3.66	-40.80
CCCC(C)(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007599624	0	37	-1.0	-50.23	315.80	2.73	-47.50
CCCC(C)(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007599625	0	37	-1.0	-47.63	310.99	2.52	-45.11
CCCC(C)(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007599626	0	45	-1.0	-45.81	346.04	4.90	-40.91
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007599627	0	37	-1.0	-43.69	319.79	3.06	-40.63
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC)C(=O)[O-]	REAL300007599628	0	45	-1.0	-58.66	332.20	1.94	-56.72
CCCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300007599629	0	46	-1.0	-50.69	374.62	2.94	-47.75
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007599630	0	38	-1.0	-43.96	314.64	5.02	-38.94
CCCC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007599631	0	42	-1.0	-48.56	349.90	0.44	-48.12
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1	REAL300007599632	0	48	-1.0	-48.38	390.03	1.51	-46.87
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007599633	0	45	-1.0	-68.16	354.66	4.18	-63.98
CCCC(C)(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300007599634	0	45	-1.0	-47.40	371.37	1.34	-46.06
CCCC(C)(NS(=O)(=O)CC1=CC=C(CC)C=C1)C(=O)[O-]	REAL300007599635	0	43	-1.0	-41.34	338.84	6.00	-35.34
CCCC(C)(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007599636	0	37	-1.0	-40.29	308.91	4.51	-35.78
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007599637	0	49	-1.0	-47.13	384.60	4.14	-42.99
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007599638	0	46	-1.0	-56.27	365.41	4.24	-52.03
CCCC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300007599639	0	43	-1.0	-54.31	354.12	2.20	-52.11
CCCC(C)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300007599640	0	44	-1.0	-46.89	366.96	1.20	-45.69
CCCC(C)(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007599641	0	43	-1.0	-42.41	334.55	5.77	-36.64
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300007599642	0	41	-1.0	-45.72	342.60	4.59	-41.13
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007599643	0	48	-1.0	-47.21	379.35	6.75	-40.46
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007599644	0	38	-1.0	-43.49	332.73	4.46	-39.03
CCCC(C)(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300007599645	0	41	-1.0	-43.45	339.57	4.33	-39.12
CCCC(C)(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007599646	0	48	-1.0	-45.50	383.83	5.62	-39.88
CCCC(C)(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300007599647	0	41	-1.0	-44.48	347.42	5.01	-39.47
CCCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007599648	0	46	-1.0	-47.66	361.51	5.21	-42.45
CCCC(C)(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300007599649	0	41	-1.0	-45.26	337.31	-1.33	-46.59
CCCC(C)(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007599650	0	40	-1.0	-43.36	329.42	5.30	-38.06
CCCC(C)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007599651	0	37	-1.0	-44.21	327.69	5.79	-38.42
CCCC(C)(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007599652	0	40	-1.0	-40.66	337.82	6.53	-34.13
CCCC(C)(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007599653	0	37	-1.0	-41.23	332.41	5.80	-35.43
CCCC(C)(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007599654	0	40	-1.0	-44.87	336.25	6.78	-38.09
CCCC(C)(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007599655	0	40	-1.0	-47.84	331.93	5.51	-42.33
CCCC(C)(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007599656	0	45	-1.0	-42.70	354.58	5.25	-37.45
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007599657	0	48	-1.0	-43.06	392.66	7.28	-35.78
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007599658	0	47	-1.0	-51.83	378.31	5.29	-46.54
CCCC(C)(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007599659	0	45	-1.0	-43.87	373.44	0.99	-42.88
CCCC(C)(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300007599660	0	43	-1.0	-58.02	343.51	7.13	-50.89
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300007599661	0	45	-1.0	-46.26	345.81	4.39	-41.87
CCCC(C)(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007599662	0	40	-1.0	-41.75	334.88	5.87	-35.88
CCCC(C)(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007599663	0	39	-1.0	-49.30	317.27	0.89	-48.41
CCCC(C)(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007599664	0	47	-1.0	-42.12	358.17	4.38	-37.74
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300007599665	0	41	-1.0	-57.81	335.57	4.90	-52.91
CCCC(C)(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007599666	0	43	-1.0	-49.26	357.88	2.15	-47.11
CCCC(C)(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300007599667	0	38	-1.0	-45.57	326.05	5.18	-40.39
CCCC(C)(NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300007599668	0	46	-1.0	-52.27	349.51	4.54	-47.73
CCCC(C)(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007599669	0	42	-1.0	-43.52	342.07	2.20	-41.32
CCCC(C)(NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300007599670	0	41	-1.0	-43.97	332.17	1.44	-42.53
CCCC(C)(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007599671	0	45	-1.0	-43.53	367.45	3.56	-39.97
CCCC(C)(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007599672	0	39	-1.0	-46.42	315.16	2.80	-43.62
CCCC(C)(NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300007599673	0	52	-1.0	-53.58	373.32	8.88	-44.70
CCCC(C)(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007599674	0	41	-1.0	-59.68	320.85	4.71	-54.97
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007599675	0	40	-1.0	-43.96	339.44	1.76	-42.20
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007599676	0	43	-1.0	-67.94	341.02	8.03	-59.91
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300007599677	0	41	-1.0	-42.03	327.46	4.05	-37.98
CCCC(C)(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007599678	0	46	-1.0	-39.93	323.26	5.44	-34.49
CCCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007599679	0	43	-1.0	-43.57	332.40	5.00	-38.57
CCCC(C)(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007599681	0	42	-1.0	-51.79	341.98	5.43	-46.36
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300007599682	0	41	-1.0	-44.84	342.67	3.90	-40.94
CCCC(C)(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300007599683	0	40	-1.0	-44.17	322.87	5.28	-38.89
CCCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007599685	0	34	-1.0	-42.08	304.64	4.04	-38.04
CCCC(C)(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007599686	0	47	-1.0	-40.21	361.12	7.15	-33.06
CCCC(C)(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007599687	0	45	-1.0	-43.28	355.34	4.68	-38.60
CCCC(C)(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007599688	0	43	-1.0	-46.37	335.49	1.07	-45.30
CCCC(C)(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007599689	0	37	-1.0	-42.59	310.40	4.49	-38.10
CCCC(C)(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007599690	0	39	-1.0	-41.06	322.21	3.14	-37.92
CCCC(C)(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007599691	0	44	-1.0	-39.71	316.95	5.31	-34.40
CCCC(C)(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300007599692	0	46	-1.0	-45.42	357.49	5.42	-40.00
CCCC(C)(NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007599693	0	47	-1.0	-40.56	330.84	5.95	-34.61
CCCC(C)(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007599694	0	45	-1.0	-53.00	346.69	1.04	-51.96
CCCC(C)(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007599695	0	43	-1.0	-42.45	321.84	5.08	-37.37
CCCC(C)(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300007599696	0	41	-1.0	-46.89	323.91	5.86	-41.03
CCCC(C)(NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007599697	0	42	-1.0	-46.64	333.46	5.52	-41.12
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007599698	0	34	-1.0	-43.33	288.68	4.30	-39.03
CCCC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007599699	0	34	-1.0	-43.12	293.27	4.40	-38.72
CCCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007599700	0	36	-1.0	-42.58	299.12	4.39	-38.19
CCCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007599701	0	40	-1.0	-47.67	316.69	5.95	-41.72
CCCC(C)(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007599702	0	36	-1.0	-48.43	300.19	4.45	-43.98
CCCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300007599703	0	39	-1.0	-42.90	322.38	5.38	-37.52
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007599704	0	38	-1.0	-46.12	300.44	3.02	-43.10
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007599705	0	36	-1.0	-59.86	291.88	5.70	-54.16
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300007599706	0	41	-1.0	-43.78	349.40	5.23	-38.55
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007599707	0	41	-1.0	-45.74	322.25	3.95	-41.79
CCCC(C)(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300007599708	0	46	-1.0	-42.97	336.62	6.52	-36.45
CCCC(C)(NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300007599709	0	43	-1.0	-40.69	319.79	6.05	-34.64
CCCC(C)(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300007599710	0	49	-1.0	-43.40	370.32	7.03	-36.37
CCCC(C)(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007599711	0	37	-1.0	-46.01	309.94	4.73	-41.28
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007599712	0	37	-1.0	-40.79	298.67	5.29	-35.50
CCCC(C)(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007599713	0	34	-1.0	-45.58	287.58	4.21	-41.37
CCCC(C)(NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300007599714	0	39	-1.0	-48.57	313.71	4.21	-44.36
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007599715	0	40	-1.0	-48.17	326.33	4.44	-43.73
CCCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007599716	0	46	-1.0	-45.72	347.17	6.05	-39.67
CCCC(C)(NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300007599717	0	43	-1.0	-45.88	331.19	5.65	-40.23
CCCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007599718	0	45	-1.0	-48.42	366.46	1.72	-46.70
CCCC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1	REAL300007599719	0	43	-1.0	-45.99	335.35	5.94	-40.05
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1OC)C(=O)[O-]	REAL300007599720	0	38	-1.0	-45.28	307.94	3.84	-41.44
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300007599721	0	38	-1.0	-46.17	320.75	3.66	-42.51
CCCC(C)(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300007599722	0	37	-1.0	-43.45	310.40	4.91	-38.54
CCCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300007599723	0	48	-1.0	-45.34	382.64	7.27	-38.07
CCCC(C)(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007599724	0	38	-1.0	-42.95	316.95	3.52	-39.43
CCCC(C)(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300007599725	0	49	-1.0	-44.33	349.74	6.95	-37.38
CCCC(C)(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007599726	0	43	-1.0	-46.22	334.78	3.72	-42.50
CCCC(C)(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300007599727	0	50	-1.0	-46.88	382.45	6.05	-40.83
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007599728	0	39	-1.0	-46.91	315.24	4.89	-42.02
CCCC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300007599729	0	38	-1.0	-43.71	327.55	4.30	-39.41
CCCC(C)(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300007599730	0	52	-1.0	-54.22	378.56	8.06	-46.16
CCCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007599731	0	37	-1.0	-51.16	311.49	5.24	-45.92
CCCC(C)(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007599732	0	44	-1.0	-46.41	333.64	6.20	-40.21
CCCC(C)(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300007599733	0	42	-1.0	-48.74	335.73	2.96	-45.78
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300007599734	0	42	-1.0	-47.38	329.57	2.90	-44.48
CCCC(C)(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300007599735	0	41	-1.0	-46.64	316.46	5.62	-41.02
CCCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007599736	0	42	-1.0	-44.64	327.98	6.13	-38.51
CCCC(C)(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007599737	0	39	-1.0	-46.52	306.75	3.52	-43.00
CCCC(C)(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300007599738	0	49	-1.0	-45.91	374.41	7.23	-38.68
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300007599739	0	48	-1.0	-46.65	374.40	4.83	-41.82
CCCC(C)(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007599740	0	39	-1.0	-49.90	325.19	-1.32	-51.22
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007599741	0	42	-1.0	-47.19	335.48	5.56	-41.63
CCCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300007599742	0	42	-1.0	-42.13	334.55	5.72	-36.41
CCCC(C)(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300007599743	0	42	-1.0	-50.38	340.79	5.20	-45.18
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007599744	0	40	-1.0	-55.72	321.32	5.00	-50.72
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300007599745	0	38	-1.0	-40.73	321.09	4.32	-36.41
CCCC(C)(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007599746	0	39	-1.0	-52.86	325.08	-1.35	-54.21
CCCC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007599747	0	46	-1.0	-52.63	379.85	1.52	-51.11
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300007599748	0	42	-1.0	-46.64	334.55	5.17	-41.47
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007599749	0	42	-1.0	-58.66	330.90	6.96	-51.70
CCCC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007599750	0	45	-1.0	-51.82	366.70	1.82	-50.00
CCCC(C)(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007599751	0	46	-1.0	-50.69	358.94	3.09	-47.60
CCCC(C)(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007599752	0	40	-1.0	-59.76	333.35	1.75	-58.01
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007599753	0	44	-1.0	-62.14	344.65	7.97	-54.17
CCCC(C)(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007599754	0	40	-1.0	-46.16	319.55	6.27	-39.89
CCCC(C)(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007599755	0	44	-1.0	-46.72	345.09	7.14	-39.58
CCCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300007599756	0	37	-1.0	-41.73	300.53	4.77	-36.96
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007599757	0	48	-1.0	-45.85	373.03	6.12	-39.73
CCCC(C)(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007599758	0	35	-1.0	-45.32	304.37	2.19	-43.13
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007599759	0	38	-1.0	-43.83	322.99	4.20	-39.63
CCCC(C)(NS(=O)(=O)C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300007599760	0	38	-1.0	-55.16	302.15	3.53	-51.63
CCCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300007599761	0	49	-1.0	-45.63	361.40	6.51	-39.12
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300007599762	0	37	-1.0	-44.90	306.31	4.81	-40.09
CCCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300007599763	0	44	-1.0	-45.87	341.05	4.58	-41.29
CCCC(C)(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007599764	0	37	-1.0	-40.35	313.92	5.14	-35.21
CCCC(C)(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007599765	0	35	-1.0	-42.55	293.04	2.37	-40.18
CCCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007599766	0	39	-1.0	-51.49	330.61	6.70	-44.79
CCCC(C)(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007599767	0	39	-1.0	-50.91	319.97	4.69	-46.22
CCCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007599768	0	45	-1.0	-47.94	376.30	7.08	-40.86
CCCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300007599769	0	40	-1.0	-38.91	332.54	4.46	-34.45
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300007599770	0	38	-1.0	-46.59	306.56	3.07	-43.52
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300007599771	0	37	-1.0	-45.06	297.57	4.40	-40.66
CCCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007599772	0	45	-1.0	-45.05	376.85	7.10	-37.95
CCCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300007599773	0	49	-1.0	-45.27	393.06	6.03	-39.24
CCCC(C)(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300007599774	0	61	-1.0	-58.34	427.14	9.69	-48.65
CCCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300007599775	0	50	-1.0	-46.67	385.20	6.98	-39.69
CCCC(C)(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007599776	0	37	-1.0	-37.49	329.11	5.60	-31.89
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300007599777	0	44	-1.0	-46.65	343.94	5.61	-41.04
CCCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007599778	0	39	-1.0	-38.01	321.12	5.36	-32.65
CCCC(C)(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007599779	0	39	-1.0	-42.08	316.08	5.32	-36.76
CCCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300007599780	0	42	-1.0	-62.06	333.84	6.71	-55.35
CCCC(C)(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300007599781	0	46	-1.0	-46.02	352.05	6.41	-39.61
CCCC(C)(NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300007599782	0	44	-1.0	-46.43	347.52	4.24	-42.19
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007599783	0	37	-1.0	-40.69	310.88	5.23	-35.46
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300007599784	0	44	-1.0	-45.43	344.46	4.63	-40.80
CCCC(C)(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300007599785	0	50	-1.0	-45.61	382.23	5.99	-39.62
CCCC(C)(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007599786	0	48	-1.0	-45.22	365.47	5.94	-39.28
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300007599787	0	47	-1.0	-45.82	363.27	5.39	-40.43
CCCOC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1	REAL300007599788	0	44	-1.0	-45.83	343.17	4.69	-41.14
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300007599789	0	38	-1.0	-46.10	316.36	3.55	-42.55
CCCC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007599790	0	38	-1.0	-45.75	326.11	3.82	-41.93
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300007599791	0	41	-1.0	-46.46	320.41	3.75	-42.71
CCCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300007599792	0	47	-1.0	-46.05	360.21	5.25	-40.80
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300007599793	0	41	-1.0	-43.00	323.57	4.00	-39.00
CCCC(C)(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300007599794	0	45	-1.0	-48.52	355.29	3.16	-45.36
CCCC(C)(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300007599795	0	37	-1.0	-44.46	301.44	4.60	-39.86
CCCC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007599796	0	37	-1.0	-39.12	314.21	5.32	-33.80
CCCC(C)(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300007599797	0	42	-1.0	-56.79	321.24	6.66	-50.13
CCCC(C)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300007599798	0	43	-1.0	-43.65	354.91	2.23	-41.42
CCCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007599799	0	46	-1.0	-56.14	381.76	2.08	-54.06
CCCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300007599800	0	42	-1.0	-49.13	347.51	-0.12	-49.25
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC)C(=O)[O-]	REAL300007599801	0	42	-1.0	-55.59	332.96	2.64	-52.95
CCCC(C)(NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300007599802	0	36	-1.0	-43.02	298.26	2.27	-40.75
CCCC(C)(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007599803	0	37	-1.0	-44.24	316.91	5.33	-38.91
CCCC(C)(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300007599804	0	38	-1.0	-44.34	306.56	3.07	-41.27
CCCC(C)(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007599805	0	44	-1.0	-47.70	345.12	7.15	-40.55
CCCC(C)(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007599806	0	37	-1.0	-36.39	329.33	5.57	-30.82
CCCC(C)(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300007599807	0	40	-1.0	-46.11	351.59	4.41	-41.70
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007599808	0	54	-1.0	-45.26	405.49	7.34	-37.92
CCCC(C)(NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300007599809	0	42	-1.0	-50.84	340.74	5.21	-45.63
CCCC(C)(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300007599810	0	42	-1.0	-48.59	336.55	1.45	-47.14
CCCC(C)(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300007599811	0	44	-1.0	-53.47	331.85	5.02	-48.45
CCCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007599812	0	45	-1.0	-55.94	356.89	8.35	-47.59
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300007599813	0	44	-1.0	-43.93	342.68	4.76	-39.17
CCCC(C)(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300007599814	0	42	-1.0	-47.22	321.60	4.96	-42.26
CCCC(C)(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007599815	0	39	-1.0	-45.67	316.97	4.57	-41.10
CCCC(C)(NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007599816	0	47	-1.0	-49.13	370.72	7.56	-41.57
CCCC(C)(NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007599817	0	39	-1.0	-53.12	324.88	5.01	-48.11
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007599818	0	41	-1.0	-47.42	341.82	4.41	-43.01
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007599819	0	48	-1.0	-46.88	382.15	7.00	-39.88
CCCC(C)(NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300007599820	0	42	-1.0	-59.73	335.71	5.50	-54.23
CCCC(C)(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007599821	0	44	-1.0	-48.46	357.81	5.23	-43.23
CCCC(C)(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300007599822	0	37	-1.0	-57.99	301.93	2.89	-55.10
CCCC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007599823	0	42	-1.0	-52.91	348.19	0.38	-52.53
CCCC(C)(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300007599824	0	37	-1.0	-40.71	303.60	4.70	-36.01
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300007599825	0	47	-1.0	-47.26	369.75	6.54	-40.72
CCCC(C)(NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300007599826	0	44	-1.0	-46.37	349.53	5.28	-41.09
CCCC(C)(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007599827	0	39	-1.0	-58.18	319.10	3.85	-54.33
CCCC(C)(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007599828	0	41	-1.0	-47.49	332.46	4.79	-42.70
CCCC(C)(NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300007599829	0	48	-1.0	-48.53	377.16	4.13	-44.40
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1	REAL300007599830	0	50	-1.0	-45.75	386.17	6.25	-39.50
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007599831	0	44	-1.0	-57.37	329.36	6.98	-50.39
CCCC(C)(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007599832	0	40	-1.0	-44.26	320.92	5.65	-38.61
CCCC(C)(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007599833	0	38	-1.0	-43.25	327.33	5.19	-38.06
CCCC(C)(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300007599834	0	39	-1.0	-46.01	306.78	2.97	-43.04
CCCC(C)(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007599835	0	42	-1.0	-52.64	337.08	5.19	-47.45
CCCC(C)(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300007599836	0	40	-1.0	-40.39	317.44	0.17	-40.22
CCCC(C)(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007599837	0	39	-1.0	-60.24	320.93	4.41	-55.83
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300007599838	0	44	-1.0	-43.02	345.45	4.93	-38.09
CCCC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300007599839	0	42	-1.0	-50.54	347.46	-0.14	-50.68
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007599840	0	38	-1.0	-44.33	314.06	4.01	-40.32
CCCC(C)(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300007599841	0	38	-1.0	-45.61	311.15	4.75	-40.86
CCCC(C)(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007599842	0	40	-1.0	-40.39	336.25	5.65	-34.74
CCCC(C)(NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300007599843	0	40	-1.0	-48.03	318.55	3.62	-44.41
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007599844	0	40	-1.0	-46.54	322.70	3.65	-42.89
CCCC(C)(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007599845	0	39	-1.0	-46.10	316.27	4.45	-41.65
CCCC(C)(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007599846	0	46	-1.0	-46.36	367.25	5.71	-40.65
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300007599847	0	40	-1.0	-44.87	325.27	5.23	-39.64
CCCC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007599848	0	40	-1.0	-53.71	348.09	5.39	-48.32
CCCC(C)(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007599849	0	43	-1.0	-47.18	335.62	5.26	-41.92
CCCC(C)(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300007599850	0	42	-1.0	-51.40	338.99	3.97	-47.43
CCCC(C)(NS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007599851	0	41	-1.0	-43.59	341.04	4.45	-39.14
CCCC(C)(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300007599852	0	41	-1.0	-47.87	325.98	3.44	-44.43
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007599853	0	45	-1.0	-48.61	357.39	5.21	-43.40
CCCC(C)(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007599854	0	37	-1.0	-42.67	309.67	5.02	-37.65
CCCC(C)(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007599855	0	46	-1.0	-58.14	367.56	2.23	-55.91
CCCC(C)(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007599856	0	41	-1.0	-37.32	341.95	4.35	-32.97
CCCC(C)(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007599857	0	42	-1.0	-57.11	336.30	4.86	-52.25
CCCC(C)(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007599858	0	37	-1.0	-43.75	321.78	5.43	-38.32
CCCC(C)(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007599859	0	42	-1.0	-43.18	328.33	4.41	-38.77
CCCC(C)(NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300007599860	0	46	-1.0	-52.12	325.84	7.25	-44.87
CCCC(C)(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300007599861	0	46	-1.0	-59.30	363.54	3.19	-56.11
CCCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007599862	0	45	-1.0	-45.85	377.95	7.12	-38.73
CCCC(C)(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007599863	0	40	-1.0	-45.84	338.23	4.54	-41.30
CCCC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007599864	0	40	-1.0	-53.41	358.40	5.85	-47.56
CCCC(C)(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300007599865	0	43	-1.0	-56.52	349.15	3.29	-53.23
CCCC(C)(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007599866	0	37	-1.0	-42.17	312.45	2.50	-39.67
CCCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007599867	0	37	-1.0	-45.18	303.98	4.42	-40.76
CCCC(C)(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007599868	0	37	-1.0	-46.00	296.95	2.38	-43.62
CCCC(C)(NS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300007599869	0	37	-1.0	-43.87	298.04	0.27	-43.60
CCCC(C)(NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300007599870	0	38	-1.0	-58.51	301.77	3.52	-54.99
CCCC(C)(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007599871	0	42	-1.0	-46.78	324.57	4.30	-42.48
CCCC(C)(NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007599872	0	41	-1.0	-58.06	321.19	6.29	-51.77
CCCC(C)(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300007599873	0	44	-1.0	-47.38	353.79	5.46	-41.92
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007599874	0	42	-1.0	-55.26	346.43	5.35	-49.91
CCCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300007599875	0	39	-1.0	-42.91	315.24	4.88	-38.03
CCCC(C)(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300007599876	0	45	-1.0	-50.55	359.64	4.42	-46.13
CCCC(C)(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007599877	0	36	-1.0	-45.36	302.83	3.07	-42.29
CCCC(C)(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007599878	0	42	-1.0	-47.89	322.46	4.13	-43.76
CCCC(C)(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300007599879	0	43	-1.0	-47.41	338.09	6.61	-40.80
CCCC(C)(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300007599880	0	35	-1.0	-51.48	292.71	2.78	-48.70
CCCC(C)(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007599881	0	42	-1.0	-56.25	324.17	4.63	-51.62
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300007599882	0	39	-1.0	-47.40	315.85	3.78	-43.62
CCCC(C)(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007599883	0	39	-1.0	-45.34	320.54	3.98	-41.36
CCCC(C)(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300007599884	0	39	-1.0	-48.48	306.70	3.57	-44.91
CCCC(C)(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007599885	0	40	-1.0	-38.30	334.37	5.87	-32.43
CCCC(C)(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007599886	0	46	-1.0	-43.67	345.25	4.33	-39.34
CCCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007599887	0	36	-1.0	-42.54	305.53	2.81	-39.73
CCCC(C)(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300007599888	0	42	-1.0	-63.57	327.70	4.48	-59.09
CCCC(C)(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007599889	0	42	-1.0	-40.86	335.13	5.74	-35.12
CCCC(C)(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300007599890	0	42	-1.0	-57.66	331.53	7.15	-50.51
CCCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300007599891	0	42	-1.0	-63.03	334.05	6.23	-56.80
CCCC(C)(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007599892	0	44	-1.0	-40.86	347.12	4.65	-36.21
CCCC(C)(NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300007599893	0	37	-1.0	-44.69	296.53	1.17	-43.52
CCCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007599894	0	43	-1.0	-45.69	345.16	5.50	-40.19
CCCC(C)(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300007599895	0	41	-1.0	-46.17	320.25	5.80	-40.37
CCCC(C)(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300007599896	0	42	-1.0	-47.77	329.95	2.33	-45.44
CCCC(C)(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300007599897	0	46	-1.0	-38.76	338.42	5.54	-33.22
CCCC(C)(NS(=O)(=O)CCC1=CC=C(C)C=C1)C(=O)[O-]	REAL300007599898	0	43	-1.0	-40.40	339.03	6.03	-34.37
CCCC(C)(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300007599899	0	40	-1.0	-44.28	314.07	3.24	-41.04
CCCC(C)(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300007599900	0	37	-1.0	-47.77	307.57	4.30	-43.47
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300007599901	0	38	-1.0	-44.00	316.37	3.55	-40.45
CCCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300007599902	0	40	-1.0	-59.15	321.08	5.60	-53.55
CCCC(C)(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007599903	0	42	-1.0	-53.21	327.44	5.63	-47.58
CCCC(C)(NS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300007599904	0	39	-1.0	-46.51	315.57	1.44	-45.07
CCCC(C)(NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300007599905	0	46	-1.0	-46.45	347.91	6.26	-40.19
CCCC(C)(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007599906	0	42	-1.0	-48.41	329.92	6.57	-41.84
CCCC(C)(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300007599907	0	44	-1.0	-60.62	336.41	6.00	-54.62
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300007599908	0	37	-1.0	-46.12	305.16	4.25	-41.87
CCCC(C)(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007599909	0	35	-1.0	-40.29	298.12	1.57	-38.72
CCCC(C)(NS(=O)(=O)C1=CN=C(CC)S1)C(=O)[O-]	REAL300007599910	0	36	-1.0	-44.35	302.43	2.46	-41.89
CCCC(C)(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007599911	0	41	-1.0	-46.57	320.16	3.45	-43.12
CCCC(C)(NS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300007599912	0	37	-1.0	-57.70	303.59	4.65	-53.05
CCCC(C)(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007599913	0	40	-1.0	-60.81	323.02	5.74	-55.07
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007599914	0	37	-1.0	-44.75	304.54	2.79	-41.96
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300007599915	0	40	-1.0	-43.38	317.90	5.08	-38.30
CCCC(C)(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007599916	0	41	-1.0	-49.98	326.83	3.41	-46.57
CCCC(C)(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007599917	0	47	-1.0	-39.80	374.21	5.48	-34.32
CCCC(C)(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007599918	0	38	-1.0	-48.99	317.09	4.03	-44.96
CCCC(C)(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007599919	0	36	-1.0	-47.27	310.74	3.31	-43.96
CCCC(C)(NS(=O)(=O)CC1=CSC(C)=N1)C(=O)[O-]	REAL300007599920	0	36	-1.0	-44.03	302.72	2.25	-41.78
CCCC(C)(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007599921	0	37	-1.0	-37.90	312.69	5.07	-32.83
CCCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300007599922	0	37	-1.0	-43.51	306.37	4.82	-38.69
CCCC(C)(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007599923	0	40	-1.0	-52.11	318.95	4.65	-47.46
CCCC(C)(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300007599924	0	43	-1.0	-55.80	359.00	5.70	-50.10
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007599925	0	42	-1.0	-46.24	331.75	5.24	-41.00
CCCC(C)(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007599926	0	41	-1.0	-53.11	335.97	1.53	-51.58
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007599927	0	43	-1.0	-49.06	341.07	4.34	-44.72
CCCC(C)(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007599928	0	37	-1.0	-40.04	316.00	5.10	-34.94
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1	REAL300007599929	0	59	-1.0	-45.71	450.66	8.59	-37.12
CCCC(C)(NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300007599930	0	47	-1.0	-55.92	364.77	5.99	-49.93
CCCC(C)(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300007599931	0	47	-1.0	-39.56	346.44	4.36	-35.20
CCCC(C)(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300007599932	0	50	-1.0	-41.04	363.69	4.65	-36.39
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007599933	0	48	-1.0	-47.46	388.32	7.05	-40.41
CCCC(C)(NS(=O)(=O)CC(OCC)C1CC1)C(=O)[O-]	REAL300007599934	0	44	-1.0	-40.37	336.99	4.27	-36.10
CCCOC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1C(C)C	REAL300007599935	0	53	-1.0	-45.25	403.42	6.83	-38.42
CCCC(C)(NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300007599936	0	47	-1.0	-50.17	368.07	6.05	-44.12
CCCC(C)(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007599937	0	37	-1.0	-44.54	312.07	3.39	-41.15
CCCC(C)(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007599938	0	42	-1.0	-41.61	337.81	6.10	-35.51
CCCC(C)(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007599939	0	41	-1.0	-43.34	317.38	3.34	-40.00
CCCC(C)(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007599940	0	47	-1.0	-51.87	375.79	6.46	-45.41
CCCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007599941	0	37	-1.0	-39.76	312.89	2.39	-37.37
CCCC(C)(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007599942	0	45	-1.0	-58.77	374.01	8.39	-50.38
CCCC(C)(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007599943	0	44	-1.0	-49.67	343.92	7.25	-42.42
CCCC(C)(NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300007599944	0	47	-1.0	-43.92	364.30	5.50	-38.42
CCCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007599945	0	40	-1.0	-42.86	342.12	5.60	-37.26
CCCC(C)(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007599946	1	36	-1.0	-53.31	301.69	2.85	-50.46
CCCC(C)(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300007599947	0	43	-1.0	-57.25	328.18	7.26	-49.99
CCCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300007599948	0	43	-1.0	-44.28	340.01	2.22	-42.06
CCCC(C)(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300007599949	0	38	-1.0	-52.73	309.17	4.25	-48.48
CCCC(C)(NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007599950	0	50	-1.0	-45.89	380.93	5.95	-39.94
CCCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007599951	0	46	-1.0	-44.38	349.07	5.95	-38.43
CCCC(C)(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007599952	0	53	-1.0	-40.65	397.80	8.36	-32.29
CCCC(C)(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007599953	0	44	-1.0	-43.53	331.39	3.73	-39.80
CCCC(C)(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007599954	0	46	-1.0	-59.90	344.86	4.38	-55.52
CCCC(C)(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007599955	0	44	-1.0	-46.18	339.30	4.02	-42.16
CCCC(C)(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007599956	0	37	-1.0	-36.92	301.94	2.67	-34.25
CCCC(C)(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007599957	0	41	-1.0	-43.88	330.71	4.00	-39.88
C=CCCC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1	REAL300007599958	0	44	-1.0	-46.15	348.16	6.51	-39.64
CCCC(C)(NS(=O)(=O)C1=CN(C)N=C1CC)C(=O)[O-]	REAL300007599959	0	40	-1.0	-53.74	316.64	3.23	-50.51
CCCCOC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1C(C)C	REAL300007599960	0	56	-1.0	-45.34	423.86	7.55	-37.79
CCCC(C)(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007599961	0	38	-1.0	-43.38	323.57	5.62	-37.76
CCCOC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1C(C)(C)C	REAL300007599962	0	56	-1.0	-45.70	414.98	7.41	-38.29
CCCOC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1CC	REAL300007599963	0	50	-1.0	-45.62	385.38	6.21	-39.41
CCCC(C)(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300007599964	0	40	-1.0	-50.90	319.15	6.23	-44.67
CCCC(C)(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007599965	0	40	-1.0	-37.97	333.23	5.76	-32.21
CCCC(C)(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007599966	0	38	-1.0	-45.09	321.08	5.53	-39.56
CCCC1=CC=CC=C1S(=O)(=O)NC(C)(CCC)C(=O)[O-]	REAL300007599967	0	43	-1.0	-57.47	327.38	6.82	-50.65
CCCC(C)(NS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300007599968	0	37	-1.0	-43.56	302.02	1.07	-42.49
CCCC(C)(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007599969	0	50	-1.0	-52.94	390.44	6.94	-46.00
CCCC(C)(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007599970	0	39	-1.0	-45.21	314.03	4.38	-40.83
CCCC(C)(NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300007599971	0	37	-1.0	-44.20	292.11	4.25	-39.95
CCCC(C)(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007599972	0	41	-1.0	-45.97	322.09	3.38	-42.59
CCCC(C)(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007599973	0	41	-1.0	-46.07	322.56	3.62	-42.45
CCCC(C)(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007599974	0	44	-1.0	-51.46	338.20	4.94	-46.52
CCCC(C)(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007599975	0	45	-1.0	-49.03	355.33	1.97	-47.06
CCCC(C)(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007599976	0	40	-1.0	-45.37	339.13	4.78	-40.59
CCCC(C)(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007599977	0	41	-1.0	-46.78	309.36	4.05	-42.73
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C=C1C(C)C	REAL300007599978	0	59	-1.0	-45.12	446.42	8.39	-36.73
CCCC(C)(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300007599979	0	50	-1.0	-58.00	376.87	6.36	-51.64
CCCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300007599980	0	44	-1.0	-45.30	350.28	5.38	-39.92
CCCC(C)(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300007599981	0	42	-1.0	-60.47	332.00	4.87	-55.60
CCCC(C)(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007599982	0	42	-1.0	-44.36	341.04	3.54	-40.82
CCCC(C)(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007599983	0	40	-1.0	-57.87	327.72	4.68	-53.19
CCCC(C)(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300007599984	0	39	-1.0	-55.30	314.21	3.09	-52.21
CCCC(C)(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007599985	0	38	-1.0	-44.71	335.72	4.68	-40.03
CCCC(C)(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300007599986	0	35	-1.0	-41.13	285.83	2.51	-38.62
CCCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007599987	0	37	-1.0	-46.64	310.82	5.28	-41.36
CCCC(C)(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007599988	0	41	-1.0	-46.55	326.02	3.51	-43.04
CCCC(C)(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300007599989	0	43	-1.0	-44.58	325.79	6.12	-38.46
CCCC(C)(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300007599990	0	42	-1.0	-56.05	332.16	4.07	-51.98
CCCC(C)(NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007599991	0	37	-1.0	-45.76	308.56	4.19	-41.57
CCCC(C)(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007599992	0	47	-1.0	-54.34	363.89	5.12	-49.22
CCCC(C)(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300007599993	0	46	-1.0	-52.46	351.47	4.64	-47.82
CCCCN1C=C(S(=O)(=O)NC(C)(CCC)C(=O)[O-])C(C)=N1	REAL300007599994	0	46	-1.0	-43.64	364.54	4.38	-39.26
CCCC(C)(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007599995	0	41	-1.0	-54.89	331.02	4.15	-50.74
CCCC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007599996	0	38	-1.0	-46.98	310.15	3.30	-43.68
CCCC(C)(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007599997	0	39	-1.0	-51.83	324.20	2.29	-49.54
CCCC(C)(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300007599998	0	40	-1.0	-41.69	333.59	5.89	-35.80
CCCC(C)(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007599999	0	40	-1.0	-42.46	342.00	4.85	-37.61
CCCC(C)(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007600000	0	44	-1.0	-54.30	347.80	4.61	-49.69
COC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602068	0	38	-1.0	-56.78	320.61	5.54	-51.24
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602069	0	45	-1.0	-59.65	373.22	5.91	-53.74
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C	REAL300007602070	0	45	-1.0	-49.79	379.63	3.07	-46.72
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007602071	0	52	-1.0	-42.84	377.00	7.32	-35.52
CC1=NC2=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=CC=C2C=C1	REAL300007602072	0	42	-1.0	-53.76	342.91	7.71	-46.05
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007602073	0	42	-1.0	-48.14	352.82	7.52	-40.62
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007602074	0	45	-1.0	-54.68	366.41	4.11	-50.57
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602075	0	48	-1.0	-61.66	407.45	6.87	-54.79
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602076	0	48	-1.0	-60.59	401.25	6.89	-53.70
CCCN1C=NC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602077	0	40	-1.0	-47.19	335.33	6.83	-40.36
COCCOCCOCCS(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602078	0	48	-1.0	-57.29	394.29	2.99	-54.30
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300007602079	0	50	-1.0	-40.84	388.70	7.01	-33.83
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602080	0	41	-1.0	-51.39	354.58	5.86	-45.53
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007602081	0	42	-1.0	-53.80	347.52	3.30	-50.50
COC1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602082	0	38	-1.0	-52.09	339.46	5.50	-46.59
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007602083	0	38	-1.0	-52.62	327.15	5.77	-46.85
COC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CC=C1[N+](=O)[O-]	REAL300007602084	0	40	-1.0	-42.43	345.78	6.39	-36.04
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602085	0	40	-1.0	-50.60	328.94	7.05	-43.55
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602086	0	40	-1.0	-51.26	327.06	7.24	-44.02
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CC=C1C(F)(F)F	REAL300007602087	0	40	-1.0	-41.21	342.21	7.62	-33.59
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300007602088	0	43	-1.0	-56.78	335.01	7.68	-49.10
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300007602089	0	46	-1.0	-58.02	362.26	2.58	-55.44
CCOC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602090	0	41	-1.0	-49.09	341.62	5.87	-43.22
COCCN1C=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=N1	REAL300007602091	0	41	-1.0	-42.86	350.41	3.25	-39.61
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007602092	0	41	-1.0	-58.58	350.66	6.13	-52.45
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007602093	0	42	-1.0	-58.41	360.78	7.86	-50.55
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007602094	0	39	-1.0	-55.33	327.60	5.94	-49.39
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007602095	0	37	-1.0	-41.87	332.92	6.98	-34.89
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007602096	0	37	-1.0	-56.63	329.14	6.90	-49.73
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007602097	0	41	-1.0	-64.48	354.88	3.52	-60.96
CC1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602098	0	37	-1.0	-52.90	331.38	6.86	-46.04
CC1=C(Br)C=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602099	0	37	-1.0	-41.08	318.97	6.77	-34.31
COCC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602100	0	41	-1.0	-53.66	324.89	5.50	-48.16
COC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CC=C1Br	REAL300007602101	0	38	-1.0	-42.18	337.70	6.08	-36.10
COC1=CC(OC)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1Cl	REAL300007602102	0	42	-1.0	-47.96	358.44	5.39	-42.57
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007602103	0	37	-1.0	-45.14	334.61	4.71	-40.43
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007602104	0	37	-1.0	-49.38	328.66	4.54	-44.84
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007602105	0	45	-1.0	-46.55	365.23	7.34	-39.21
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007602106	0	37	-1.0	-59.22	327.71	4.79	-54.43
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602107	0	45	-1.0	-61.40	369.04	4.39	-57.01
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602108	0	46	-1.0	-51.88	394.20	4.86	-47.02
CSC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602109	0	38	-1.0	-47.16	312.94	6.45	-40.71
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007602110	0	42	-1.0	-44.81	366.72	2.87	-41.94
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602111	0	48	-1.0	-48.40	407.09	3.90	-44.50
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007602112	0	45	-1.0	-45.48	358.16	5.46	-40.02
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1F	REAL300007602113	0	45	-1.0	-43.95	388.18	3.76	-40.19
CCC1=CC=C(CS(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602114	0	43	-1.0	-44.22	354.52	7.80	-36.42
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CS1	REAL300007602115	0	37	-1.0	-41.89	321.35	6.70	-35.19
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007602116	0	49	-1.0	-42.31	404.00	6.08	-36.23
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007602117	0	46	-1.0	-44.40	374.74	5.55	-38.85
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602118	0	43	-1.0	-58.43	369.93	4.51	-53.92
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602119	0	44	-1.0	-66.61	374.90	3.00	-63.61
CC1=CC=C(CS(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C	REAL300007602120	0	43	-1.0	-45.34	350.04	7.57	-37.77
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1Br	REAL300007602121	0	41	-1.0	-46.14	359.55	6.99	-39.15
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C1=CC=CC=C1	REAL300007602122	0	48	-1.0	-46.18	395.97	9.18	-37.00
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007602123	0	38	-1.0	-52.55	337.48	6.22	-46.33
COC1=CC=C(Br)C(CS(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602124	0	41	-1.0	-57.63	357.35	6.27	-51.36
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1	REAL300007602125	0	43	-1.0	-52.49	329.74	4.02	-48.47
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007602126	0	48	-1.0	-52.60	400.20	7.52	-45.08
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602127	0	41	-1.0	-56.35	353.34	6.75	-49.60
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300007602128	0	46	-1.0	-54.47	379.36	7.12	-47.35
CCS(=O)(=O)NCCS(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602129	0	41	-1.0	-49.83	351.72	0.38	-49.45
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)OC2=CC=C(F)C=C12	REAL300007602130	0	40	-1.0	-44.41	342.52	6.94	-37.47
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007602131	0	37	-1.0	-52.06	344.71	7.53	-44.53
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C2=CC(Cl)=CC=C2S1	REAL300007602132	0	40	-1.0	-47.04	350.88	8.85	-38.19
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007602133	0	37	-1.0	-43.19	325.44	7.40	-35.79
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007602134	0	40	-1.0	-63.26	343.28	8.34	-54.92
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007602135	0	40	-1.0	-44.34	348.93	7.89	-36.45
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007602136	0	45	-1.0	-45.13	369.03	6.99	-38.14
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007602137	0	48	-1.0	-59.23	399.67	9.09	-50.14
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007602138	0	47	-1.0	-58.35	393.79	7.15	-51.20
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007602139	0	45	-1.0	-47.78	387.89	2.71	-45.07
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C2=CC=CC(C)=C2S1	REAL300007602140	0	43	-1.0	-45.72	357.12	8.47	-37.25
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1N(C)C	REAL300007602141	0	45	-1.0	-46.34	362.67	6.77	-39.57
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007602142	0	40	-1.0	-42.84	349.31	7.59	-35.25
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007602143	0	39	-1.0	-57.91	316.53	2.69	-55.22
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300007602144	0	47	-1.0	-43.11	372.61	6.12	-36.99
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1Cl	REAL300007602145	0	41	-1.0	-42.91	346.75	6.13	-36.78
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007602146	0	43	-1.0	-51.36	372.32	3.88	-47.48
CSC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1Cl	REAL300007602147	0	38	-1.0	-46.17	342.97	7.57	-38.60
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602148	0	46	-1.0	-44.68	359.34	6.52	-38.16
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007602149	0	42	-1.0	-42.73	358.95	4.64	-38.09
CCC1=NOC2=NC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C12	REAL300007602150	0	41	-1.0	-47.14	351.67	3.35	-43.79
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007602151	0	45	-1.0	-44.62	386.92	5.49	-39.13
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007602152	0	39	-1.0	-44.18	332.15	5.22	-38.96
CCC1=CC(CC)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(CC)=C1	REAL300007602153	0	52	-1.0	-42.75	386.47	9.77	-32.98
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007602154	0	41	-1.0	-56.97	334.15	6.13	-50.84
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007602155	0	40	-1.0	-50.17	357.31	3.61	-46.56
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007602156	0	43	-1.0	-43.74	346.87	9.00	-34.74
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(C)=C1F	REAL300007602157	0	41	-1.0	-52.98	329.90	5.31	-47.67
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1(C)CCCCC1	REAL300007602158	0	46	-1.0	-42.01	337.89	7.12	-34.89
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007602159	0	43	-1.0	-44.10	345.06	6.86	-37.24
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007602161	0	42	-1.0	-46.63	359.68	6.91	-39.72
COCC1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602162	0	41	-1.0	-53.68	358.17	5.80	-47.88
CC1=CC=C(CS(=O)(=O)N(CC(=O)[O-])CC(C)C)C(F)=C1	REAL300007602163	0	40	-1.0	-60.27	337.56	7.15	-53.12
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007602165	0	34	-1.0	-38.28	320.51	6.30	-31.98
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007602166	0	47	-1.0	-57.98	377.32	8.91	-49.07
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007602167	0	45	-1.0	-60.20	370.46	6.34	-53.86
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007602168	0	43	-1.0	-46.45	349.01	2.81	-43.64
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007602169	0	37	-1.0	-52.07	325.28	6.07	-46.00
CC1=C(CCS(=O)(=O)N(CC(=O)[O-])CC(C)C)SC=N1	REAL300007602170	0	39	-1.0	-43.61	334.64	5.34	-38.27
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	REAL300007602171	0	44	-1.0	-58.02	333.25	7.07	-50.95
COC1=CC=C2C=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)CCC2=C1	REAL300007602172	0	46	-1.0	-46.40	368.25	7.61	-38.79
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300007602173	0	47	-1.0	-57.90	344.55	7.74	-50.16
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007602174	0	45	-1.0	-52.98	361.12	2.77	-50.21
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300007602175	0	43	-1.0	-61.92	336.08	6.93	-54.99
CC(C)CN(CC(=O)[O-])S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007602176	0	41	-1.0	-56.94	335.44	7.76	-49.18
CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1[N+](=O)[O-]	REAL300007602177	0	42	-1.0	-51.14	350.23	7.92	-43.22
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007602178	0	34	-1.0	-50.96	305.69	6.08	-44.88
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007602179	0	34	-1.0	-50.78	310.26	6.19	-44.59
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007602180	0	36	-1.0	-49.65	314.61	6.24	-43.41
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007602181	0	40	-1.0	-55.21	334.57	7.85	-47.36
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007602182	0	36	-1.0	-49.48	318.47	6.31	-43.17
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602183	0	39	-1.0	-54.18	322.57	6.65	-47.53
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602184	0	38	-1.0	-54.07	318.45	4.86	-49.21
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007602185	0	36	-1.0	-49.75	301.49	6.98	-42.77
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602186	0	41	-1.0	-57.08	354.42	6.99	-50.09
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602187	0	41	-1.0	-53.72	340.30	5.79	-47.93
CC1=CC(C)=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1C	REAL300007602188	0	46	-1.0	-44.81	341.29	7.88	-36.93
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(C)=C1	REAL300007602189	0	43	-1.0	-44.16	336.22	7.98	-36.18
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602190	0	49	-1.0	-43.53	367.76	8.12	-35.41
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007602191	0	37	-1.0	-45.14	329.33	6.66	-38.48
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007602192	0	37	-1.0	-46.68	307.32	7.01	-39.67
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007602193	0	34	-1.0	-44.48	304.52	6.61	-37.87
CC(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602194	0	39	-1.0	-56.91	330.19	5.99	-50.92
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1[N+](=O)[O-]	REAL300007602195	0	40	-1.0	-41.66	343.29	6.84	-34.82
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007602196	0	46	-1.0	-53.77	364.87	7.90	-45.87
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300007602197	0	43	-1.0	-44.93	348.01	8.03	-36.90
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007602198	0	45	-1.0	-49.00	382.69	4.15	-44.85
CCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602199	0	43	-1.0	-44.65	352.33	8.33	-36.32
COC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602200	0	38	-1.0	-45.23	309.48	6.20	-39.03
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1Br	REAL300007602201	0	38	-1.0	-46.29	337.69	6.07	-40.22
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CC=C1Br	REAL300007602202	0	37	-1.0	-41.79	329.75	6.83	-34.96
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C2)=C1	REAL300007602203	0	48	-1.0	-46.11	401.68	9.19	-36.92
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007602204	0	38	-1.0	-50.14	334.94	5.36	-44.78
CC1=C(C)C(C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(C)=C1C	REAL300007602205	0	49	-1.0	-46.91	357.51	8.71	-38.20
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007602206	0	43	-1.0	-46.34	353.05	5.60	-40.74
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602207	0	50	-1.0	-58.88	390.00	7.88	-51.00
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1[N+](=O)[O-]	REAL300007602208	0	39	-1.0	-50.88	334.24	6.81	-44.07
COC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602209	0	38	-1.0	-56.25	335.14	6.18	-50.07
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602210	0	52	-1.0	-44.53	391.03	9.63	-34.90
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007602211	0	37	-1.0	-50.37	327.42	6.58	-43.79
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007602212	0	44	-1.0	-54.90	349.11	8.06	-46.84
COC1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602213	0	42	-1.0	-59.58	343.67	4.77	-54.81
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1OC	REAL300007602214	0	42	-1.0	-47.73	346.49	5.30	-42.43
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007602215	0	41	-1.0	-55.05	334.22	7.48	-47.57
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007602216	0	42	-1.0	-45.77	337.02	8.37	-37.40
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007602217	0	39	-1.0	-45.77	323.74	5.94	-39.83
CC(C)CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602218	0	49	-1.0	-44.45	391.39	9.61	-34.84
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1OCC	REAL300007602219	0	48	-1.0	-45.50	390.21	7.15	-38.35
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007602220	0	39	-1.0	-49.75	342.18	1.06	-48.69
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CC([N+](=O)[O-])=C1C	REAL300007602221	0	42	-1.0	-51.90	351.42	7.41	-44.49
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1C	REAL300007602222	0	42	-1.0	-45.16	344.38	7.49	-37.67
CC1=CC2=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C2N=C1	REAL300007602223	0	42	-1.0	-65.36	346.97	7.40	-57.96
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C([N+](=O)[O-])=C1	REAL300007602224	0	40	-1.0	-45.98	329.43	6.63	-39.35
COC1=CC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602225	0	38	-1.0	-41.75	325.70	6.71	-35.04
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007602226	0	39	-1.0	-54.44	342.02	1.05	-53.39
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007602227	0	46	-1.0	-44.82	395.29	3.89	-40.93
CC(C)CN(CC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007602228	0	42	-1.0	-56.63	352.45	7.48	-49.15
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007602229	0	43	-1.0	-52.18	342.78	6.73	-45.45
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C2=CC=CN=C12	REAL300007602230	0	42	-1.0	-46.22	334.27	6.69	-39.53
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C	REAL300007602231	0	42	-1.0	-67.71	342.79	8.31	-59.40
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007602232	0	45	-1.0	-60.14	385.00	3.54	-56.60
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007602233	0	46	-1.0	-65.05	372.91	4.86	-60.19
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007602234	0	40	-1.0	-58.36	350.95	3.16	-55.20
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007602235	0	44	-1.0	-58.54	354.72	9.35	-49.19
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CC(C)CC(C)C1	REAL300007602236	0	45	-1.0	-53.08	335.25	5.72	-47.36
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007602237	0	40	-1.0	-61.86	326.60	7.83	-54.03
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007602238	0	44	-1.0	-46.62	364.44	9.08	-37.54
CC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602239	0	37	-1.0	-53.12	300.62	6.04	-47.08
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007602240	0	48	-1.0	-46.82	379.83	7.79	-39.03
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007602241	0	35	-1.0	-61.01	312.23	4.16	-56.85
COC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602242	0	38	-1.0	-56.33	330.58	6.08	-50.25
COC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602243	0	38	-1.0	-48.97	317.28	5.39	-43.58
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602244	0	49	-1.0	-45.02	378.21	8.90	-36.12
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1Cl	REAL300007602245	0	37	-1.0	-41.69	323.23	7.21	-34.48
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300007602246	0	44	-1.0	-53.69	355.90	6.48	-47.21
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007602247	0	37	-1.0	-41.92	328.37	6.88	-35.04
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007602248	0	35	-1.0	-45.42	301.74	4.93	-40.49
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007602249	0	39	-1.0	-41.79	339.82	8.32	-33.47
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007602250	0	39	-1.0	-52.94	322.61	7.17	-45.77
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007602251	0	45	-1.0	-48.52	393.27	9.49	-39.03
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602252	0	40	-1.0	-40.50	337.18	6.86	-33.64
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1F	REAL300007602253	0	38	-1.0	-47.56	325.96	5.02	-42.54
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1F	REAL300007602254	0	37	-1.0	-41.54	316.98	6.35	-35.19
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007602255	0	45	-1.0	-43.34	393.18	9.46	-33.88
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C2)C=C1	REAL300007602256	0	49	-1.0	-45.09	409.77	7.81	-37.28
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300007602257	0	61	-1.0	-43.86	436.80	11.56	-32.30
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300007602258	0	50	-1.0	-59.38	395.22	8.77	-50.61
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007602259	0	37	-1.0	-39.49	343.55	7.34	-32.15
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C2=CC=CC=C12	REAL300007602260	0	44	-1.0	-48.13	354.72	7.29	-40.84
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602261	0	39	-1.0	-49.76	318.42	6.72	-43.04
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602262	0	39	-1.0	-54.67	324.25	6.78	-47.89
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602263	0	42	-1.0	-54.50	345.89	7.83	-46.67
CC(C)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602264	0	46	-1.0	-44.53	371.68	8.33	-36.20
COCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602265	0	44	-1.0	-44.60	367.10	6.16	-38.44
COCCN(CCOC)S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602266	0	46	-1.0	-51.29	357.66	3.01	-48.28
CC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602267	0	37	-1.0	-52.74	311.06	6.50	-46.24
COC1=C(C)C=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C	REAL300007602268	0	44	-1.0	-46.13	361.39	6.99	-39.14
CC(C)CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602269	0	50	-1.0	-53.29	398.21	7.91	-45.38
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007602270	0	48	-1.0	-44.92	382.42	8.33	-36.59
CC(C)COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602271	0	47	-1.0	-53.40	379.24	7.30	-46.10
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602272	0	44	-1.0	-53.44	359.14	6.61	-46.83
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1Cl	REAL300007602273	0	38	-1.0	-46.38	333.28	5.95	-40.43
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007602274	0	38	-1.0	-44.37	343.05	6.24	-38.13
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C	REAL300007602275	0	41	-1.0	-44.69	339.82	5.69	-39.00
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CC=C1OC(C)C	REAL300007602276	0	47	-1.0	-44.86	380.11	7.25	-37.61
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(C)=C1	REAL300007602277	0	41	-1.0	-44.68	322.36	5.64	-39.04
COCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602278	0	45	-1.0	-56.14	373.93	5.06	-51.08
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300007602279	0	37	-1.0	-58.21	316.37	6.44	-51.77
CC1=CC(Br)=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602280	0	37	-1.0	-51.12	311.48	6.67	-44.45
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1C	REAL300007602281	0	42	-1.0	-58.67	329.36	8.00	-50.67
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602282	0	43	-1.0	-62.97	355.06	3.50	-59.47
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007602283	0	46	-1.0	-55.35	397.69	3.43	-51.92
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602284	0	42	-1.0	-49.02	367.14	1.82	-47.20
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602285	0	42	-1.0	-62.73	342.97	3.81	-58.92
CC1=NC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300007602286	0	36	-1.0	-44.57	310.19	4.56	-40.01
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007602287	0	37	-1.0	-45.17	314.97	6.51	-38.66
COC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CC=C1F	REAL300007602288	0	38	-1.0	-42.01	325.98	5.02	-36.99
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007602289	0	44	-1.0	-50.20	361.96	9.50	-40.70
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007602290	0	37	-1.0	-39.93	343.13	7.82	-32.11
CC1=NC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)S2)=CS1	REAL300007602291	0	40	-1.0	-53.77	366.14	6.17	-47.60
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007602292	0	54	-1.0	-43.92	422.51	9.73	-34.19
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602293	0	42	-1.0	-51.44	335.19	7.70	-43.74
CNC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CN1C	REAL300007602294	0	42	-1.0	-56.13	350.09	3.12	-53.01
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(C)=C1	REAL300007602295	0	44	-1.0	-43.87	344.20	6.61	-37.26
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007602296	0	45	-1.0	-53.93	365.10	9.87	-44.06
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C	REAL300007602297	0	44	-1.0	-44.12	350.81	6.32	-37.80
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C2=CC=CN=C2C=C1	REAL300007602298	0	42	-1.0	-55.45	330.53	6.58	-48.87
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007602299	0	39	-1.0	-47.16	319.93	5.84	-41.32
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007602300	0	47	-1.0	-49.55	387.58	9.94	-39.61
CCN1C=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C([N+](=O)[O-])=N1	REAL300007602301	0	39	-1.0	-63.24	338.31	6.26	-56.98
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007602302	0	41	-1.0	-45.35	361.18	6.33	-39.02
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007602303	0	48	-1.0	-45.13	401.79	8.93	-36.20
CCC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602304	0	42	-1.0	-56.52	350.84	7.36	-49.16
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007602305	0	44	-1.0	-53.37	372.93	7.08	-46.29
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007602306	0	37	-1.0	-72.29	311.38	4.51	-67.78
CC(C)CCN(CCC(C)C)S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602307	0	56	-1.0	-53.24	417.93	8.68	-44.56
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007602308	0	42	-1.0	-58.28	360.46	2.37	-55.91
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007602309	0	37	-1.0	-41.79	316.03	6.88	-34.91
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C2=CC=CC=C12	REAL300007602310	0	47	-1.0	-59.56	376.77	8.13	-51.43
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602311	0	44	-1.0	-59.59	357.43	7.08	-52.51
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007602312	0	39	-1.0	-62.60	336.95	5.76	-56.84
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007602313	0	41	-1.0	-54.81	349.82	6.68	-48.13
CCOCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602314	0	48	-1.0	-56.18	393.12	6.04	-50.14
CCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602315	0	50	-1.0	-53.23	404.80	8.15	-45.08
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007602316	0	44	-1.0	-58.00	341.93	8.08	-49.92
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007602317	0	40	-1.0	-57.66	331.15	7.36	-50.30
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007602318	0	38	-1.0	-50.35	342.68	7.05	-43.30
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007602319	0	39	-1.0	-54.02	323.17	4.86	-49.16
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007602320	0	42	-1.0	-55.78	351.52	6.90	-48.88
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007602321	0	40	-1.0	-64.52	322.02	1.72	-62.80
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007602322	0	39	-1.0	-58.80	336.93	5.75	-53.05
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(C)=C1	REAL300007602323	0	44	-1.0	-44.18	347.46	6.58	-37.60
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602324	0	42	-1.0	-55.33	364.38	2.27	-53.06
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007602325	0	38	-1.0	-44.13	319.28	6.45	-37.68
CSC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602326	0	38	-1.0	-53.71	326.49	6.60	-47.11
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007602327	0	40	-1.0	-41.75	350.69	7.39	-34.36
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602328	0	45	-1.0	-56.70	356.19	7.25	-49.45
CCN1C=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)N=C1C	REAL300007602329	0	40	-1.0	-48.81	333.59	5.89	-42.92
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007602330	0	40	-1.0	-48.70	325.66	5.72	-42.98
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007602331	0	39	-1.0	-45.32	311.97	5.89	-39.43
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007602332	0	46	-1.0	-56.60	378.35	7.43	-49.17
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C(F)(F)F	REAL300007602333	0	40	-1.0	-40.83	342.21	7.63	-33.20
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007602334	0	40	-1.0	-56.65	361.69	6.38	-50.27
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007602335	0	43	-1.0	-56.54	351.15	7.17	-49.37
CC1=NN(C)C2=NC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C12	REAL300007602336	0	42	-1.0	-44.81	356.68	5.38	-39.43
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602337	0	41	-1.0	-58.87	357.23	6.21	-52.66
COCC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602338	0	41	-1.0	-46.54	342.84	5.83	-40.71
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007602339	0	45	-1.0	-50.14	362.10	7.45	-42.69
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007602340	0	37	-1.0	-56.97	325.91	6.78	-50.19
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007602341	0	46	-1.0	-68.71	385.25	4.08	-64.63
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007602342	0	41	-1.0	-41.45	357.62	6.16	-35.29
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007602343	0	42	-1.0	-48.36	344.26	6.46	-41.90
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007602344	0	37	-1.0	-46.54	336.52	7.74	-38.80
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300007602345	0	42	-1.0	-53.48	345.73	6.19	-47.29
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602346	0	46	-1.0	-42.23	342.73	8.30	-33.93
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602347	0	46	-1.0	-53.25	369.19	4.09	-49.16
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007602348	0	45	-1.0	-45.41	393.18	9.45	-35.96
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007602349	0	40	-1.0	-46.32	356.83	6.32	-40.00
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007602350	0	40	-1.0	-56.56	369.68	6.79	-49.77
CC1=NC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C2)=CO1	REAL300007602351	0	43	-1.0	-52.07	364.16	5.15	-46.92
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007602352	0	37	-1.0	-41.16	322.70	4.57	-36.59
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007602353	0	37	-1.0	-55.63	318.90	6.00	-49.63
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007602354	0	37	-1.0	-51.84	312.42	4.23	-47.61
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=N1	REAL300007602355	0	37	-1.0	-51.61	313.59	2.26	-49.35
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2CCCN12	REAL300007602356	0	38	-1.0	-51.69	314.06	4.88	-46.81
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007602357	0	42	-1.0	-53.85	340.07	6.20	-47.65
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007602358	0	41	-1.0	-54.78	326.54	7.58	-47.20
CC1=CC=C(N2C=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=N2)C=C1	REAL300007602359	0	44	-1.0	-46.64	370.03	7.89	-38.75
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007602360	0	42	-1.0	-42.34	361.55	7.21	-35.13
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CC=C1[N+](=O)[O-]	REAL300007602361	0	39	-1.0	-40.32	334.54	6.82	-33.50
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=N1	REAL300007602362	0	45	-1.0	-50.52	378.10	6.40	-44.12
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007602363	0	36	-1.0	-52.87	320.70	5.06	-47.81
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300007602364	0	42	-1.0	-55.99	339.75	5.95	-50.04
CC1=CC2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C2C=C1	REAL300007602365	0	43	-1.0	-54.96	353.67	8.50	-46.46
COC1=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)SC=C1	REAL300007602366	0	35	-1.0	-47.58	308.25	5.13	-42.45
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300007602367	0	42	-1.0	-47.48	341.09	6.00	-41.48
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007602368	0	39	-1.0	-48.97	318.82	6.29	-42.68
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007602369	0	39	-1.0	-62.59	334.13	5.77	-56.82
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007602370	0	39	-1.0	-54.82	324.45	5.41	-49.41
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007602371	0	40	-1.0	-55.42	349.30	7.71	-47.71
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007602372	0	46	-1.0	-49.97	361.99	6.64	-43.33
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007602373	0	36	-1.0	-50.17	323.44	4.80	-45.37
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CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602375	0	42	-1.0	-41.86	344.71	7.49	-34.37
CC1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1[N+](=O)[O-]	REAL300007602376	0	42	-1.0	-54.78	339.08	8.80	-45.98
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1[N+](=O)[O-]	REAL300007602377	0	42	-1.0	-49.51	345.12	7.77	-41.74
COC1=CC=C(CCS(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602378	0	44	-1.0	-56.84	362.07	6.49	-50.35
COC1=CN=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602379	0	37	-1.0	-52.28	313.29	3.05	-49.23
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007602380	0	43	-1.0	-44.01	360.92	7.76	-36.25
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007602381	0	41	-1.0	-44.94	339.48	7.75	-37.19
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CC(C)CN(CC(=O)[O-])S(=O)(=O)CCC1CCCCC1	REAL300007602383	0	46	-1.0	-56.24	354.61	7.30	-48.94
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CC1=CC2=C(C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C)OCO2	REAL300007602385	0	40	-1.0	-43.19	319.24	5.00	-38.19
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007602386	0	37	-1.0	-49.01	312.30	6.54	-42.47
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CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007602388	0	40	-1.0	-56.78	338.48	6.99	-49.79
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C2=NC=CC=C2C=C1	REAL300007602389	0	42	-1.0	-54.81	338.14	7.55	-47.26
CC1=NC2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C2O1	REAL300007602390	0	39	-1.0	-46.67	334.02	3.32	-43.35
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COC1=CC(C)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602393	0	44	-1.0	-48.96	352.61	7.47	-41.49
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CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007602395	0	35	-1.0	-38.73	301.72	3.80	-34.93
CCC1=NC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300007602396	0	36	-1.0	-51.39	319.26	4.13	-47.26
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300007602397	0	41	-1.0	-55.14	333.87	5.32	-49.82
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300007602398	0	37	-1.0	-45.52	315.62	6.46	-39.06
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007602399	0	40	-1.0	-48.93	331.28	7.17	-41.76
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007602400	0	37	-1.0	-45.50	301.17	4.93	-40.57
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CC(C)=C1F	REAL300007602401	0	40	-1.0	-42.46	337.40	6.99	-35.47
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007602402	0	41	-1.0	-46.57	346.24	5.41	-41.16
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007602403	0	47	-1.0	-42.70	386.64	7.66	-35.04
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007602404	0	38	-1.0	-49.93	323.22	5.71	-44.22
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007602405	0	36	-1.0	-49.92	317.27	5.42	-44.50
CC1=NC(CS(=O)(=O)N(CC(=O)[O-])CC(C)C)=CS1	REAL300007602406	0	36	-1.0	-45.14	318.21	4.03	-41.11
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007602407	0	37	-1.0	-41.32	328.36	6.89	-34.43
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CC=C1Cl	REAL300007602408	0	37	-1.0	-41.82	325.73	6.74	-35.08
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007602409	0	40	-1.0	-47.73	338.37	6.64	-41.09
CC1=CSC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C2)=N1	REAL300007602410	0	43	-1.0	-44.81	376.49	7.13	-37.68
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007602411	0	42	-1.0	-60.33	334.19	6.89	-53.44
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007602412	0	41	-1.0	-48.87	355.36	3.51	-45.36
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007602413	0	43	-1.0	-49.61	346.41	6.02	-43.59
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007602414	0	37	-1.0	-55.96	331.17	6.91	-49.05
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602415	0	59	-1.0	-53.26	466.63	10.51	-42.75
CCC(C)OC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602416	0	47	-1.0	-50.08	377.80	7.76	-42.32
COC(CS(=O)(=O)N(CC(=O)[O-])CC(C)C)C1CCCC1	REAL300007602417	0	47	-1.0	-56.27	363.55	6.02	-50.25
COC(CS(=O)(=O)N(CC(=O)[O-])CC(C)C)C1CCCCC1	REAL300007602418	0	50	-1.0	-57.05	379.79	6.37	-50.68
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007602419	0	48	-1.0	-48.83	405.24	9.45	-39.38
CCOC(CS(=O)(=O)N(CC(=O)[O-])CC(C)C)C1CC1	REAL300007602420	0	44	-1.0	-58.33	353.50	5.89	-52.44
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C(C)C	REAL300007602421	0	53	-1.0	-44.51	419.24	9.15	-35.36
CCC1=NC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CN1CC1CC1	REAL300007602422	0	47	-1.0	-62.56	381.78	7.25	-55.31
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007602423	0	37	-1.0	-45.67	327.72	5.60	-40.07
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(C)=C1[N+](=O)[O-]	REAL300007602424	0	42	-1.0	-53.31	343.86	7.53	-45.78
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007602425	0	41	-1.0	-50.84	332.65	5.45	-45.39
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007602426	0	47	-1.0	-52.26	382.20	7.71	-44.55
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007602427	0	37	-1.0	-42.76	325.95	4.60	-38.16
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007602428	0	45	-1.0	-56.25	389.35	9.66	-46.59
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007602429	0	44	-1.0	-62.92	351.35	8.94	-53.98
CCC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C(C)C=C1OC	REAL300007602430	0	47	-1.0	-53.69	366.55	6.75	-46.94
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007602431	0	40	-1.0	-40.45	361.74	7.52	-32.93
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007602432	0	36	-1.0	-53.15	310.83	4.50	-48.65
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C2=CC=CC=C2C=C1	REAL300007602433	0	43	-1.0	-47.63	338.19	8.61	-39.02
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300007602434	0	43	-1.0	-50.43	357.87	4.08	-46.35
COC1=C(F)C=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602435	0	38	-1.0	-54.26	317.56	5.81	-48.45
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C(C)C	REAL300007602436	0	50	-1.0	-44.71	400.20	7.89	-36.82
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007602437	0	46	-1.0	-41.78	368.48	7.90	-33.88
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007602438	0	53	-1.0	-43.80	411.48	10.64	-33.16
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007602439	0	44	-1.0	-46.44	350.21	5.91	-40.53
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007602440	0	46	-1.0	-43.88	356.34	5.75	-38.13
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007602441	0	44	-1.0	-54.08	356.89	5.89	-48.19
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007602442	0	37	-1.0	-51.04	306.32	4.41	-46.63
COC1=CC=C(F)C=C1CS(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602443	0	41	-1.0	-58.59	345.64	5.83	-52.76
C=CCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602444	0	44	-1.0	-44.19	367.73	8.43	-35.76
CCC1=NN(C)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602445	0	40	-1.0	-46.63	331.05	4.64	-41.99
CCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C(C)C	REAL300007602446	0	56	-1.0	-45.95	440.73	9.94	-36.01
CC(C)CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007602447	0	38	-1.0	-53.13	338.05	7.47	-45.66
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C(C)(C)C	REAL300007602448	0	56	-1.0	-44.84	431.78	9.81	-35.03
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1CC	REAL300007602449	0	50	-1.0	-45.84	402.31	8.62	-37.22
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602450	0	40	-1.0	-40.77	331.51	7.82	-32.95
CC1=CC(Br)=CC=C1CS(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602451	0	40	-1.0	-56.33	349.40	7.52	-48.81
CC(C)CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007602452	0	38	-1.0	-45.75	334.52	7.72	-38.03
CCCC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602453	0	43	-1.0	-43.84	335.28	7.46	-36.38
COC1=NC=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602454	0	37	-1.0	-46.92	308.65	3.33	-43.59
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602455	0	50	-1.0	-49.78	402.47	8.75	-41.03
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007602456	0	39	-1.0	-47.14	320.55	6.03	-41.11
CC1=CSC(C)=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602457	0	37	-1.0	-52.31	303.41	5.95	-46.36
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007602458	0	41	-1.0	-51.64	330.78	5.43	-46.21
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007602459	0	41	-1.0	-44.00	336.71	5.76	-38.24
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007602460	0	44	-1.0	-51.86	350.45	6.04	-45.82
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007602461	0	45	-1.0	-49.98	361.13	4.17	-45.81
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007602462	0	40	-1.0	-52.64	353.68	6.47	-46.17
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300007602463	0	41	-1.0	-50.73	329.79	5.59	-45.14
CCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C(C)C	REAL300007602464	0	59	-1.0	-44.26	464.70	10.26	-34.00
COC1=CC(C(C)C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C	REAL300007602465	0	50	-1.0	-47.06	386.32	7.75	-39.31
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300007602466	0	44	-1.0	-57.66	360.44	7.11	-50.55
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300007602467	0	42	-1.0	-57.82	334.13	6.44	-51.38
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007602468	0	42	-1.0	-51.33	355.57	5.22	-46.11
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007602469	0	40	-1.0	-58.13	333.55	6.09	-52.04
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602470	0	39	-1.0	-64.02	326.75	4.93	-59.09
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007602471	0	43	-1.0	-53.83	329.16	5.88	-47.95
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007602472	0	38	-1.0	-56.86	341.40	6.06	-50.80
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007602473	0	35	-1.0	-38.60	305.11	4.43	-34.17
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007602474	0	37	-1.0	-48.60	326.92	7.54	-41.06
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007602475	0	41	-1.0	-46.30	338.85	5.85	-40.45
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(C)=C1F	REAL300007602476	0	43	-1.0	-52.66	334.36	7.60	-45.06
COC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1OC	REAL300007602477	0	42	-1.0	-56.84	337.93	5.42	-51.42
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=COC2=CC=CC=C12	REAL300007602478	0	37	-1.0	-55.58	316.21	5.80	-49.78
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007602479	0	47	-1.0	-46.73	372.44	6.35	-40.38
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602480	0	46	-1.0	-45.11	362.49	6.54	-38.57
CCCCN1C=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(C)=N1	REAL300007602481	0	46	-1.0	-47.20	367.00	5.99	-41.21
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007602482	0	41	-1.0	-47.66	337.18	5.77	-41.89
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007602483	0	38	-1.0	-54.30	325.54	5.16	-49.14
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007602484	0	39	-1.0	-69.55	332.22	4.22	-65.33
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1Br	REAL300007602485	0	40	-1.0	-43.30	335.62	7.55	-35.75
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CCCC(C)(C)C1	REAL300007602486	0	45	-1.0	-54.62	338.01	6.21	-48.41
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007602487	0	40	-1.0	-50.41	350.93	6.73	-43.68
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007602488	0	44	-1.0	-46.75	354.21	5.83	-40.92
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300007602489	0	52	-1.0	-44.11	392.23	9.09	-35.02
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007602490	0	40	-1.0	-45.10	358.99	7.97	-37.13
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007602491	0	44	-1.0	-44.80	364.63	6.28	-38.52
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007602492	0	38	-1.0	-56.26	322.19	6.71	-49.55
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007602493	0	45	-1.0	-46.28	379.45	8.90	-37.38
COC1=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C2=NC=CC=C2C=C1	REAL300007602494	0	43	-1.0	-72.04	352.08	6.86	-65.18
CCCC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602495	0	43	-1.0	-45.85	352.17	8.32	-37.53
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007602496	0	41	-1.0	-52.05	329.05	4.89	-47.16
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007602497	0	43	-1.0	-51.87	334.82	5.09	-46.78
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007602498	0	43	-1.0	-52.93	349.24	5.16	-47.77
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007602499	0	41	-1.0	-46.80	329.16	4.56	-42.24
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CN=C1C(F)(F)F	REAL300007602500	0	39	-1.0	-44.04	338.71	5.91	-38.13
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007602501	0	37	-1.0	-48.48	333.82	6.65	-41.83
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602502	0	45	-1.0	-56.28	372.33	8.13	-48.15
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007602503	0	45	-1.0	-55.92	353.64	8.53	-47.39
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007602504	0	40	-1.0	-43.27	344.80	6.98	-36.29
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007602505	0	40	-1.0	-45.40	328.82	6.49	-38.91
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007602506	0	41	-1.0	-48.71	340.92	4.00	-44.71
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007602507	0	34	-1.0	-57.28	308.47	5.70	-51.58
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007602508	0	41	-1.0	-44.74	337.00	8.21	-36.53
COC1=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=CS1	REAL300007602509	0	35	-1.0	-55.91	301.98	4.18	-51.73
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007602510	0	44	-1.0	-51.50	350.78	6.06	-45.44
CCC(C)N1N=CC=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602511	0	43	-1.0	-49.85	342.12	5.24	-44.61
CC(C)CN(CC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300007602512	0	48	-1.0	-41.78	355.94	6.53	-35.25
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007602513	0	48	-1.0	-45.93	379.86	4.84	-41.09
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007602514	0	40	-1.0	-48.65	341.00	7.63	-41.02
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007602515	0	38	-1.0	-47.60	327.03	5.68	-41.92
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007602516	0	49	-1.0	-42.40	385.19	8.30	-34.10
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)S1	REAL300007602517	0	35	-1.0	-43.24	311.71	4.55	-38.69
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C2=NC=CC=C12	REAL300007602518	0	45	-1.0	-52.49	355.43	7.67	-44.82
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007602519	0	42	-1.0	-39.96	342.70	6.17	-33.79
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(CCF)N=C1	REAL300007602520	0	37	-1.0	-46.35	323.41	4.35	-42.00
CCOCC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602521	0	44	-1.0	-46.52	367.17	6.33	-40.19
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007602522	0	44	-1.0	-48.51	363.97	7.17	-41.34
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007602523	0	47	-1.0	-45.00	376.76	6.60	-38.40
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007602524	0	45	-1.0	-45.28	379.12	8.49	-36.79
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CF	REAL300007602525	0	37	-1.0	-56.70	301.77	6.62	-50.08
CC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CC(C)=C1Br	REAL300007602526	0	40	-1.0	-42.86	348.08	7.40	-35.46
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C2=CC=CC=C12	REAL300007602527	0	43	-1.0	-61.92	344.32	8.36	-53.56
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007602528	0	44	-1.0	-45.64	359.91	7.19	-38.45
CC(C)CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007602529	0	38	-1.0	-53.33	329.71	6.94	-46.39
CC(C)CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007602530	0	38	-1.0	-53.04	342.62	7.56	-45.48
CC(C)CN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007602531	0	38	-1.0	-53.00	342.61	7.57	-45.43
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007602532	0	39	-1.0	-43.61	329.06	0.06	-43.55
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007602533	0	37	-1.0	-56.96	311.95	5.74	-51.22
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1CCC(F)(F)CC1	REAL300007602534	0	40	-1.0	-58.42	315.81	5.84	-52.58
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007602535	0	36	-1.0	-50.14	321.16	5.04	-45.10
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCOC1CCOC1	REAL300007602536	0	42	-1.0	-46.25	340.70	3.30	-42.95
CC1=NC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C(C2=CC=CC=C2)O1	REAL300007602537	0	43	-1.0	-58.99	361.42	4.73	-54.26
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007602538	0	51	-1.0	-58.59	364.12	8.60	-49.99
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1CC(C)(C)CO1	REAL300007602539	0	44	-1.0	-42.47	346.43	5.30	-37.17
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007602540	0	37	-1.0	-64.87	319.56	1.30	-63.57
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007602541	0	42	-1.0	-46.13	326.87	6.09	-40.04
CC(C)CN(CC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300007602542	0	42	-1.0	-53.97	358.36	2.46	-51.51
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007602543	0	47	-1.0	-58.91	362.23	5.73	-53.18
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007602544	0	44	-1.0	-41.91	356.38	8.41	-33.50
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007602545	0	38	-1.0	-63.36	335.28	4.73	-58.63
CC(C)CN(CC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007602546	0	44	-1.0	-44.54	369.16	9.03	-35.51
CC(C)CN(CC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007602547	0	43	-1.0	-61.81	340.78	3.39	-58.42
CC(C)CN(CC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007602548	0	47	-1.0	-56.83	356.13	7.62	-49.21
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007602549	0	38	-1.0	-54.36	332.98	6.92	-47.44
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007602550	0	56	-1.0	-46.92	417.35	10.26	-36.66
COC1=CC=C(C=C(C)S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602551	0	45	-1.0	-54.66	362.39	6.61	-48.05
COC1=CSC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1OC	REAL300007602552	0	39	-1.0	-57.11	338.42	3.65	-53.46
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007602553	0	46	-1.0	-53.98	346.54	5.96	-48.02
CC(C)CN(CC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007602554	0	45	-1.0	-42.60	369.40	7.93	-34.67
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007602555	0	38	-1.0	-53.62	334.32	6.63	-46.99
COC1=CC(F)=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(F)=C1	REAL300007602556	0	38	-1.0	-56.27	320.67	5.05	-51.22
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007602557	0	38	-1.0	-43.60	333.25	5.75	-37.85
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007602558	0	40	-1.0	-52.29	329.82	5.47	-46.82
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007602559	0	41	-1.0	-58.55	342.36	7.34	-51.21
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007602560	0	43	-1.0	-52.29	367.53	6.07	-46.22
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602561	0	47	-1.0	-55.34	376.43	7.85	-47.49
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007602562	0	45	-1.0	-56.74	377.98	8.43	-48.31
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007602563	0	40	-1.0	-51.09	321.25	7.04	-44.05
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007602564	0	35	-1.0	-45.39	319.32	5.04	-40.35
C=C(C)COC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602565	0	45	-1.0	-50.20	371.44	7.72	-42.48
CCN1C=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(C2CC2)=N1	REAL300007602566	0	44	-1.0	-47.47	360.68	6.19	-41.28
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C2=NSN=C2C=C1	REAL300007602567	0	38	-1.0	-44.60	318.74	5.15	-39.45
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007602568	0	40	-1.0	-53.00	349.01	8.34	-44.66
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007602569	0	44	-1.0	-52.54	377.31	9.51	-43.03
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007602570	0	33	-1.0	-39.14	315.18	4.08	-35.06
CCC1=CC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=CC=C1Br	REAL300007602571	0	40	-1.0	-42.09	346.81	7.98	-34.11
CC1=NN(C2CCCC2)C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602572	0	47	-1.0	-44.86	368.81	7.11	-37.75
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CS1	REAL300007602573	0	31	-1.0	-41.45	299.08	5.17	-36.28
COCCC1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602574	0	48	-1.0	-59.57	390.78	5.99	-53.58
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007602575	0	40	-1.0	-46.33	344.56	8.44	-37.89
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007602576	0	42	-1.0	-48.02	334.49	3.63	-44.39
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007602577	0	41	-1.0	-44.26	321.99	7.53	-36.73
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CCC(C)(C)CC1	REAL300007602578	0	45	-1.0	-42.16	343.38	5.74	-36.42
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007602579	0	49	-1.0	-53.51	390.84	5.95	-47.56
COC1=NC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602580	0	37	-1.0	-52.72	328.40	3.44	-49.28
COC1=NC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1C	REAL300007602581	0	40	-1.0	-45.44	335.10	3.50	-41.94
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300007602582	0	43	-1.0	-55.37	356.67	5.67	-49.70
CC1=NN(C(C)C)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602583	0	43	-1.0	-47.22	342.71	4.96	-42.26
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007602584	0	44	-1.0	-55.03	339.39	3.32	-51.71
COCC1=CC(CS(=O)(=O)N(CC(=O)[O-])CC(C)C)=NO1	REAL300007602585	0	40	-1.0	-58.01	341.36	3.60	-54.41
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007602586	0	39	-1.0	-54.17	341.34	7.47	-46.70
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007602587	0	45	-1.0	-55.26	364.57	6.03	-49.23
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)C	REAL300007602588	0	40	-1.0	-41.68	321.87	5.13	-36.55
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007602589	0	41	-1.0	-43.55	334.87	5.69	-37.86
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007602590	0	41	-1.0	-51.54	344.43	6.82	-44.72
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007602591	0	36	-1.0	-54.63	320.36	4.56	-50.07
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007602592	0	39	-1.0	-48.35	323.80	5.98	-42.37
CC1=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=NN1C(C)C	REAL300007602593	0	43	-1.0	-51.76	345.01	4.94	-46.82
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C=C1	REAL300007602594	0	48	-1.0	-45.89	397.36	9.66	-36.23
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007602595	0	39	-1.0	-61.28	325.67	6.50	-54.78
CC1=CN=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(C)=C1	REAL300007602596	0	39	-1.0	-45.24	315.71	5.47	-39.77
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300007602597	0	37	-1.0	-52.12	316.63	5.66	-46.46
CC(C)CN(CC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007602598	0	42	-1.0	-44.58	346.84	1.41	-43.17
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CC2CCC(C1)O2	REAL300007602599	0	41	-1.0	-43.85	320.36	4.17	-39.68
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CCC(C#N)CC1	REAL300007602600	0	40	-1.0	-41.50	327.98	5.12	-36.38
COC1=CC=NC(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602601	0	37	-1.0	-56.70	306.45	3.17	-53.53
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C(C(F)F)=C1	REAL300007602602	0	41	-1.0	-61.14	334.37	6.35	-54.79
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)N=C1	REAL300007602603	0	37	-1.0	-55.27	313.71	3.41	-51.86
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602604	0	40	-1.0	-52.06	350.78	3.93	-48.13
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007602605	0	39	-1.0	-46.90	322.02	6.07	-40.83
CCOC1=CC=CN=C1S(=O)(=O)N(CC(=O)[O-])CC(C)C	REAL300007602606	0	40	-1.0	-52.20	330.81	5.56	-46.64
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)C2=NC=CC=C12	REAL300007602607	0	42	-1.0	-54.04	342.45	7.25	-46.79
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007602608	0	38	-1.0	-47.96	316.96	5.89	-42.07
CC(C)CN(CC(=O)[O-])S(=O)(=O)N1CCC(F)(F)C1	REAL300007602609	0	36	-1.0	-44.73	303.98	4.03	-40.70
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007602610	0	36	-1.0	-61.04	316.27	4.62	-56.42
CC(C)CN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007602611	0	41	-1.0	-57.30	358.96	6.46	-50.84
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(CC(=O)[O-])CC(C)C)=C1	REAL300007602612	0	47	-1.0	-60.02	373.83	7.69	-52.33
CCC(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602613	0	41	-1.0	-45.16	338.61	7.50	-37.66
CC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602614	0	32	-1.0	-42.73	288.16	5.93	-36.80
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007602615	0	33	-1.0	-57.60	300.27	5.30	-52.30
CS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602616	0	35	-1.0	-54.11	320.62	2.43	-51.68
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007602617	0	33	-1.0	-40.57	305.91	4.70	-35.87
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1OC	REAL300007602618	0	40	-1.0	-46.34	326.93	4.55	-41.79
CC1=CC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602619	0	32	-1.0	-50.94	284.75	5.85	-45.09
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007602620	0	45	-1.0	-45.10	361.78	8.72	-36.38
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007602621	0	35	-1.0	-56.29	305.77	4.10	-52.19
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC=C1Br	REAL300007602622	0	29	-1.0	-54.64	269.11	5.17	-49.47
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007602623	0	29	-1.0	-41.51	281.21	5.53	-35.98
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602624	0	34	-1.0	-71.62	280.55	6.80	-64.82
O=C([O-])CN(C1CC1)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007602625	0	35	-1.0	-41.42	313.74	6.76	-34.66
CN(C)S(=O)(=O)CCCS(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602626	0	39	-1.0	-67.41	345.20	1.48	-65.93
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602627	0	40	-1.0	-48.74	342.53	6.75	-41.99
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007602628	0	35	-1.0	-54.54	306.96	5.46	-49.08
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=N1	REAL300007602629	0	35	-1.0	-50.98	310.33	2.56	-48.42
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602630	0	38	-1.0	-56.60	344.95	3.13	-53.47
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C(C)=C1C	REAL300007602631	0	39	-1.0	-44.42	316.04	5.41	-39.01
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007602632	0	34	-1.0	-47.78	314.47	5.47	-42.31
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007602633	0	32	-1.0	-57.10	306.30	6.31	-50.79
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007602634	0	34	-1.0	-50.44	300.90	5.29	-45.15
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602635	0	46	-1.0	-47.11	397.96	4.08	-43.03
CS(=O)(=O)N1CCN(S(=O)(=O)N(CC(=O)[O-])C2CC2)CC1	REAL300007602636	0	39	-1.0	-61.49	334.28	0.61	-60.88
CC1=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=NN1C1=CC=CC=N1	REAL300007602637	0	38	-1.0	-57.73	326.79	5.91	-51.82
CCN1N=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1C	REAL300007602638	0	38	-1.0	-55.87	319.62	4.84	-51.03
CC(C)CN1C=NC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602639	0	38	-1.0	-52.07	322.38	6.18	-45.89
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602640	0	41	-1.0	-57.59	313.11	7.69	-49.90
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007602641	0	42	-1.0	-59.67	358.98	7.44	-52.23
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602642	0	37	-1.0	-46.87	326.40	4.31	-42.56
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007602643	0	35	-1.0	-42.41	320.98	5.92	-36.49
COC1=CC(Cl)=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1OC	REAL300007602644	0	37	-1.0	-44.61	323.26	4.35	-40.26
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C(OC)C=C1Br	REAL300007602645	0	37	-1.0	-46.06	333.18	4.74	-41.32
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1Br	REAL300007602646	0	32	-1.0	-52.37	300.78	6.13	-46.24
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007602647	0	35	-1.0	-53.71	310.17	7.26	-46.45
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007602648	0	34	-1.0	-52.96	316.75	7.03	-45.93
COCCOC1=C(Cl)C=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1Cl	REAL300007602649	0	40	-1.0	-50.47	382.29	5.68	-44.79
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007602650	0	33	-1.0	-44.60	305.39	4.54	-40.06
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007602651	0	36	-1.0	-47.44	320.19	6.51	-40.93
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602652	0	44	-1.0	-55.61	351.81	5.94	-49.67
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007602653	0	32	-1.0	-47.26	294.09	5.84	-41.42
COCC1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602654	0	40	-1.0	-49.21	338.41	4.50	-44.71
COC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602657	0	33	-1.0	-47.31	289.73	4.84	-42.47
CC1=C(Br)C=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007602658	0	34	-1.0	-51.24	323.37	6.63	-44.61
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602659	0	40	-1.0	-50.12	341.03	5.16	-44.96
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1C	REAL300007602660	0	40	-1.0	-47.85	351.79	1.88	-45.97
O=C([O-])CN(C1CC1)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007602661	0	47	-1.0	-43.17	346.49	6.55	-36.62
CC1=NC2=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=CC=C2C=C1	REAL300007602662	0	37	-1.0	-53.83	316.62	6.54	-47.29
O=C([O-])CN(C1CC1)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007602663	0	37	-1.0	-47.82	316.54	6.64	-41.18
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007602664	0	40	-1.0	-53.74	338.45	3.49	-50.25
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602665	0	43	-1.0	-47.56	376.20	6.06	-41.50
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602666	0	43	-1.0	-48.00	369.73	6.15	-41.85
COCCOCCOCCS(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602667	0	43	-1.0	-57.98	369.73	2.28	-55.70
CC(COC1CCCC1)CS(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602668	0	45	-1.0	-58.14	362.07	6.32	-51.82
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007602669	0	44	-1.0	-47.18	376.66	6.29	-40.89
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602670	0	36	-1.0	-51.95	329.86	5.26	-46.69
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007602671	0	37	-1.0	-52.90	319.34	2.70	-50.20
COC1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602672	0	33	-1.0	-52.66	312.08	4.86	-47.80
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007602673	0	33	-1.0	-46.75	299.47	5.10	-41.65
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300007602674	0	35	-1.0	-43.31	315.45	5.64	-37.67
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602675	0	35	-1.0	-50.33	306.75	6.33	-44.00
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602676	0	35	-1.0	-42.83	305.58	6.31	-36.52
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CC=C1C(F)(F)F	REAL300007602677	0	35	-1.0	-41.82	314.36	6.42	-35.40
O=C([O-])CN(C1CC1)S(=O)(=O)CCCN1CCOCC1	REAL300007602678	0	41	-1.0	-58.49	334.95	1.94	-56.55
COCCN1C=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=N1	REAL300007602679	0	36	-1.0	-55.09	321.04	2.55	-52.54
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007602680	0	36	-1.0	-50.47	324.27	5.44	-45.03
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1C	REAL300007602681	0	56	-1.0	-55.14	448.60	9.56	-45.58
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1F	REAL300007602682	0	43	-1.0	-43.86	371.00	2.83	-41.03
O=C([O-])CN(C1CC1)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007602683	0	37	-1.0	-43.24	325.23	6.92	-36.32
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007602684	0	34	-1.0	-51.33	301.14	5.25	-46.08
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007602685	0	32	-1.0	-58.63	306.30	6.30	-52.33
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC=CC=C1Br	REAL300007602686	0	32	-1.0	-44.88	298.88	6.15	-38.73
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007602687	0	36	-1.0	-71.68	325.89	2.81	-68.87
CC1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602688	0	32	-1.0	-41.38	296.11	6.04	-35.34
CC1=C(Br)C=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602689	0	32	-1.0	-41.85	283.39	5.74	-36.11
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CC=C1Br	REAL300007602690	0	33	-1.0	-42.71	309.84	4.88	-37.83
COC1=CC(OC)=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1Cl	REAL300007602691	0	37	-1.0	-48.30	328.81	4.64	-43.66
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007602692	0	32	-1.0	-58.53	305.26	4.01	-54.52
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007602693	0	32	-1.0	-57.69	299.21	3.83	-53.86
CC1(C)CC2=CC(S(=O)(=O)N(CC(=O)[O-])C3CC3)=CC=C2O1	REAL300007602694	0	40	-1.0	-54.17	338.74	6.20	-47.97
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007602695	0	32	-1.0	-59.69	297.63	4.04	-55.65
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602696	0	40	-1.0	-69.00	343.13	3.91	-65.09
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1I	REAL300007602697	0	32	-1.0	-52.44	306.63	6.58	-45.86
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602698	0	41	-1.0	-46.94	363.60	4.13	-42.81
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602699	0	46	-1.0	-56.60	396.68	4.62	-51.98
CSC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602700	0	33	-1.0	-58.65	289.63	5.55	-53.10
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602701	0	46	-1.0	-56.09	402.84	3.42	-52.67
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1F	REAL300007602702	0	37	-1.0	-45.45	338.89	1.68	-43.77
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)S1	REAL300007602703	0	43	-1.0	-61.50	396.57	2.58	-58.92
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C(OC)=C1	REAL300007602704	0	44	-1.0	-61.95	378.56	2.45	-59.50
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C(F)=C1	REAL300007602705	0	43	-1.0	-59.58	381.73	3.14	-56.44
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602706	0	43	-1.0	-49.25	379.07	2.69	-46.56
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602707	0	40	-1.0	-76.30	346.88	5.01	-71.29
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1F	REAL300007602708	0	43	-1.0	-44.44	381.84	3.35	-41.09
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007602709	0	44	-1.0	-68.61	364.93	5.95	-62.66
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1F	REAL300007602710	0	40	-1.0	-44.58	360.34	2.57	-42.01
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007602711	0	44	-1.0	-49.81	373.66	5.34	-44.47
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007602712	0	41	-1.0	-62.58	352.24	4.59	-57.99
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602713	0	38	-1.0	-47.31	342.11	3.33	-43.98
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602714	0	39	-1.0	-59.70	344.03	2.30	-57.40
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1Br	REAL300007602715	0	36	-1.0	-42.31	331.70	5.81	-36.50
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1C1=CC=CC=C1	REAL300007602716	0	43	-1.0	-51.54	368.07	7.95	-43.59
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007602717	0	33	-1.0	-46.39	309.81	5.56	-40.83
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007602718	0	35	-1.0	-43.48	340.39	3.04	-40.44
COC1=CC=C(Br)C(CS(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602719	0	36	-1.0	-58.48	331.19	5.54	-52.94
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=C2S1	REAL300007602720	0	43	-1.0	-53.28	374.30	6.89	-46.39
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602721	0	36	-1.0	-40.19	306.98	6.12	-34.07
CC(C)N1N=CC2=CC(S(=O)(=O)N(CC(=O)[O-])C3CC3)=CC=C21	REAL300007602722	0	41	-1.0	-55.06	352.01	6.48	-48.58
CCS(=O)(=O)NCCS(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602723	0	36	-1.0	-61.81	325.10	-0.29	-62.10
CC1=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)OC2=CC=C(F)C=C12	REAL300007602724	0	35	-1.0	-46.63	312.81	6.58	-40.05
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007602725	0	32	-1.0	-52.80	316.92	6.88	-45.92
CC1=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C2=CC(Cl)=CC=C2S1	REAL300007602726	0	35	-1.0	-47.30	322.54	7.70	-39.60
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007602727	0	32	-1.0	-52.88	309.86	6.56	-46.32
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007602728	0	35	-1.0	-47.93	303.86	7.23	-40.70
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007602729	0	35	-1.0	-44.72	320.89	6.69	-38.03
O=C([O-])CN(C1CC1)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007602730	0	40	-1.0	-58.38	342.42	6.31	-52.07
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007602731	0	43	-1.0	-46.34	368.47	8.28	-38.06
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602732	0	42	-1.0	-51.51	366.45	6.43	-45.08
O=C([O-])CN(C1CC1)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007602733	0	40	-1.0	-61.55	361.25	2.02	-59.53
CC1=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C2=CC=CC(C)=C2S1	REAL300007602734	0	38	-1.0	-48.76	326.03	7.81	-40.95
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1N(C)C	REAL300007602735	0	40	-1.0	-46.78	334.52	5.55	-41.23
O=C([O-])CN(C1CC1)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007602736	0	35	-1.0	-57.94	322.65	6.91	-51.03
O=C([O-])CN(C1CC1)S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007602737	0	34	-1.0	-44.46	279.46	2.16	-42.30
O=C([O-])CN(C1CC1)S(=O)(=O)CCOCC1CCCC1	REAL300007602738	0	42	-1.0	-54.24	345.99	5.43	-48.81
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1Cl	REAL300007602739	0	36	-1.0	-43.74	313.74	5.21	-38.53
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602740	0	38	-1.0	-53.35	336.21	2.98	-50.37
CSC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1Cl	REAL300007602741	0	33	-1.0	-42.14	315.14	6.37	-35.77
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602742	0	41	-1.0	-55.43	326.46	4.96	-50.47
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007602743	0	37	-1.0	-52.62	332.44	3.51	-49.11
CCC1=NOC2=NC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=C12	REAL300007602744	0	36	-1.0	-50.09	322.53	2.65	-47.44
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007602745	0	40	-1.0	-52.37	357.85	4.77	-47.60
CN1N=CC2=CC(S(=O)(=O)N(CC(=O)[O-])C3CC3)=CN=C21	REAL300007602746	0	34	-1.0	-54.20	305.64	4.08	-50.12
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007602747	0	35	-1.0	-44.95	327.10	7.78	-37.17
CCC1=CC(CC)=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C(CC)=C1	REAL300007602748	0	47	-1.0	-42.82	346.52	8.77	-34.05
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602749	1	44	-1.0	-66.55	373.96	2.01	-64.54
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007602750	0	35	-1.0	-50.85	329.90	3.03	-47.82
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007602751	0	38	-1.0	-66.11	327.12	8.72	-57.39
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C(C)=C1F	REAL300007602752	0	36	-1.0	-44.33	299.93	4.58	-39.75
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007602753	0	38	-1.0	-55.99	322.98	6.37	-49.62
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007602755	0	37	-1.0	-51.84	330.72	6.23	-45.61
COCC1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602756	0	36	-1.0	-52.95	333.10	5.17	-47.78
CC1=CC=C(CS(=O)(=O)N(CC(=O)[O-])C2CC2)C(F)=C1	REAL300007602757	0	35	-1.0	-45.60	308.84	6.29	-39.31
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007602759	0	29	-1.0	-41.03	286.32	4.98	-36.05
O=C([O-])CN(C1CC1)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007602760	0	42	-1.0	-58.55	350.01	8.26	-50.29
CC(C)(C)C1=CC(CS(=O)(=O)N(CC(=O)[O-])C2CC2)=NO1	REAL300007602761	0	40	-1.0	-44.26	340.26	5.61	-38.65
O=C([O-])CN(C1CC1)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007602762	0	38	-1.0	-49.72	313.09	1.93	-47.79
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007602763	0	32	-1.0	-44.90	296.25	5.38	-39.52
CC1=C(CCS(=O)(=O)N(CC(=O)[O-])C2CC2)SC=N1	REAL300007602764	0	34	-1.0	-43.21	300.99	3.98	-39.23
COC1=CC=C2C=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)CCC2=C1	REAL300007602765	0	41	-1.0	-46.99	338.66	6.48	-40.51
O=C([O-])CN(C1CC1)S(=O)(=O)CC12CCC(CC1)CC2	REAL300007602766	0	42	-1.0	-43.47	315.79	6.88	-36.59
CC(C)(CCS(=O)(=O)N(CC(=O)[O-])C1CC1)S(C)(=O)=O	REAL300007602767	0	40	-1.0	-65.01	334.49	2.07	-62.94
O=C([O-])CN(C1CC1)S(=O)(=O)CC1CCCCC1(F)F	REAL300007602768	0	38	-1.0	-54.63	313.49	6.16	-48.47
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=C12	REAL300007602769	0	44	-1.0	-56.19	384.67	8.22	-47.97
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=C12	REAL300007602770	0	48	-1.0	-53.86	402.80	5.72	-48.14
CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007602771	0	37	-1.0	-51.65	322.35	6.74	-44.91
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007602772	0	29	-1.0	-41.12	274.70	5.38	-35.74
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007602773	0	31	-1.0	-41.03	288.14	5.58	-35.45
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007602774	0	35	-1.0	-48.03	305.86	7.18	-40.85
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007602775	0	31	-1.0	-40.38	288.14	5.58	-34.80
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602776	0	34	-1.0	-44.90	295.08	5.98	-38.92
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007602777	0	31	-1.0	-72.07	280.97	6.75	-65.32
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602778	0	36	-1.0	-46.59	325.61	6.29	-40.30
CC1=CC(C)=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1C	REAL300007602779	0	41	-1.0	-45.64	310.88	7.19	-38.45
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602780	0	44	-1.0	-44.67	344.58	7.69	-36.98
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007602781	0	32	-1.0	-40.84	298.98	5.92	-34.92
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007602782	0	32	-1.0	-61.32	289.08	6.43	-54.89
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007602783	0	35	-1.0	-42.25	315.42	5.64	-36.61
CC(C)(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602784	0	41	-1.0	-45.50	336.13	7.23	-38.27
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602785	0	46	-1.0	-45.45	396.69	4.63	-40.82
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602786	0	40	-1.0	-49.73	355.53	2.91	-46.82
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1Br	REAL300007602787	0	33	-1.0	-42.44	309.84	4.88	-37.56
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007602788	0	35	-1.0	-48.92	339.09	6.96	-41.96
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CC=C1Br	REAL300007602789	0	32	-1.0	-42.60	299.43	6.09	-36.51
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=C2)=C1	REAL300007602790	0	43	-1.0	-46.76	370.03	8.41	-38.35
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007602791	0	33	-1.0	-41.66	299.39	4.55	-37.11
CC1=C(C)C(C)=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C(C)=C1C	REAL300007602792	0	44	-1.0	-46.95	323.97	7.63	-39.32
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007602793	0	38	-1.0	-46.76	322.75	4.86	-41.90
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602794	0	45	-1.0	-49.49	359.51	7.09	-42.40
CN1C=C(Br)C2=CC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=C21	REAL300007602795	0	36	-1.0	-54.86	336.72	7.33	-47.53
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007602796	0	34	-1.0	-41.10	304.12	6.10	-35.00
COC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602797	0	33	-1.0	-46.63	304.64	5.40	-41.23
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602798	0	47	-1.0	-53.41	358.84	8.57	-44.84
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007602799	0	32	-1.0	-41.34	298.64	5.91	-35.43
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007602800	0	39	-1.0	-47.41	322.65	7.39	-40.02
COC1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602801	0	37	-1.0	-50.66	312.80	4.07	-46.59
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1OC	REAL300007602802	0	37	-1.0	-48.16	318.64	4.10	-44.06
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007602803	0	37	-1.0	-46.06	309.17	7.17	-38.89
CC(C)CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602804	0	44	-1.0	-44.84	363.38	8.42	-36.42
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1OCC	REAL300007602805	0	43	-1.0	-45.86	362.36	5.96	-39.90
NS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602806	0	34	-1.0	-46.50	314.18	-0.14	-46.64
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CC([N+](=O)[O-])=C1C	REAL300007602807	0	37	-1.0	-52.43	325.69	6.78	-45.65
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1C	REAL300007602808	0	37	-1.0	-57.90	312.00	6.42	-51.48
CC1=CC2=CC=CC(S(=O)(=O)N(CC(=O)[O-])C3CC3)=C2N=C1	REAL300007602809	0	37	-1.0	-52.80	316.43	6.59	-46.21
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C([N+](=O)[O-])=C1	REAL300007602810	0	35	-1.0	-67.62	310.40	6.06	-61.56
COC1=CC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602811	0	33	-1.0	-55.11	300.50	5.34	-49.77
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602812	0	34	-1.0	-45.86	314.12	-0.13	-45.99
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007602813	0	41	-1.0	-47.81	368.94	2.76	-45.05
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602814	0	37	-1.0	-57.81	330.44	6.46	-51.35
O=C([O-])CN(C1CC1)S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007602815	0	38	-1.0	-43.13	313.00	5.99	-37.14
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C2=CC=CN=C12	REAL300007602816	0	37	-1.0	-46.57	302.32	5.67	-40.90
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1C	REAL300007602817	0	37	-1.0	-49.55	311.61	7.46	-42.09
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602818	0	40	-1.0	-55.90	355.43	2.90	-53.00
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007602819	0	41	-1.0	-60.08	346.21	4.24	-55.84
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602820	0	35	-1.0	-48.30	320.64	2.43	-45.87
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007602821	0	39	-1.0	-47.89	315.26	8.22	-39.67
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007602822	0	35	-1.0	-47.91	287.15	6.72	-41.19
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007602823	0	39	-1.0	-47.13	334.11	8.31	-38.82
CN(C)C1=CC=CC2=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=CC=C12	REAL300007602824	0	43	-1.0	-46.96	340.64	6.58	-40.38
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007602825	0	30	-1.0	-61.57	282.14	3.41	-58.16
COC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602826	0	33	-1.0	-46.66	300.06	5.29	-41.37
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602827	0	44	-1.0	-45.08	343.84	7.55	-37.53
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1Cl	REAL300007602828	0	32	-1.0	-52.34	296.75	6.05	-46.29
CC(C)OC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602829	0	39	-1.0	-45.24	322.67	5.61	-39.63
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007602830	0	32	-1.0	-58.67	301.74	6.19	-52.48
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007602831	0	34	-1.0	-62.97	320.02	7.78	-55.19
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007602832	0	34	-1.0	-50.72	279.18	5.71	-45.01
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007602833	0	40	-1.0	-48.93	365.41	8.29	-40.64
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602834	0	35	-1.0	-52.91	311.99	5.49	-47.42
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1F	REAL300007602835	0	33	-1.0	-42.56	295.64	4.27	-38.29
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007602836	0	40	-1.0	-44.16	367.06	8.33	-35.83
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=C2)C=C1	REAL300007602837	0	44	-1.0	-45.72	378.12	7.04	-38.68
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C(C(C)C)=C1	REAL300007602838	0	56	-1.0	-42.97	403.49	10.45	-32.52
CC(C)OC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007602839	0	45	-1.0	-56.44	364.31	7.76	-48.68
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007602840	0	32	-1.0	-56.70	316.93	6.65	-50.05
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007602841	0	39	-1.0	-57.15	324.11	6.19	-50.96
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1C1(C)NC(=O)NC1=O	REAL300007602842	0	45	-1.0	-47.81	379.72	2.54	-45.27
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602843	0	34	-1.0	-49.28	296.24	6.00	-43.28
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602844	0	34	-1.0	-40.54	293.65	6.08	-34.46
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602845	0	37	-1.0	-37.95	310.32	6.69	-31.26
CC(C)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602846	0	41	-1.0	-45.09	341.07	7.59	-37.50
COCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602847	0	39	-1.0	-45.18	336.49	5.42	-39.76
COCCN(CCOC)S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602848	0	41	-1.0	-52.76	338.63	2.24	-50.52
CC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602849	0	32	-1.0	-42.81	283.59	5.83	-36.98
COC1=C(C)C=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1C	REAL300007602850	0	39	-1.0	-53.85	332.58	5.74	-48.11
CC(C)CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602851	0	45	-1.0	-45.09	371.83	7.23	-37.86
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007602852	0	43	-1.0	-45.40	354.57	7.13	-38.27
CC(C)COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602853	0	42	-1.0	-43.55	346.35	6.48	-37.07
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602854	0	39	-1.0	-45.40	332.76	5.92	-39.48
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1Cl	REAL300007602855	0	33	-1.0	-42.43	305.46	4.77	-37.66
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007602856	0	33	-1.0	-44.83	315.21	5.04	-39.79
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CC=C1OC(C)C	REAL300007602857	0	42	-1.0	-45.29	349.27	6.49	-38.80
COCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602858	0	40	-1.0	-47.87	344.88	4.40	-43.47
CC1=CC(Br)=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602859	0	32	-1.0	-50.80	289.32	5.95	-44.85
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1C	REAL300007602860	0	37	-1.0	-44.88	297.92	7.15	-37.73
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602861	0	38	-1.0	-55.70	327.56	2.83	-52.87
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007602862	0	41	-1.0	-49.52	368.90	2.76	-46.76
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602863	0	37	-1.0	-50.02	336.53	1.08	-48.94
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602864	0	37	-1.0	-61.36	320.02	2.96	-58.40
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007602865	0	32	-1.0	-45.54	289.72	6.08	-39.46
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CC=C1F	REAL300007602866	0	33	-1.0	-42.76	295.63	4.28	-38.48
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007602867	0	39	-1.0	-46.53	334.12	8.31	-38.22
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007602868	0	32	-1.0	-39.82	308.98	6.48	-33.34
CC1=NC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)S2)=CS1	REAL300007602869	0	35	-1.0	-46.18	333.20	5.35	-40.83
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007602870	0	49	-1.0	-44.07	394.51	8.52	-35.55
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602871	0	37	-1.0	-65.52	316.85	6.67	-58.85
CNC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CN1C	REAL300007602872	0	37	-1.0	-47.14	324.11	2.54	-44.60
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C(C)=C1	REAL300007602873	0	39	-1.0	-53.73	313.15	5.58	-48.15
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007602874	0	40	-1.0	-55.31	345.51	9.06	-46.25
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1C	REAL300007602875	0	39	-1.0	-45.22	311.43	5.13	-40.09
CC1=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C2=CC=CN=C2C=C1	REAL300007602876	0	37	-1.0	-47.98	301.09	5.93	-42.05
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007602877	0	34	-1.0	-57.57	291.01	5.06	-52.51
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N(CC(=O)[O-])C1CC1)=C2	REAL300007602878	0	42	-1.0	-59.32	361.10	8.78	-50.54
CCN1C=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300007602879	0	34	-1.0	-54.75	305.49	5.38	-49.37
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007602880	0	36	-1.0	-42.51	324.32	5.45	-37.06
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007602881	0	43	-1.0	-46.82	371.16	8.18	-38.64
CCC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602882	0	37	-1.0	-47.93	323.00	6.17	-41.76
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007602883	0	39	-1.0	-54.17	347.27	6.52	-47.65
CC(C)CCN(CCC(C)C)S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602884	0	51	-1.0	-54.90	398.89	7.89	-47.01
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602885	0	37	-1.0	-48.24	333.51	1.61	-46.63
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007602886	0	44	-1.0	-56.94	381.85	4.03	-52.91
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007602887	0	42	-1.0	-47.61	337.37	7.00	-40.61
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602888	0	39	-1.0	-48.76	325.73	6.33	-42.43
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007602889	0	34	-1.0	-48.18	308.21	5.09	-43.09
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007602890	0	36	-1.0	-55.63	321.85	6.06	-49.57
CCOCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602891	0	43	-1.0	-47.87	366.74	5.36	-42.51
CCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602892	0	45	-1.0	-45.20	375.76	7.49	-37.71
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007602893	0	39	-1.0	-56.26	306.89	7.02	-49.24
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007602894	0	35	-1.0	-49.85	306.75	6.68	-43.17
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007602895	0	33	-1.0	-42.58	309.78	6.23	-36.35
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007602896	0	37	-1.0	-52.88	322.01	6.12	-46.76
O=C([O-])CN(C1CC1)S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007602897	0	35	-1.0	-63.76	298.54	1.15	-62.61
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007602898	0	34	-1.0	-49.78	308.17	5.08	-44.70
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C(C)=C1	REAL300007602899	0	39	-1.0	-54.25	318.69	5.46	-48.79
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602900	0	37	-1.0	-45.85	336.55	1.08	-44.77
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007602901	0	33	-1.0	-56.36	293.53	5.09	-51.27
CSC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602902	0	33	-1.0	-43.35	293.60	5.79	-37.56
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007602903	0	35	-1.0	-44.30	314.24	6.46	-37.84
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602904	0	40	-1.0	-56.18	332.96	6.85	-49.33
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007602905	0	35	-1.0	-49.00	298.03	4.56	-44.44
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300007602906	0	34	-1.0	-55.79	290.92	4.95	-50.84
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007602907	0	41	-1.0	-47.08	348.44	6.75	-40.33
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300007602908	0	35	-1.0	-41.36	314.35	6.43	-34.93
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007602909	0	35	-1.0	-54.71	334.51	5.66	-49.05
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007602910	0	38	-1.0	-50.83	324.75	6.50	-44.33
CC1=NN(C)C2=NC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=C12	REAL300007602911	0	37	-1.0	-52.23	327.61	4.67	-47.56
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602912	0	36	-1.0	-46.96	327.03	5.47	-41.49
CC1(C)CC2=CC=CC(S(=O)(=O)N(CC(=O)[O-])C3CC3)=C2O1	REAL300007602913	0	40	-1.0	-62.35	335.02	6.29	-56.06
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007602914	0	32	-1.0	-45.01	295.62	6.04	-38.97
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007602915	0	41	-1.0	-62.51	349.99	3.27	-59.24
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007602916	0	36	-1.0	-40.38	321.51	5.26	-35.12
COC1=CC(OC)=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1Br	REAL300007602917	0	37	-1.0	-48.36	333.19	4.75	-43.61
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007602918	0	42	-1.0	-46.20	382.23	6.94	-39.26
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007602919	0	37	-1.0	-49.08	316.54	5.32	-43.76
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007602920	0	32	-1.0	-57.47	312.05	6.57	-50.90
CC1CC2=CC(S(=O)(=O)N(CC(=O)[O-])C3CC3)=CC=C2O1	REAL300007602921	0	37	-1.0	-53.77	318.35	5.56	-48.21
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602922	0	41	-1.0	-54.81	312.57	7.56	-47.25
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602923	0	41	-1.0	-53.76	339.94	3.49	-50.27
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007602924	0	40	-1.0	-44.48	358.81	8.12	-36.36
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007602925	0	35	-1.0	-56.01	328.11	5.60	-50.41
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007602926	0	35	-1.0	-54.44	344.83	6.12	-48.32
CC1=NC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=C2)=CO1	REAL300007602927	0	38	-1.0	-52.52	336.30	3.96	-48.56
CN1C=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300007602928	0	32	-1.0	-57.71	290.82	3.37	-54.34
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007602929	0	37	-1.0	-45.92	313.61	5.54	-40.38
CC1=CC=C(N2C=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=N2)C=C1	REAL300007602930	0	39	-1.0	-55.28	343.25	6.73	-48.55
CC1CC2=CC(S(=O)(=O)N(CC(=O)[O-])C3CC3)=CC(Cl)=C2O1	REAL300007602931	0	37	-1.0	-47.60	333.69	6.03	-41.57
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300007602932	0	34	-1.0	-41.99	304.14	6.09	-35.90
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=N1	REAL300007602933	0	40	-1.0	-57.02	349.03	5.70	-51.32
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007602934	0	31	-1.0	-53.60	293.29	4.44	-49.16
CC1=CC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=C2C=C1	REAL300007602935	0	38	-1.0	-48.27	327.19	7.83	-40.44
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007602936	0	34	-1.0	-63.76	303.21	4.80	-58.96
O=C([O-])CN(C1CC1)S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007602937	0	35	-1.0	-41.62	313.74	6.77	-34.85
CN1CCCC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=C21	REAL300007602938	0	41	-1.0	-50.26	334.14	5.44	-44.82
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007602939	0	31	-1.0	-49.11	296.77	4.25	-44.86
COC1=CC=CC(OC)=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602940	0	37	-1.0	-50.83	307.39	5.24	-45.59
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602941	0	37	-1.0	-50.46	310.81	6.38	-44.08
CC1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1[N+](=O)[O-]	REAL300007602942	0	37	-1.0	-45.76	308.20	7.70	-38.06
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007602943	0	37	-1.0	-46.69	312.54	6.54	-40.15
COC1=CC=C(CCS(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602944	0	39	-1.0	-43.67	326.51	5.55	-38.12
CC(C)(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)S1	REAL300007602945	0	38	-1.0	-45.16	326.75	6.44	-38.72
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CC(OC)=C1	REAL300007602946	0	37	-1.0	-56.19	320.27	3.55	-52.64
CC1=CC2=C(C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1)OCO2	REAL300007602947	0	35	-1.0	-55.57	293.37	3.89	-51.68
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CC=C1Cl	REAL300007602948	0	33	-1.0	-42.57	305.44	4.77	-37.80
CN1C=NC2=CC(S(=O)(=O)N(CC(=O)[O-])C3CC3)=CC=C21	REAL300007602949	0	35	-1.0	-59.64	309.56	6.29	-53.35
CC1=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300007602950	0	37	-1.0	-51.43	306.63	6.41	-45.02
CC1=NC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=C2O1	REAL300007602951	0	34	-1.0	-54.95	304.94	2.61	-52.34
CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1CC	REAL300007602952	0	41	-1.0	-46.91	336.93	7.48	-39.43
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602953	0	37	-1.0	-40.29	304.35	6.76	-33.53
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602954	0	39	-1.0	-58.65	320.52	6.54	-52.11
NC1=NC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602955	0	30	-1.0	-39.07	270.61	2.64	-36.43
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007602956	0	35	-1.0	-67.66	309.63	6.26	-61.40
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CC(C)=C1F	REAL300007602957	0	35	-1.0	-51.33	308.32	6.28	-45.05
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007602958	0	36	-1.0	-46.91	315.93	4.66	-42.25
O=C([O-])CN(C1CC1)S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007602959	0	42	-1.0	-60.35	362.03	6.52	-53.83
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007602960	0	33	-1.0	-50.04	290.11	4.77	-45.27
O=C([O-])CN(C1CC1)S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007602961	0	31	-1.0	-62.90	288.16	4.70	-58.20
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007602962	0	32	-1.0	-57.20	301.74	6.20	-51.00
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CC=C1Cl	REAL300007602963	0	32	-1.0	-42.53	295.39	6.01	-36.52
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007602964	0	35	-1.0	-63.96	309.39	5.93	-58.03
CC1=CSC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])C3CC3)C=C2)=N1	REAL300007602965	0	38	-1.0	-45.41	346.15	6.38	-39.03
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007602966	0	37	-1.0	-49.28	306.85	6.18	-43.10
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007602967	0	36	-1.0	-61.99	326.40	2.81	-59.18
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007602968	0	38	-1.0	-49.70	316.77	5.28	-44.42
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007602969	0	32	-1.0	-56.72	304.88	6.20	-50.52
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602970	0	54	-1.0	-45.16	440.25	9.83	-35.33
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602971	0	39	-1.0	-46.14	347.11	7.09	-39.05
CCC(C)OC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C1	REAL300007602972	0	42	-1.0	-44.75	349.95	6.58	-38.17
COC(CS(=O)(=O)N(CC(=O)[O-])C1CC1)C1CCCC1	REAL300007602973	0	42	-1.0	-42.72	325.68	4.87	-37.85
COC(CS(=O)(=O)N(CC(=O)[O-])C1CC1)C1CCCCC1	REAL300007602974	0	45	-1.0	-57.37	352.95	5.97	-51.40
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007602975	0	43	-1.0	-49.36	377.40	8.25	-41.11
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300007602976	0	48	-1.0	-44.96	391.38	7.95	-37.01
CCC1=NC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CN1CC1CC1	REAL300007602977	0	42	-1.0	-59.74	360.15	6.90	-52.84
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007602978	0	32	-1.0	-43.27	293.63	4.30	-38.97
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C(C)=C1[N+](=O)[O-]	REAL300007602979	0	37	-1.0	-43.59	319.17	7.05	-36.54
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007602980	0	42	-1.0	-51.32	361.63	7.12	-44.20
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602981	0	32	-1.0	-46.06	301.55	3.59	-42.47
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007602982	0	40	-1.0	-45.28	360.53	9.01	-36.27
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007602983	0	39	-1.0	-59.34	320.90	7.96	-51.38
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=CC(C)=C1OCC1=CC=CC=C1	REAL300007602984	0	49	-1.0	-54.14	414.34	9.73	-44.41
CCC1=CC(S(=O)(=O)N(CC(=O)[O-])C2CC2)=C(C)C=C1OC	REAL300007602985	0	42	-1.0	-45.66	336.64	6.03	-39.63
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007602986	0	35	-1.0	-41.12	331.13	6.79	-34.33
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N(CC(=O)[O-])C2CC2)=N1	REAL300007602987	0	31	-1.0	-52.68	286.11	3.93	-48.75
CC1=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C2=CC=CC=C2C=C1	REAL300007602988	0	38	-1.0	-47.54	308.47	7.91	-39.63
CC(C)OC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=N1	REAL300007602989	0	38	-1.0	-52.01	330.46	3.49	-48.52
COC1=C(F)C=CC=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602990	0	33	-1.0	-55.13	286.24	4.83	-50.30
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300007602991	0	45	-1.0	-45.19	369.89	7.15	-38.04
CC(C)(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1F	REAL300007602992	0	41	-1.0	-51.52	339.50	7.19	-44.33
O=C([O-])CN(C1CC1)S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007602993	0	48	-1.0	-43.48	377.37	9.28	-34.20
CN1N=C2CCCCC2=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602994	0	39	-1.0	-51.29	317.66	5.00	-46.29
CN1C=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C(C(C)(C)C)=N1	REAL300007602995	0	41	-1.0	-58.10	330.80	5.28	-52.82
O=C([O-])CN(C1CC1)S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007602996	0	39	-1.0	-47.96	321.25	5.12	-42.84
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602997	0	32	-1.0	-47.55	288.54	3.64	-43.91
COC1=CC=C(F)C=C1CS(=O)(=O)N(CC(=O)[O-])C1CC1	REAL300007602998	0	36	-1.0	-47.51	316.70	5.02	-42.49
C=CCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1	REAL300007602999	0	39	-1.0	-45.08	337.12	7.69	-37.39
CCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300007603000	0	51	-1.0	-46.30	412.88	8.74	-37.56
COC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605066	0	35	-1.0	-58.03	292.39	4.59	-53.44
CC1=C(Br)C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007605067	0	36	-1.0	-50.51	329.83	6.46	-44.05
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605068	0	42	-1.0	-59.25	338.64	5.08	-54.17
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C	REAL300007605069	0	42	-1.0	-48.77	354.38	1.75	-47.02
CC(C)N(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007605070	0	49	-1.0	-42.07	349.64	6.31	-35.76
CC1=NC2=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300007605071	0	39	-1.0	-62.88	319.02	6.37	-56.51
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007605072	0	39	-1.0	-66.21	330.04	6.54	-59.67
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007605073	0	42	-1.0	-54.35	342.24	3.20	-51.15
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605074	0	45	-1.0	-59.46	377.95	5.78	-53.68
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605075	0	45	-1.0	-60.41	370.49	5.80	-54.61
COCCOCCOCCS(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605076	0	45	-1.0	-58.42	373.60	1.97	-56.45
CC(COC1CCCC1)CS(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605077	0	47	-1.0	-40.44	362.32	5.99	-34.45
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007605078	0	46	-1.0	-60.19	379.41	6.06	-54.13
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605079	0	38	-1.0	-51.46	333.31	4.95	-46.51
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007605080	0	39	-1.0	-52.43	323.12	2.42	-50.01
COC1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605081	0	35	-1.0	-52.13	315.87	4.58	-47.55
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007605082	0	35	-1.0	-54.85	301.96	4.85	-50.00
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300007605083	0	37	-1.0	-42.34	318.57	5.40	-36.94
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605084	0	37	-1.0	-50.51	311.86	6.11	-44.40
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605085	0	37	-1.0	-40.26	308.06	6.06	-34.20
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300007605086	0	37	-1.0	-40.90	317.47	6.17	-34.73
CC(C)N(CC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300007605087	0	43	-1.0	-58.15	338.80	1.62	-56.53
CCOC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605088	0	38	-1.0	-56.87	316.42	4.88	-51.99
COCCN1C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=N1	REAL300007605089	0	38	-1.0	-54.71	324.83	2.27	-52.44
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007605090	0	38	-1.0	-45.94	327.41	5.20	-40.74
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1C	REAL300007605091	0	58	-1.0	-54.69	452.41	9.27	-45.42
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1	REAL300007605092	0	45	-1.0	-43.02	383.55	3.09	-39.93
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007605093	0	39	-1.0	-43.02	334.98	6.80	-36.22
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007605094	0	36	-1.0	-45.74	304.20	5.01	-40.73
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007605095	0	34	-1.0	-41.44	306.56	5.97	-35.47
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007605096	0	34	-1.0	-56.58	305.66	5.94	-50.64
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007605097	0	38	-1.0	-66.20	329.70	2.52	-63.68
CC1=CC(Br)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605098	0	34	-1.0	-52.88	307.80	5.93	-46.95
CC1=C(Br)C=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605099	0	34	-1.0	-40.13	287.08	5.55	-34.58
COCC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605100	0	38	-1.0	-55.41	312.81	4.74	-50.67
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1Br	REAL300007605101	0	35	-1.0	-41.79	312.97	4.63	-37.16
COC1=CC(OC)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300007605102	0	39	-1.0	-47.29	330.02	4.41	-42.88
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007605103	0	34	-1.0	-54.52	309.03	3.73	-50.79
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007605104	0	34	-1.0	-54.26	303.00	3.56	-50.70
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007605105	0	42	-1.0	-53.46	342.52	5.91	-47.55
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007605106	0	34	-1.0	-49.99	293.53	4.01	-45.98
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605107	0	42	-1.0	-67.15	344.11	3.35	-63.80
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1I	REAL300007605108	0	34	-1.0	-41.27	308.40	6.30	-34.97
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605109	0	43	-1.0	-51.54	366.69	3.88	-47.66
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605110	0	48	-1.0	-46.45	399.80	4.37	-42.08
CSC1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605111	0	35	-1.0	-45.83	288.15	5.27	-40.56
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605112	0	48	-1.0	-49.28	405.95	3.18	-46.10
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007605113	0	39	-1.0	-44.46	341.99	1.43	-43.03
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S1	REAL300007605114	0	45	-1.0	-61.03	400.40	2.28	-58.75
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(OC)=C1	REAL300007605115	0	46	-1.0	-61.27	382.37	2.17	-59.10
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(F)=C1	REAL300007605116	0	45	-1.0	-62.42	381.85	2.96	-59.46
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605117	0	45	-1.0	-48.31	382.17	2.46	-45.85
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007605118	0	42	-1.0	-75.77	347.50	4.47	-71.30
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1F	REAL300007605119	0	45	-1.0	-43.54	384.95	3.11	-40.43
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007605120	0	46	-1.0	-69.40	370.70	5.55	-63.85
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1F	REAL300007605121	0	42	-1.0	-43.59	363.45	2.32	-41.27
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007605122	0	46	-1.0	-53.23	378.82	5.09	-48.14
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007605123	0	43	-1.0	-61.35	356.95	4.41	-56.94
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605124	0	40	-1.0	-61.83	347.24	3.07	-58.76
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605125	0	41	-1.0	-66.16	346.70	2.04	-64.12
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Br	REAL300007605126	0	38	-1.0	-45.66	334.82	5.55	-40.11
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300007605127	0	45	-1.0	-45.63	371.23	7.73	-37.90
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007605128	0	35	-1.0	-54.47	312.29	5.31	-49.16
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007605129	0	37	-1.0	-42.95	343.49	2.79	-40.16
COC1=CC=C(Br)C(CS(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605130	0	38	-1.0	-58.06	335.07	5.23	-52.83
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007605131	0	45	-1.0	-46.41	376.06	6.62	-39.79
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605132	0	38	-1.0	-46.42	323.99	5.72	-40.70
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300007605133	0	43	-1.0	-54.57	355.80	6.19	-48.38
CCS(=O)(=O)NCCS(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605134	0	38	-1.0	-49.57	325.35	-0.62	-50.19
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300007605135	0	37	-1.0	-43.82	314.60	5.93	-37.89
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007605136	0	34	-1.0	-52.24	320.71	6.60	-45.64
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300007605137	0	37	-1.0	-56.33	327.65	7.44	-48.89
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007605138	0	34	-1.0	-42.13	308.68	6.24	-35.89
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007605139	0	37	-1.0	-45.54	311.14	7.01	-38.53
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007605140	0	37	-1.0	-43.71	324.05	6.46	-37.25
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007605141	0	42	-1.0	-57.80	346.27	5.98	-51.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007605142	0	45	-1.0	-45.24	370.28	8.08	-37.16
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007605143	0	44	-1.0	-50.27	370.46	6.22	-44.05
CC(C)N(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007605144	0	42	-1.0	-47.61	361.52	1.69	-45.92
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300007605145	0	40	-1.0	-53.05	330.54	7.48	-45.57
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1N(C)C	REAL300007605146	0	42	-1.0	-45.59	337.94	5.33	-40.26
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007605147	0	37	-1.0	-57.61	326.57	6.59	-51.02
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007605148	0	36	-1.0	-58.16	299.77	1.64	-56.52
CC(C)N(CC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300007605149	0	44	-1.0	-42.78	346.25	5.09	-37.69
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300007605150	0	38	-1.0	-39.43	312.67	4.86	-34.57
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007605151	0	40	-1.0	-50.92	345.95	2.87	-48.05
CSC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300007605152	0	35	-1.0	-45.71	318.24	6.13	-39.58
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605153	0	43	-1.0	-53.21	334.88	5.05	-48.16
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007605154	0	39	-1.0	-52.28	336.24	3.22	-49.06
CCC1=NOC2=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C12	REAL300007605155	0	38	-1.0	-52.36	326.31	2.37	-49.99
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007605156	0	42	-1.0	-49.78	361.61	4.48	-45.30
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007605157	0	36	-1.0	-52.12	309.43	3.79	-48.33
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007605158	0	37	-1.0	-43.30	330.17	7.53	-35.77
CCC1=CC(CC)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(CC)=C1	REAL300007605159	0	49	-1.0	-53.76	358.01	8.81	-44.95
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605160	1	46	-1.0	-66.71	376.50	1.89	-64.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007605161	0	38	-1.0	-63.01	310.86	4.70	-58.31
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007605162	0	37	-1.0	-50.41	333.69	2.74	-47.67
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007605163	0	40	-1.0	-65.93	331.67	8.40	-57.53
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1F	REAL300007605164	0	38	-1.0	-46.31	301.26	4.34	-41.97
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007605165	0	40	-1.0	-55.50	325.93	6.04	-49.46
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007605167	0	39	-1.0	-51.42	334.52	5.95	-45.47
COCC1=CC(Cl)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605168	0	38	-1.0	-53.49	336.88	4.88	-48.61
CC1=CC=C(CS(=O)(=O)N(CC(=O)[O-])C(C)C)C(F)=C1	REAL300007605169	0	37	-1.0	-58.31	315.61	6.08	-52.23
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007605171	0	31	-1.0	-38.01	295.77	4.86	-33.15
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007605172	0	44	-1.0	-43.38	350.25	7.91	-35.47
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007605173	0	42	-1.0	-47.35	343.45	5.36	-41.99
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007605174	0	40	-1.0	-66.81	326.26	1.82	-64.99
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007605175	0	34	-1.0	-44.05	299.33	5.13	-38.92
CC1=C(CCS(=O)(=O)N(CC(=O)[O-])C(C)C)SC=N1	REAL300007605176	0	36	-1.0	-56.41	313.90	3.88	-52.53
COC1=CC=C2C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)CCC2=C1	REAL300007605177	0	43	-1.0	-45.92	341.75	6.22	-39.70
CC(C)N(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300007605178	0	44	-1.0	-42.43	318.92	6.64	-35.79
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007605179	0	42	-1.0	-59.82	334.75	1.74	-58.08
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300007605180	0	40	-1.0	-54.54	318.17	5.81	-48.73
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C12	REAL300007605181	0	46	-1.0	-53.88	388.50	7.91	-45.97
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C12	REAL300007605182	0	50	-1.0	-52.07	406.58	5.43	-46.64
CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007605183	0	39	-1.0	-50.57	325.50	6.49	-44.08
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007605184	0	31	-1.0	-50.84	286.37	5.28	-45.56
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007605185	0	33	-1.0	-40.11	291.26	5.33	-34.78
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007605186	0	37	-1.0	-47.19	308.93	6.93	-40.26
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007605187	0	33	-1.0	-57.56	293.29	5.32	-52.24
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605188	0	36	-1.0	-54.70	307.32	6.13	-48.57
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007605189	0	33	-1.0	-71.44	282.35	6.41	-65.03
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605190	0	38	-1.0	-57.10	327.34	6.01	-51.09
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605191	0	38	-1.0	-44.79	314.38	4.88	-39.91
CC1=CC(C)=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1C	REAL300007605192	0	43	-1.0	-44.13	315.39	6.93	-37.20
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605193	0	46	-1.0	-42.19	342.92	7.33	-34.86
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007605194	0	34	-1.0	-54.33	303.80	5.65	-48.68
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007605195	0	34	-1.0	-60.89	290.57	6.02	-54.87
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007605196	0	37	-1.0	-41.43	318.56	5.40	-36.03
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007605197	0	43	-1.0	-44.45	339.25	6.99	-37.46
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605198	0	48	-1.0	-48.73	399.78	4.38	-44.35
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007605199	0	42	-1.0	-55.79	361.40	2.62	-53.17
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Br	REAL300007605200	0	35	-1.0	-45.75	312.95	4.62	-41.13
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007605201	0	37	-1.0	-48.49	342.87	6.67	-41.82
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1Br	REAL300007605202	0	34	-1.0	-41.50	302.55	5.85	-35.65
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2)=C1	REAL300007605203	0	45	-1.0	-52.75	375.19	8.18	-44.57
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007605204	0	35	-1.0	-50.15	311.06	4.45	-45.70
CC1=C(C)C(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1C	REAL300007605205	0	46	-1.0	-45.41	328.73	7.38	-38.03
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007605206	0	40	-1.0	-46.04	325.84	4.59	-41.45
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605207	0	47	-1.0	-48.33	360.99	6.88	-41.45
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300007605208	0	38	-1.0	-55.86	340.52	7.04	-48.82
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007605209	0	36	-1.0	-50.69	307.26	5.85	-44.84
COC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605210	0	35	-1.0	-57.20	307.28	5.15	-52.05
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605211	0	49	-1.0	-53.40	362.65	8.27	-45.13
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007605212	0	34	-1.0	-40.33	301.79	5.66	-34.67
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007605213	0	41	-1.0	-54.75	327.79	7.14	-47.61
COC1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605214	0	39	-1.0	-60.70	315.46	3.82	-56.88
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1OC	REAL300007605215	0	39	-1.0	-47.15	321.76	3.86	-43.29
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007605216	0	39	-1.0	-44.92	312.26	6.92	-38.00
CC(C)CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605217	0	46	-1.0	-53.76	368.53	8.16	-45.60
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1OCC	REAL300007605218	0	45	-1.0	-44.94	365.48	5.71	-39.23
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007605219	0	36	-1.0	-49.12	317.27	-0.38	-49.50
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1C	REAL300007605220	0	39	-1.0	-51.87	329.48	6.50	-45.37
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1C	REAL300007605221	0	39	-1.0	-53.07	318.28	6.32	-46.75
CC1=CC2=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C2N=C1	REAL300007605222	0	39	-1.0	-51.41	317.43	6.49	-44.92
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300007605223	0	37	-1.0	-66.51	313.66	5.64	-60.87
COC1=CC(Cl)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605224	0	35	-1.0	-54.54	304.31	5.04	-49.50
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007605225	0	36	-1.0	-60.61	319.31	-0.39	-61.00
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007605226	0	43	-1.0	-43.95	370.56	2.46	-41.49
CC(C)N(CC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007605227	0	39	-1.0	-55.68	332.13	6.20	-49.48
CC(C)N(CC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007605228	0	40	-1.0	-42.79	320.91	5.99	-36.80
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300007605229	0	39	-1.0	-47.27	309.52	5.44	-41.83
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C	REAL300007605230	0	39	-1.0	-50.17	311.48	7.09	-43.08
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007605231	0	42	-1.0	-47.55	359.36	2.62	-44.93
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007605232	0	43	-1.0	-47.22	349.24	4.00	-43.22
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007605233	0	37	-1.0	-62.44	325.77	2.18	-60.26
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007605234	0	41	-1.0	-60.73	334.72	8.50	-52.23
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007605235	0	37	-1.0	-47.00	294.33	6.51	-40.49
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007605236	0	41	-1.0	-46.17	337.22	8.07	-38.10
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007605237	0	45	-1.0	-46.22	347.77	6.36	-39.86
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007605238	0	32	-1.0	-60.91	285.94	3.12	-57.79
COC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605239	0	35	-1.0	-57.39	302.72	5.04	-52.35
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605240	0	46	-1.0	-44.47	353.48	7.45	-37.02
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300007605241	0	34	-1.0	-41.23	298.51	5.77	-35.46
CC(C)OC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605242	0	41	-1.0	-53.02	334.34	5.50	-47.52
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007605243	0	34	-1.0	-41.48	301.99	5.86	-35.62
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007605244	0	36	-1.0	-61.92	322.97	7.35	-54.57
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007605245	0	36	-1.0	-51.60	296.17	5.84	-45.76
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007605246	0	42	-1.0	-47.97	368.54	8.04	-39.93
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605247	0	37	-1.0	-52.34	315.80	5.19	-47.15
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1F	REAL300007605248	0	35	-1.0	-47.37	298.75	4.03	-43.34
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007605249	0	42	-1.0	-51.96	370.48	8.02	-43.94
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2)C=C1	REAL300007605250	0	46	-1.0	-53.08	383.25	6.79	-46.29
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300007605251	0	58	-1.0	-54.09	418.65	10.43	-43.66
CC(C)OC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007605252	0	47	-1.0	-47.75	361.56	7.39	-40.36
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007605253	0	34	-1.0	-39.14	317.18	6.32	-32.82
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007605254	0	41	-1.0	-47.66	322.66	5.86	-41.80
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C1(C)NC(=O)NC1=O	REAL300007605255	0	47	-1.0	-44.96	382.60	2.34	-42.62
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605256	0	36	-1.0	-49.39	301.34	5.78	-43.61
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605257	0	36	-1.0	-40.99	291.13	5.48	-35.51
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605258	0	39	-1.0	-37.07	313.45	6.46	-30.61
CC(C)CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605259	0	43	-1.0	-44.00	344.24	7.35	-36.65
COCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605260	0	41	-1.0	-54.08	341.64	5.17	-48.91
COCCN(CCOC)S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605261	0	43	-1.0	-52.27	342.43	1.93	-50.34
CC1=CC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605262	0	34	-1.0	-40.26	285.71	5.56	-34.70
COC1=C(C)C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C	REAL300007605263	0	41	-1.0	-52.94	338.66	5.54	-47.40
CC(C)CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605264	0	47	-1.0	-43.21	374.97	6.98	-36.23
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007605265	0	45	-1.0	-44.38	357.69	6.88	-37.50
CC(C)COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605266	0	44	-1.0	-43.32	356.01	6.37	-36.95
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605267	0	41	-1.0	-43.33	335.90	5.68	-37.65
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Cl	REAL300007605268	0	35	-1.0	-45.87	308.56	4.51	-41.36
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007605269	0	35	-1.0	-53.16	320.34	4.78	-48.38
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C	REAL300007605270	0	38	-1.0	-44.25	312.61	4.69	-39.56
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300007605271	0	44	-1.0	-44.75	352.38	6.24	-38.51
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1	REAL300007605272	0	38	-1.0	-54.10	302.56	4.40	-49.70
COCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605273	0	42	-1.0	-46.85	348.01	4.15	-42.70
CC1=CC(Br)=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605274	0	34	-1.0	-50.96	294.41	5.73	-45.23
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1C	REAL300007605275	0	39	-1.0	-57.84	303.99	7.05	-50.79
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605276	0	40	-1.0	-64.63	339.82	2.98	-61.65
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007605277	0	43	-1.0	-48.55	372.05	2.51	-46.04
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605278	0	39	-1.0	-49.10	339.65	0.83	-48.27
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605279	0	39	-1.0	-59.91	323.95	2.79	-57.12
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007605280	0	34	-1.0	-44.47	291.97	5.74	-38.73
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1F	REAL300007605281	0	35	-1.0	-41.84	298.77	4.04	-37.80
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007605282	0	41	-1.0	-57.40	339.27	8.07	-49.33
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007605283	0	34	-1.0	-39.68	318.73	6.36	-33.32
CC1=NC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)S2)=CS1	REAL300007605284	0	37	-1.0	-46.57	342.65	5.22	-41.35
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007605285	0	51	-1.0	-44.61	397.60	8.27	-36.34
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605286	0	39	-1.0	-64.65	320.66	6.38	-58.27
CNC(=O)C1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CN1C	REAL300007605287	0	39	-1.0	-46.11	327.23	2.31	-43.80
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1	REAL300007605288	0	41	-1.0	-53.63	315.88	5.24	-48.39
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007605289	0	42	-1.0	-54.81	349.29	8.77	-46.04
COC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C	REAL300007605290	0	41	-1.0	-43.49	318.74	5.07	-38.42
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300007605291	0	39	-1.0	-54.23	308.00	5.73	-48.50
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007605292	0	36	-1.0	-46.21	289.51	4.73	-41.48
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007605293	0	44	-1.0	-58.85	364.90	8.49	-50.36
CCN1C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300007605294	0	36	-1.0	-65.23	315.07	5.41	-59.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007605295	0	38	-1.0	-45.07	333.95	5.34	-39.73
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007605296	0	45	-1.0	-45.88	374.29	7.93	-37.95
CCC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605297	0	39	-1.0	-64.95	328.15	5.92	-59.03
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007605298	0	41	-1.0	-53.71	351.05	6.23	-47.48
CC(C)CCN(CCC(C)C)S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605299	0	53	-1.0	-41.75	395.02	7.35	-34.40
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007605300	0	39	-1.0	-51.79	340.11	1.27	-50.52
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007605301	0	46	-1.0	-56.31	387.02	3.79	-52.52
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007605302	0	44	-1.0	-47.59	344.54	6.78	-40.81
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605303	0	41	-1.0	-58.83	327.48	6.05	-52.78
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007605304	0	36	-1.0	-68.08	313.35	4.83	-63.25
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007605305	0	38	-1.0	-55.17	325.65	5.77	-49.40
CCOCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605306	0	45	-1.0	-46.92	369.86	5.11	-41.81
CCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605307	0	47	-1.0	-43.21	378.90	7.24	-35.97
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007605308	0	41	-1.0	-58.24	320.15	7.33	-50.91
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007605309	0	37	-1.0	-57.03	313.50	6.45	-50.58
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007605310	0	35	-1.0	-50.32	321.46	6.12	-44.20
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007605311	0	39	-1.0	-63.27	328.77	5.90	-57.37
CC(C)N(CC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007605312	0	37	-1.0	-65.96	306.48	1.04	-64.92
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007605313	0	36	-1.0	-42.62	311.30	4.83	-37.79
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1	REAL300007605314	0	41	-1.0	-53.80	324.41	5.33	-48.47
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605315	0	39	-1.0	-60.73	341.68	0.82	-59.91
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007605316	0	35	-1.0	-55.64	297.34	4.79	-50.85
CSC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605317	0	35	-1.0	-53.64	305.27	5.68	-47.96
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007605318	0	37	-1.0	-41.29	324.32	6.37	-34.92
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605319	0	42	-1.0	-43.21	333.50	6.42	-36.79
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007605320	0	37	-1.0	-47.84	295.98	4.17	-43.67
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007605321	0	36	-1.0	-58.46	299.56	5.20	-53.26
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007605322	0	43	-1.0	-46.03	351.57	6.51	-39.52
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300007605323	0	37	-1.0	-40.37	317.48	6.19	-34.18
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007605324	0	37	-1.0	-56.93	337.90	5.43	-51.50
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007605325	0	40	-1.0	-53.82	329.91	6.26	-47.56
CC1=NN(C)C2=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C12	REAL300007605326	0	39	-1.0	-51.80	331.39	4.39	-47.41
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605327	0	38	-1.0	-58.98	333.78	5.26	-53.72
COCC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605328	0	38	-1.0	-56.43	320.14	4.37	-52.06
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007605329	0	42	-1.0	-61.58	338.81	6.00	-55.58
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007605330	0	34	-1.0	-56.96	302.46	5.81	-51.15
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007605331	0	43	-1.0	-54.92	359.62	3.16	-51.76
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007605332	0	38	-1.0	-57.07	334.88	5.16	-51.91
COC1=CC(OC)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Br	REAL300007605333	0	39	-1.0	-47.34	334.40	4.52	-42.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007605334	0	39	-1.0	-48.86	316.72	5.04	-43.82
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007605335	0	34	-1.0	-46.08	312.17	6.27	-39.81
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300007605336	0	39	-1.0	-53.47	322.13	5.27	-48.20
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605337	0	43	-1.0	-54.34	315.45	7.31	-47.03
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605338	0	43	-1.0	-59.19	351.77	3.54	-55.65
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007605339	0	42	-1.0	-52.98	370.49	8.01	-44.97
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007605340	0	37	-1.0	-45.70	329.51	5.34	-40.36
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007605341	0	37	-1.0	-56.56	348.23	5.88	-50.68
CC1=NC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2)=CO1	REAL300007605342	0	40	-1.0	-51.54	339.42	3.72	-47.82
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007605343	0	34	-1.0	-59.68	306.04	3.43	-56.25
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007605344	0	34	-1.0	-51.96	291.13	3.31	-48.65
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007605345	0	39	-1.0	-54.26	318.77	5.28	-48.98
CC1=CC=C(N2C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=N2)C=C1	REAL300007605346	0	41	-1.0	-53.15	347.05	6.46	-46.69
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007605347	0	39	-1.0	-46.61	336.82	5.77	-40.84
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300007605348	0	36	-1.0	-49.42	309.29	5.84	-43.58
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=N1	REAL300007605349	0	42	-1.0	-58.62	352.82	5.41	-53.21
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007605350	0	33	-1.0	-53.08	297.08	4.14	-48.94
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300007605351	0	39	-1.0	-46.18	314.13	5.04	-41.14
CC1=CC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2C=C1	REAL300007605352	0	40	-1.0	-47.22	330.26	7.58	-39.64
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300007605353	0	39	-1.0	-55.48	316.18	5.04	-50.44
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007605354	0	36	-1.0	-49.49	308.61	4.69	-44.80
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007605355	0	37	-1.0	-41.37	323.49	6.64	-34.73
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007605356	0	43	-1.0	-45.95	337.25	5.21	-40.74
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007605357	0	33	-1.0	-50.65	299.81	3.89	-46.76
COC1=CC=CC(OC)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605358	0	39	-1.0	-62.93	318.39	5.16	-57.77
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605359	0	39	-1.0	-52.81	318.25	6.32	-46.49
CC1=CC=C(C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300007605360	0	39	-1.0	-54.27	314.36	7.54	-46.73
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007605361	0	39	-1.0	-44.72	316.98	6.34	-38.38
COC1=CC=C(CCS(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605362	0	41	-1.0	-44.07	336.26	5.43	-38.64
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007605363	0	40	-1.0	-52.85	338.06	6.30	-46.55
COC1=CC(OC)=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605364	0	39	-1.0	-55.69	324.06	3.26	-52.43
CC1=CC2=C(C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C)OCO2	REAL300007605365	0	37	-1.0	-52.88	299.09	3.76	-49.12
COC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300007605366	0	35	-1.0	-41.71	308.57	4.52	-37.19
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007605367	0	37	-1.0	-58.97	313.35	6.01	-52.96
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300007605368	0	39	-1.0	-53.96	310.87	6.14	-47.82
CC1=NC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2O1	REAL300007605369	0	36	-1.0	-46.39	306.73	2.32	-44.07
CCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1CC	REAL300007605370	0	43	-1.0	-45.89	340.11	7.23	-38.66
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605371	0	39	-1.0	-47.95	313.29	6.60	-41.35
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605372	0	41	-1.0	-58.17	323.62	6.25	-51.92
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007605373	0	32	-1.0	-41.37	277.61	2.60	-38.77
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300007605374	0	38	-1.0	-55.27	313.86	4.48	-50.79
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007605375	0	37	-1.0	-65.76	312.37	6.78	-58.98
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007605376	0	34	-1.0	-44.55	276.43	3.45	-41.10
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC(C)=C1F	REAL300007605377	0	37	-1.0	-50.83	312.10	5.99	-44.84
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007605378	0	38	-1.0	-45.97	319.04	4.43	-41.54
CC(C)N(CC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007605379	0	44	-1.0	-42.51	362.28	6.18	-36.33
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007605380	0	35	-1.0	-48.50	291.32	4.39	-44.11
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007605381	0	33	-1.0	-62.11	291.96	4.42	-57.69
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007605382	0	34	-1.0	-56.92	305.61	5.89	-51.03
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1Cl	REAL300007605383	0	34	-1.0	-41.46	298.51	5.76	-35.70
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007605384	0	37	-1.0	-63.53	313.19	5.64	-57.89
CC1=CSC(C2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2)=N1	REAL300007605385	0	40	-1.0	-44.45	349.28	6.13	-38.32
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007605386	0	39	-1.0	-48.04	304.81	5.79	-42.25
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007605387	0	38	-1.0	-61.53	330.19	2.52	-59.01
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007605388	0	40	-1.0	-48.41	318.13	5.03	-43.38
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007605389	0	34	-1.0	-56.37	308.76	5.88	-50.49
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605390	0	56	-1.0	-43.18	443.39	9.58	-33.60
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605391	0	41	-1.0	-56.65	348.84	6.81	-49.84
CCC(C)OC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605392	0	44	-1.0	-56.89	355.10	6.31	-50.58
COC(CS(=O)(=O)N(CC(=O)[O-])C(C)C)C1CCCC1	REAL300007605393	0	44	-1.0	-43.53	339.39	4.95	-38.58
COC(CS(=O)(=O)N(CC(=O)[O-])C(C)C)C1CCCCC1	REAL300007605394	0	47	-1.0	-44.80	353.18	5.65	-39.15
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007605395	0	45	-1.0	-48.41	380.51	8.01	-40.40
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300007605396	0	50	-1.0	-43.98	394.50	7.70	-36.28
CCC1=NC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CN1CC1CC1	REAL300007605397	0	44	-1.0	-58.33	359.19	6.45	-51.88
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007605398	0	34	-1.0	-52.16	304.82	4.17	-47.99
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300007605399	0	39	-1.0	-48.27	315.88	6.56	-41.71
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007605400	0	38	-1.0	-50.45	307.75	4.43	-46.02
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007605401	0	44	-1.0	-53.42	368.49	6.98	-46.44
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007605402	0	34	-1.0	-48.01	308.94	3.18	-44.83
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007605403	0	42	-1.0	-55.84	365.66	8.75	-47.09
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007605404	0	41	-1.0	-48.97	312.64	7.42	-41.55
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC(C)=C1OCC1=CC=CC=C1	REAL300007605405	0	51	-1.0	-53.67	420.42	9.55	-44.12
CCC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300007605406	0	44	-1.0	-55.51	350.24	6.25	-49.26
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007605407	0	37	-1.0	-40.29	334.26	6.54	-33.75
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007605408	0	33	-1.0	-52.82	289.05	3.54	-49.28
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300007605409	0	40	-1.0	-46.70	312.60	7.69	-39.01
CC(C)OC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=N1	REAL300007605410	0	40	-1.0	-50.72	334.25	3.21	-47.51
COC1=C(F)C=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605411	0	35	-1.0	-44.27	288.16	4.80	-39.47
CCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300007605412	0	47	-1.0	-44.24	373.01	6.90	-37.34
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007605413	0	43	-1.0	-41.35	341.26	6.92	-34.43
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007605414	0	50	-1.0	-57.71	390.73	9.18	-48.53
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007605415	0	41	-1.0	-50.79	319.83	4.59	-46.20
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007605416	0	43	-1.0	-57.69	336.35	4.96	-52.73
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007605417	0	41	-1.0	-53.97	332.48	5.00	-48.97
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007605418	0	34	-1.0	-46.87	291.17	3.36	-43.51
COC1=CC=C(F)C=C1CS(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605419	0	38	-1.0	-59.22	323.45	4.81	-54.41
C=CCCC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605420	0	41	-1.0	-54.03	342.28	7.44	-46.59
CCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300007605421	0	53	-1.0	-45.35	416.00	8.49	-36.86
CC(C)N(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007605422	0	35	-1.0	-52.98	313.71	6.36	-46.62
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300007605423	0	53	-1.0	-44.15	407.05	8.37	-35.78
CCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1CC	REAL300007605424	0	47	-1.0	-45.22	377.58	7.18	-38.04
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605425	0	37	-1.0	-50.50	303.15	6.45	-44.05
CC1=CC(Br)=CC=C1CS(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605426	0	37	-1.0	-56.58	325.96	6.56	-50.02
CC(C)N(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007605427	0	35	-1.0	-54.50	311.22	6.27	-48.23
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605428	0	47	-1.0	-53.30	376.98	7.35	-45.95
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007605429	0	36	-1.0	-63.23	299.71	5.29	-57.94
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C2)C=C1	REAL300007605430	0	46	-1.0	-52.47	393.94	8.51	-43.96
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007605431	0	38	-1.0	-54.68	314.97	4.33	-50.35
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007605432	0	38	-1.0	-49.90	312.06	4.53	-45.37
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007605433	0	41	-1.0	-50.29	332.66	5.18	-45.11
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007605434	0	42	-1.0	-57.68	337.83	2.73	-54.95
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007605435	0	37	-1.0	-47.04	330.08	5.57	-41.47
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300007605436	0	38	-1.0	-54.66	309.45	4.70	-49.96
CCCCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300007605437	0	56	-1.0	-43.87	437.50	9.26	-34.61
COC1=CC(C(C)C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C	REAL300007605438	0	47	-1.0	-46.79	357.10	6.35	-40.44
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605439	0	41	-1.0	-57.34	327.18	5.98	-51.36
CCOCCOC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C(C)C	REAL300007605440	0	54	-1.0	-46.90	428.49	7.12	-39.78
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2OC(C)CC2=CC=C1	REAL300007605441	0	39	-1.0	-61.11	318.24	5.35	-55.76
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007605442	0	39	-1.0	-45.14	331.92	4.33	-40.81
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007605443	0	37	-1.0	-47.57	316.02	5.27	-42.30
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605444	0	36	-1.0	-64.85	305.77	4.27	-60.58
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007605445	0	35	-1.0	-44.25	312.50	5.02	-39.23
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007605446	0	34	-1.0	-55.43	303.93	6.09	-49.34
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007605447	0	38	-1.0	-45.83	314.23	4.41	-41.42
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=C1F	REAL300007605448	0	40	-1.0	-53.28	310.05	6.67	-46.61
COC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1OC	REAL300007605449	0	39	-1.0	-47.36	311.18	4.50	-42.86
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007605450	0	44	-1.0	-56.02	348.81	5.39	-50.63
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605451	0	43	-1.0	-44.50	338.92	5.16	-39.34
CCCCN1C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C)=N1	REAL300007605452	0	43	-1.0	-54.53	346.62	5.23	-49.30
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007605453	0	38	-1.0	-46.69	307.55	4.17	-42.52
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007605454	0	35	-1.0	-44.91	302.28	4.23	-40.68
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007605455	0	36	-1.0	-69.49	305.94	3.19	-66.30
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1Br	REAL300007605456	0	37	-1.0	-39.36	306.23	6.19	-33.17
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007605457	0	37	-1.0	-50.75	332.21	5.76	-44.99
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007605458	0	41	-1.0	-54.65	326.10	4.60	-50.05
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605459	0	49	-1.0	-46.96	367.52	8.26	-38.70
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007605460	0	37	-1.0	-54.27	336.27	6.53	-47.74
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007605461	0	41	-1.0	-52.89	339.05	5.31	-47.58
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007605462	0	35	-1.0	-43.68	291.00	5.55	-38.13
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007605463	0	42	-1.0	-45.28	354.56	7.56	-37.72
COC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300007605464	0	40	-1.0	-55.60	328.45	5.85	-49.75
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007605465	0	38	-1.0	-46.42	306.36	4.09	-42.33
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007605466	0	40	-1.0	-52.65	310.78	4.31	-48.34
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007605467	0	40	-1.0	-52.94	329.57	4.38	-48.56
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007605468	0	38	-1.0	-53.19	303.97	3.32	-49.87
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300007605469	0	36	-1.0	-43.73	313.98	4.47	-39.26
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007605470	0	34	-1.0	-48.72	310.23	5.72	-43.00
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605471	0	42	-1.0	-64.57	349.65	6.69	-57.88
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007605472	0	42	-1.0	-55.51	333.59	7.66	-47.85
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007605473	0	37	-1.0	-52.30	326.43	5.67	-46.63
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007605474	0	38	-1.0	-58.95	318.17	3.00	-55.95
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605475	0	41	-1.0	-42.51	359.23	5.43	-37.08
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007605476	0	31	-1.0	-58.44	286.09	4.84	-53.60
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007605477	0	41	-1.0	-50.27	328.66	5.23	-45.04
CCC(C)N1N=CC=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605478	0	40	-1.0	-51.69	326.21	4.53	-47.16
CC(C)N(CC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300007605479	0	45	-1.0	-40.30	324.65	5.47	-34.83
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007605480	0	45	-1.0	-55.81	358.15	3.67	-52.14
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007605481	0	37	-1.0	-55.29	318.29	6.18	-49.11
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007605482	0	35	-1.0	-55.13	304.32	4.23	-50.90
CC(C)N(CC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007605483	0	46	-1.0	-54.67	360.54	7.32	-47.35
CC1=CC(C)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300007605484	0	42	-1.0	-62.41	332.39	6.77	-55.64
CC(C)N(CC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007605485	0	39	-1.0	-39.36	318.55	4.85	-34.51
CCOCC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605486	0	41	-1.0	-56.59	341.99	5.34	-51.25
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007605487	0	34	-1.0	-53.67	324.35	6.66	-47.01
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007605488	0	41	-1.0	-52.49	347.05	5.76	-46.73
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007605489	0	44	-1.0	-53.88	351.47	5.60	-48.28
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007605490	0	42	-1.0	-45.02	351.73	7.51	-37.51
CC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC(C)=C1Br	REAL300007605491	0	37	-1.0	-51.17	322.76	6.40	-44.77
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007605492	0	34	-1.0	-53.67	324.35	6.66	-47.01
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007605493	0	40	-1.0	-48.08	312.04	7.04	-41.04
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007605494	0	41	-1.0	-63.14	340.72	5.82	-57.32
CC(C)N(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007605495	0	35	-1.0	-41.78	301.96	5.94	-35.84
CC(C)N(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007605496	0	35	-1.0	-52.92	318.27	6.45	-46.47
CC(C)N(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007605497	0	35	-1.0	-41.60	316.85	6.50	-35.10
CC(C)N(CC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007605498	0	36	-1.0	-42.57	304.70	-1.43	-44.00
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007605499	0	33	-1.0	-53.87	296.03	4.05	-49.82
CC1=NC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300007605500	0	40	-1.0	-59.24	338.99	3.60	-55.64
CC(C)N(CC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007605501	0	48	-1.0	-58.68	342.12	7.53	-51.15
CC(C)N(CC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007605502	0	39	-1.0	-45.69	300.50	5.08	-40.61
CC(C)N(CC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300007605503	0	39	-1.0	-53.66	331.98	1.44	-52.22
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007605504	0	44	-1.0	-58.88	339.39	4.99	-53.89
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007605505	0	35	-1.0	-64.02	313.10	3.69	-60.33
CC(C)N(CC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007605506	0	41	-1.0	-59.03	348.42	7.54	-51.49
CC(C)N(CC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007605507	0	40	-1.0	-42.20	315.55	2.07	-40.13
CC(C)N(CC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007605508	0	44	-1.0	-42.21	328.89	6.62	-35.59
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007605509	0	35	-1.0	-43.38	307.02	5.98	-37.40
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007605510	0	53	-1.0	-46.09	392.62	8.82	-37.27
COC1=CC=C(C=C(C)S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605511	0	42	-1.0	-44.36	339.45	5.67	-38.69
COC1=CSC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1OC	REAL300007605512	0	36	-1.0	-57.52	317.44	2.73	-54.79
CC(C)N(CC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007605513	0	43	-1.0	-43.66	319.74	5.04	-38.62
CC(C)N(CC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007605514	0	42	-1.0	-56.12	344.32	6.51	-49.61
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007605515	0	35	-1.0	-45.08	305.59	5.58	-39.50
COC1=CC(F)=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(F)=C1	REAL300007605516	0	35	-1.0	-55.70	302.77	4.23	-51.47
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007605517	0	35	-1.0	-43.20	308.52	4.31	-38.89
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007605518	0	37	-1.0	-46.73	305.61	4.54	-42.19
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007605519	0	38	-1.0	-58.50	318.80	6.43	-52.07
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007605520	0	40	-1.0	-52.38	343.95	5.14	-47.24
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605521	0	44	-1.0	-54.93	356.13	6.99	-47.94
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007605522	0	42	-1.0	-57.07	353.76	7.49	-49.58
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007605523	0	37	-1.0	-66.90	302.63	6.46	-60.44
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007605524	0	32	-1.0	-56.86	302.71	3.61	-53.25
C=C(C)COC1=CC=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605525	0	42	-1.0	-57.53	348.74	6.28	-51.25
CCN1C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300007605526	0	41	-1.0	-46.51	329.06	5.03	-41.48
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=NSN=C2C=C1	REAL300007605527	0	35	-1.0	-63.46	298.80	3.76	-59.70
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007605528	0	37	-1.0	-43.34	325.60	7.43	-35.91
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007605529	0	41	-1.0	-52.56	356.00	8.59	-43.97
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007605530	0	30	-1.0	-50.67	292.41	2.65	-48.02
CCC1=CC(S(=O)(=O)N(CC(=O)[O-])C(C)C)=CC=C1Br	REAL300007605531	0	37	-1.0	-50.95	324.10	6.53	-44.42
CC1=NN(C2CCCC2)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605532	0	44	-1.0	-50.08	350.09	5.79	-44.29
COCCC1=CC=C(OC)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605533	0	45	-1.0	-59.78	362.58	5.04	-54.74
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007605534	0	37	-1.0	-45.89	310.37	7.00	-38.89
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007605535	0	39	-1.0	-50.30	313.05	2.35	-47.95
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007605536	0	37	-1.0	-53.00	329.91	4.48	-48.52
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007605537	0	46	-1.0	-44.89	364.93	5.04	-39.85
COC1=NC=C(Cl)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605538	0	34	-1.0	-43.22	299.15	2.43	-40.79
COC1=NC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1C	REAL300007605539	0	37	-1.0	-51.75	312.39	2.07	-49.68
CC(C)CN1C=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=N1	REAL300007605540	0	40	-1.0	-52.77	332.47	4.76	-48.01
CC1=NN(C(C)C)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605541	0	40	-1.0	-54.24	319.69	4.06	-50.18
CC(C)N(CC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007605542	0	41	-1.0	-54.64	325.90	2.39	-52.25
COCC1=CC(CS(=O)(=O)N(CC(=O)[O-])C(C)C)=NO1	REAL300007605543	0	37	-1.0	-48.53	315.85	2.52	-46.01
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007605544	0	36	-1.0	-54.59	320.37	6.66	-47.93
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007605545	0	42	-1.0	-49.75	336.05	5.06	-44.69
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007605546	0	38	-1.0	-44.13	308.20	4.67	-39.46
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007605547	0	38	-1.0	-57.42	321.35	5.69	-51.73
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007605548	0	33	-1.0	-46.56	287.57	4.04	-42.52
CC1=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=NN1C(C)C	REAL300007605549	0	40	-1.0	-57.75	320.84	4.21	-53.54
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C=C1	REAL300007605550	0	45	-1.0	-52.88	373.89	8.22	-44.66
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007605551	0	36	-1.0	-61.25	298.31	5.02	-56.23
CC(C)N(CC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300007605552	0	34	-1.0	-50.89	296.97	4.36	-46.53
CC(C)N(CC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007605553	0	39	-1.0	-43.24	315.39	0.37	-42.87
COC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C(C(F)F)=C1	REAL300007605554	0	38	-1.0	-62.11	317.35	5.18	-56.93
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605555	0	37	-1.0	-42.97	321.56	2.93	-40.04
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007605556	0	36	-1.0	-46.43	290.29	4.63	-41.80
CCOC1=CC=CN=C1S(=O)(=O)N(CC(=O)[O-])C(C)C	REAL300007605557	0	37	-1.0	-51.12	304.43	4.27	-46.85
CC1=CC=C(S(=O)(=O)N(CC(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300007605558	0	39	-1.0	-62.63	315.22	6.33	-56.30
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007605559	0	33	-1.0	-61.03	294.41	3.78	-57.25
CC(C)N(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007605560	0	38	-1.0	-43.79	330.11	5.40	-38.39
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(CC(=O)[O-])C(C)C)=C1	REAL300007605561	0	44	-1.0	-47.80	342.12	6.66	-41.14
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1)C1=CC(F)=CC=C1F	REAL300007605562	0	32	-1.0	-45.37	301.15	5.38	-39.99
O=C([O-])C(NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC(F)=CC=C1F	REAL300007605563	0	32	-1.0	-43.78	309.38	5.52	-38.26
CC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605564	0	37	-1.0	-51.23	344.24	5.86	-45.37
CCCCN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605565	0	39	-1.0	-53.52	342.96	4.98	-48.54
CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605566	0	34	-1.0	-55.31	309.20	4.61	-50.70
O=C([O-])C(NS(=O)(=O)C1=CC=CS1)C1=CC(F)=CC=C1F	REAL300007605567	0	29	-1.0	-44.72	293.16	4.42	-40.30
CCC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605568	0	44	-1.0	-47.61	382.01	8.01	-39.60
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300007605569	0	32	-1.0	-47.24	317.14	5.22	-42.02
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)S1)C1=CC(F)=CC=C1F	REAL300007605570	0	29	-1.0	-42.14	310.13	5.02	-37.12
COC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605571	0	39	-1.0	-47.14	336.60	5.87	-41.27
O=C([O-])C(NS(=O)(=O)N1CCOCC1)C1=CC(F)=CC=C1F	REAL300007605572	0	35	-1.0	-52.73	310.24	2.12	-50.61
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605573	0	35	-1.0	-42.43	331.71	6.75	-35.68
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300007605574	0	32	-1.0	-50.11	307.87	3.14	-46.97
CCN(CC)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605575	0	36	-1.0	-44.80	316.82	4.18	-40.62
CN(C1CCCCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605576	0	43	-1.0	-43.65	353.80	5.70	-37.95
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605577	0	38	-1.0	-57.30	337.02	4.29	-53.01
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C1=CC(F)=CC=C1F	REAL300007605578	0	38	-1.0	-48.67	347.46	4.60	-44.07
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605579	0	38	-1.0	-47.18	346.22	6.87	-40.31
CC1=NNC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605580	0	32	-1.0	-46.72	304.72	2.41	-44.31
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605581	0	37	-1.0	-61.37	335.44	7.76	-53.61
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C1=CC(F)=CC=C1F	REAL300007605582	0	38	-1.0	-55.12	364.57	7.33	-47.79
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605583	0	43	-1.0	-46.35	385.95	7.28	-39.07
CC1=CC(F)=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605584	0	35	-1.0	-55.73	330.36	6.07	-49.66
O=C([O-])C(NS(=O)(=O)CCC1CC1)C1=CC(F)=CC=C1F	REAL300007605585	0	35	-1.0	-55.32	317.90	5.41	-49.91
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1=CC(F)=CC=C1F	REAL300007605586	0	38	-1.0	-55.01	349.47	5.89	-49.12
COCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605587	0	39	-1.0	-47.32	358.40	5.16	-42.16
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300007605588	0	38	-1.0	-47.07	352.35	3.04	-44.03
CS(=O)(=O)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605589	0	37	-1.0	-69.00	351.57	1.36	-67.64
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1C	REAL300007605590	0	42	-1.0	-45.94	358.50	6.12	-39.82
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C1=CC(F)=CC=C1F	REAL300007605591	0	37	-1.0	-51.89	344.29	5.81	-46.08
O=C([O-])C(NS(=O)(=O)CC1=NOC=C1)C1=CC(F)=CC=C1F	REAL300007605592	0	31	-1.0	-49.30	297.37	3.33	-45.97
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=NN1C	REAL300007605593	0	35	-1.0	-47.53	324.20	3.60	-43.93
CN(C1CCOCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605594	0	41	-1.0	-53.03	348.23	3.42	-49.61
O=C([O-])C(NS(=O)(=O)N1CC2CCC1C2)C1=CC(F)=CC=C1F	REAL300007605595	0	38	-1.0	-56.03	326.11	4.75	-51.28
CCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1C	REAL300007605596	0	41	-1.0	-51.11	361.80	5.34	-45.77
CC(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300007605597	0	38	-1.0	-48.40	345.90	4.48	-43.92
CC(C)CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605598	0	41	-1.0	-64.06	366.85	6.35	-57.71
CC(C)N1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605599	0	38	-1.0	-64.57	349.18	5.76	-58.81
CC(C)C1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CN1	REAL300007605600	0	38	-1.0	-63.00	345.30	4.02	-58.98
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605601	0	44	-1.0	-48.20	350.51	7.81	-40.39
O=C([O-])C(NS(=O)(=O)CC1CCCOC1)C1=CC(F)=CC=C1F	REAL300007605602	0	39	-1.0	-44.15	335.69	4.12	-40.03
CC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605603	0	35	-1.0	-43.94	318.04	6.23	-37.71
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C1=CC(F)=CC=C1F	REAL300007605604	0	35	-1.0	-46.10	337.50	6.36	-39.74
COCCC(C)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605605	0	38	-1.0	-44.69	338.15	3.77	-40.92
COC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605606	0	36	-1.0	-43.37	319.83	5.58	-37.79
CCC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605607	0	37	-1.0	-44.37	321.20	5.26	-39.11
CC1=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)C=CC=C2C=C1	REAL300007605608	0	40	-1.0	-53.42	339.78	6.71	-46.71
CCN(CC1CC1)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605609	0	40	-1.0	-44.79	348.86	5.74	-39.05
CCCN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605610	0	38	-1.0	-64.79	351.06	6.13	-58.66
COCCOCCOCCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605611	0	46	-1.0	-49.37	407.12	2.65	-46.72
O=C([O-])C(NS(=O)(=O)CCOCC1CC1)C1=CC(F)=CC=C1F	REAL300007605612	0	39	-1.0	-45.36	349.69	4.65	-40.71
CC(COC1CCCC1)CS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605613	0	48	-1.0	-56.43	402.91	6.74	-49.69
COCC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605614	0	38	-1.0	-42.18	332.66	3.66	-38.52
CCOCC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605615	0	41	-1.0	-56.85	358.46	4.62	-52.23
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1=CC(F)=CC=C1F	REAL300007605616	0	40	-1.0	-46.35	361.38	3.17	-43.18
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605617	0	41	-1.0	-44.92	349.05	7.29	-37.63
O=C([O-])C(NS(=O)(=O)CCCN1CCOCC1)C1=CC(F)=CC=C1F	REAL300007605618	0	44	-1.0	-56.55	376.04	2.33	-54.22
CCOC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605619	0	39	-1.0	-48.34	354.67	5.64	-42.70
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300007605620	0	39	-1.0	-49.22	363.07	3.04	-46.18
CC(C)(C)CCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605621	0	40	-1.0	-55.16	342.93	5.55	-49.61
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C1=CC(F)=CC=C1F	REAL300007605622	0	37	-1.0	-51.63	344.15	5.83	-45.80
CC1CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300007605623	0	37	-1.0	-45.21	325.13	4.38	-40.83
COCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605624	0	39	-1.0	-45.40	343.38	5.34	-40.06
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C1=CC(F)=CC=C1F	REAL300007605625	0	35	-1.0	-48.59	346.93	4.52	-44.07
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C1=CC(F)=CC=C1F	REAL300007605626	0	35	-1.0	-47.71	342.39	4.28	-43.43
CC1(C)CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)=CC=C2O1	REAL300007605627	0	43	-1.0	-54.50	378.57	6.60	-47.90
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605628	0	36	-1.0	-60.09	339.69	6.45	-53.64
CCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605629	0	38	-1.0	-45.63	344.05	6.81	-38.82
CCC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605630	0	41	-1.0	-57.73	369.04	7.52	-50.21
O=C([O-])C(NS(=O)(=O)CCC1=CC=CS1)C1=CC(F)=CC=C1F	REAL300007605631	0	35	-1.0	-55.58	336.43	5.96	-49.62
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1C	REAL300007605632	0	41	-1.0	-46.99	362.94	7.33	-39.66
CC(C)CN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605633	0	39	-1.0	-50.74	337.65	5.17	-45.57
CCN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605634	0	33	-1.0	-53.56	299.97	3.44	-50.12
CN(C1CCCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605635	0	40	-1.0	-42.21	333.77	5.06	-37.15
CCCN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605636	0	36	-1.0	-50.53	324.68	4.34	-46.19
CC1(C)CN(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CCO1	REAL300007605637	0	41	-1.0	-44.60	348.85	3.68	-40.92
CC1=NOC(CS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605638	0	34	-1.0	-56.28	323.06	4.22	-52.06
CCS(=O)(=O)NCCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605639	0	39	-1.0	-60.16	366.44	0.07	-60.09
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)OC2=CC=C(F)C=C12	REAL300007605640	0	38	-1.0	-49.35	356.73	6.73	-42.62
O=C([O-])C(NS(=O)(=O)CCC1CCCO1)C1=CC(F)=CC=C1F	REAL300007605641	0	39	-1.0	-49.46	343.76	4.19	-45.27
O=C([O-])C(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C1=CC(F)=CC=C1F	REAL300007605642	0	43	-1.0	-46.19	379.79	6.68	-39.51
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1N(C)C	REAL300007605643	0	43	-1.0	-45.85	375.74	6.03	-39.82
O=C([O-])C(NS(=O)(=O)C1=C2OCCCN2N=C1)C1=CC(F)=CC=C1F	REAL300007605644	0	37	-1.0	-48.26	325.81	2.21	-46.05
O=C([O-])C(NS(=O)(=O)CCOCC1CCCC1)C1=CC(F)=CC=C1F	REAL300007605645	0	45	-1.0	-54.18	387.33	5.79	-48.39
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605646	0	44	-1.0	-48.84	375.59	5.88	-42.96
COC(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605647	0	35	-1.0	-58.25	318.99	3.07	-55.18
CCC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)C=C12	REAL300007605648	0	39	-1.0	-49.29	362.39	3.06	-46.23
CN1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)=CN=C21	REAL300007605649	0	37	-1.0	-47.86	347.67	4.55	-43.31
O=C([O-])C(NS(=O)(=O)C1=CN2CCCCC2=N1)C1=CC(F)=CC=C1F	REAL300007605650	0	39	-1.0	-63.88	345.84	5.62	-58.26
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1F	REAL300007605651	0	39	-1.0	-46.89	350.80	5.65	-41.24
CC1(CS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CCCCC1	REAL300007605652	0	44	-1.0	-44.94	351.73	6.89	-38.05
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C1=CC(F)=CC=C1F	REAL300007605653	0	41	-1.0	-55.97	365.65	6.84	-49.13
CN1N=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605654	0	31	-1.0	-50.19	296.44	1.79	-48.40
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(F)=C1	REAL300007605655	0	38	-1.0	-60.92	351.43	6.79	-54.13
O=C([O-])C(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C1=CC(F)=CC=C1F	REAL300007605657	0	45	-1.0	-57.12	391.14	8.65	-48.47
CC(C)(C)C1=CC(CS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=NO1	REAL300007605658	0	43	-1.0	-47.48	383.77	6.11	-41.37
O=C([O-])C(NS(=O)(=O)CCC1CCC1)C1=CC(F)=CC=C1F	REAL300007605659	0	38	-1.0	-55.41	335.93	5.91	-49.50
CC(C)(C)CCCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605660	0	43	-1.0	-55.82	364.66	6.27	-49.55
O=C([O-])C(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C1=CC(F)=CC=C1F	REAL300007605661	0	41	-1.0	-62.09	363.53	2.54	-59.55
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1=CC(F)=CC=C1F	REAL300007605662	0	35	-1.0	-55.34	339.92	5.84	-49.50
CC1=C(CCS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)SC=N1	REAL300007605663	0	37	-1.0	-55.60	350.16	4.61	-50.99
COCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300007605664	0	36	-1.0	-58.65	327.41	4.32	-54.33
O=C([O-])C(NS(=O)(=O)CC12CCC(CC1)C2)C1=CC(F)=CC=C1F	REAL300007605665	0	42	-1.0	-57.57	350.73	6.75	-50.82
O=C([O-])C(NS(=O)(=O)CC1CC(F)(F)C1)C1=CC(F)=CC=C1F	REAL300007605666	0	35	-1.0	-56.33	326.22	5.32	-51.01
O=C([O-])C(NS(=O)(=O)CC12CCC(CC1)CC2)C1=CC(F)=CC=C1F	REAL300007605667	0	45	-1.0	-56.71	358.37	7.37	-49.34
O=C([O-])C(NS(=O)(=O)CCC1CCOC1)C1=CC(F)=CC=C1F	REAL300007605668	0	39	-1.0	-56.22	341.65	3.86	-52.36
CC(C)(CCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)S(C)(=O)=O	REAL300007605669	0	43	-1.0	-70.78	375.83	2.44	-68.34
O=C([O-])C(NS(=O)(=O)CC1CCCCC1(F)F)C1=CC(F)=CC=C1F	REAL300007605670	0	41	-1.0	-47.63	351.90	6.49	-41.14
O=C([O-])C(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=CC(F)=CC=C1F	REAL300007605671	0	39	-1.0	-45.44	348.82	7.41	-38.03
CN1C=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300007605672	0	32	-1.0	-51.09	307.82	2.98	-48.11
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C=C1)C1=CC(F)=CC=C1F	REAL300007605673	0	32	-1.0	-42.86	319.71	5.98	-36.88
O=C([O-])C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1=CC(F)=CC=C1F	REAL300007605674	0	34	-1.0	-42.62	331.55	6.10	-36.52
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C1=CC(F)=CC=C1F	REAL300007605675	0	38	-1.0	-50.32	349.26	7.70	-42.62
O=C([O-])C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1=CC(F)=CC=C1F	REAL300007605676	0	34	-1.0	-43.20	329.37	6.05	-37.15
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605677	0	37	-1.0	-44.78	344.64	6.96	-37.82
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605678	0	36	-1.0	-46.96	332.82	4.72	-42.24
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1=CC(F)=CC=C1F	REAL300007605679	0	34	-1.0	-51.23	315.37	6.79	-44.44
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605680	0	35	-1.0	-47.67	324.73	6.09	-41.58
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605681	0	39	-1.0	-46.90	354.68	5.65	-41.25
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1C	REAL300007605682	0	44	-1.0	-47.32	365.24	8.19	-39.13
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1	REAL300007605683	0	41	-1.0	-47.52	351.53	7.66	-39.86
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605684	0	47	-1.0	-46.72	391.80	8.59	-38.13
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C1=CC(F)=CC=C1F	REAL300007605685	0	35	-1.0	-43.76	342.05	6.42	-37.34
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605686	0	35	-1.0	-46.58	324.38	6.11	-40.47
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC=C1)C1=CC(F)=CC=C1F	REAL300007605687	0	36	-1.0	-50.29	335.23	6.62	-43.67
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C1=CC(F)=CC=C1F	REAL300007605688	0	35	-1.0	-46.43	323.26	6.84	-39.59
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Cl)=C1)C1=CC(F)=CC=C1F	REAL300007605689	0	32	-1.0	-43.46	319.70	5.97	-37.49
CC(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605690	0	37	-1.0	-46.45	345.73	5.96	-40.49
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605691	0	38	-1.0	-46.27	337.82	6.96	-39.31
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1C	REAL300007605692	0	38	-1.0	-48.67	341.75	6.62	-42.05
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1	REAL300007605693	0	38	-1.0	-45.28	334.87	6.85	-38.43
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605694	0	44	-1.0	-46.15	377.42	7.72	-38.43
CC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605695	0	41	-1.0	-47.42	363.56	7.36	-40.06
CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605696	0	34	-1.0	-55.31	309.20	4.61	-50.70
CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605697	0	41	-1.0	-47.03	367.72	7.65	-39.38
COC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605698	0	36	-1.0	-46.88	315.09	5.20	-41.68
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1)C1=CC(F)=CC=C1F	REAL300007605699	0	35	-1.0	-57.20	326.10	6.07	-51.13
CC1=C(C)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1C	REAL300007605700	0	47	-1.0	-57.18	376.44	8.46	-48.72
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C1=CC(F)=CC=C1F	REAL300007605701	0	41	-1.0	-52.58	366.16	5.36	-47.22
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1[N+](=O)[O-]	REAL300007605702	0	37	-1.0	-44.18	345.36	6.57	-37.61
CC1=NNC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605703	0	35	-1.0	-51.00	314.80	3.08	-47.92
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C1=CC(F)=CC=C1F	REAL300007605704	0	35	-1.0	-51.38	341.27	6.35	-45.03
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C1=CC(F)=CC=C1F	REAL300007605705	0	42	-1.0	-48.82	366.04	7.91	-40.91
COC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605706	0	40	-1.0	-47.17	344.65	4.51	-42.66
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OC	REAL300007605707	0	40	-1.0	-54.96	361.27	4.55	-50.41
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCCC2=C1)C1=CC(F)=CC=C1F	REAL300007605708	0	39	-1.0	-56.77	346.62	7.26	-49.51
CC1=NOC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605709	0	34	-1.0	-45.84	316.07	4.42	-41.42
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C1=CC(F)=CC=C1F	REAL300007605710	0	40	-1.0	-55.92	358.20	7.80	-48.12
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCC2=C1)C1=CC(F)=CC=C1F	REAL300007605711	0	37	-1.0	-54.95	337.00	5.20	-49.75
CC(C)CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605712	0	47	-1.0	-46.85	406.78	8.93	-37.92
O=C([O-])C(NS(=O)(=O)N1CCCCCC1)C1=CC(F)=CC=C1F	REAL300007605713	0	40	-1.0	-45.03	334.93	5.48	-39.55
CC1=CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)=C2N=C1	REAL300007605714	0	40	-1.0	-53.85	348.54	7.15	-46.70
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605715	0	36	-1.0	-43.59	330.08	6.02	-37.57
O=C([O-])C(NS(=O)(=O)N1CCCCC1)C1=CC(F)=CC=C1F	REAL300007605716	0	37	-1.0	-54.48	319.03	4.46	-50.02
O=C([O-])C(NS(=O)(=O)N1CCCC1)C1=CC(F)=CC=C1F	REAL300007605717	0	34	-1.0	-54.70	303.15	3.64	-51.06
O=C([O-])C(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C1=CC(F)=CC=C1F	REAL300007605718	0	41	-1.0	-45.77	359.69	6.75	-39.02
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C2=CC=CN=C12	REAL300007605719	0	40	-1.0	-48.72	354.54	6.55	-42.17
CC1CCN(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300007605720	0	40	-1.0	-53.70	339.96	5.14	-48.56
CC1CC(C)CN(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300007605721	0	43	-1.0	-45.22	363.22	5.83	-39.39
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C1=CC(F)=CC=C1F	REAL300007605722	0	38	-1.0	-59.21	343.36	7.77	-51.44
CC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605723	0	35	-1.0	-43.04	319.30	6.26	-36.78
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NSN=C21)C1=CC(F)=CC=C1F	REAL300007605724	0	33	-1.0	-50.38	314.59	3.79	-46.59
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605725	0	36	-1.0	-43.34	330.16	6.03	-37.31
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605726	0	36	-1.0	-46.87	330.65	4.68	-42.19
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605727	0	47	-1.0	-46.89	393.41	8.25	-38.64
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1Cl	REAL300007605728	0	35	-1.0	-55.39	336.58	6.45	-48.94
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605729	0	42	-1.0	-47.43	372.59	6.27	-41.16
CCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605730	0	38	-1.0	-45.17	331.28	7.07	-38.10
CC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605731	0	35	-1.0	-46.15	315.43	6.10	-40.05
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CN1C	REAL300007605732	0	35	-1.0	-66.86	327.27	4.27	-62.59
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C1=CC(F)=CC=C1F	REAL300007605733	0	35	-1.0	-44.97	341.26	6.62	-38.35
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NON=C21)C1=CC(F)=CC=C1F	REAL300007605734	0	33	-1.0	-54.73	307.10	4.51	-50.22
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C1=CC(F)=CC=C1F	REAL300007605735	0	37	-1.0	-53.37	326.55	6.42	-46.95
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1F	REAL300007605736	0	36	-1.0	-52.71	338.25	4.71	-48.00
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1F	REAL300007605737	0	35	-1.0	-56.71	329.27	6.05	-50.66
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605738	0	38	-1.0	-57.26	347.51	6.74	-50.52
CN1C=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605739	0	32	-1.0	-65.26	306.33	4.48	-60.78
O=C([O-])C(NS(=O)(=O)C1=CC=CN=C1)C1=CC(F)=CC=C1F	REAL300007605740	0	31	-1.0	-45.20	297.96	3.66	-41.54
CC(C)N(C)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605742	0	36	-1.0	-54.78	314.80	3.76	-51.02
CCCN(CCC)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605743	0	42	-1.0	-52.56	359.03	5.57	-46.99
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605744	0	37	-1.0	-41.40	343.21	6.90	-34.50
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605745	0	37	-1.0	-45.50	338.94	6.79	-38.71
CC(C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605746	0	44	-1.0	-46.00	384.13	8.14	-37.86
COCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605747	0	42	-1.0	-47.14	379.89	5.94	-41.20
COCCN(CCOC)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605748	0	44	-1.0	-51.47	376.22	2.64	-48.83
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605749	0	35	-1.0	-43.75	333.13	6.81	-36.94
COC1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1C	REAL300007605750	0	42	-1.0	-47.97	376.57	6.34	-41.63
CC(C)COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605751	0	45	-1.0	-46.84	396.28	7.15	-39.69
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605752	0	42	-1.0	-45.82	375.83	6.48	-39.34
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1Cl	REAL300007605753	0	36	-1.0	-52.19	346.63	5.21	-46.98
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1C	REAL300007605754	0	39	-1.0	-47.66	352.88	5.46	-42.20
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1OC(C)C	REAL300007605755	0	45	-1.0	-47.67	392.68	7.01	-40.66
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1	REAL300007605756	0	39	-1.0	-46.09	344.26	5.55	-40.54
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1F)C1=CC(F)=CC=C1F	REAL300007605757	0	35	-1.0	-57.54	330.02	6.11	-51.43
CC1=NC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300007605758	0	34	-1.0	-46.90	328.55	3.99	-42.91
O=C([O-])C(NS(=O)(=O)C1=CSC2=CC=CC=C12)C1=CC(F)=CC=C1F	REAL300007605759	0	35	-1.0	-47.95	339.91	6.78	-41.17
O=C([O-])C(NS(=O)(=O)CC1CCCC1)C1=CC(F)=CC=C1F	REAL300007605760	0	38	-1.0	-56.31	329.35	5.77	-50.54
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1F	REAL300007605761	0	36	-1.0	-51.21	336.82	4.72	-46.49
O=C([O-])C(NS(=O)(=O)C1=CSC=C1)C1=CC(F)=CC=C1F	REAL300007605762	0	29	-1.0	-44.42	294.42	4.32	-40.10
O=C([O-])C(NS(=O)(=O)CC1CCCCC1)C1=CC(F)=CC=C1F	REAL300007605763	0	41	-1.0	-55.87	343.64	6.49	-49.38
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605764	0	40	-1.0	-64.15	363.65	6.68	-57.47
CNC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CN1C	REAL300007605765	0	40	-1.0	-48.55	366.86	3.10	-45.45
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1	REAL300007605766	0	42	-1.0	-55.13	358.02	6.16	-48.97
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1C	REAL300007605767	0	42	-1.0	-45.60	362.38	6.22	-39.38
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C2=CC=CN=C2C=C1	REAL300007605768	0	40	-1.0	-49.34	346.55	6.56	-42.78
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C1=CC(F)=CC=C1F	REAL300007605769	0	37	-1.0	-48.81	334.62	5.83	-42.98
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C([N+](=O)[O-])=N1	REAL300007605770	0	37	-1.0	-53.28	349.47	5.99	-47.29
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605771	0	40	-1.0	-51.96	366.41	6.68	-45.28
CN(C1CC1)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605772	0	34	-1.0	-54.64	306.92	3.91	-50.73
O=C([O-])C(NS(=O)(=O)C1=CN=C2NC=CC=C12)C1=CC(F)=CC=C1F	REAL300007605773	0	35	-1.0	-73.75	330.51	4.59	-69.16
CC1=CC=CC(CS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605774	0	38	-1.0	-46.65	345.93	6.79	-39.86
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(F)=C1)C1=CC(F)=CC=C1F	REAL300007605775	0	35	-1.0	-46.45	332.08	6.18	-40.27
CC1=CC=CC=C1CS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605776	0	38	-1.0	-47.50	341.46	6.68	-40.82
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605777	0	42	-1.0	-46.87	350.80	6.55	-40.32
O=C([O-])C(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C1=CC(F)=CC=C1F	REAL300007605778	0	37	-1.0	-50.72	349.42	5.56	-45.16
O=C([O-])C(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C1=CC(F)=CC=C1F	REAL300007605779	0	39	-1.0	-50.59	361.71	6.51	-44.08
COCCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605780	0	32	-1.0	-44.78	296.16	2.10	-42.68
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C1=CC(F)=CC=C1F	REAL300007605781	0	42	-1.0	-57.24	359.52	8.09	-49.15
O=C([O-])C(NS(=O)(=O)C1=CC=C2COCC2=C1)C1=CC(F)=CC=C1F	REAL300007605782	0	37	-1.0	-46.60	338.94	4.75	-41.85
O=C([O-])C(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C1=CC(F)=CC=C1F	REAL300007605783	0	40	-1.0	-63.15	364.60	6.62	-56.53
O=C([O-])C(NS(=O)(=O)C1CCS(=O)(=O)CC1)C1=CC(F)=CC=C1F	REAL300007605784	0	38	-1.0	-50.57	347.49	1.81	-48.76
O=C([O-])C(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=CC(F)=CC=C1F	REAL300007605785	0	37	-1.0	-55.04	349.37	5.53	-49.51
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1	REAL300007605786	0	42	-1.0	-45.32	364.78	6.41	-38.91
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C1=CC(F)=CC=C1F	REAL300007605787	0	36	-1.0	-46.00	320.52	5.68	-40.32
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605788	0	36	-1.0	-46.59	343.52	6.45	-40.14
CCCCCCCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605789	0	43	-1.0	-55.72	373.93	6.92	-48.80
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605790	0	43	-1.0	-53.54	371.48	7.17	-46.37
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)N=C1C	REAL300007605791	0	38	-1.0	-63.28	345.63	5.38	-57.90
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C1=CC(F)=CC=C1F	REAL300007605792	0	38	-1.0	-58.38	345.52	5.04	-53.34
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C1=CC(F)=CC=C1F	REAL300007605793	0	37	-1.0	-49.77	339.35	5.88	-43.89
O=C([O-])C(NS(=O)(=O)CC1CCCO1)C1=CC(F)=CC=C1F	REAL300007605794	0	36	-1.0	-59.46	321.83	3.68	-55.78
O=C([O-])C(NS(=O)(=O)CC1CCCCO1)C1=CC(F)=CC=C1F	REAL300007605795	0	39	-1.0	-47.32	339.91	4.40	-42.92
O=C([O-])C(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C1=CC(F)=CC=C1F	REAL300007605796	0	41	-1.0	-49.09	368.15	7.02	-42.07
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)C=C12	REAL300007605797	0	40	-1.0	-48.54	369.64	5.15	-43.39
O=C([O-])C(NS(=O)(=O)CC1CC1)C1=CC(F)=CC=C1F	REAL300007605798	0	32	-1.0	-44.93	297.33	4.64	-40.29
COCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605799	0	39	-1.0	-46.69	358.04	5.17	-41.52
CC1(C)CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)=C2O1	REAL300007605800	0	43	-1.0	-61.70	381.60	6.62	-55.08
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300007605801	0	35	-1.0	-50.28	329.40	3.99	-46.29
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1Cl)C1=CC(F)=CC=C1F	REAL300007605802	0	35	-1.0	-56.94	339.70	6.52	-50.42
CC(C1CC1)N(C)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605803	0	40	-1.0	-56.17	334.04	4.86	-51.31
CN1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605804	0	32	-1.0	-46.63	301.91	3.07	-43.56
O=C([O-])C(NS(=O)(=O)CC1CCOC1)C1=CC(F)=CC=C1F	REAL300007605805	0	36	-1.0	-45.95	318.01	3.31	-42.64
CC1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)=CC=C2O1	REAL300007605806	0	40	-1.0	-54.97	358.01	5.94	-49.03
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605807	0	44	-1.0	-54.59	358.81	8.69	-45.90
CCCCCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605808	0	37	-1.0	-55.66	330.93	5.36	-50.30
COCCN(C)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605809	0	37	-1.0	-50.65	333.38	2.79	-47.86
CN(CC1CC1)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605810	0	37	-1.0	-44.23	333.63	5.04	-39.19
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C(F)(F)F)=N1	REAL300007605811	0	35	-1.0	-48.85	337.62	4.29	-44.56
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C(C)O1	REAL300007605812	0	35	-1.0	-46.01	322.77	4.83	-41.18
CC1=CSC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605813	0	32	-1.0	-45.02	314.72	5.06	-39.96
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C1=CC(F)=CC=C1F	REAL300007605814	0	35	-1.0	-52.93	332.74	5.84	-47.09
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCOC2=C1)C1=CC(F)=CC=C1F	REAL300007605815	0	35	-1.0	-47.26	329.38	4.09	-43.17
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300007605816	0	35	-1.0	-52.77	328.31	2.01	-50.76
O=C([O-])C(NS(=O)(=O)C1=CC=CO1)C1=CC(F)=CC=C1F	REAL300007605817	0	29	-1.0	-56.90	286.43	3.39	-53.51
O=C([O-])C(NS(=O)(=O)C1=CN=C2CCCN12)C1=CC(F)=CC=C1F	REAL300007605818	0	36	-1.0	-50.83	330.51	4.88	-45.95
O=C([O-])C(NS(=O)(=O)C1=COC=C1)C1=CC(F)=CC=C1F	REAL300007605819	0	29	-1.0	-53.22	284.39	3.26	-49.96
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)SC=C1	REAL300007605820	0	32	-1.0	-48.66	313.99	4.98	-43.68
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C1=CC(F)=CC=C1F	REAL300007605821	0	40	-1.0	-48.33	356.67	6.08	-42.25
O=C([O-])C(NS(=O)(=O)C1CC2=CC=CC=C2C1)C1=CC(F)=CC=C1F	REAL300007605822	0	39	-1.0	-56.84	340.88	7.01	-49.83
O=C([O-])C(NS(=O)(=O)C1CCOC1)C1=CC(F)=CC=C1F	REAL300007605823	0	33	-1.0	-44.38	295.67	2.38	-42.00
C=CCCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605824	0	32	-1.0	-54.84	300.51	4.40	-50.44
O=C([O-])C(NS(=O)(=O)C1=CNC=N1)C1=CC(F)=CC=C1F	REAL300007605825	0	29	-1.0	-58.75	284.57	2.74	-56.01
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1[N+](=O)[O-]	REAL300007605826	0	37	-1.0	-42.65	347.19	6.64	-36.01
O=C([O-])C(NS(=O)(=O)CCCF)C1=CC(F)=CC=C1F	REAL300007605827	0	31	-1.0	-56.25	294.29	3.97	-52.28
O=C([O-])C(NS(=O)(=O)CCCCF)C1=CC(F)=CC=C1F	REAL300007605828	0	34	-1.0	-55.67	315.79	4.75	-50.92
CC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605829	0	35	-1.0	-48.75	327.60	3.72	-45.03
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)O1	REAL300007605830	0	32	-1.0	-56.89	306.91	4.22	-52.67
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)N(C)N=C1	REAL300007605831	0	35	-1.0	-46.28	318.67	3.92	-42.36
O=C([O-])C(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C1=CC(F)=CC=C1F	REAL300007605832	0	34	-1.0	-54.25	334.57	4.83	-49.42
CN(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605833	0	40	-1.0	-49.60	354.42	5.82	-43.78
C=C(C)CS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605834	0	32	-1.0	-55.91	300.77	4.24	-51.67
CC1=CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)C=C2C=C1	REAL300007605835	0	41	-1.0	-56.62	368.34	8.28	-48.34
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)SC=C1	REAL300007605836	0	33	-1.0	-49.08	321.44	4.43	-44.65
C=CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605837	0	35	-1.0	-55.96	322.24	5.14	-50.82
CN(C)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605838	0	40	-1.0	-49.38	354.86	5.81	-43.57
O=C([O-])C(NS(=O)(=O)CC1CCC1)C1=CC(F)=CC=C1F	REAL300007605839	0	35	-1.0	-43.77	312.84	5.19	-38.58
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCC2)C1=CC(F)=CC=C1F	REAL300007605840	0	37	-1.0	-50.79	326.03	5.31	-45.48
O=C([O-])C(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C1=CC(F)=CC=C1F	REAL300007605841	0	37	-1.0	-63.09	349.50	5.42	-57.67
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCOC2=C1)C1=CC(F)=CC=C1F	REAL300007605842	0	37	-1.0	-48.17	338.78	5.31	-42.86
O=C([O-])C(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C1=CC(F)=CC=C1F	REAL300007605843	0	38	-1.0	-44.63	363.90	7.41	-37.22
CN1CCCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)C=C21	REAL300007605844	0	44	-1.0	-49.14	377.20	6.00	-43.14
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C1=CC(F)=CC=C1F	REAL300007605845	0	34	-1.0	-51.57	335.83	4.55	-47.02
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605846	0	40	-1.0	-65.07	354.81	5.90	-59.17
COC1=CC=C(CCS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605847	0	42	-1.0	-47.00	376.67	6.19	-40.81
COC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605848	0	35	-1.0	-48.11	327.89	2.89	-45.22
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300007605849	0	41	-1.0	-56.70	376.30	7.03	-49.67
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C1=CC(F)=CC=C1F	REAL300007605850	0	39	-1.0	-47.61	352.56	7.53	-40.08
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC(OC)=C1	REAL300007605851	0	40	-1.0	-51.28	362.31	4.02	-47.26
O=C([O-])C(NS(=O)(=O)CCC1CCCCC1)C1=CC(F)=CC=C1F	REAL300007605852	0	44	-1.0	-55.64	368.43	7.03	-48.61
CC1=CC=C(CCS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605853	0	41	-1.0	-45.50	367.43	7.58	-37.92
CC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)OCO2	REAL300007605854	0	38	-1.0	-45.24	340.83	4.91	-40.33
O=C([O-])C(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C1=CC(F)=CC=C1F	REAL300007605855	0	35	-1.0	-50.65	317.10	6.03	-44.62
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1Cl	REAL300007605856	0	36	-1.0	-51.25	346.63	5.21	-46.04
O=C([O-])C(NS(=O)(=O)CCC1CCCC1)C1=CC(F)=CC=C1F	REAL300007605857	0	41	-1.0	-55.43	351.90	6.45	-48.98
CN1C=NC2=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)=CC=C21	REAL300007605858	0	38	-1.0	-54.84	351.59	6.77	-48.07
CC1(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300007605859	0	32	-1.0	-56.03	293.59	4.58	-51.45
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C2=NC=CC=C2C=C1	REAL300007605860	0	40	-1.0	-69.69	354.36	7.29	-62.40
CC1=NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)C=C2O1	REAL300007605861	0	37	-1.0	-51.06	346.97	3.08	-47.98
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1CC	REAL300007605862	0	44	-1.0	-46.72	378.19	7.95	-38.77
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605863	0	42	-1.0	-59.06	360.11	6.95	-52.11
CC1=C(C)SC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605864	0	35	-1.0	-48.02	336.28	5.80	-42.22
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605865	0	33	-1.0	-51.55	324.51	3.28	-48.27
CC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300007605866	0	31	-1.0	-44.87	309.66	3.25	-41.62
CCC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300007605867	0	34	-1.0	-44.56	331.14	4.00	-40.56
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(N)=NO1	REAL300007605868	0	33	-1.0	-51.20	311.07	2.76	-48.44
CN(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300007605869	0	39	-1.0	-55.02	350.79	5.06	-49.96
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300007605870	0	35	-1.0	-45.67	323.17	5.51	-40.16
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C1=CC(F)=CC=C1F	REAL300007605871	0	38	-1.0	-61.96	349.14	6.79	-55.17
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCO2)C1=CC(F)=CC=C1F	REAL300007605872	0	35	-1.0	-57.51	330.34	4.03	-53.48
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC(C)=C1F	REAL300007605873	0	38	-1.0	-45.05	350.36	6.77	-38.28
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C1=CC(F)=CC=C1F	REAL300007605874	0	39	-1.0	-57.27	357.04	5.10	-52.17
O=C([O-])C(NS(=O)(=O)CCCOCC1=CC=CC=C1)C1=CC(F)=CC=C1F	REAL300007605875	0	45	-1.0	-58.67	403.37	6.88	-51.79
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC=CC(F)=C12)C1=CC(F)=CC=C1F	REAL300007605876	0	36	-1.0	-52.49	337.53	5.38	-47.11
O=C([O-])C(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C1=CC(F)=CC=C1F	REAL300007605877	0	34	-1.0	-50.63	320.32	5.25	-45.38
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300007605878	0	34	-1.0	-56.37	319.15	4.13	-52.24
CC1=NC(CS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CS1	REAL300007605879	0	34	-1.0	-50.41	332.25	3.79	-46.62
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CC1	REAL300007605880	0	39	-1.0	-44.73	342.35	5.14	-39.59
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C1=CC(F)=CC=C1F	REAL300007605881	0	35	-1.0	-55.28	341.43	6.60	-48.68
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1Cl	REAL300007605882	0	35	-1.0	-44.46	338.79	6.52	-37.94
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C1=CC(F)=CC=C1F	REAL300007605883	0	38	-1.0	-67.39	350.62	6.32	-61.07
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C1=CC(F)=CC=C1F	REAL300007605884	0	40	-1.0	-51.53	354.72	6.66	-44.87
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C1=CC(F)=CC=C1F	REAL300007605885	0	41	-1.0	-57.99	365.53	5.72	-52.27
O=C([O-])C(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C1=CC(F)=CC=C1F	REAL300007605886	0	35	-1.0	-55.73	344.58	6.61	-49.12
CCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300007605887	0	35	-1.0	-45.85	309.97	5.23	-40.62
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605888	0	45	-1.0	-47.92	393.00	7.11	-40.81
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CCCC1	REAL300007605889	0	45	-1.0	-53.51	374.61	5.62	-47.89
COC(CS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CCCCC1	REAL300007605890	0	48	-1.0	-57.35	393.81	6.39	-50.96
CC1(C)CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CO1	REAL300007605891	0	39	-1.0	-53.57	341.03	3.97	-49.60
CCOC(CS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C1CC1	REAL300007605892	0	42	-1.0	-45.83	364.85	5.71	-40.12
CCC1=NC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=CN1CC1CC1	REAL300007605893	0	45	-1.0	-63.71	400.20	7.52	-56.19
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C1=CC(F)=CC=C1F	REAL300007605894	0	35	-1.0	-53.25	341.72	4.89	-48.36
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605895	0	39	-1.0	-52.59	346.59	5.14	-47.45
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605896	0	35	-1.0	-43.44	342.74	3.97	-39.47
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C(C)C=C1OC	REAL300007605897	0	45	-1.0	-46.70	387.54	7.09	-39.61
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300007605898	1	34	-1.0	-63.29	329.40	4.38	-58.91
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C2=CC=CC=C2C=C1	REAL300007605899	0	41	-1.0	-51.84	353.56	8.47	-43.37
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300007605900	0	41	-1.0	-51.37	370.31	3.90	-47.47
COC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605901	0	36	-1.0	-54.60	338.22	5.39	-49.21
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605902	0	42	-1.0	-53.02	359.86	5.35	-47.67
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C(C)(C)C)=N1	REAL300007605903	0	44	-1.0	-44.43	371.83	5.71	-38.72
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C1=CC(F)=CC=C1F	REAL300007605904	0	42	-1.0	-46.44	368.55	5.73	-40.71
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605905	0	35	-1.0	-44.28	334.78	4.20	-40.08
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605906	0	39	-1.0	-59.08	360.73	5.52	-53.56
C=CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605907	0	42	-1.0	-45.85	380.18	8.24	-37.61
CCC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605908	0	38	-1.0	-50.89	340.74	4.35	-46.54
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C1=CC(F)=CC=C1F	REAL300007605909	0	36	-1.0	-53.49	352.24	7.10	-46.39
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605910	0	38	-1.0	-51.14	343.85	7.39	-43.75
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C1=CC(F)=CC=C1F	REAL300007605912	0	36	-1.0	-55.53	349.99	6.99	-48.54
CCCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605913	0	41	-1.0	-45.04	352.17	7.83	-37.21
COC1=NC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605914	0	35	-1.0	-49.32	311.40	2.87	-46.45
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C1=CC(F)=CC=C1F	REAL300007605915	0	37	-1.0	-51.89	339.43	5.96	-45.93
CC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)N1C	REAL300007605916	0	35	-1.0	-51.58	322.70	4.40	-47.18
O=C([O-])C(NS(=O)(=O)C1=CC=CC=N1)C1=CC(F)=CC=C1F	REAL300007605917	0	31	-1.0	-62.20	299.52	3.51	-58.69
CC1=CSC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605918	0	35	-1.0	-44.39	325.00	6.05	-38.34
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C1=CC(F)=CC=C1F	REAL300007605919	0	39	-1.0	-55.97	351.85	5.04	-50.93
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1CCC1)C1=CC(F)=CC=C1F	REAL300007605920	0	39	-1.0	-53.55	352.82	5.21	-48.34
O=C([O-])C(NS(=O)(=O)C1=CC=NN1CC1CCC1)C1=CC(F)=CC=C1F	REAL300007605921	0	42	-1.0	-45.05	366.88	5.86	-39.19
O=C([O-])C(NS(=O)(=O)C1=CN=C2CCCCN12)C1=CC(F)=CC=C1F	REAL300007605922	0	39	-1.0	-56.88	340.70	5.14	-51.74
CC1CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)=C2O1	REAL300007605923	0	40	-1.0	-51.16	347.03	6.08	-45.08
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300007605924	0	40	-1.0	-45.96	369.80	5.08	-40.88
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605925	0	37	-1.0	-65.14	339.36	4.89	-60.25
CCN1N=NC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605926	0	34	-1.0	-49.90	318.81	2.65	-47.25
O=C([O-])C(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C1=CC(F)=CC=C1F	REAL300007605927	0	41	-1.0	-45.89	348.74	5.45	-40.44
O=C([O-])C(NS(=O)(=O)C1=CC2=NON=C2C=C1)C1=CC(F)=CC=C1F	REAL300007605928	0	33	-1.0	-42.19	318.21	4.21	-37.98
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C1=CC(F)=CC=C1F	REAL300007605929	0	35	-1.0	-57.76	340.49	6.81	-50.95
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605930	0	39	-1.0	-52.34	352.04	4.78	-47.56
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1F	REAL300007605931	0	41	-1.0	-54.73	353.49	7.62	-47.11
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1OC	REAL300007605932	0	40	-1.0	-57.33	360.99	5.23	-52.10
O=C([O-])C(NS(=O)(=O)C1=COC2=CC=CC=C12)C1=CC(F)=CC=C1F	REAL300007605933	0	35	-1.0	-55.15	332.07	5.68	-49.47
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C2CCCC2)=N1	REAL300007605934	0	45	-1.0	-49.21	387.94	6.27	-42.94
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605935	0	44	-1.0	-52.92	379.01	5.88	-47.04
CCCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=N1	REAL300007605936	0	44	-1.0	-48.52	388.66	5.97	-42.55
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C2CC2)=N1	REAL300007605937	0	39	-1.0	-50.13	359.56	5.30	-44.83
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C1=CC(F)=CC=C1F	REAL300007605938	0	36	-1.0	-48.83	342.23	5.04	-43.79
CN1N=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3=CC(F)=CC=C3F)C=CC=C21	REAL300007605939	0	37	-1.0	-60.62	334.48	3.81	-56.81
CC1(C)CCCN(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300007605940	0	43	-1.0	-54.20	355.49	5.73	-48.47
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C(C2CCC2)=N1	REAL300007605941	0	42	-1.0	-49.62	374.55	5.76	-43.86
O=C([O-])C(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C1=CC(F)=CC=C1F	REAL300007605942	0	42	-1.0	-48.12	375.12	6.03	-42.09
O=C([O-])C(NS(=O)(=O)C1=C(C2CC2)C=CS1)C1=CC(F)=CC=C1F	REAL300007605943	0	36	-1.0	-47.52	339.72	6.64	-40.88
CCCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605944	0	41	-1.0	-47.15	367.71	7.63	-39.52
CN1N=C2CCCC2=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605945	0	39	-1.0	-53.67	348.52	4.86	-48.81
O=C([O-])C(NS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1)C1=CC(F)=CC=C1F	REAL300007605946	0	38	-1.0	-45.03	330.94	4.88	-40.15
CC1=CC=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605947	0	38	-1.0	-46.52	330.22	7.00	-39.52
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605948	0	41	-1.0	-45.11	343.77	5.24	-39.87
CC(C)(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300007605949	0	41	-1.0	-48.10	367.47	5.15	-42.95
O=C([O-])C(NS(=O)(=O)C1=CNN=C1C1CCC1)C1=CC(F)=CC=C1F	REAL300007605950	0	39	-1.0	-47.23	351.73	4.48	-42.75
CC1=NN(C)C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605951	0	35	-1.0	-46.03	323.31	3.57	-42.46
CC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1C	REAL300007605952	0	38	-1.0	-46.37	334.14	6.87	-39.50
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605953	0	43	-1.0	-50.87	387.55	7.49	-43.38
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C1=CC(F)=CC=C1F	REAL300007605954	0	43	-1.0	-47.32	368.61	8.36	-38.96
O=C([O-])C(NS(=O)(=O)N1CC2=CC=CC=C2C1)C1=CC(F)=CC=C1F	REAL300007605955	0	38	-1.0	-48.17	344.72	5.85	-42.32
CN(C1CCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605956	0	37	-1.0	-43.36	320.66	4.51	-38.85
O=C([O-])C(NS(=O)(=O)CC1=NOC2=C1COCC2)C1=CC(F)=CC=C1F	REAL300007605957	0	39	-1.0	-49.30	351.88	3.71	-45.59
O=C([O-])C(NC(=O)N1CCC(F)(F)CC1)C1=CC(F)=CC=C1F	REAL300007605958	0	36	-1.0	-55.02	312.21	7.60	-47.42
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C1=CC(F)=CC=C1F	REAL300007605959	0	39	-1.0	-55.06	350.30	7.46	-47.60
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=CS1	REAL300007605960	0	33	-1.0	-44.88	309.61	4.38	-40.50
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1CCCC1)C1=CC(F)=CC=C1F	REAL300007605961	0	42	-1.0	-51.33	366.69	5.99	-45.34
CCC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605962	0	41	-1.0	-45.27	361.09	5.26	-40.01
CN(C(C)(C)C)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605963	0	39	-1.0	-54.63	329.14	4.82	-49.81
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)O1	REAL300007605964	0	35	-1.0	-56.79	328.39	5.00	-51.79
CN(C1CCCCCC1)S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605965	0	46	-1.0	-46.62	374.10	6.48	-40.14
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605966	0	38	-1.0	-47.69	356.54	6.95	-40.74
O=C([O-])C(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C1=CC(F)=CC=C1F	REAL300007605967	0	36	-1.0	-47.68	342.22	5.03	-42.65
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300007605968	0	33	-1.0	-44.91	324.95	3.85	-41.06
O=C([O-])C(NS(=O)(=O)C1=CN(CCF)N=C1)C1=CC(F)=CC=C1F	REAL300007605969	0	35	-1.0	-48.20	335.99	4.13	-44.07
CCOCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605970	0	42	-1.0	-47.64	380.24	6.10	-41.54
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C1=CC(F)=CC=C1F	REAL300007605971	0	45	-1.0	-47.96	389.72	6.36	-41.60
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1CF)C1=CC(F)=CC=C1F	REAL300007605972	0	35	-1.0	-44.99	320.71	6.43	-38.56
CC1=CN=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007605973	0	34	-1.0	-47.35	319.42	4.32	-43.03
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C2=CC=CC=C12	REAL300007605974	0	41	-1.0	-59.59	361.07	8.29	-51.30
O=C([O-])C(NS(=O)(=O)N1CC2CC1C2)C1=CC(F)=CC=C1F	REAL300007605975	0	35	-1.0	-55.98	315.37	4.32	-51.66
O=C([O-])C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C1=CC(F)=CC=C1F	REAL300007605976	0	36	-1.0	-54.65	342.16	6.63	-48.02
CCOCCCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605977	0	38	-1.0	-56.48	343.22	3.87	-52.61
O=C([O-])C(NS(=O)(=O)CCC1NC(=O)NC1=O)C1=CC(F)=CC=C1F	REAL300007605978	0	37	-1.0	-61.51	345.59	-0.70	-62.21
O=C([O-])C(NS(=O)(=O)C1=CN=C2C=CC=CN21)C1=CC(F)=CC=C1F	REAL300007605979	0	35	-1.0	-58.92	327.40	5.77	-53.15
O=C([O-])C(NS(=O)(=O)C1CCC(F)(F)CC1)C1=CC(F)=CC=C1F	REAL300007605980	0	38	-1.0	-44.35	339.97	5.88	-38.47
O=C([O-])C(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C1=CC(F)=CC=C1F	REAL300007605981	0	34	-1.0	-47.70	332.09	4.78	-42.92
O=C([O-])C(NS(=O)(=O)CCOC1CCOC1)C1=CC(F)=CC=C1F	REAL300007605982	0	40	-1.0	-54.76	357.39	2.51	-52.25
O=C([O-])C(NS(=O)(=O)CC1COCCO1)C1=CC(F)=CC=C1F	REAL300007605983	0	37	-1.0	-44.82	327.46	2.52	-42.30
O=C([O-])C(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C1=CC(F)=CC=C1F	REAL300007605984	0	49	-1.0	-44.69	375.64	8.22	-36.47
O=C([O-])C(NS(=O)(=O)CCN1C=NN=N1)C1=CC(F)=CC=C1F	REAL300007605985	0	33	-1.0	-60.22	317.14	3.24	-56.98
CC1(C)COC(CS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300007605986	0	42	-1.0	-46.87	362.04	4.89	-41.98
O=C([O-])C(NS(=O)(=O)CC1CS(=O)(=O)C1)C1=CC(F)=CC=C1F	REAL300007605987	0	35	-1.0	-62.55	333.34	1.04	-61.51
CC(C)(CS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F)C(C)(F)F	REAL300007605988	0	40	-1.0	-48.24	337.63	5.79	-42.45
CS(=O)(=O)CCCCS(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605989	0	40	-1.0	-66.06	373.07	2.14	-63.92
CC1(C)CCC(CS(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)OC1	REAL300007605990	0	45	-1.0	-45.62	373.35	5.47	-40.15
O=C([O-])C(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C1=CC(F)=CC=C1F	REAL300007605991	0	42	-1.0	-55.16	371.48	7.67	-47.49
O=C([O-])C(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C1=CC(F)=CC=C1F	REAL300007605992	0	36	-1.0	-51.96	346.62	4.38	-47.58
O=C([O-])C(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C1=CC(F)=CC=C1F	REAL300007605993	0	41	-1.0	-46.00	354.51	2.82	-43.18
COCCC1(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300007605994	0	39	-1.0	-47.59	343.27	4.29	-43.30
CCN1N=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=N1	REAL300007605995	0	34	-1.0	-53.04	322.77	2.22	-50.82
O=C([O-])C(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C1=CC(F)=CC=C1F	REAL300007605996	0	45	-1.0	-56.06	370.16	7.32	-48.74
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)S1)C1=CC(F)=CC=C1F	REAL300007605997	0	36	-1.0	-48.39	347.15	6.74	-41.65
COC1=CC=C(C=C(C)S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300007605998	0	43	-1.0	-49.13	372.91	6.30	-42.83
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300007605999	0	37	-1.0	-57.75	330.93	2.24	-55.51
CC1=COC(S(=O)(=O)NC(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300007606000	0	32	-1.0	-56.64	308.33	4.06	-52.58
CCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007606096	0	35	-1.0	-44.46	291.16	2.99	-41.47
CCC(C)(NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007606097	0	36	-1.0	-41.66	314.33	4.75	-36.91
CCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300007606098	0	42	-1.0	-62.55	343.13	3.63	-58.92
CCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300007606099	0	42	-1.0	-48.99	341.77	-0.08	-49.07
CCC(C)(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007606100	0	39	-1.0	-50.68	317.26	4.12	-46.56
CCC(C)(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007606101	0	39	-1.0	-49.92	317.55	5.08	-44.84
CCC(C)(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007606102	0	42	-1.0	-46.18	327.56	1.45	-44.73
CCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300007606103	0	45	-1.0	-44.59	378.52	4.24	-40.35
CCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300007606104	0	45	-1.0	-60.72	370.46	4.73	-55.99
CCC(C)(NS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300007606105	0	45	-1.0	-46.26	360.44	0.47	-45.79
CCC(C)(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007606106	0	47	-1.0	-38.03	353.47	4.50	-33.53
CCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007606107	0	46	-1.0	-42.93	379.20	4.55	-38.38
CCC(C)(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007606108	0	38	-1.0	-44.04	317.56	3.21	-40.83
CCC(C)(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007606109	0	39	-1.0	-45.54	308.49	0.69	-44.85
CCC(C)(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300007606110	0	35	-1.0	-44.19	300.17	2.84	-41.35
CCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007606111	0	35	-1.0	-43.83	300.90	3.25	-40.58
CCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300007606112	0	37	-1.0	-43.58	304.90	3.71	-39.87
CCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300007606113	0	37	-1.0	-52.09	307.66	5.30	-46.79
CCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300007606114	0	37	-1.0	-57.43	307.59	5.30	-52.13
CCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007606115	0	37	-1.0	-42.52	303.81	4.49	-38.03
CCC(C)(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007606116	0	43	-1.0	-38.36	324.56	0.07	-38.29
CCOC1=CC=CC(S(=O)(=O)NC(C)(CC)C(=O)[O-])=C1	REAL300007606117	0	38	-1.0	-54.57	302.60	3.70	-50.87
CCC(C)(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300007606118	0	38	-1.0	-46.41	310.18	0.52	-45.89
CCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007606119	0	38	-1.0	-49.97	313.19	3.45	-46.52
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C)(CC)C(=O)[O-])=C1C	REAL300007606120	0	58	-1.0	-55.46	439.50	7.78	-47.68
CCC(C)(NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300007606121	0	45	-1.0	-46.07	370.23	1.40	-44.67
CCC(C)(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007606122	0	39	-1.0	-39.15	324.36	5.26	-33.89
CCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007606123	0	36	-1.0	-46.44	290.48	3.18	-43.26
CCC(C)(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007606124	0	34	-1.0	-40.03	296.99	4.48	-35.55
CCC(C)(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007606125	0	34	-1.0	-42.06	291.44	4.37	-37.69
CCC(C)(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007606126	0	38	-1.0	-59.07	314.11	0.82	-58.25
CCC(C)(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300007606127	0	34	-1.0	-43.99	292.04	4.19	-39.80
CCC(C)(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007606128	0	34	-1.0	-40.32	288.70	4.52	-35.80
CCC(C)(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300007606129	0	38	-1.0	-41.91	298.80	3.10	-38.81
CCC(C)(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300007606130	0	35	-1.0	-43.26	299.29	2.94	-40.32
CCC(C)(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300007606131	0	39	-1.0	-44.14	328.34	2.91	-41.23
CCC(C)(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007606132	0	34	-1.0	-49.65	294.30	1.97	-47.68
CCC(C)(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007606133	0	34	-1.0	-48.59	288.35	1.80	-46.79
CCC(C)(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007606134	0	42	-1.0	-45.33	326.92	4.21	-41.12
CCC(C)(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007606135	0	34	-1.0	-43.32	298.29	2.30	-41.02
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(CC)C(=O)[O-]	REAL300007606136	0	42	-1.0	-58.34	310.70	1.19	-57.15
CCC(C)(NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300007606137	0	34	-1.0	-44.35	294.71	4.61	-39.74
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300007606138	0	43	-1.0	-50.64	353.13	2.17	-48.47
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(CC)C(=O)[O-])=C1	REAL300007606139	0	48	-1.0	-55.58	387.95	3.19	-52.39
CCC(C)(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007606140	0	35	-1.0	-43.57	293.14	4.26	-39.31
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300007606141	0	48	-1.0	-54.50	392.35	1.47	-53.03
CCC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007606142	0	39	-1.0	-48.01	328.70	-0.25	-48.26
CCC(C)(NS(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1)C(=O)[O-]	REAL300007606143	0	45	-1.0	-53.03	385.94	0.72	-52.31
CCC(C)(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC)C(=O)[O-]	REAL300007606144	0	46	-1.0	-47.80	384.69	0.53	-47.27
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C(F)=C1	REAL300007606145	0	45	-1.0	-43.41	378.35	1.44	-41.97
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300007606146	0	45	-1.0	-48.22	368.54	0.74	-47.48
CCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007606147	0	42	-1.0	-67.49	332.62	3.44	-64.05
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1F	REAL300007606148	0	45	-1.0	-46.62	371.68	1.43	-45.19
CCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007606149	0	46	-1.0	-68.93	358.08	4.20	-64.73
CCC(C)(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300007606150	0	42	-1.0	-46.87	350.17	0.64	-46.23
CCC(C)(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007606151	0	46	-1.0	-46.74	363.11	3.41	-43.33
CCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007606152	0	43	-1.0	-55.90	343.92	3.48	-52.42
CCC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300007606153	0	40	-1.0	-53.69	332.64	1.43	-52.26
CCC(C)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300007606154	0	41	-1.0	-46.58	345.46	0.44	-46.14
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1Br	REAL300007606155	0	38	-1.0	-45.09	321.13	3.86	-41.23
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007606156	0	45	-1.0	-46.79	357.85	6.00	-40.79
CCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007606157	0	35	-1.0	-43.06	311.24	3.71	-39.35
CCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007606158	0	37	-1.0	-45.38	329.88	1.07	-44.31
CCC(C)(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300007606159	0	38	-1.0	-43.89	319.83	3.67	-40.22
CCC(C)(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007606160	0	45	-1.0	-45.05	362.34	4.86	-40.19
CCC(C)(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300007606161	0	38	-1.0	-44.06	325.91	4.25	-39.81
CCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007606162	0	43	-1.0	-47.18	340.02	4.45	-42.73
CCC(C)(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300007606163	0	38	-1.0	-45.04	315.79	-2.09	-47.13
CCC(C)(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007606164	0	37	-1.0	-42.89	307.92	4.55	-38.34
CCC(C)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007606165	0	34	-1.0	-43.78	306.18	5.02	-38.76
CCC(C)(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007606166	0	37	-1.0	-46.15	315.08	5.73	-40.42
CCC(C)(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007606167	0	34	-1.0	-40.70	308.46	4.97	-35.73
CCC(C)(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007606168	0	37	-1.0	-44.49	314.74	6.02	-38.47
CCC(C)(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007606169	0	37	-1.0	-47.10	310.43	4.74	-42.36
CCC(C)(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007606170	0	42	-1.0	-42.36	333.08	4.48	-37.88
CCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007606171	0	45	-1.0	-42.74	371.16	6.53	-36.21
CCC(C)(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007606172	0	44	-1.0	-51.43	356.82	4.52	-46.91
CCC(C)(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007606173	0	42	-1.0	-43.64	351.94	0.22	-43.42
CCC(C)(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300007606174	0	40	-1.0	-44.32	321.50	5.93	-38.39
CCC(C)(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300007606175	0	42	-1.0	-45.23	324.00	3.63	-41.60
CCC(C)(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007606176	0	37	-1.0	-41.46	313.39	5.11	-36.35
CCC(C)(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007606177	0	36	-1.0	-48.91	295.77	0.14	-48.77
CCC(C)(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007606178	0	44	-1.0	-41.88	336.67	3.62	-38.26
CCC(C)(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300007606179	0	38	-1.0	-57.43	314.07	4.15	-53.28
CCC(C)(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007606180	0	40	-1.0	-48.92	336.38	1.38	-47.54
CCC(C)(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300007606181	0	35	-1.0	-44.95	304.57	4.44	-40.51
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(CC)C(=O)[O-]	REAL300007606182	0	43	-1.0	-51.82	328.01	3.78	-48.04
CCC(C)(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007606183	0	39	-1.0	-43.58	320.57	1.43	-42.15
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C12	REAL300007606184	0	38	-1.0	-44.01	310.66	0.67	-43.34
CCC(C)(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007606185	0	42	-1.0	-43.54	345.93	2.79	-40.75
CCC(C)(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007606186	0	36	-1.0	-45.91	293.67	2.04	-43.87
CCC(C)(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007606187	0	37	-1.0	-45.01	316.48	5.80	-39.21
CCC1=CC(CC)=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C(CC)=C1	REAL300007606188	0	49	-1.0	-52.40	354.49	8.29	-44.11
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC)C(=O)[O-]	REAL300007606189	1	46	-1.0	-47.64	371.39	0.33	-47.31
CCC(C)(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007606190	0	38	-1.0	-59.13	299.36	3.96	-55.17
CCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007606191	0	37	-1.0	-43.52	317.94	1.00	-42.52
CCC(C)(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007606192	0	40	-1.0	-67.45	319.56	7.29	-60.16
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300007606193	0	38	-1.0	-42.41	302.30	3.12	-39.29
CCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007606194	0	40	-1.0	-43.71	311.35	4.24	-39.47
CCC(C)(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007606196	0	39	-1.0	-44.17	318.81	4.09	-40.08
CCC(C)(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300007606197	0	38	-1.0	-44.46	321.18	3.15	-41.31
CCC(C)(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300007606198	0	37	-1.0	-43.89	301.36	4.51	-39.38
CCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007606200	0	31	-1.0	-41.83	283.16	3.27	-38.56
CCC(C)(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007606201	0	44	-1.0	-39.89	339.62	6.39	-33.50
CCC(C)(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007606202	0	42	-1.0	-42.44	332.51	3.80	-38.64
CCC(C)(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007606203	0	40	-1.0	-46.09	313.99	0.30	-45.79
CCC(C)(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007606204	0	34	-1.0	-42.23	288.90	3.73	-38.50
CCC(C)(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007606205	0	36	-1.0	-40.82	300.71	2.37	-38.45
CCC(C)(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300007606206	0	43	-1.0	-44.96	335.99	4.67	-40.29
CCC(C)(NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007606207	0	44	-1.0	-40.16	309.34	5.19	-34.97
CCC(C)(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007606208	0	42	-1.0	-52.75	325.20	0.27	-52.48
CCC(C)(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007606209	0	40	-1.0	-42.13	300.33	4.31	-37.82
CCC(C)(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1)C(=O)[O-]	REAL300007606210	0	46	-1.0	-47.82	372.87	6.22	-41.60
CCC(C)(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300007606211	0	50	-1.0	-45.28	390.94	3.73	-41.55
CCC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007606212	0	39	-1.0	-45.67	312.75	4.84	-40.83
CCC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007606213	0	31	-1.0	-42.64	271.75	3.64	-39.00
CCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007606214	0	33	-1.0	-42.43	277.63	3.62	-38.81
CCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007606215	0	37	-1.0	-47.17	295.20	5.20	-41.97
CCC(C)(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007606216	0	33	-1.0	-47.73	278.68	3.68	-44.05
CCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300007606217	0	36	-1.0	-42.58	300.88	4.61	-37.97
CCC(C)(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007606218	0	33	-1.0	-59.47	270.38	4.94	-54.53
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(CC)C(=O)[O-]	REAL300007606219	0	38	-1.0	-43.32	327.91	4.48	-38.84
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300007606220	0	38	-1.0	-45.24	300.75	3.18	-42.06
CCC(C)(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300007606221	0	43	-1.0	-42.55	315.12	5.76	-36.79
CCC(C)(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300007606222	0	46	-1.0	-42.99	348.82	6.26	-36.73
CCC(C)(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007606223	0	34	-1.0	-44.54	288.55	3.95	-40.59
CCC(C)(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007606224	0	34	-1.0	-40.42	277.17	4.54	-35.88
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007606225	0	37	-1.0	-47.16	305.97	3.76	-43.40
CCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007606226	0	43	-1.0	-45.16	325.66	5.28	-39.88
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300007606227	0	48	-1.0	-47.95	386.21	2.67	-45.28
CCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007606228	0	42	-1.0	-48.46	345.72	0.92	-47.54
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300007606229	0	35	-1.0	-45.48	299.28	2.94	-42.54
CCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007606230	0	37	-1.0	-41.11	327.17	4.94	-36.17
CCC(C)(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300007606231	0	34	-1.0	-42.99	288.90	4.14	-38.85
CCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300007606232	0	45	-1.0	-45.30	359.33	6.40	-38.90
CCC(C)(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007606233	0	35	-1.0	-42.65	295.44	2.75	-39.90
CCC(C)(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300007606234	0	46	-1.0	-43.90	328.24	6.20	-37.70
CCC(C)(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007606235	0	40	-1.0	-46.06	312.16	2.89	-43.17
CCC(C)(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300007606236	0	47	-1.0	-46.47	360.96	5.28	-41.19
CCC(C)(NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300007606237	0	38	-1.0	-47.35	324.74	5.29	-42.06
CCC(C)(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007606238	0	36	-1.0	-45.77	294.84	4.21	-41.56
CCC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300007606239	0	35	-1.0	-43.30	306.06	3.55	-39.75
CCC(C)(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300007606240	0	49	-1.0	-43.58	355.98	6.94	-36.64
CCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007606241	0	34	-1.0	-50.84	289.99	4.48	-46.36
CCC(C)(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007606242	0	41	-1.0	-46.07	312.05	5.39	-40.68
CCC(C)(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300007606243	0	39	-1.0	-48.26	314.23	2.21	-46.05
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300007606244	0	39	-1.0	-46.67	308.09	2.17	-44.50
CCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007606245	0	39	-1.0	-44.21	306.48	5.38	-38.83
CCC(C)(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300007606246	0	46	-1.0	-45.28	352.92	6.47	-38.81
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1OCC	REAL300007606247	0	45	-1.0	-46.27	351.81	4.01	-42.26
CCC(C)(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007606248	0	36	-1.0	-49.76	303.65	-2.08	-51.84
CCC(C)(NS(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007606249	0	39	-1.0	-46.61	313.99	4.81	-41.80
CCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300007606250	0	39	-1.0	-41.77	313.05	4.97	-36.80
CCC(C)(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300007606251	0	39	-1.0	-50.03	319.30	4.44	-45.59
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007606252	0	37	-1.0	-55.40	299.82	4.24	-51.16
CCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300007606253	0	35	-1.0	-40.32	299.60	3.57	-36.75
CCC(C)(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007606254	0	36	-1.0	-52.24	304.71	-2.03	-54.27
CCC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007606255	0	43	-1.0	-56.62	360.17	1.32	-55.30
CCC(C)(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300007606256	0	39	-1.0	-46.29	313.06	4.42	-41.87
CCC(C)(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007606257	0	39	-1.0	-58.29	309.41	6.21	-52.08
CCC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007606258	0	42	-1.0	-51.34	346.08	1.01	-50.33
CCC(C)(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007606259	0	43	-1.0	-54.00	336.44	2.34	-51.66
CCC(C)(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007606260	0	37	-1.0	-59.44	311.86	1.00	-58.44
CCC(C)(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007606261	0	41	-1.0	-61.66	323.16	7.22	-54.44
CCC(C)(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007606262	0	37	-1.0	-45.85	298.05	5.51	-40.34
CCC(C)(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007606263	0	41	-1.0	-46.28	323.57	6.37	-39.91
CCC(C)(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007606264	0	45	-1.0	-45.54	351.50	5.36	-40.18
CCC(C)(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007606265	0	32	-1.0	-44.99	282.87	1.43	-43.56
CCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007606266	0	35	-1.0	-43.41	301.50	3.44	-39.97
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300007606267	0	46	-1.0	-45.03	339.89	5.75	-39.28
CCC(C)(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300007606268	0	34	-1.0	-44.42	284.84	4.07	-40.35
CCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300007606269	0	41	-1.0	-45.34	319.28	3.81	-41.53
CCC(C)(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007606270	0	34	-1.0	-40.07	292.42	4.38	-35.69
CCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007606271	0	36	-1.0	-51.15	309.11	5.95	-45.20
CCC(C)(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007606272	0	36	-1.0	-50.55	298.50	3.93	-46.62
CCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007606273	0	42	-1.0	-47.08	354.87	6.31	-40.77
CCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300007606274	0	37	-1.0	-38.58	311.04	3.71	-34.87
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300007606275	0	35	-1.0	-45.98	285.08	2.33	-43.65
CCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007606276	0	42	-1.0	-44.48	355.37	6.33	-38.15
CCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300007606277	0	46	-1.0	-44.81	371.56	5.26	-39.55
CCC(C)(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300007606278	0	58	-1.0	-56.16	403.24	8.87	-47.29
CCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300007606279	0	47	-1.0	-46.34	363.74	6.23	-40.11
CCC(C)(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007606280	0	34	-1.0	-37.22	307.61	4.84	-32.38
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300007606281	0	41	-1.0	-46.34	322.43	4.86	-41.48
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1)C(=O)[O-]	REAL300007606282	0	47	-1.0	-49.33	369.35	0.61	-48.72
CCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007606283	0	36	-1.0	-37.70	299.63	4.61	-33.09
CCC(C)(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007606284	0	36	-1.0	-41.72	294.60	4.57	-37.15
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(CC)C(=O)[O-]	REAL300007606285	0	39	-1.0	-61.64	312.34	5.95	-55.69
CCC(C)(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300007606286	0	43	-1.0	-45.42	330.56	5.63	-39.79
CCC(C)(NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300007606287	0	41	-1.0	-45.83	326.03	3.47	-42.36
CCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007606288	0	34	-1.0	-40.34	289.38	4.46	-35.88
CCC(C)(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300007606289	0	41	-1.0	-45.03	322.96	3.86	-41.17
CCC(C)(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300007606290	0	47	-1.0	-45.12	360.74	5.24	-39.88
CCC(C)(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007606291	0	45	-1.0	-44.95	344.24	5.17	-39.78
CCC(C)(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300007606292	0	44	-1.0	-45.29	341.78	4.63	-40.66
CCCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300007606293	0	41	-1.0	-45.31	321.67	3.94	-41.37
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300007606294	0	35	-1.0	-45.50	294.88	2.82	-42.68
CCC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007606295	0	35	-1.0	-45.09	304.64	3.10	-41.99
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300007606296	0	38	-1.0	-45.77	298.93	3.01	-42.76
CCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300007606297	0	44	-1.0	-45.26	338.76	4.56	-40.70
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300007606298	0	38	-1.0	-42.69	302.10	3.23	-39.46
CCC(C)(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300007606299	0	42	-1.0	-47.26	334.38	2.45	-44.81
CCC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007606300	0	34	-1.0	-38.75	292.71	4.57	-34.18
CCC(C)(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300007606301	0	39	-1.0	-55.74	299.74	5.89	-49.85
CCC(C)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300007606302	0	40	-1.0	-43.33	333.39	1.46	-41.87
CCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007606303	0	43	-1.0	-55.88	360.27	1.33	-54.55
CCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300007606304	0	39	-1.0	-48.96	326.00	-0.87	-49.83
CCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC)C(=O)[O-]	REAL300007606305	0	39	-1.0	-55.25	311.48	1.88	-53.37
CCC(C)(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007606306	0	34	-1.0	-43.84	295.41	4.56	-39.28
CCC(C)(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300007606307	0	35	-1.0	-43.74	285.08	2.34	-41.40
CCC(C)(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007606308	0	41	-1.0	-47.29	323.61	6.38	-40.91
CCC(C)(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007606309	0	34	-1.0	-36.20	307.81	4.80	-31.40
CCC(C)(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300007606310	0	37	-1.0	-45.81	330.10	3.64	-42.17
CCC(C)(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007606311	0	51	-1.0	-44.86	383.99	6.58	-38.28
CCC(C)(NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300007606312	0	39	-1.0	-50.45	319.26	4.45	-46.00
CCC(C)(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300007606313	0	39	-1.0	-48.40	315.04	0.68	-47.72
CCC(C)(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300007606314	0	41	-1.0	-44.14	309.20	3.92	-40.22
CCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007606315	0	42	-1.0	-55.59	335.39	7.59	-48.00
CCC(C)(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300007606316	0	41	-1.0	-43.53	321.18	4.00	-39.53
CCC(C)(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300007606317	0	39	-1.0	-53.73	301.95	4.58	-49.15
CCC(C)(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007606318	0	36	-1.0	-45.37	295.47	3.82	-41.55
CCC(C)(NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007606319	0	44	-1.0	-48.97	349.23	6.79	-42.18
CCN1C=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007606320	0	36	-1.0	-52.82	303.39	4.25	-48.57
CCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007606321	0	38	-1.0	-46.86	320.33	3.64	-43.22
CCC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007606322	0	45	-1.0	-46.39	360.64	6.23	-40.16
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(CC)C(=O)[O-])=C1	REAL300007606323	0	39	-1.0	-59.40	314.21	4.75	-54.65
CCC(C)(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007606324	0	41	-1.0	-47.91	336.31	4.47	-43.44
CCC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007606325	0	39	-1.0	-52.29	326.68	-0.39	-52.68
CCC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007606326	0	46	-1.0	-50.50	371.25	2.05	-48.45
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C2=CC=CC=C12	REAL300007606327	0	44	-1.0	-46.89	348.26	5.79	-41.10
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)(CC)C(=O)[O-]	REAL300007606328	0	41	-1.0	-45.98	328.02	4.53	-41.45
CCC(C)(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007606329	0	36	-1.0	-57.57	297.60	3.09	-54.48
CCC(C)(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007606330	0	38	-1.0	-47.07	310.96	4.01	-43.06
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300007606331	0	45	-1.0	-47.95	355.65	3.37	-44.58
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300007606332	0	47	-1.0	-45.19	364.67	5.50	-39.69
CCC(C)(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007606333	0	41	-1.0	-56.86	307.85	6.22	-50.64
CCC(C)(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007606334	0	37	-1.0	-44.02	299.42	4.89	-39.13
CCC(C)(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007606335	0	35	-1.0	-42.88	305.83	4.42	-38.46
CCC(C)(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007606336	0	39	-1.0	-52.29	315.58	4.42	-47.87
CCC(C)(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300007606337	0	37	-1.0	-40.08	295.95	-0.58	-40.66
CCC(C)(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007606338	0	36	-1.0	-59.86	299.43	3.65	-56.21
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C(C)=C1	REAL300007606339	0	41	-1.0	-42.65	323.93	4.16	-38.49
CCC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300007606340	0	39	-1.0	-50.38	325.96	-0.89	-51.27
CCC(C)(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007606341	0	35	-1.0	-43.93	292.55	3.26	-40.67
CCC(C)(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300007606342	0	35	-1.0	-45.12	289.65	3.98	-41.14
CCC(C)(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007606343	0	37	-1.0	-40.17	314.75	4.89	-35.28
CCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007606344	0	37	-1.0	-46.08	301.21	2.89	-43.19
CCC(C)(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007606345	0	36	-1.0	-45.78	294.83	3.69	-42.09
CCC(C)(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007606346	0	43	-1.0	-45.98	345.75	4.96	-41.02
CCC(C)(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300007606347	0	37	-1.0	-44.55	303.81	4.50	-40.05
CCC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007606348	0	37	-1.0	-53.30	326.58	4.63	-48.67
CCC(C)(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007606349	0	40	-1.0	-46.77	314.12	4.51	-42.26
CCC(C)(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300007606350	0	39	-1.0	-51.06	317.49	3.21	-47.85
CCC(C)(NS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007606351	0	38	-1.0	-44.04	320.59	3.77	-40.27
CCC(C)(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300007606352	0	38	-1.0	-47.22	304.48	2.68	-44.54
CCC(C)(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007606353	0	42	-1.0	-48.22	335.90	4.45	-43.77
CCC(C)(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007606354	0	34	-1.0	-42.38	288.18	4.25	-38.13
CCC(C)(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007606355	0	43	-1.0	-57.91	346.06	1.46	-56.45
CCC(C)(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007606356	0	38	-1.0	-37.09	320.46	3.58	-33.51
CCC(C)(NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300007606357	0	39	-1.0	-44.49	336.60	3.09	-41.40
CCC(C)(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007606358	0	39	-1.0	-56.64	314.80	4.10	-52.54
CCC(C)(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007606359	0	34	-1.0	-44.25	301.84	4.75	-39.50
CCC(C)(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007606360	0	39	-1.0	-45.67	306.34	3.52	-42.15
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(CC)C(=O)[O-]	REAL300007606361	0	43	-1.0	-52.97	312.17	6.86	-46.11
CCC(C)(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300007606362	0	43	-1.0	-58.90	342.05	2.42	-56.48
CCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007606363	0	42	-1.0	-45.39	356.45	6.36	-39.03
CCC(C)(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007606364	0	37	-1.0	-54.67	320.25	4.57	-50.10
CCC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007606365	0	37	-1.0	-52.98	336.92	5.09	-47.89
CCC(C)(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300007606366	0	40	-1.0	-49.83	326.49	2.04	-47.79
CCC(C)(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007606367	0	34	-1.0	-41.78	290.94	1.74	-40.04
CCC(C)(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007606368	0	34	-1.0	-45.69	275.45	1.62	-44.07
CCC(C)(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007606369	0	39	-1.0	-46.24	303.07	3.54	-42.70
CCC(C)(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300007606370	0	41	-1.0	-46.84	332.30	4.70	-42.14
CCC(C)(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007606371	0	39	-1.0	-54.90	324.94	4.59	-50.31
CCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300007606372	0	36	-1.0	-42.19	293.62	4.15	-38.04
CCC(C)(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300007606373	0	42	-1.0	-50.14	338.13	3.66	-46.48
CCC(C)(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007606374	0	33	-1.0	-45.03	281.33	2.31	-42.72
CCC(C)(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007606375	0	39	-1.0	-47.37	301.96	3.38	-43.99
CCC(C)(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300007606376	0	40	-1.0	-46.92	316.57	5.85	-41.07
CCC(C)(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007606377	0	39	-1.0	-56.41	303.99	3.91	-52.50
CCC(C)(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007606378	0	36	-1.0	-44.26	297.97	3.15	-41.11
CCC(C)(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007606379	0	37	-1.0	-38.05	312.85	5.11	-32.94
CCC(C)(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007606380	0	43	-1.0	-46.52	323.96	3.49	-43.03
CCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007606381	0	33	-1.0	-42.27	284.03	2.06	-40.21
CCC(C)(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300007606382	0	39	-1.0	-52.30	306.90	3.36	-48.94
CCC(C)(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007606383	0	39	-1.0	-40.48	313.63	4.98	-35.50
CCC(C)(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300007606384	0	39	-1.0	-50.46	305.49	6.13	-44.33
CCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300007606385	0	39	-1.0	-62.56	312.56	5.48	-57.08
CCC(C)(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007606386	0	41	-1.0	-40.61	325.63	3.89	-36.72
CCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007606387	0	40	-1.0	-45.06	323.68	4.74	-40.32
CCC(C)(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300007606388	0	39	-1.0	-47.50	308.36	1.52	-45.98
CCC(C)(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300007606389	0	37	-1.0	-43.97	292.57	2.48	-41.49
CCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300007606390	0	35	-1.0	-43.42	294.90	2.83	-40.59
CCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300007606391	0	37	-1.0	-58.79	299.59	4.83	-53.96
CCC(C)(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007606392	0	39	-1.0	-67.36	305.71	5.38	-61.98
CCC(C)(NS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300007606393	0	36	-1.0	-46.30	294.08	0.67	-45.63
CCC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1CC	REAL300007606394	0	43	-1.0	-45.46	327.53	5.58	-39.88
CCC(C)(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007606395	0	39	-1.0	-40.50	306.93	5.35	-35.15
CCC(C)(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300007606396	0	41	-1.0	-60.06	314.92	5.24	-54.82
CCC(C)(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007606397	0	32	-1.0	-39.92	276.62	0.81	-39.11
CCC(C)(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007606398	0	38	-1.0	-46.26	297.75	2.69	-43.57
CCC(C)(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007606399	0	37	-1.0	-60.39	301.52	4.99	-55.40
CCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007606400	0	34	-1.0	-44.44	283.04	2.04	-42.40
CCC(C)(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300007606401	0	37	-1.0	-43.00	296.40	4.32	-38.68
CCC(C)(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007606402	0	38	-1.0	-49.74	305.33	2.66	-47.08
CCC(C)(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007606403	0	44	-1.0	-39.50	352.72	4.72	-34.78
CCC(C)(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007606404	0	35	-1.0	-48.68	295.60	3.27	-45.41
CCC(C)(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007606405	0	33	-1.0	-46.81	289.24	2.55	-44.26
CCC(C)(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007606406	0	34	-1.0	-37.68	291.20	4.31	-33.37
CCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300007606407	0	34	-1.0	-43.09	284.87	4.05	-39.04
CCC(C)(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007606408	0	37	-1.0	-51.88	297.53	3.94	-47.94
CCC(C)(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300007606409	0	40	-1.0	-45.92	336.32	4.44	-41.48
CCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007606410	0	39	-1.0	-45.88	310.25	4.47	-41.41
CCC(C)(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007606411	0	38	-1.0	-52.70	314.47	0.77	-51.93
CCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007606412	0	40	-1.0	-48.57	319.57	3.59	-44.98
CCC(C)(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007606413	0	34	-1.0	-40.40	295.55	4.39	-36.01
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300007606414	0	56	-1.0	-45.16	429.16	7.84	-37.32
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(CC)C(=O)[O-]	REAL300007606415	0	41	-1.0	-42.30	349.63	5.55	-36.75
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(CC)C(=O)[O-])=C1	REAL300007606416	0	44	-1.0	-55.46	343.27	5.23	-50.23
CCC(C)(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300007606417	0	44	-1.0	-39.26	324.93	3.59	-35.67
CCC(C)(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300007606418	0	47	-1.0	-40.74	342.21	3.87	-36.87
CCC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007606419	0	45	-1.0	-46.83	366.84	6.32	-40.51
CCCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1C(C)C	REAL300007606420	0	50	-1.0	-44.97	380.83	6.02	-38.95
CCC1=NC(S(=O)(=O)NC(C)(CC)C(=O)[O-])=CN1CC1CC1	REAL300007606421	0	44	-1.0	-59.34	347.62	5.71	-53.63
CCC(C)(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007606422	0	34	-1.0	-44.01	290.59	2.62	-41.39
CCC(C)(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007606423	0	39	-1.0	-41.27	316.31	5.34	-35.93
CCC(C)(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007606424	0	38	-1.0	-43.13	295.57	2.64	-40.49
CCC(C)(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007606425	0	44	-1.0	-51.47	354.29	5.71	-45.76
CCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007606426	0	34	-1.0	-39.71	291.38	1.63	-38.08
CCC(C)(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007606427	0	42	-1.0	-58.27	352.51	7.63	-50.64
CCC(C)(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007606428	0	41	-1.0	-49.22	322.44	6.50	-42.72
CCC(C)(NS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300007606429	0	51	-1.0	-45.90	404.72	7.88	-38.02
CCC1=CC(S(=O)(=O)NC(C)(CC)C(=O)[O-])=C(C)C=C1OC	REAL300007606430	0	44	-1.0	-43.50	342.79	4.75	-38.75
CCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007606431	0	37	-1.0	-42.49	320.63	4.82	-37.67
CCC(C)(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007606432	1	33	-1.0	-52.69	280.19	2.09	-50.60
CCC(C)(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300007606433	0	40	-1.0	-49.06	305.03	6.10	-42.96
CCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300007606434	0	40	-1.0	-43.83	318.51	1.47	-42.36
CCC(C)(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300007606435	0	35	-1.0	-52.38	287.67	3.49	-48.89
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1C(C)C	REAL300007606436	0	47	-1.0	-45.36	359.33	5.22	-40.14
CCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007606437	0	43	-1.0	-43.94	327.60	5.22	-38.72
CCC(C)(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007606438	0	50	-1.0	-40.37	376.30	7.60	-32.77
CCC(C)(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007606439	0	41	-1.0	-43.06	309.88	2.96	-40.10
CCC(C)(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007606440	0	43	-1.0	-59.41	323.37	3.62	-55.79
CCC(C)(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007606441	0	41	-1.0	-45.83	317.80	3.25	-42.58
CCC(C)(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007606442	0	34	-1.0	-36.65	280.44	1.92	-34.73
CCC(C)(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007606443	0	38	-1.0	-44.26	310.27	3.31	-40.95
C=CCCC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1	REAL300007606444	0	41	-1.0	-45.51	326.66	5.74	-39.77
CCCCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1C(C)C	REAL300007606445	0	53	-1.0	-44.84	402.36	6.79	-38.05
CCC(C)(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007606446	0	35	-1.0	-43.06	302.08	4.87	-38.19
CCCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1C(C)(C)C	REAL300007606447	0	53	-1.0	-45.15	393.48	6.66	-38.49
CCCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1CC	REAL300007606448	0	47	-1.0	-44.70	365.00	5.53	-39.17
CCC(C)(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300007606449	0	37	-1.0	-41.16	296.51	5.13	-36.03
CCC(C)(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007606450	0	37	-1.0	-37.67	311.74	5.00	-32.67
CCC(C)(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007606451	0	35	-1.0	-44.80	299.58	4.77	-40.03
CCC(C)(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007606452	0	47	-1.0	-52.60	368.94	6.19	-46.41
CCC(C)(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007606453	0	36	-1.0	-46.00	290.42	3.64	-42.36
CCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300007606454	0	46	-1.0	-44.30	382.25	6.98	-37.32
CCC(C)(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007606455	0	38	-1.0	-45.68	300.58	2.61	-43.07
CCC(C)(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007606456	0	38	-1.0	-45.82	301.07	2.86	-42.96
CCC(C)(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007606457	0	41	-1.0	-51.07	316.70	4.20	-46.87
CCC(C)(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007606458	0	42	-1.0	-48.61	333.83	1.22	-47.39
CCC(C)(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007606459	0	37	-1.0	-45.02	317.61	4.01	-41.01
CCC(C)(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007606460	0	38	-1.0	-46.16	287.87	3.28	-42.88
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1C(C)C	REAL300007606461	0	56	-1.0	-44.88	423.82	7.58	-37.30
CCC(C)(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300007606462	0	47	-1.0	-57.50	355.39	5.60	-51.90
CCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300007606463	0	41	-1.0	-44.87	328.79	4.61	-40.26
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C=C1C(C)C	REAL300007606464	0	54	-1.0	-47.18	414.81	5.44	-41.74
CCC(C)(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300007606465	0	39	-1.0	-60.03	310.50	4.11	-55.92
CCC(C)(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007606466	0	39	-1.0	-43.79	319.53	2.78	-41.01
CCC(C)(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007606467	0	37	-1.0	-48.29	306.08	3.60	-44.69
CCC(C)(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300007606468	0	36	-1.0	-54.54	292.72	2.33	-52.21
CCC(C)(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007606469	0	35	-1.0	-44.20	313.55	3.90	-40.30
CCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007606470	0	34	-1.0	-46.23	289.32	4.51	-41.72
CCC(C)(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007606471	0	38	-1.0	-46.24	304.52	2.76	-43.48
CCC(C)(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300007606472	0	40	-1.0	-44.08	304.29	5.35	-38.73
CCC(C)(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300007606473	0	39	-1.0	-55.69	310.67	3.31	-52.38
CCC(C)(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007606474	0	44	-1.0	-53.86	342.39	4.36	-49.50
CCC(C)(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300007606475	0	43	-1.0	-52.09	329.97	3.88	-48.21
CCCCN1C=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C(C)=N1	REAL300007606476	0	43	-1.0	-43.31	343.04	3.63	-39.68
CCC(C)(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007606477	0	38	-1.0	-54.44	309.53	3.40	-51.04
CCC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007606478	0	35	-1.0	-46.64	288.66	2.54	-44.10
CCC(C)(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007606479	0	36	-1.0	-51.44	302.70	1.53	-49.91
CCC(C)(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300007606480	0	37	-1.0	-41.35	312.11	5.12	-36.23
CCC(C)(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007606481	0	37	-1.0	-42.08	320.50	4.10	-37.98
CCC(C)(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007606482	0	41	-1.0	-53.89	326.32	3.85	-50.04
CCC(C)(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300007606483	0	49	-1.0	-58.60	366.75	7.51	-51.09
CCC(C)(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007606484	0	37	-1.0	-45.14	321.68	4.89	-40.25
CCC(C)(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007606485	0	41	-1.0	-47.34	324.26	3.54	-43.80
CCC(C)(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007606486	0	35	-1.0	-45.32	286.98	4.14	-41.18
CCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007606487	0	42	-1.0	-43.40	355.44	6.23	-37.17
CCC(C)(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007606488	0	40	-1.0	-57.72	318.76	4.09	-53.63
CCC(C)(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007606489	0	38	-1.0	-43.95	297.32	2.38	-41.57
CCC(C)(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007606490	0	40	-1.0	-48.84	295.14	2.97	-45.87
CCC(C)(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007606491	0	40	-1.0	-46.81	314.86	2.62	-44.19
CCC(C)(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007606492	0	38	-1.0	-52.41	303.51	2.52	-49.89
CCC(C)(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007606493	0	36	-1.0	-42.16	300.40	2.78	-39.38
CCC(C)(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007606494	0	34	-1.0	-41.58	294.48	3.98	-37.60
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(CC)C(=O)[O-])=C1	REAL300007606495	0	42	-1.0	-53.81	333.92	4.98	-48.83
CCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007606496	0	42	-1.0	-44.11	320.29	5.97	-38.14
CCC(C)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007606497	0	37	-1.0	-42.23	314.26	3.99	-38.24
CCC(C)(NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007606498	0	38	-1.0	-44.92	304.98	1.50	-43.42
CCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300007606499	0	41	-1.0	-43.59	345.66	3.73	-39.86
CCC(C)(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007606500	0	31	-1.0	-36.23	268.17	3.35	-32.88
CCC(C)(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007606501	0	41	-1.0	-46.20	318.61	3.59	-42.61
CCC(C)N1N=CC=C1S(=O)(=O)NC(C)(CC)C(=O)[O-]	REAL300007606502	0	40	-1.0	-42.82	310.88	2.82	-40.00
CCC(C)(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007606503	0	45	-1.0	-53.94	352.35	2.59	-51.35
CCC(C)(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007606504	0	37	-1.0	-46.79	303.69	4.55	-42.24
CCC(C)(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007606505	0	35	-1.0	-54.13	290.40	3.05	-51.08
CCC(C)(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007606506	0	42	-1.0	-53.60	321.55	5.53	-48.07
CCOCC1=CC=CC(S(=O)(=O)NC(C)(CC)C(=O)[O-])=C1	REAL300007606507	0	41	-1.0	-47.23	326.35	3.64	-43.59
CCC(C)(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007606508	0	34	-1.0	-45.89	309.80	5.09	-40.80
CCC(C)(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007606509	0	41	-1.0	-43.37	329.51	4.20	-39.17
CCC(C)(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007606510	0	44	-1.0	-45.52	336.79	3.85	-41.67
CCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007606511	0	42	-1.0	-45.17	338.06	5.77	-39.40
CCC(C)(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300007606512	0	37	-1.0	-43.22	307.07	4.72	-38.50
CCC(C)(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300007606513	0	40	-1.0	-47.24	315.77	6.04	-41.20
CCC(C)(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007606514	0	41	-1.0	-55.90	330.38	5.02	-50.88
CCC(C)(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007606515	0	35	-1.0	-43.36	292.18	4.40	-38.96
CCC(C)(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007606516	0	35	-1.0	-42.97	306.65	4.96	-38.01
CCC(C)(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007606517	0	35	-1.0	-42.92	307.06	4.95	-37.97
CCC(C)(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007606518	0	36	-1.0	-38.33	295.13	-2.88	-41.21
CCC(C)(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007606519	0	33	-1.0	-53.70	282.23	2.88	-50.82
CCC(C)(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007606520	0	40	-1.0	-57.73	328.94	3.12	-54.61
CCC(C)(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007606521	0	48	-1.0	-40.09	327.81	5.97	-34.12
CCC(C)(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007606522	0	39	-1.0	-44.96	290.99	3.61	-41.35
CCC(C)(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007606523	0	39	-1.0	-52.37	322.45	-0.01	-52.38
CCC(C)(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007606524	0	44	-1.0	-39.97	325.26	3.39	-36.58
CCC(C)(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007606525	0	35	-1.0	-46.04	298.86	2.13	-43.91
CCC(C)(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007606526	0	41	-1.0	-38.99	332.57	5.94	-33.05
CCC(C)(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007606527	0	40	-1.0	-41.03	306.41	0.51	-40.52
CCC(C)(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007606528	0	44	-1.0	-39.55	319.68	5.16	-34.39
CCC(C)(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007606529	0	35	-1.0	-45.33	294.38	4.40	-40.93
CCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007606530	0	53	-1.0	-43.68	379.17	7.20	-36.48
CCC(C)(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007606531	0	42	-1.0	-41.95	331.77	4.13	-37.82
CCC(C)(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300007606532	0	36	-1.0	-60.55	304.57	1.47	-59.08
CCC(C)(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007606533	0	35	-1.0	-54.01	301.96	4.20	-49.81
CCC(C)(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007606534	0	35	-1.0	-57.59	295.50	3.09	-54.50
CCC(C)(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007606535	0	37	-1.0	-43.99	295.19	2.72	-41.27
CCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300007606536	0	38	-1.0	-49.51	303.06	4.68	-44.83
CCC(C)(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007606537	0	40	-1.0	-43.74	328.19	3.41	-40.33
CCC(C)(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007606538	0	44	-1.0	-56.24	342.54	5.68	-50.56
CCC(C)(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007606539	0	42	-1.0	-59.32	341.32	6.40	-52.92
CCC(C)(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007606540	0	37	-1.0	-43.93	290.28	4.91	-39.02
CCC(C)(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007606541	0	32	-1.0	-42.61	299.60	1.91	-40.70
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)(CC)C(=O)[O-])=C1	REAL300007606542	0	42	-1.0	-54.72	334.48	5.08	-49.64
CCN1C=C(S(=O)(=O)NC(C)(CC)C(=O)[O-])C(C2CC2)=N1	REAL300007606543	0	41	-1.0	-54.27	331.06	4.24	-50.03
CCC(C)(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300007606544	0	35	-1.0	-48.63	290.58	2.43	-46.20
CCC(C)(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007606545	0	37	-1.0	-45.13	311.93	5.70	-39.43
CCC(C)(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007606546	0	41	-1.0	-44.60	340.25	6.85	-37.75
CCC(C)(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007606547	0	30	-1.0	-50.22	280.95	1.91	-48.31
CCC1=CC(S(=O)(=O)NC(C)(CC)C(=O)[O-])=CC=C1Br	REAL300007606548	0	37	-1.0	-42.68	309.51	4.89	-37.79
CCC(C)(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007606549	0	44	-1.0	-42.89	339.65	4.22	-38.67
CCC(C)(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300007606550	0	45	-1.0	-45.32	361.32	3.43	-41.89
CCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007606551	0	37	-1.0	-44.58	316.48	6.04	-38.54
CCC(C)(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007606552	0	39	-1.0	-42.80	301.15	0.60	-42.20
CCC(C)(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300007606553	0	37	-1.0	-45.41	314.16	2.74	-42.67
CCC(C)(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007606554	0	46	-1.0	-45.93	351.59	3.34	-42.59
CCC(C)(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300007606555	0	34	-1.0	-42.65	301.10	0.96	-41.69
CCC(C)(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300007606556	0	37	-1.0	-43.66	296.78	0.38	-43.28
CCC(C)(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300007606557	0	40	-1.0	-46.39	313.36	3.06	-43.33
CCC(C)(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300007606558	0	40	-1.0	-53.32	317.29	3.16	-50.16
CCC(C)(NS(=O)(=O)CC1=NOC(COC)=C1)C(=O)[O-]	REAL300007606559	0	37	-1.0	-43.71	304.98	0.96	-42.75
CCC(C)(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007606560	0	38	-1.0	-45.04	306.31	3.10	-41.94
CCC(C)(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007606561	0	38	-1.0	-46.56	303.55	4.21	-42.35
CCC(C)(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300007606562	0	40	-1.0	-58.60	317.00	3.26	-55.34
CCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300007606563	0	45	-1.0	-44.96	358.06	6.44	-38.52
CCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300007606564	0	38	-1.0	-42.58	304.33	3.74	-38.84
CCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300007606565	0	37	-1.0	-39.89	319.84	1.41	-38.48
CCC(C)(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007606566	0	39	-1.0	-51.12	315.68	4.32	-46.80
CCC(C)(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007606567	0	38	-1.0	-43.66	331.24	4.28	-39.38
CCC(C)(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300007606568	0	44	-1.0	-45.82	346.09	5.12	-40.70
CC(NS(=O)(=O)C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606569	0	35	-1.0	-43.43	288.58	5.49	-37.94
CC(NS(=O)(=O)C1=CC=CC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606570	0	35	-1.0	-47.21	297.59	5.47	-41.74
CC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606571	0	40	-1.0	-56.72	332.35	5.80	-50.92
CC(NS(=O)(=O)C1=CC=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606572	0	32	-1.0	-42.42	280.92	4.59	-37.83
CCC(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606573	0	47	-1.0	-48.13	367.84	7.93	-40.20
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300007606574	0	35	-1.0	-48.91	305.37	5.31	-43.60
CC(NS(=O)(=O)C1=CC=C(Cl)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606575	0	32	-1.0	-40.25	297.96	5.20	-35.05
COC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606576	0	42	-1.0	-51.98	343.74	5.91	-46.07
CC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606577	0	38	-1.0	-45.25	331.77	6.87	-38.38
CC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300007606578	0	39	-1.0	-56.80	336.91	6.05	-50.75
CC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606579	0	41	-1.0	-52.80	351.69	2.93	-49.87
CC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606580	0	39	-1.0	-40.43	334.56	5.30	-35.13
COC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300007606581	0	46	-1.0	-47.72	368.71	5.41	-42.31
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606582	0	38	-1.0	-54.56	322.51	7.23	-47.33
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007606583	0	35	-1.0	-48.08	296.66	3.08	-45.00
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606584	0	41	-1.0	-47.70	322.00	4.32	-43.38
CC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606585	0	51	-1.0	-47.88	391.57	9.18	-38.70
CC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606586	0	41	-1.0	-46.93	333.10	4.67	-42.26
CCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606587	0	41	-1.0	-48.58	333.90	6.85	-41.73
CC(NS(=O)(=O)C1=CC=CC=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300007606588	0	35	-1.0	-56.88	307.16	6.63	-50.25
CC(NS(=O)(=O)C1=CC=CC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606589	0	35	-1.0	-46.78	312.49	6.04	-40.74
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606590	0	40	-1.0	-58.60	322.90	7.67	-50.93
CC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606591	0	41	-1.0	-48.17	354.96	7.54	-40.63
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606592	0	45	-1.0	-57.08	376.03	2.07	-55.01
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606593	0	46	-1.0	-48.27	373.60	7.25	-41.02
CC1=CC(F)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606594	0	38	-1.0	-47.61	317.96	6.10	-41.51
CC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606595	0	41	-1.0	-48.39	338.58	5.96	-42.43
COCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606596	0	42	-1.0	-49.31	346.07	5.14	-44.17
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007606597	0	41	-1.0	-43.94	337.78	3.11	-40.83
CC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606598	0	44	-1.0	-61.68	376.58	3.61	-58.07
CC(NS(=O)(=O)CCCS(C)(=O)=O)(C(=O)[O-])C1=CC=CC=C1	REAL300007606599	0	40	-1.0	-60.99	341.95	1.56	-59.43
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1C	REAL300007606600	0	45	-1.0	-47.37	355.65	6.17	-41.20
CC(NS(=O)(=O)CC1=CC=C(Br)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606601	0	38	-1.0	-47.89	338.28	6.86	-41.03
CC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606602	0	40	-1.0	-48.72	331.93	5.77	-42.95
CC(NS(=O)(=O)CC1=NOC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606603	0	34	-1.0	-48.61	289.11	3.64	-44.97
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=NN1C	REAL300007606604	0	38	-1.0	-47.60	315.09	3.56	-44.04
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=NN1C1=CC=CC=N1	REAL300007606605	0	44	-1.0	-51.02	366.73	6.70	-44.32
CCN1N=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300007606606	0	44	-1.0	-44.77	345.02	5.16	-39.61
CC(C)N1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007606607	0	41	-1.0	-45.29	333.64	4.52	-40.77
CC(C)CN1C=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606608	0	44	-1.0	-65.56	355.66	7.67	-57.89
CC(C)N1C=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606609	0	41	-1.0	-53.25	333.45	5.74	-47.51
CC(C)C1=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CN1	REAL300007606610	0	41	-1.0	-53.94	326.13	4.88	-49.06
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606611	0	47	-1.0	-59.29	344.57	8.55	-50.74
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606612	0	43	-1.0	-52.26	353.67	4.86	-47.40
COC1=CC(Cl)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300007606613	0	43	-1.0	-47.85	365.73	5.23	-42.62
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1Br	REAL300007606614	0	38	-1.0	-43.01	328.07	6.69	-36.32
CC1=C(F)C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606615	0	38	-1.0	-47.57	313.98	6.24	-41.33
CC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300007606616	0	41	-1.0	-56.24	346.12	8.65	-47.59
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606617	0	39	-1.0	-46.87	336.40	5.06	-41.81
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606618	0	50	-1.0	-44.26	384.86	6.71	-37.55
CC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606619	0	38	-1.0	-48.26	325.74	6.34	-41.92
COCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606620	0	46	-1.0	-52.51	377.40	4.97	-47.54
COCCC(C)S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606621	0	41	-1.0	-58.83	324.15	4.37	-54.46
COC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606622	0	39	-1.0	-49.41	328.73	5.32	-44.09
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606623	0	46	-1.0	-53.50	383.34	5.47	-48.03
CC1=NC2=C(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=CC=C2C=C1	REAL300007606624	0	43	-1.0	-58.99	355.38	6.66	-52.33
CC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300007606625	0	43	-1.0	-56.02	356.27	7.32	-48.70
CC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606626	0	46	-1.0	-47.69	366.68	3.85	-43.84
CCCN1C=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606627	0	41	-1.0	-65.42	338.44	7.17	-58.25
CC(NS(=O)(=O)CCOCC1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606628	0	42	-1.0	-44.94	341.23	4.94	-40.00
CC(COC1CCCC1)CS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606629	0	51	-1.0	-41.26	391.56	6.96	-34.30
CCOCC(C)CS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606630	0	44	-1.0	-49.20	349.52	4.79	-44.41
CC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606631	0	43	-1.0	-45.04	346.89	3.17	-41.87
CC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300007606632	0	39	-1.0	-46.77	338.30	5.37	-41.40
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1[N+](=O)[O-]	REAL300007606633	0	41	-1.0	-42.29	344.04	6.26	-36.03
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606634	0	41	-1.0	-53.82	344.86	7.74	-46.08
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606635	0	41	-1.0	-45.20	349.54	7.26	-37.94
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1C(F)(F)F	REAL300007606636	0	41	-1.0	-40.40	342.99	7.01	-33.39
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606637	0	44	-1.0	-48.44	347.60	7.53	-40.91
CCOC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606638	0	42	-1.0	-49.83	342.50	5.62	-44.21
COCCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007606639	0	42	-1.0	-46.95	348.58	2.92	-44.03
CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606640	0	42	-1.0	-51.44	355.90	5.95	-45.49
CC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606641	0	43	-1.0	-42.93	363.66	7.81	-35.12
CC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606642	0	40	-1.0	-49.33	329.76	5.82	-43.51
CC(NS(=O)(=O)CC1=CC=CC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606643	0	38	-1.0	-49.37	338.02	6.86	-42.51
CC(NS(=O)(=O)CC1=CC=CC=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300007606644	0	38	-1.0	-46.12	330.52	6.92	-39.20
CC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606645	0	42	-1.0	-55.18	352.61	3.39	-51.79
CC1=CC(Br)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606646	0	38	-1.0	-47.11	332.86	6.63	-40.48
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606647	0	38	-1.0	-46.97	326.75	6.71	-40.26
COCC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606648	0	42	-1.0	-56.60	337.21	5.99	-50.61
COC1=CC(OC)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300007606649	0	43	-1.0	-49.62	367.81	5.11	-44.51
CC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606650	0	38	-1.0	-48.75	328.59	4.21	-44.54
CC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606651	0	38	-1.0	-49.15	330.93	4.20	-44.95
CC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606652	0	46	-1.0	-45.27	366.20	6.78	-38.49
CC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)(C(=O)[O-])C1=CC=CC=C1	REAL300007606653	0	38	-1.0	-55.59	330.83	5.01	-50.58
CSC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606654	0	39	-1.0	-61.41	326.82	6.98	-54.43
CCC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606655	0	41	-1.0	-48.98	334.11	6.84	-42.14
CCC1=CC=C(CS(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606656	0	44	-1.0	-49.61	359.87	7.68	-41.93
CC(NS(=O)(=O)CCC1=CC=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606657	0	38	-1.0	-48.03	328.71	6.10	-41.93
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606658	0	44	-1.0	-54.51	373.16	3.82	-50.69
CC1=CC=C(CS(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300007606659	0	44	-1.0	-45.99	352.35	7.56	-38.43
CC1=NOC(CS(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606660	0	37	-1.0	-42.14	311.06	4.52	-37.62
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)=CC=C21	REAL300007606661	0	47	-1.0	-46.07	379.21	7.05	-39.02
CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606662	0	42	-1.0	-54.08	356.82	0.27	-53.81
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)OC2=CC=C(F)C=C12	REAL300007606663	0	41	-1.0	-56.35	344.99	7.37	-48.98
CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606664	0	38	-1.0	-43.22	344.41	7.52	-35.70
CC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300007606665	0	38	-1.0	-48.86	346.43	7.41	-41.45
CC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300007606666	0	41	-1.0	-54.23	351.42	8.29	-45.94
CC(NS(=O)(=O)CCC1CCCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606667	0	42	-1.0	-50.09	334.95	4.32	-45.77
CC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606668	0	41	-1.0	-50.55	352.54	7.19	-43.36
CC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606669	0	46	-1.0	-45.59	371.33	6.97	-38.62
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC(C)=C2S1	REAL300007606670	0	44	-1.0	-48.37	363.60	8.42	-39.95
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1N(C)C	REAL300007606671	0	46	-1.0	-44.18	363.15	6.16	-38.02
CC(NS(=O)(=O)C1=C2OCCCN2N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606672	0	40	-1.0	-60.85	328.02	2.76	-58.09
CC(NS(=O)(=O)CCOCC1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606673	0	48	-1.0	-44.94	374.93	6.10	-38.84
COC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300007606674	0	42	-1.0	-46.52	354.13	6.04	-40.48
CC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606675	0	44	-1.0	-60.45	377.42	3.76	-56.69
CSC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300007606676	0	39	-1.0	-42.46	343.74	6.97	-35.49
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606677	0	47	-1.0	-43.35	359.69	5.63	-37.72
CC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606678	0	43	-1.0	-45.05	359.21	4.01	-41.04
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=C12	REAL300007606679	0	42	-1.0	-45.03	352.32	3.06	-41.97
CN1N=CC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)=CN=C21	REAL300007606680	0	40	-1.0	-45.06	332.93	4.61	-40.45
CCC1=CC(CC)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(CC)=C1	REAL300007606681	0	53	-1.0	-54.67	391.65	10.69	-43.98
CC(NS(=O)(=O)C1=CN2CCCCC2=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606682	0	42	-1.0	-54.26	337.43	5.80	-48.46
CC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606683	0	44	-1.0	-67.93	357.44	9.60	-58.33
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1F	REAL300007606684	0	42	-1.0	-47.88	343.93	5.52	-42.36
CC(NS(=O)(=O)CC1(C)CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606685	0	47	-1.0	-48.95	343.18	7.04	-41.91
CC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606686	0	44	-1.0	-57.99	349.93	7.12	-50.87
CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606688	0	43	-1.0	-47.72	358.00	6.69	-41.03
CN1N=NC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606689	0	34	-1.0	-44.89	285.13	1.98	-42.91
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606690	0	42	-1.0	-47.73	361.95	5.58	-42.15
CC1=CC=C(CS(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(F)=C1	REAL300007606691	0	41	-1.0	-48.83	340.39	7.06	-41.77
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606693	0	35	-1.0	-44.44	324.17	5.71	-38.73
CC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606694	0	48	-1.0	-43.85	378.92	8.93	-34.92
CC(C)(C)C1=CC(CS(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=NO1	REAL300007606695	0	46	-1.0	-46.83	372.06	6.36	-40.47
CC(NS(=O)(=O)CCC1CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606696	0	41	-1.0	-42.23	323.76	6.19	-36.04
CC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606697	0	44	-1.0	-57.41	354.51	2.67	-54.74
CC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606698	0	38	-1.0	-46.19	331.30	6.15	-40.04
CC1=C(CCS(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)SC=N1	REAL300007606699	0	40	-1.0	-48.49	342.00	4.73	-43.76
COCC1(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300007606700	0	39	-1.0	-62.28	310.94	4.84	-57.44
CC(NS(=O)(=O)CC12CCC(CC1)C2)(C(=O)[O-])C1=CC=CC=C1	REAL300007606701	0	45	-1.0	-43.51	334.77	7.11	-36.40
COC1=CC=C2C=C(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)CCC2=C1	REAL300007606702	0	47	-1.0	-48.74	376.93	7.16	-41.58
CC(NS(=O)(=O)CCC1CCOC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606703	0	42	-1.0	-42.56	329.48	4.15	-38.41
CC(C)(CCS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)S(C)(=O)=O	REAL300007606704	0	46	-1.0	-60.24	364.75	2.66	-57.58
CC(NS(=O)(=O)CC1CCCCC1(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300007606705	0	44	-1.0	-46.14	339.93	6.87	-39.27
CC(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606706	0	42	-1.0	-58.02	340.76	8.00	-50.02
CN1C=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300007606707	0	35	-1.0	-48.87	294.34	3.01	-45.86
CCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300007606708	0	43	-1.0	-48.76	353.72	7.28	-41.48
CC(NS(=O)(=O)C1=CC=C(Cl)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606709	0	35	-1.0	-45.37	308.28	5.93	-39.44
CC(NS(=O)(=O)C1=CC=C(Br)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606710	0	35	-1.0	-45.20	312.84	6.03	-39.17
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606711	0	37	-1.0	-43.41	319.23	6.08	-37.33
CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606712	0	41	-1.0	-49.09	336.85	7.65	-41.44
CC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606713	0	37	-1.0	-48.76	319.31	6.08	-42.68
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606714	0	40	-1.0	-46.24	338.71	6.91	-39.33
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606715	0	39	-1.0	-48.03	321.04	4.70	-43.33
CC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300007606716	0	37	-1.0	-59.87	310.38	6.83	-53.04
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606717	0	38	-1.0	-49.22	313.30	6.10	-43.12
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606718	0	42	-1.0	-47.48	342.34	5.63	-41.85
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300007606719	0	47	-1.0	-47.81	352.96	8.19	-39.62
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300007606720	0	44	-1.0	-47.76	342.44	7.83	-39.93
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606721	0	50	-1.0	-47.60	386.69	8.58	-39.02
CC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606722	0	38	-1.0	-40.61	327.29	6.49	-34.12
CC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606723	0	38	-1.0	-44.02	309.97	6.16	-37.86
CC(NS(=O)(=O)C=CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606724	0	39	-1.0	-47.84	326.74	6.77	-41.07
CC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300007606725	0	38	-1.0	-57.83	313.00	7.39	-50.44
CC(NS(=O)(=O)C1=CC=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606726	0	35	-1.0	-46.88	307.94	5.92	-40.96
CC(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606727	0	40	-1.0	-49.56	332.77	5.83	-43.73
CC1=CC=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606728	0	41	-1.0	-47.81	331.89	6.92	-40.89
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300007606729	0	41	-1.0	-45.20	326.98	6.70	-38.50
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300007606730	0	41	-1.0	-58.75	327.20	7.39	-51.36
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300007606731	0	41	-1.0	-47.68	344.06	6.25	-41.43
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606732	0	47	-1.0	-48.21	366.92	7.72	-40.49
CC(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606733	0	44	-1.0	-48.33	350.09	7.30	-41.03
CCCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606734	0	44	-1.0	-48.57	355.95	7.63	-40.94
COC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606735	0	39	-1.0	-60.93	319.03	5.64	-55.29
CC(NS(=O)(=O)CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606736	0	38	-1.0	-45.18	314.11	6.36	-38.82
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1Br	REAL300007606737	0	38	-1.0	-41.33	328.01	6.68	-34.65
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CC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606763	0	41	-1.0	-53.86	349.29	3.03	-50.83
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COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300007606801	0	42	-1.0	-57.19	335.26	6.02	-51.17
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CC(NS(=O)(=O)CC1=CC=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300007606803	0	38	-1.0	-47.94	318.98	6.39	-41.55
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606804	0	38	-1.0	-54.49	327.08	7.33	-47.16
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CC(NS(=O)(=O)C1=CSC2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300007606808	0	38	-1.0	-48.93	331.54	6.83	-42.10
CC(NS(=O)(=O)CC1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606809	0	41	-1.0	-42.13	318.30	6.07	-36.06
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1F	REAL300007606810	0	39	-1.0	-42.83	324.23	4.89	-37.94
CC(NS(=O)(=O)C1=CSC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606811	0	32	-1.0	-41.07	279.50	4.44	-36.63
CC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606812	0	45	-1.0	-46.50	362.76	8.92	-37.58
CC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606813	0	38	-1.0	-40.03	347.82	7.40	-32.63
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CC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300007606816	0	46	-1.0	-48.42	375.22	9.53	-38.89
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CC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300007606819	0	40	-1.0	-53.34	330.15	5.99	-47.35
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CC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606822	0	45	-1.0	-45.43	374.83	6.99	-38.44
CC(NS(=O)(=O)C1=CN=C2NC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300007606823	0	38	-1.0	-75.69	319.32	4.90	-70.79
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CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606825	0	43	-1.0	-54.47	361.49	1.99	-52.48
CC(NS(=O)(=O)CC1=CC=CC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606826	0	38	-1.0	-49.96	323.14	6.31	-43.65
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CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606829	0	45	-1.0	-52.17	365.38	6.62	-45.55
CC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606830	0	40	-1.0	-58.78	339.41	5.57	-53.21
CC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606831	0	42	-1.0	-47.71	352.42	6.45	-41.26
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606832	0	49	-1.0	-49.72	398.37	5.87	-43.85
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606833	0	51	-1.0	-47.20	407.39	7.99	-39.21
CC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300007606834	0	45	-1.0	-49.04	347.91	8.08	-40.96
CC(NS(=O)(=O)C1=CC=C2COCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606835	0	40	-1.0	-44.10	324.80	4.83	-39.27
CC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300007606836	0	43	-1.0	-55.64	353.84	6.90	-48.74
CC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606837	0	40	-1.0	-50.24	340.02	5.60	-44.64
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300007606838	0	45	-1.0	-46.89	360.73	6.41	-40.48
CC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300007606839	0	39	-1.0	-59.08	329.47	5.84	-53.24
CSC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606840	0	39	-1.0	-47.54	331.74	6.43	-41.11
CCCCCCCS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606841	0	46	-1.0	-48.28	364.31	7.13	-41.15
CC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606842	0	41	-1.0	-43.41	353.00	7.37	-36.04
CCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)N=C1C	REAL300007606843	0	41	-1.0	-50.63	335.00	5.26	-45.37
CC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300007606844	0	41	-1.0	-52.05	337.00	5.20	-46.85
CC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300007606845	0	40	-1.0	-50.15	330.40	5.89	-44.26
CC(NS(=O)(=O)CC1CCCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606846	0	39	-1.0	-52.20	312.45	3.82	-48.38
CC(NS(=O)(=O)CC1CCCCO1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606847	0	42	-1.0	-44.65	328.11	4.76	-39.89
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1C(F)(F)F	REAL300007606848	0	41	-1.0	-43.12	343.00	7.03	-36.09
CC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606849	0	44	-1.0	-49.81	355.83	7.00	-42.81
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=C12	REAL300007606850	0	43	-1.0	-46.08	357.37	5.07	-41.01
COCC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606851	0	42	-1.0	-44.20	343.64	5.23	-38.97
CC(NS(=O)(=O)C1=C2OC(C)(C)CC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606852	0	46	-1.0	-55.60	372.43	6.65	-48.95
CCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007606853	0	38	-1.0	-47.96	314.91	3.88	-44.08
CC(NS(=O)(=O)CC1=CC=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300007606854	0	38	-1.0	-46.35	327.32	6.81	-39.54
CN1N=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606855	0	35	-1.0	-44.56	292.44	2.98	-41.58
CC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300007606856	0	38	-1.0	-51.03	343.41	7.13	-43.90
CC(NS(=O)(=O)CC1CCOC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606857	0	39	-1.0	-49.65	309.56	3.45	-46.20
CC1CC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)=CC=C2O1	REAL300007606858	0	43	-1.0	-47.45	348.03	6.02	-41.43
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606859	0	47	-1.0	-55.48	346.43	9.22	-46.26
CC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606860	0	41	-1.0	-50.38	359.19	6.20	-44.18
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=C2)=CO1	REAL300007606861	0	44	-1.0	-50.96	368.14	4.49	-46.47
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)=N1	REAL300007606862	0	38	-1.0	-53.49	328.68	4.65	-48.84
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C(C)O1	REAL300007606863	0	38	-1.0	-46.26	315.13	5.08	-41.18
CC1=CSC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606864	0	35	-1.0	-48.06	305.17	5.17	-42.89
CC(NS(=O)(=O)C1=CC2=CC=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606865	0	38	-1.0	-50.86	321.60	6.14	-44.72
CC(NS(=O)(=O)C1=CC=C2OCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606866	0	38	-1.0	-44.78	314.59	4.16	-40.62
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007606867	0	38	-1.0	-45.49	318.06	2.04	-43.45
CC(NS(=O)(=O)C1=CN=C2CCCN12)(C(=O)[O-])C1=CC=CC=C1	REAL300007606868	0	39	-1.0	-48.49	315.60	4.88	-43.61
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)SC=C1	REAL300007606869	0	35	-1.0	-58.50	297.91	5.51	-52.99
CC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606870	0	43	-1.0	-48.48	344.72	6.04	-42.44
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=N2)C=C1	REAL300007606871	0	45	-1.0	-48.15	370.82	7.22	-40.93
CC1CC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)=CC(Cl)=C2O1	REAL300007606872	0	43	-1.0	-47.11	364.79	6.52	-40.59
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1[N+](=O)[O-]	REAL300007606873	0	40	-1.0	-43.51	335.73	6.63	-36.88
CC(NS(=O)(=O)CCCCF)(C(=O)[O-])C1=CC=CC=C1	REAL300007606874	0	37	-1.0	-48.91	306.41	4.92	-43.99
CC1=NN(C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606875	0	38	-1.0	-55.95	314.34	4.16	-51.79
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300007606876	0	35	-1.0	-57.96	295.93	4.91	-53.05
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)N(C)N=C1	REAL300007606877	0	38	-1.0	-43.69	303.07	3.92	-39.77
CC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606878	0	37	-1.0	-46.70	322.97	4.84	-41.86
CN(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606879	0	43	-1.0	-49.74	341.84	5.80	-43.94
CC1=CC2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=C2C=C1	REAL300007606880	0	44	-1.0	-48.65	358.18	8.33	-40.32
COC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)SC=C1	REAL300007606881	0	36	-1.0	-65.65	310.63	4.22	-61.43
CN(C)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606882	0	43	-1.0	-46.08	340.08	5.90	-40.18
CC(NS(=O)(=O)C1=CC=CC2=C1OCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300007606883	0	40	-1.0	-61.32	326.94	5.75	-55.57
CC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300007606884	0	40	-1.0	-47.54	337.29	5.68	-41.86
CC(NS(=O)(=O)C1=CC=C2CCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606885	0	40	-1.0	-45.93	323.71	5.31	-40.62
CC(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606886	0	41	-1.0	-47.80	354.96	7.55	-40.25
CN1CCCC2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=C21	REAL300007606887	0	47	-1.0	-48.10	361.70	6.02	-42.08
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606888	0	37	-1.0	-41.56	323.40	4.72	-36.84
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606889	0	43	-1.0	-65.91	343.59	6.23	-59.68
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606890	0	43	-1.0	-51.85	349.97	7.90	-43.95
CC1=CC=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1[N+](=O)[O-]	REAL300007606891	0	43	-1.0	-43.59	342.50	8.31	-35.28
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300007606892	0	43	-1.0	-46.58	351.96	7.50	-39.08
COC1=CC=C(CCS(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606893	0	45	-1.0	-44.51	364.95	6.44	-38.07
COC1=CN=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606894	0	38	-1.0	-47.18	315.48	2.83	-44.35
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300007606895	0	44	-1.0	-48.68	362.57	7.09	-41.59
CC(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606896	0	42	-1.0	-48.33	340.20	7.52	-40.81
COC1=CC(OC)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606897	0	43	-1.0	-48.06	347.83	4.14	-43.92
CC(NS(=O)(=O)CCC1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606898	0	47	-1.0	-42.50	356.22	7.32	-35.18
CC1=CC2=C(C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)OCO2	REAL300007606899	0	41	-1.0	-46.33	335.67	4.86	-41.47
CC(NS(=O)(=O)C1=C2OC=CC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606900	0	38	-1.0	-60.52	318.62	6.25	-54.27
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1Cl	REAL300007606901	0	39	-1.0	-42.31	334.04	5.37	-36.94
CC(NS(=O)(=O)CCC1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606902	0	44	-1.0	-48.11	343.69	6.62	-41.49
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C2=NC=CC=C2C=C1	REAL300007606903	0	43	-1.0	-55.93	346.70	7.53	-48.40
CCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1CC	REAL300007606904	0	47	-1.0	-44.99	365.57	8.06	-36.93
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606905	0	43	-1.0	-43.17	349.28	7.84	-35.33
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606906	0	45	-1.0	-46.53	344.63	6.84	-39.69
CC1=C(C)SC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606907	0	38	-1.0	-44.59	321.21	5.96	-38.63
CC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)(C(=O)[O-])C1=CC=CC=C1	REAL300007606908	0	36	-1.0	-43.84	316.32	3.15	-40.69
CC1=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300007606909	0	34	-1.0	-46.76	300.33	3.24	-43.52
CCC1=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300007606910	0	37	-1.0	-46.35	321.82	3.99	-42.36
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(N)=NO1	REAL300007606911	0	36	-1.0	-44.07	291.28	2.27	-41.80
CN(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007606912	0	42	-1.0	-48.50	339.27	5.22	-43.28
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300007606913	0	38	-1.0	-48.92	317.71	5.91	-43.01
CC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606914	0	41	-1.0	-58.04	341.99	6.93	-51.11
CC(NS(=O)(=O)C1=CC=CC2=C1OCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300007606915	0	38	-1.0	-58.21	317.23	4.57	-53.64
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC(C)=C1F	REAL300007606916	0	41	-1.0	-45.17	338.00	6.75	-38.42
CC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606917	0	42	-1.0	-53.91	346.99	5.15	-48.76
CC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606918	0	37	-1.0	-61.72	322.08	5.27	-56.45
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007606919	0	37	-1.0	-45.46	305.30	4.31	-41.15
COC(CS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300007606920	0	42	-1.0	-49.09	334.07	4.97	-44.12
CC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606921	0	38	-1.0	-47.93	333.71	6.76	-41.17
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1Cl	REAL300007606922	0	38	-1.0	-41.22	323.98	6.60	-34.62
CC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606923	0	41	-1.0	-55.33	338.15	6.34	-48.99
CC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300007606924	0	43	-1.0	-52.73	345.99	6.75	-45.98
CC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606925	0	42	-1.0	-55.66	356.14	3.27	-52.39
CC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300007606926	0	44	-1.0	-53.59	355.61	5.88	-47.71
CC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300007606927	0	38	-1.0	-48.99	335.83	6.74	-42.25
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606928	0	48	-1.0	-45.94	377.39	7.12	-38.82
COC(CS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300007606929	0	48	-1.0	-48.73	365.27	6.30	-42.43
COC(CS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300007606930	0	51	-1.0	-49.53	381.97	6.62	-42.91
CCOC(CS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1)C1CC1	REAL300007606931	0	45	-1.0	-49.77	357.18	5.83	-43.94
CCC1=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CN1CC1CC1	REAL300007606932	0	48	-1.0	-50.35	383.56	7.23	-43.12
CC(NS(=O)(=O)C1=CN=C(C2CC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606933	0	38	-1.0	-46.96	330.28	4.93	-42.03
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1[N+](=O)[O-]	REAL300007606934	0	43	-1.0	-48.88	359.10	7.81	-41.07
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606935	0	42	-1.0	-53.72	334.21	5.21	-48.51
CC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606936	0	48	-1.0	-45.67	394.14	7.87	-37.80
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606937	0	38	-1.0	-41.40	334.65	4.20	-37.20
CC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)(C(=O)[O-])C1=CC=CC=C1	REAL300007606938	0	45	-1.0	-62.12	356.85	9.28	-52.84
CCC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C(C)C=C1OC	REAL300007606939	0	48	-1.0	-47.10	381.81	7.05	-40.05
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300007606940	1	37	-1.0	-64.57	318.92	5.14	-59.43
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2C=C1	REAL300007606941	0	44	-1.0	-53.87	349.52	8.52	-45.35
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007606942	0	44	-1.0	-44.90	360.07	3.91	-40.99
COC1=C(F)C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606943	0	39	-1.0	-50.82	327.42	5.45	-45.37
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1C(C)C	REAL300007606944	0	51	-1.0	-45.20	398.48	7.77	-37.43
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300007606945	0	47	-1.0	-44.51	366.79	7.76	-36.75
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606946	0	45	-1.0	-43.92	341.72	5.15	-38.77
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C(C)(C)C)=N1	REAL300007606947	0	47	-1.0	-47.52	355.23	6.07	-41.45
CC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606948	0	45	-1.0	-46.91	359.62	5.75	-41.16
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606949	0	38	-1.0	-47.90	320.93	4.89	-43.01
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606950	0	42	-1.0	-47.51	348.51	5.78	-41.73
C=CCCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007606951	0	45	-1.0	-48.62	368.76	8.19	-40.43
CCC1=NN(C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606952	0	41	-1.0	-49.51	340.20	4.39	-45.12
CC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606953	0	39	-1.0	-46.21	343.47	7.29	-38.92
CCCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1CC	REAL300007606954	0	51	-1.0	-44.56	403.09	8.02	-36.54
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606955	0	41	-1.0	-44.55	337.76	7.68	-36.87
CC(NS(=O)(=O)CCCC1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606956	0	41	-1.0	-48.30	331.65	6.34	-41.96
CC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300007606957	0	39	-1.0	-57.22	338.31	7.59	-49.63
CCCC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606958	0	44	-1.0	-59.17	344.21	8.36	-50.81
COC1=NC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606959	0	38	-1.0	-52.03	320.34	2.55	-49.48
CC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300007606960	0	40	-1.0	-54.93	328.36	6.04	-48.89
CC1=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)N1C	REAL300007606961	0	38	-1.0	-48.20	311.98	4.58	-43.62
CC1=CSC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606962	0	38	-1.0	-45.87	315.08	6.16	-39.71
CC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606963	0	42	-1.0	-47.49	336.55	4.74	-42.75
CC(NS(=O)(=O)C1=CC=NN1C1CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606964	0	42	-1.0	-45.45	330.52	5.08	-40.37
CC(NS(=O)(=O)C1=CC=NN1CC1CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606965	0	45	-1.0	-44.73	361.41	5.87	-38.86
CC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606966	0	46	-1.0	-60.02	366.07	3.86	-56.16
CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606967	0	41	-1.0	-47.14	358.68	6.39	-40.75
CC(NS(=O)(=O)C1=CN=C2CCCCN12)(C(=O)[O-])C1=CC=CC=C1	REAL300007606968	0	42	-1.0	-43.15	320.18	5.46	-37.69
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300007606969	0	51	-1.0	-48.45	396.49	7.49	-40.96
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606970	0	45	-1.0	-49.51	368.08	6.80	-42.71
CC1CC2=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)=C2O1	REAL300007606971	0	43	-1.0	-61.57	348.09	6.52	-55.05
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300007606972	0	43	-1.0	-44.49	357.83	5.23	-39.26
CC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300007606973	0	41	-1.0	-46.98	341.92	6.14	-40.84
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606974	0	40	-1.0	-56.34	330.02	5.41	-50.93
CCN1N=NC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606975	0	37	-1.0	-44.97	305.30	2.87	-42.10
CC(NS(=O)(=O)C1=CC2=NON=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606976	0	36	-1.0	-41.11	302.83	4.28	-36.83
CC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606977	0	38	-1.0	-47.52	327.61	7.02	-40.50
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606978	0	42	-1.0	-44.57	345.31	5.24	-39.33
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1F	REAL300007606979	0	44	-1.0	-48.04	348.64	7.73	-40.31
COC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1OC	REAL300007606980	0	43	-1.0	-58.62	348.45	5.64	-52.98
CC(NS(=O)(=O)C1=COC2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300007606981	0	38	-1.0	-55.96	321.00	6.28	-49.68
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2CCCC2)=N1	REAL300007606982	0	48	-1.0	-50.54	383.64	6.25	-44.29
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606983	0	47	-1.0	-54.26	369.42	6.30	-47.96
CCCCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)=N1	REAL300007606984	0	47	-1.0	-55.29	378.87	6.57	-48.72
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2CC2)=N1	REAL300007606985	0	42	-1.0	-49.98	349.84	5.28	-44.70
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606986	0	39	-1.0	-49.15	330.26	4.99	-44.16
CN1N=NC2=C(S(=O)(=O)NC(C)(C(=O)[O-])C3=CC=CC=C3)C=CC=C21	REAL300007606987	0	40	-1.0	-64.64	335.22	4.31	-60.33
CN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2CCC2)=N1	REAL300007606988	0	45	-1.0	-50.37	366.78	5.72	-44.65
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606989	0	53	-1.0	-48.52	404.72	9.29	-39.23
CC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606990	0	45	-1.0	-46.45	362.83	6.07	-40.38
CC(NS(=O)(=O)C1=C(C2CC2)C=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606991	0	39	-1.0	-44.38	327.42	6.77	-37.61
COC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C2=NC=CC=C2C=C1	REAL300007606992	0	44	-1.0	-57.26	353.54	7.09	-50.17
CCCC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300007606993	0	44	-1.0	-48.95	355.61	7.62	-41.33
CN1N=C2CCCC2=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606994	0	42	-1.0	-46.58	330.30	4.80	-41.78
CC1=CC=CC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606995	0	41	-1.0	-55.84	317.49	7.47	-48.37
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300007606996	0	44	-1.0	-53.88	339.38	5.37	-48.51
CC(C)(C)N1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007606997	0	44	-1.0	-46.12	353.36	5.14	-40.98
CC(NS(=O)(=O)C1=CNN=C1C1CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300007606998	0	42	-1.0	-48.84	343.77	4.41	-44.43
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CN=C1C(F)(F)F	REAL300007606999	0	40	-1.0	-43.26	341.94	5.18	-38.08
CC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300007607000	0	38	-1.0	-43.34	336.19	6.47	-36.87
COC1=CC=C(F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607677	0	36	-1.0	-41.05	295.71	4.66	-36.39
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607678	0	43	-1.0	-45.31	348.99	5.86	-39.45
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300007607679	0	43	-1.0	-53.70	358.61	1.94	-51.76
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007607680	0	50	-1.0	-49.42	349.98	6.51	-42.91
CC1=NC2=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=CC=C2C=C1	REAL300007607681	0	40	-1.0	-51.64	321.95	6.31	-45.33
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007607682	0	40	-1.0	-53.73	332.54	6.80	-46.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007607683	0	43	-1.0	-51.10	343.82	3.51	-47.59
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607684	0	46	-1.0	-44.03	380.04	5.79	-38.24
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607685	0	46	-1.0	-43.93	377.04	6.39	-37.54
CCCN1C=NC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607686	0	38	-1.0	-55.10	313.94	5.71	-49.39
COCCOCCOCCS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607687	0	46	-1.0	-47.50	375.91	2.24	-45.26
CC(COC1CCCC1)CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607688	0	48	-1.0	-40.94	368.25	6.27	-34.67
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607689	0	39	-1.0	-48.26	335.11	5.29	-42.97
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007607690	0	40	-1.0	-50.53	324.62	2.74	-47.79
COC1=CC(Br)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607691	0	36	-1.0	-49.14	317.44	4.88	-44.26
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007607692	0	36	-1.0	-39.27	306.27	5.16	-34.11
COC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300007607693	0	38	-1.0	-47.70	322.06	5.72	-41.98
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607694	0	38	-1.0	-48.40	311.21	6.27	-42.13
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607695	0	38	-1.0	-49.98	315.49	6.65	-43.33
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1C(F)(F)F	REAL300007607696	0	38	-1.0	-47.40	321.07	6.46	-40.94
CC(C)C1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607697	0	41	-1.0	-50.40	317.12	7.69	-42.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCCN1CCOCC1	REAL300007607698	0	44	-1.0	-42.32	341.11	1.89	-40.43
CCOC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607699	0	39	-1.0	-52.92	317.89	5.20	-47.72
COCCN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300007607700	0	39	-1.0	-57.22	327.37	3.47	-53.75
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007607701	0	39	-1.0	-49.24	331.77	5.46	-43.78
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1C	REAL300007607702	0	59	-1.0	-51.19	453.94	9.59	-41.60
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007607703	0	40	-1.0	-44.26	340.91	7.07	-37.19
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007607704	0	37	-1.0	-50.35	307.83	5.33	-45.02
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007607705	0	35	-1.0	-41.94	312.30	6.29	-35.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC=C1Br	REAL300007607706	0	35	-1.0	-43.98	307.70	6.23	-37.75
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007607707	0	39	-1.0	-63.19	329.73	3.26	-59.93
CC1=CC(Br)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607708	0	35	-1.0	-39.36	307.83	6.67	-32.69
CC1=C(Br)C=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607709	0	35	-1.0	-51.62	294.22	6.17	-45.45
COCC1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607710	0	39	-1.0	-56.58	308.18	5.53	-51.05
COC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1Br	REAL300007607711	0	36	-1.0	-47.86	316.57	4.93	-42.93
COC1=CC(OC)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300007607712	0	40	-1.0	-41.74	334.34	4.92	-36.82
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007607713	0	35	-1.0	-54.89	310.62	4.03	-50.86
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007607714	0	35	-1.0	-59.71	305.55	4.75	-54.96
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007607715	0	43	-1.0	-45.20	342.57	6.65	-38.55
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007607716	0	35	-1.0	-55.59	303.28	4.08	-51.51
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607717	0	43	-1.0	-64.55	353.13	4.74	-59.81
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607718	0	44	-1.0	-63.68	372.82	5.12	-58.56
CSC1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607719	0	36	-1.0	-56.01	290.44	5.36	-50.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007607720	0	40	-1.0	-53.04	345.58	1.78	-51.26
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607721	0	46	-1.0	-59.69	388.28	3.69	-56.00
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007607722	0	43	-1.0	-57.06	343.91	5.25	-51.81
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1F	REAL300007607723	0	43	-1.0	-51.97	367.05	2.67	-49.30
CCC1=CC=C(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607724	0	41	-1.0	-43.63	334.08	7.09	-36.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=CS1	REAL300007607725	0	35	-1.0	-41.98	302.92	5.51	-36.47
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007607726	0	47	-1.0	-50.85	380.40	5.40	-45.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007607727	0	44	-1.0	-45.85	358.85	5.25	-40.60
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607728	0	41	-1.0	-59.31	348.83	3.38	-55.93
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607729	0	42	-1.0	-61.14	348.99	2.35	-58.79
CC1=CC=C(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300007607730	0	41	-1.0	-44.42	329.42	6.87	-37.55
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Br	REAL300007607731	0	39	-1.0	-50.33	338.31	5.87	-44.46
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C1=CC=CC=C1	REAL300007607732	0	46	-1.0	-51.60	374.71	8.04	-43.56
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007607733	0	36	-1.0	-38.89	315.80	5.38	-33.51
COC1=CC=C(Br)C(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607734	0	39	-1.0	-45.39	337.38	5.51	-39.88
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CCOC(C)(C)C1	REAL300007607735	0	41	-1.0	-55.97	313.66	4.03	-51.94
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007607736	0	46	-1.0	-49.47	379.54	6.92	-42.55
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607737	0	39	-1.0	-53.08	327.66	6.01	-47.07
CC(C)N1N=CC2=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=CC=C21	REAL300007607738	0	44	-1.0	-51.25	357.26	6.52	-44.73
CCS(=O)(=O)NCCS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607739	0	39	-1.0	-49.70	331.29	-0.33	-50.03
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)OC2=CC=C(F)C=C12	REAL300007607740	0	38	-1.0	-49.94	319.37	6.26	-43.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007607741	0	35	-1.0	-48.86	322.18	6.92	-41.94
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC(Cl)=CC=C2S1	REAL300007607742	0	38	-1.0	-49.36	330.94	7.75	-41.61
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007607743	0	35	-1.0	-51.88	310.67	6.55	-45.33
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007607744	0	38	-1.0	-48.64	316.12	7.52	-41.12
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007607745	0	38	-1.0	-59.57	330.15	7.68	-51.89
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007607746	0	43	-1.0	-44.69	348.59	6.27	-38.42
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007607747	0	46	-1.0	-55.14	373.40	8.35	-46.79
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007607748	0	45	-1.0	-64.15	375.71	7.44	-56.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007607749	0	43	-1.0	-47.79	367.25	2.00	-45.79
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC(C)=C2S1	REAL300007607750	0	41	-1.0	-49.85	331.69	7.86	-41.99
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1N(C)C	REAL300007607751	0	43	-1.0	-50.45	341.54	5.62	-44.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007607752	0	38	-1.0	-42.91	328.84	6.87	-36.04
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007607753	0	37	-1.0	-55.00	301.43	1.92	-53.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCOCC1CCCC1	REAL300007607754	0	45	-1.0	-42.60	352.18	5.39	-37.21
COC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300007607755	0	39	-1.0	-50.24	314.14	5.72	-44.52
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007607756	0	41	-1.0	-51.44	351.90	3.16	-48.28
CSC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300007607757	0	36	-1.0	-50.50	321.87	6.43	-44.07
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607758	0	44	-1.0	-52.37	332.04	5.01	-47.36
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007607759	0	40	-1.0	-49.15	337.79	3.52	-45.63
CCC1=NOC2=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C12	REAL300007607760	0	39	-1.0	-43.23	321.81	2.97	-40.26
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007607761	0	43	-1.0	-45.61	357.13	5.11	-40.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007607762	0	37	-1.0	-50.55	310.98	4.08	-46.47
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007607763	0	38	-1.0	-49.89	333.84	7.85	-42.04
CCC1=CC(CC)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(CC)=C1	REAL300007607764	0	50	-1.0	-44.66	362.40	9.09	-35.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007607765	0	39	-1.0	-56.82	311.99	5.03	-51.79
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007607766	0	38	-1.0	-39.84	329.18	3.35	-36.49
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007607767	0	41	-1.0	-62.41	327.35	8.62	-53.79
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1F	REAL300007607768	0	39	-1.0	-45.24	304.70	4.70	-40.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1(C)CCCCC1	REAL300007607769	0	44	-1.0	-60.38	321.32	7.58	-52.80
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007607770	0	41	-1.0	-44.43	328.38	6.32	-38.11
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007607772	0	40	-1.0	-54.98	338.43	7.14	-47.84
COCC1=CC(Cl)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607773	0	39	-1.0	-49.58	338.46	5.19	-44.39
CC1=CC=C(CS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(F)=C1	REAL300007607774	0	38	-1.0	-47.24	317.74	6.38	-40.86
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007607776	0	32	-1.0	-53.62	303.59	6.23	-47.39
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007607777	0	45	-1.0	-42.74	356.00	8.24	-34.50
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007607778	0	43	-1.0	-43.79	349.13	5.69	-38.10
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007607779	0	41	-1.0	-48.19	331.09	2.70	-45.49
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007607780	0	35	-1.0	-49.24	302.82	5.42	-43.82
CC1=C(CCS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)SC=N1	REAL300007607781	0	37	-1.0	-43.52	316.66	4.16	-39.36
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC12CCC(CC1)C2	REAL300007607782	0	42	-1.0	-41.81	319.00	6.90	-34.91
COC1=CC=C2C=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)CCC2=C1	REAL300007607783	0	44	-1.0	-46.48	351.40	6.62	-39.86
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC12CCC(CC1)CC2	REAL300007607784	0	45	-1.0	-55.16	324.66	7.03	-48.13
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007607785	0	43	-1.0	-58.62	340.49	2.05	-56.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1CCCCC1(F)F	REAL300007607786	0	41	-1.0	-51.39	319.65	6.16	-45.23
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007607787	0	39	-1.0	-44.62	318.13	7.05	-37.57
CCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007607788	0	40	-1.0	-49.74	328.80	6.80	-42.94
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007607789	0	32	-1.0	-41.42	284.13	5.43	-35.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007607790	0	32	-1.0	-41.39	288.70	5.54	-35.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007607791	0	34	-1.0	-53.58	297.36	6.57	-47.01
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007607792	0	38	-1.0	-51.98	312.57	7.23	-44.75
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007607793	0	34	-1.0	-50.10	294.76	5.64	-44.46
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607794	0	37	-1.0	-37.06	299.53	5.75	-31.31
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007607795	0	34	-1.0	-78.80	288.64	7.38	-71.42
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607796	0	39	-1.0	-41.37	331.28	6.31	-35.06
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607797	0	39	-1.0	-58.24	320.50	6.12	-52.12
CC1=CC(C)=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1C	REAL300007607798	0	44	-1.0	-49.34	322.99	7.31	-42.03
CC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1	REAL300007607799	0	41	-1.0	-44.63	309.81	6.95	-37.68
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607800	0	47	-1.0	-41.01	347.50	7.40	-33.61
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007607801	0	35	-1.0	-51.07	305.40	5.96	-45.11
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007607802	0	35	-1.0	-66.06	297.08	7.25	-58.81
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007607803	0	32	-1.0	-50.49	283.36	5.47	-45.02
CC(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607804	0	37	-1.0	-47.91	307.88	5.30	-42.61
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007607805	0	38	-1.0	-51.21	322.05	5.72	-45.49
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007607806	0	44	-1.0	-58.25	345.34	8.22	-50.03
CC(C)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607807	0	41	-1.0	-58.39	329.38	7.83	-50.56
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007607808	0	43	-1.0	-49.05	363.73	2.87	-46.18
CCCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607809	0	41	-1.0	-58.48	333.55	8.12	-50.36
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Br	REAL300007607810	0	36	-1.0	-51.07	316.56	4.93	-46.14
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1Br	REAL300007607811	0	35	-1.0	-47.72	306.03	6.16	-41.56
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2)=C1	REAL300007607812	0	46	-1.0	-57.86	379.91	9.45	-48.41
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007607813	0	36	-1.0	-54.40	315.15	5.69	-48.71
CC1=C(C)C(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1C	REAL300007607814	0	47	-1.0	-51.34	337.35	7.77	-43.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007607815	0	41	-1.0	-51.38	329.38	4.93	-46.45
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607816	0	48	-1.0	-55.15	364.37	7.14	-48.01
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007607817	0	37	-1.0	-52.88	311.18	6.20	-46.68
COC1=CC=C(Br)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607818	0	36	-1.0	-41.16	311.39	5.46	-35.70
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607819	0	50	-1.0	-44.21	364.76	8.64	-35.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007607820	0	35	-1.0	-54.78	307.88	6.89	-47.89
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007607821	0	42	-1.0	-51.52	329.35	7.45	-44.07
COC1=CC=C(OC)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607822	0	40	-1.0	-44.79	319.56	4.13	-40.66
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1OC	REAL300007607823	0	40	-1.0	-50.80	325.27	4.19	-46.61
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007607824	0	39	-1.0	-44.30	310.66	7.31	-36.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007607825	0	40	-1.0	-45.48	321.72	7.32	-38.16
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007607826	0	37	-1.0	-43.82	296.95	5.18	-38.64
CC(C)CCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607827	0	47	-1.0	-58.66	372.59	9.41	-49.25
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1OCC	REAL300007607828	0	46	-1.0	-47.04	363.82	6.29	-40.75
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007607829	0	37	-1.0	-45.79	321.60	-0.13	-45.92
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC([N+](=O)[O-])=C1C	REAL300007607830	0	40	-1.0	-49.49	328.05	6.67	-42.82
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1C	REAL300007607831	0	40	-1.0	-37.02	316.13	6.60	-30.42
CC1=CC2=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)=C2N=C1	REAL300007607832	0	40	-1.0	-60.70	320.23	6.73	-53.97
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C([N+](=O)[O-])=C1	REAL300007607833	0	38	-1.0	-73.67	317.63	6.69	-66.98
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607834	0	36	-1.0	-51.34	304.13	5.34	-46.00
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007607835	0	37	-1.0	-58.20	320.90	-0.09	-58.29
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007607836	0	44	-1.0	-55.73	375.55	2.82	-52.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007607837	0	40	-1.0	-60.64	330.78	7.35	-53.29
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007607838	0	41	-1.0	-57.90	321.86	7.06	-50.84
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CN=C12	REAL300007607839	0	40	-1.0	-51.47	313.03	5.80	-45.67
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300007607840	0	40	-1.0	-76.27	327.94	8.61	-67.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007607841	0	43	-1.0	-59.84	364.10	3.87	-55.97
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007607842	0	44	-1.0	-57.12	352.56	4.29	-52.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007607843	0	38	-1.0	-60.19	327.36	2.48	-57.71
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007607844	0	42	-1.0	-63.73	339.12	9.71	-54.02
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)N1CC(C)CC(C)C1	REAL300007607845	0	43	-1.0	-57.77	329.31	6.28	-51.49
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007607846	0	38	-1.0	-47.65	298.89	6.97	-40.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007607847	0	42	-1.0	-46.14	341.59	8.33	-37.81
CC1=CC=C(F)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607848	0	35	-1.0	-37.99	277.93	5.33	-32.66
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007607849	0	46	-1.0	-46.30	352.85	6.85	-39.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007607850	0	33	-1.0	-48.83	288.93	3.12	-45.71
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607851	0	36	-1.0	-41.20	306.83	5.35	-35.85
CCC(C)(C)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607852	0	47	-1.0	-58.17	359.58	8.69	-49.48
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300007607853	0	35	-1.0	-41.45	296.85	6.34	-35.11
CC(C)OC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607854	0	42	-1.0	-57.89	339.00	6.73	-51.16
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007607855	0	35	-1.0	-42.00	307.74	6.18	-35.82
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007607856	0	33	-1.0	-57.19	281.19	3.75	-53.44
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007607857	0	37	-1.0	-68.56	327.78	8.41	-60.15
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007607858	0	37	-1.0	-60.94	299.75	6.09	-54.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007607859	0	43	-1.0	-58.94	374.69	9.33	-49.61
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607860	0	38	-1.0	-49.42	315.61	5.49	-43.93
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1F	REAL300007607861	0	36	-1.0	-51.32	302.26	4.35	-46.97
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1F	REAL300007607862	0	35	-1.0	-41.62	288.10	5.94	-35.68
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007607863	0	43	-1.0	-42.69	373.64	8.29	-34.40
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2)C=C1	REAL300007607864	0	47	-1.0	-44.85	386.40	7.07	-37.78
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C(C)C)=C1	REAL300007607865	0	59	-1.0	-44.34	417.60	10.59	-33.75
CC(C)OC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007607866	0	48	-1.0	-52.15	365.79	7.75	-44.40
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007607867	0	35	-1.0	-41.36	323.11	6.62	-34.74
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007607868	0	42	-1.0	-53.35	326.47	6.15	-47.20
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607869	0	37	-1.0	-48.34	305.57	6.28	-42.06
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607870	0	37	-1.0	-53.21	298.65	6.78	-46.43
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607871	0	40	-1.0	-50.60	321.21	7.16	-43.44
CC(C)CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607872	0	44	-1.0	-58.79	350.29	8.58	-50.21
COCCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607873	0	42	-1.0	-58.75	345.70	6.41	-52.34
COCCN(CCOC)S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607874	0	44	-1.0	-41.65	344.42	2.17	-39.48
CC1=CC=C(Cl)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607875	0	35	-1.0	-37.94	288.28	5.79	-32.15
COC1=C(C)C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300007607876	0	42	-1.0	-49.86	337.85	5.78	-44.08
CC(C)CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607877	0	48	-1.0	-44.15	379.32	7.24	-36.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007607878	0	46	-1.0	-57.77	363.28	8.08	-49.69
CC(C)COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607879	0	45	-1.0	-44.41	360.35	6.63	-37.78
CCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607880	0	42	-1.0	-44.36	340.26	5.94	-38.42
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1Cl	REAL300007607881	0	36	-1.0	-51.08	312.18	4.81	-46.27
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007607882	0	36	-1.0	-49.81	321.82	5.10	-44.71
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300007607883	0	39	-1.0	-51.16	316.22	5.00	-46.16
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1OC(C)C	REAL300007607884	0	45	-1.0	-49.79	355.93	6.61	-43.18
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1	REAL300007607885	0	39	-1.0	-52.81	306.80	4.93	-47.88
COCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607886	0	43	-1.0	-46.71	352.38	4.41	-42.30
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC=C1F	REAL300007607887	0	35	-1.0	-45.22	296.32	5.70	-39.52
CC1=CC(Br)=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607888	0	35	-1.0	-49.77	298.64	6.23	-43.54
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1C	REAL300007607889	0	40	-1.0	-55.16	311.09	7.20	-47.96
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607890	0	41	-1.0	-47.91	332.00	2.60	-45.31
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007607891	0	44	-1.0	-59.96	378.16	3.74	-56.22
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607892	0	40	-1.0	-49.26	344.01	1.08	-48.18
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607893	0	40	-1.0	-58.50	319.85	2.91	-55.59
CC1=NC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)S1	REAL300007607894	0	34	-1.0	-57.80	294.99	4.39	-53.41
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007607895	0	35	-1.0	-50.84	293.91	6.03	-44.81
COC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1F	REAL300007607896	0	36	-1.0	-48.18	302.38	4.33	-43.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007607897	0	42	-1.0	-53.79	340.85	8.37	-45.42
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007607898	0	35	-1.0	-40.15	324.48	6.68	-33.47
CC1=NC(C2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)S2)=CS1	REAL300007607899	0	38	-1.0	-57.07	347.12	6.51	-50.56
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007607900	0	52	-1.0	-57.03	403.75	9.52	-47.51
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607901	0	40	-1.0	-51.35	323.13	6.67	-44.68
CNC(=O)C1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CN1C	REAL300007607902	0	40	-1.0	-53.38	330.65	2.61	-50.77
COC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1	REAL300007607903	0	42	-1.0	-44.97	317.80	5.56	-39.41
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007607904	0	43	-1.0	-51.31	350.75	9.09	-42.22
COC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C	REAL300007607905	0	42	-1.0	-52.89	326.26	5.63	-47.26
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CN=C2C=C1	REAL300007607906	0	40	-1.0	-52.00	311.70	6.06	-45.94
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007607907	0	37	-1.0	-49.25	293.72	5.18	-44.07
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007607908	0	45	-1.0	-55.25	366.50	8.79	-46.46
CCN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300007607909	0	37	-1.0	-53.28	309.58	5.37	-47.91
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007607910	0	39	-1.0	-45.25	338.32	5.60	-39.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007607911	0	46	-1.0	-59.21	380.42	9.19	-50.02
CCC(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607912	0	40	-1.0	-60.46	329.66	6.25	-54.21
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007607913	0	42	-1.0	-47.31	348.16	6.85	-40.46
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007607914	0	35	-1.0	-70.82	290.43	4.65	-66.17
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607915	0	54	-1.0	-42.17	404.87	7.83	-34.34
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007607916	0	40	-1.0	-48.79	341.33	1.64	-47.15
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007607917	0	35	-1.0	-42.29	297.60	5.72	-36.57
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007607918	0	45	-1.0	-47.01	349.60	7.27	-39.74
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607919	0	42	-1.0	-44.98	331.40	6.35	-38.63
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007607920	0	37	-1.0	-53.40	313.46	5.57	-47.83
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007607921	0	39	-1.0	-51.86	327.21	6.08	-45.78
CCOCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607922	0	46	-1.0	-46.71	374.24	5.37	-41.34
CCCCCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607923	0	48	-1.0	-44.32	383.25	7.50	-36.82
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007607924	0	42	-1.0	-59.05	315.71	8.05	-51.00
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007607925	0	38	-1.0	-47.83	315.62	6.75	-41.08
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007607926	0	36	-1.0	-40.75	323.78	6.38	-34.37
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007607927	0	37	-1.0	-50.64	302.49	4.27	-46.37
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007607928	0	40	-1.0	-51.44	330.90	6.20	-45.24
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007607929	0	38	-1.0	-45.00	306.08	1.15	-43.85
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007607930	0	37	-1.0	-48.75	315.69	5.09	-43.66
CCOC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C(C)=C1	REAL300007607931	0	42	-1.0	-51.09	323.48	5.47	-45.62
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607932	0	40	-1.0	-57.88	343.27	1.13	-56.75
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007607933	0	36	-1.0	-52.28	296.66	5.07	-47.21
CSC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607934	0	36	-1.0	-58.18	309.36	6.92	-51.26
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007607935	0	38	-1.0	-42.03	330.07	6.69	-35.34
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607936	0	43	-1.0	-42.38	339.63	6.66	-35.72
CCN1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)N=C1C	REAL300007607937	0	38	-1.0	-60.90	312.91	6.12	-54.78
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007607938	0	38	-1.0	-54.57	299.83	4.52	-50.05
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007607939	0	37	-1.0	-45.20	294.45	5.11	-40.09
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007607940	0	44	-1.0	-46.91	361.13	6.89	-40.02
CC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300007607941	0	38	-1.0	-48.93	321.07	6.48	-42.45
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007607942	0	38	-1.0	-50.36	339.45	5.71	-44.65
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007607943	0	41	-1.0	-53.06	331.45	6.55	-46.51
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C12	REAL300007607944	0	40	-1.0	-49.03	332.97	4.69	-44.34
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607945	0	39	-1.0	-45.69	336.09	5.51	-40.18
COCC1=CC=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607946	0	39	-1.0	-53.22	321.70	4.68	-48.54
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007607947	0	43	-1.0	-49.86	341.05	6.40	-43.46
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007607948	0	35	-1.0	-44.17	304.49	6.11	-38.06
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007607949	0	44	-1.0	-69.92	365.76	4.40	-65.52
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007607950	0	39	-1.0	-41.46	337.00	5.47	-35.99
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007607951	0	40	-1.0	-54.99	328.24	6.39	-48.60
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007607952	0	35	-1.0	-45.91	318.23	6.54	-39.37
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300007607953	0	40	-1.0	-50.21	323.71	5.57	-44.64
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607954	0	44	-1.0	-44.16	318.15	7.72	-36.44
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607955	0	44	-1.0	-41.46	341.98	3.48	-37.98
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007607956	0	43	-1.0	-45.90	373.64	8.29	-37.61
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007607957	0	38	-1.0	-54.71	333.06	5.64	-49.07
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007607958	0	38	-1.0	-49.98	349.77	6.16	-43.82
CC1=NC(C2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2)=CO1	REAL300007607959	0	41	-1.0	-63.23	345.59	4.96	-58.27
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007607960	0	35	-1.0	-55.68	292.19	3.48	-52.20
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007607961	0	35	-1.0	-52.47	296.41	5.35	-47.12
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007607962	0	35	-1.0	-49.31	292.69	3.61	-45.70
COC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300007607963	0	35	-1.0	-41.70	287.75	1.95	-39.75
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007607964	0	40	-1.0	-44.91	318.83	6.02	-38.89
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007607965	0	39	-1.0	-60.26	316.51	7.95	-52.31
CC1=CC=C(N2C=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=N2)C=C1	REAL300007607966	0	42	-1.0	-51.53	348.61	6.76	-44.77
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007607967	0	40	-1.0	-48.56	340.41	6.07	-42.49
CC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300007607968	0	37	-1.0	-46.42	310.73	6.12	-40.30
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=N1	REAL300007607969	0	43	-1.0	-53.61	354.39	5.71	-47.90
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007607970	0	34	-1.0	-46.30	297.15	4.75	-41.55
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300007607971	0	40	-1.0	-46.81	319.92	5.34	-41.47
CC1=CC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2C=C1	REAL300007607972	0	41	-1.0	-51.83	334.46	7.92	-43.91
COC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)SC=C1	REAL300007607973	0	33	-1.0	-56.16	287.00	3.96	-52.20
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300007607974	0	40	-1.0	-52.50	318.12	5.35	-47.15
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007607975	0	37	-1.0	-49.44	304.17	4.87	-44.57
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007607976	0	37	-1.0	-48.60	314.54	4.97	-43.63
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007607977	0	37	-1.0	-53.72	302.45	4.79	-48.93
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007607978	0	38	-1.0	-41.86	329.24	6.96	-34.90
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007607979	0	44	-1.0	-52.79	340.76	5.50	-47.29
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007607980	0	34	-1.0	-46.19	302.12	4.27	-41.92
COC1=CC=CC(OC)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607981	0	40	-1.0	-51.90	321.13	5.43	-46.47
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607982	0	40	-1.0	-41.75	313.08	7.05	-34.70
CC1=CC=C(C)C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1[N+](=O)[O-]	REAL300007607983	0	40	-1.0	-62.59	318.77	7.77	-54.82
CC1=CC(C)=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007607984	0	40	-1.0	-37.29	314.10	6.52	-30.77
COC1=CC=C(CCS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607985	0	42	-1.0	-44.06	342.01	5.73	-38.33
COC1=CN=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607986	0	35	-1.0	-49.69	291.23	2.42	-47.27
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007607987	0	41	-1.0	-57.58	340.61	7.57	-50.01
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007607988	0	39	-1.0	-44.57	316.63	7.01	-37.56
COC1=CC(OC)=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=C1	REAL300007607989	0	40	-1.0	-52.26	325.52	3.59	-48.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)CCC1CCCCC1	REAL300007607990	0	44	-1.0	-41.33	333.29	6.62	-34.71
CC1=CC=C(CCS(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1	REAL300007607991	0	41	-1.0	-43.02	333.92	7.12	-35.90
CC1=CC2=C(C=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1)OCO2	REAL300007607992	0	38	-1.0	-59.05	303.21	4.96	-54.09
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007607993	0	35	-1.0	-48.37	292.99	5.05	-43.32
COC1=CC(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)=CC=C1Cl	REAL300007607994	0	36	-1.0	-48.00	312.18	4.81	-43.19
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007607995	0	38	-1.0	-56.18	314.92	6.30	-49.88
CC1=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300007607996	0	40	-1.0	-59.81	314.44	6.46	-53.35
CC1=NC2=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C3CC3)C=C2O1	REAL300007607997	0	37	-1.0	-50.94	310.18	2.64	-48.30
CCC1=CC=C(S(=O)(=O)N(C(C)C(=O)[O-])C2CC2)C=C1CC	REAL300007607998	0	44	-1.0	-44.22	342.17	7.96	-36.26
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007607999	0	40	-1.0	-40.62	316.26	6.93	-33.69
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C(C)C(=O)[O-])C1CC1	REAL300007608000	0	42	-1.0	-54.33	325.40	6.50	-47.83
COC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608269	0	38	-1.0	-48.67	312.00	3.50	-45.17
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608270	0	45	-1.0	-51.50	366.24	3.77	-47.73
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300007608271	0	45	-1.0	-52.89	366.21	0.61	-52.28
CC1=NC2=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CC=C2C=C1	REAL300007608272	0	42	-1.0	-54.68	337.83	4.95	-49.73
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007608273	0	42	-1.0	-55.48	341.24	5.74	-49.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007608274	0	45	-1.0	-48.70	351.43	2.09	-46.61
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608275	0	48	-1.0	-50.69	398.98	4.85	-45.84
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608276	0	48	-1.0	-51.32	392.82	4.93	-46.39
CCCN1C=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608277	0	40	-1.0	-51.96	323.68	4.98	-46.98
CC(COC1CCCC1)CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608278	0	50	-1.0	-50.98	376.19	5.21	-45.77
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608279	0	41	-1.0	-47.01	343.64	3.97	-43.04
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007608280	0	42	-1.0	-49.48	332.65	1.41	-48.07
COC1=CC(Br)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608281	0	38	-1.0	-46.80	325.42	3.60	-43.20
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007608282	0	38	-1.0	-47.88	321.39	3.87	-44.01
COC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007608283	0	40	-1.0	-49.39	330.92	4.41	-44.98
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608284	0	40	-1.0	-45.83	331.36	5.63	-40.20
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608285	0	40	-1.0	-46.37	330.39	5.49	-40.88
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1C(F)(F)F	REAL300007608286	0	40	-1.0	-46.12	328.61	5.15	-40.97
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608287	0	43	-1.0	-47.20	329.76	5.79	-41.41
CCOC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608288	0	41	-1.0	-49.22	327.19	3.97	-45.25
COCCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300007608289	0	41	-1.0	-49.92	334.36	1.27	-48.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007608290	0	41	-1.0	-52.20	339.01	4.22	-47.98
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007608291	0	42	-1.0	-55.41	349.37	5.99	-49.42
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007608292	0	39	-1.0	-50.10	315.76	4.03	-46.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007608293	0	37	-1.0	-51.64	320.95	5.15	-46.49
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300007608294	0	37	-1.0	-49.47	316.05	5.05	-44.42
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007608295	0	41	-1.0	-59.79	339.16	1.52	-58.27
CC1=CC(Br)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608296	0	37	-1.0	-46.01	318.13	4.94	-41.07
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608297	0	37	-1.0	-46.43	309.61	5.02	-41.41
COCC1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608298	0	41	-1.0	-47.18	322.50	3.82	-43.36
COC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1Br	REAL300007608299	0	38	-1.0	-46.92	324.56	3.64	-43.28
COC1=CC(OC)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300007608300	0	42	-1.0	-49.26	350.86	3.38	-45.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007608301	0	37	-1.0	-53.21	318.58	2.71	-50.50
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007608302	0	37	-1.0	-51.43	312.22	2.44	-48.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007608303	0	45	-1.0	-47.87	352.09	4.92	-42.95
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007608304	0	37	-1.0	-52.05	317.19	2.89	-49.16
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608305	0	46	-1.0	-54.22	379.23	2.88	-51.34
CSC1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608306	0	38	-1.0	-49.80	312.18	4.84	-44.96
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007608307	0	42	-1.0	-51.35	352.60	0.37	-50.98
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608308	0	45	-1.0	-58.54	355.50	3.61	-54.93
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300007608309	0	45	-1.0	-50.29	374.48	1.33	-48.96
CCC1=CC=C(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608310	0	43	-1.0	-49.10	342.01	5.94	-43.16
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CS1	REAL300007608311	0	37	-1.0	-47.98	310.84	4.37	-43.61
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007608312	0	49	-1.0	-50.83	387.93	4.09	-46.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007608313	0	46	-1.0	-52.80	366.58	3.68	-49.12
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608314	0	43	-1.0	-56.49	356.92	2.05	-54.44
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608315	0	44	-1.0	-56.29	366.29	0.95	-55.34
CC1=CC=C(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300007608316	0	43	-1.0	-51.94	338.07	5.74	-46.20
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Br	REAL300007608317	0	41	-1.0	-47.52	345.94	4.54	-42.98
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007608318	0	48	-1.0	-49.71	382.84	6.73	-42.98
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007608319	0	38	-1.0	-47.70	331.72	4.32	-43.38
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608320	0	41	-1.0	-50.15	346.69	4.46	-45.69
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2S1	REAL300007608321	0	48	-1.0	-48.33	388.53	5.61	-42.72
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608322	0	41	-1.0	-48.80	344.92	4.72	-44.08
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300007608323	0	46	-1.0	-49.55	365.48	5.22	-44.33
CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608324	0	41	-1.0	-58.47	339.74	-1.43	-59.90
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007608325	0	40	-1.0	-47.01	329.31	5.24	-41.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007608326	0	37	-1.0	-46.58	329.84	5.53	-41.05
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007608327	0	40	-1.0	-47.55	340.02	6.40	-41.15
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007608328	0	37	-1.0	-48.33	329.61	5.64	-42.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007608329	0	40	-1.0	-51.43	333.59	6.57	-44.86
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007608330	0	40	-1.0	-48.68	336.43	5.46	-43.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007608331	0	45	-1.0	-50.69	356.51	5.11	-45.58
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007608332	0	48	-1.0	-48.61	391.59	7.06	-41.55
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608333	0	47	-1.0	-54.37	381.96	5.19	-49.18
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007608334	0	45	-1.0	-55.21	375.37	0.85	-54.36
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007608335	0	43	-1.0	-47.65	343.52	6.52	-41.13
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1N(C)C	REAL300007608336	0	45	-1.0	-47.22	350.29	4.33	-42.89
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007608337	0	40	-1.0	-49.23	338.08	5.83	-43.40
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007608338	0	39	-1.0	-51.26	314.20	0.64	-50.62
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCOCC1CCCC1	REAL300007608339	0	47	-1.0	-47.48	360.10	4.25	-43.23
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300007608340	0	41	-1.0	-47.25	337.18	4.39	-42.86
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007608341	0	43	-1.0	-62.10	360.34	2.05	-60.05
CSC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300007608342	0	38	-1.0	-47.36	329.85	5.15	-42.21
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608343	0	46	-1.0	-48.43	350.75	4.01	-44.42
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007608344	0	42	-1.0	-50.95	345.83	2.20	-48.75
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C12	REAL300007608345	0	41	-1.0	-49.86	335.84	1.28	-48.58
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007608346	0	45	-1.0	-49.87	371.11	3.41	-46.46
CN1N=CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN=C21	REAL300007608347	0	39	-1.0	-49.73	318.99	2.70	-47.03
CCC1=CC(CC)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(CC)=C1	REAL300007608348	0	52	-1.0	-45.65	374.35	8.31	-37.34
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007608349	0	41	-1.0	-64.04	322.90	4.29	-59.75
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007608350	0	40	-1.0	-47.13	343.16	1.65	-45.48
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007608351	0	43	-1.0	-53.42	341.76	7.51	-45.91
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1F	REAL300007608352	0	41	-1.0	-48.76	326.62	3.94	-44.82
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1(C)CCCCC1	REAL300007608353	0	46	-1.0	-49.89	325.67	5.32	-44.57
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007608354	0	43	-1.0	-48.07	334.82	5.01	-43.06
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007608356	0	42	-1.0	-48.69	343.84	4.83	-43.86
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608357	0	41	-1.0	-46.84	347.37	3.88	-42.96
CC1=CC=C(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C(F)=C1	REAL300007608358	0	40	-1.0	-51.03	325.85	5.21	-45.82
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007608360	0	34	-1.0	-46.12	307.54	3.90	-42.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007608361	0	47	-1.0	-52.31	364.64	7.12	-45.19
CC(C)(C)C1=CC(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])=NO1	REAL300007608362	0	45	-1.0	-53.30	357.82	4.55	-48.75
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007608363	0	43	-1.0	-56.53	337.30	0.94	-55.59
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007608364	0	37	-1.0	-47.20	312.47	4.42	-42.78
CC1=C(CCS(=O)(=O)NC(C)(C)CCC(=O)[O-])SC=N1	REAL300007608365	0	39	-1.0	-49.54	324.14	3.00	-46.54
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300007608366	0	44	-1.0	-50.23	320.43	5.30	-44.93
COC1=CC=C2C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])CCC2=C1	REAL300007608367	0	46	-1.0	-48.64	358.88	5.36	-43.28
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007608368	0	45	-1.0	-59.72	349.14	0.93	-58.79
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1CCCCC1(F)F	REAL300007608369	0	43	-1.0	-53.63	324.25	5.02	-48.61
CC(C)(CCC(=O)[O-])NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007608370	0	41	-1.0	-56.85	326.19	5.83	-51.02
CCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007608371	0	42	-1.0	-51.18	337.11	5.49	-45.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007608372	0	34	-1.0	-46.01	291.36	4.19	-41.82
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007608373	0	34	-1.0	-45.95	295.92	4.30	-41.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007608374	0	36	-1.0	-47.57	303.64	4.33	-43.24
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007608375	0	40	-1.0	-48.47	320.80	5.96	-42.51
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007608376	0	36	-1.0	-51.40	304.05	4.42	-46.98
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608377	0	39	-1.0	-49.31	320.44	5.27	-44.04
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608378	0	38	-1.0	-47.98	304.14	2.97	-45.01
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007608379	0	36	-1.0	-55.89	292.92	5.12	-50.77
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608380	0	41	-1.0	-48.13	348.75	4.98	-43.15
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608381	0	41	-1.0	-47.69	326.77	3.89	-43.80
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1C	REAL300007608382	0	46	-1.0	-46.98	334.98	6.43	-40.55
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1	REAL300007608383	0	43	-1.0	-46.60	327.11	6.13	-40.47
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608384	0	49	-1.0	-46.59	367.35	6.81	-39.78
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007608385	0	37	-1.0	-48.15	314.56	4.75	-43.40
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007608386	0	37	-1.0	-50.37	300.03	5.26	-45.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007608387	0	34	-1.0	-47.37	292.56	4.27	-43.10
CC(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608388	0	39	-1.0	-51.10	317.44	4.16	-46.94
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007608389	0	40	-1.0	-53.43	330.14	4.42	-49.01
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608390	0	46	-1.0	-46.80	351.74	5.98	-40.82
CC(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608391	0	43	-1.0	-46.89	335.64	5.59	-41.30
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608392	0	45	-1.0	-52.16	371.01	1.66	-50.50
CCCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608393	0	43	-1.0	-46.90	339.96	5.88	-41.02
COC1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608394	0	38	-1.0	-50.33	305.47	3.58	-46.75
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Br	REAL300007608395	0	38	-1.0	-47.78	324.54	3.64	-44.14
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1Br	REAL300007608396	0	37	-1.0	-45.83	314.92	4.85	-40.98
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2)=C1	REAL300007608397	0	48	-1.0	-48.33	386.46	7.24	-41.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007608398	0	38	-1.0	-46.02	320.64	3.47	-42.55
CC1=C(C)C(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1C	REAL300007608399	0	49	-1.0	-47.58	348.26	6.88	-40.70
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007608400	0	43	-1.0	-48.63	338.26	3.62	-45.01
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608401	0	50	-1.0	-49.27	381.73	5.77	-43.50
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007608402	0	39	-1.0	-51.33	320.09	4.89	-46.44
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608403	0	38	-1.0	-48.22	326.89	4.05	-44.17
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608404	0	52	-1.0	-46.21	378.07	7.66	-38.55
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007608405	0	37	-1.0	-46.31	313.36	4.67	-41.64
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007608406	0	44	-1.0	-47.56	338.48	6.24	-41.32
COC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608407	0	42	-1.0	-50.58	335.07	2.73	-47.85
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1OC	REAL300007608408	0	42	-1.0	-49.61	334.12	2.87	-46.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007608409	0	41	-1.0	-47.74	320.15	5.57	-42.17
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007608410	0	42	-1.0	-56.15	330.26	6.08	-50.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007608411	0	39	-1.0	-48.27	311.38	3.52	-44.75
CC(C)CCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608412	0	49	-1.0	-46.85	379.02	7.17	-39.68
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1OCC	REAL300007608413	0	48	-1.0	-49.38	377.09	4.72	-44.66
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007608414	0	39	-1.0	-53.41	329.75	-1.38	-54.79
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1C	REAL300007608415	0	42	-1.0	-48.08	336.76	5.76	-42.32
CC1=CC2=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C2N=C1	REAL300007608416	0	42	-1.0	-54.27	338.51	5.06	-49.21
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007608417	0	40	-1.0	-54.21	322.42	4.42	-49.79
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608418	0	38	-1.0	-47.64	321.94	4.06	-43.58
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007608419	0	39	-1.0	-55.42	328.93	-1.41	-56.83
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007608420	0	46	-1.0	-53.21	383.19	1.50	-51.71
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CN=C12	REAL300007608421	0	42	-1.0	-49.58	331.79	4.98	-44.60
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300007608422	0	42	-1.0	-54.09	332.37	6.42	-47.67
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608423	0	45	-1.0	-54.34	370.35	1.63	-52.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007608424	0	46	-1.0	-56.58	361.71	3.14	-53.44
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007608425	0	40	-1.0	-57.08	335.45	1.16	-55.92
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007608426	0	44	-1.0	-49.26	342.64	7.72	-41.54
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007608427	0	40	-1.0	-50.13	317.37	6.16	-43.97
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007608428	0	44	-1.0	-48.42	349.57	7.08	-41.34
CC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608429	0	37	-1.0	-46.77	298.61	4.67	-42.10
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CC=C12	REAL300007608430	0	48	-1.0	-48.50	369.93	5.90	-42.60
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007608431	0	35	-1.0	-52.97	301.82	2.11	-50.86
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608432	0	38	-1.0	-48.34	322.33	3.95	-44.39
COC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608433	0	38	-1.0	-49.27	304.93	2.96	-46.31
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608434	0	49	-1.0	-46.73	365.97	6.45	-40.28
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300007608435	0	37	-1.0	-46.50	310.99	4.75	-41.75
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608436	0	44	-1.0	-47.37	344.57	4.52	-42.85
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300007608437	0	35	-1.0	-53.90	292.99	2.50	-51.40
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007608438	0	39	-1.0	-51.52	331.74	6.11	-45.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007608439	0	39	-1.0	-54.40	317.04	4.37	-50.03
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007608440	0	45	-1.0	-49.94	381.02	7.07	-42.87
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608441	0	40	-1.0	-48.11	333.62	4.14	-43.97
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300007608442	0	38	-1.0	-48.58	310.35	3.05	-45.53
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300007608443	0	37	-1.0	-46.88	302.23	4.37	-42.51
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007608444	0	45	-1.0	-47.17	381.77	7.07	-40.10
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2)C=C1	REAL300007608445	0	49	-1.0	-48.56	393.38	5.83	-42.73
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C(C)C)=C1	REAL300007608446	0	61	-1.0	-45.80	427.75	9.23	-36.57
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300007608447	0	50	-1.0	-49.19	385.16	6.97	-42.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007608448	0	37	-1.0	-48.74	331.03	5.47	-43.27
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300007608449	0	44	-1.0	-49.70	345.21	5.42	-44.28
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608450	0	39	-1.0	-46.79	320.85	5.30	-41.49
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608451	0	39	-1.0	-49.89	314.11	5.01	-44.88
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608452	0	42	-1.0	-48.31	335.30	6.14	-42.17
CC(C)CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608453	0	46	-1.0	-46.84	356.62	6.35	-40.49
COCCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608454	0	44	-1.0	-47.74	352.13	4.17	-43.57
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608455	0	37	-1.0	-46.37	308.93	5.12	-41.25
COC1=C(C)C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300007608456	0	44	-1.0	-47.50	348.34	4.52	-42.98
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608457	0	50	-1.0	-47.30	386.56	6.00	-41.30
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007608458	0	48	-1.0	-47.31	370.74	5.91	-41.40
CC(C)COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608459	0	47	-1.0	-47.41	367.60	5.39	-42.02
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608460	0	44	-1.0	-47.46	347.50	4.70	-42.76
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Cl	REAL300007608461	0	38	-1.0	-47.83	320.14	3.53	-44.30
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007608462	0	38	-1.0	-48.37	329.45	3.77	-44.60
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300007608463	0	41	-1.0	-47.93	324.21	3.72	-44.21
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1OC(C)C	REAL300007608464	0	47	-1.0	-47.61	364.63	5.27	-42.34
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1	REAL300007608465	0	41	-1.0	-47.70	322.09	3.94	-43.76
COCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608466	0	45	-1.0	-49.70	360.39	3.16	-46.54
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1F	REAL300007608467	0	37	-1.0	-51.18	304.42	4.53	-46.65
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608468	0	37	-1.0	-45.57	313.91	5.25	-40.32
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1C	REAL300007608469	0	42	-1.0	-54.86	322.91	6.47	-48.39
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608470	0	43	-1.0	-54.49	352.92	2.13	-52.36
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007608471	0	46	-1.0	-52.22	384.44	1.50	-50.72
CC1=NC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300007608472	0	36	-1.0	-47.43	300.93	2.29	-45.14
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007608473	0	37	-1.0	-47.84	312.82	5.13	-42.71
COC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1F	REAL300007608474	0	38	-1.0	-47.65	310.37	3.05	-44.60
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007608475	0	44	-1.0	-49.42	350.05	7.16	-42.26
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007608476	0	37	-1.0	-50.62	333.05	5.57	-45.05
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S2)=CS1	REAL300007608477	0	40	-1.0	-48.81	353.56	4.16	-44.65
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007608478	0	54	-1.0	-47.32	409.98	7.28	-40.04
CNC(=O)C1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN1C	REAL300007608479	0	42	-1.0	-51.61	338.73	1.34	-50.27
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1	REAL300007608480	0	44	-1.0	-46.97	332.07	4.52	-42.45
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007608481	0	45	-1.0	-49.01	358.83	7.79	-41.22
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300007608482	0	44	-1.0	-47.16	341.12	4.57	-42.59
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300007608483	0	42	-1.0	-49.45	322.65	4.93	-44.52
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007608484	0	39	-1.0	-51.64	312.68	4.35	-47.29
CCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007608485	0	39	-1.0	-56.56	326.08	4.44	-52.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007608486	0	41	-1.0	-49.44	346.33	4.35	-45.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007608487	0	48	-1.0	-48.74	385.89	6.95	-41.79
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608488	0	42	-1.0	-54.94	338.48	4.92	-50.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007608489	0	44	-1.0	-50.97	360.57	5.21	-45.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007608490	0	37	-1.0	-59.77	304.18	2.87	-56.90
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007608491	0	42	-1.0	-55.03	351.21	0.26	-54.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300007608492	0	37	-1.0	-52.22	306.06	4.61	-47.61
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300007608493	0	47	-1.0	-49.35	366.69	6.33	-43.02
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608494	0	44	-1.0	-49.67	348.87	5.04	-44.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007608495	0	39	-1.0	-58.99	323.77	3.83	-55.16
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007608496	0	41	-1.0	-50.86	334.99	4.73	-46.13
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608497	0	48	-1.0	-49.64	382.24	4.12	-45.52
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608498	0	50	-1.0	-47.35	390.49	6.26	-41.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007608499	0	44	-1.0	-47.06	331.32	6.37	-40.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007608500	0	38	-1.0	-46.07	331.03	5.14	-40.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007608501	0	39	-1.0	-47.87	310.61	2.96	-44.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007608502	0	42	-1.0	-55.14	339.01	5.04	-50.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007608503	0	39	-1.0	-53.95	323.02	3.81	-50.14
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1	REAL300007608504	0	44	-1.0	-47.34	343.55	4.83	-42.51
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007608505	0	38	-1.0	-50.13	315.22	3.86	-46.27
CSC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608506	0	38	-1.0	-47.56	314.84	4.70	-42.86
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007608507	0	40	-1.0	-52.55	338.71	5.56	-46.99
CCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])N=C1C	REAL300007608508	0	40	-1.0	-52.86	322.23	3.95	-48.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007608509	0	40	-1.0	-50.37	319.20	3.33	-47.04
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007608510	0	39	-1.0	-49.57	311.66	4.16	-45.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007608511	0	46	-1.0	-50.07	368.63	5.65	-44.42
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(F)(F)F	REAL300007608512	0	40	-1.0	-47.94	328.60	5.16	-42.78
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007608513	0	40	-1.0	-59.42	349.83	5.05	-54.37
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007608514	0	43	-1.0	-49.43	340.72	5.34	-44.09
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C12	REAL300007608515	0	42	-1.0	-49.58	340.95	3.30	-46.28
COCC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608516	0	41	-1.0	-48.89	330.90	3.48	-45.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007608517	0	45	-1.0	-51.79	354.85	5.03	-46.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300007608518	0	37	-1.0	-49.79	312.71	4.94	-44.85
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007608519	0	42	-1.0	-52.71	337.44	4.28	-48.43
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007608520	0	37	-1.0	-50.80	326.83	5.42	-45.38
CC1CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C2O1	REAL300007608521	0	42	-1.0	-48.08	331.64	4.28	-43.80
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608522	0	46	-1.0	-45.90	333.72	6.97	-38.93
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608523	0	46	-1.0	-53.93	364.66	2.65	-51.28
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007608524	0	45	-1.0	-48.96	381.57	7.06	-41.90
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007608525	0	40	-1.0	-50.15	343.54	4.80	-45.35
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007608526	0	40	-1.0	-59.09	360.15	5.50	-53.59
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2)=CO1	REAL300007608527	0	43	-1.0	-52.34	351.19	2.71	-49.63
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007608528	0	37	-1.0	-52.38	315.04	2.51	-49.87
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007608529	0	37	-1.0	-48.96	306.01	4.35	-44.61
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007608530	0	37	-1.0	-48.40	300.68	2.33	-46.07
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300007608531	0	37	-1.0	-47.04	302.60	0.27	-46.77
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCN12	REAL300007608532	0	38	-1.0	-51.91	302.46	2.94	-48.97
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007608533	0	42	-1.0	-48.36	329.54	4.38	-43.98
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N2)C=C1	REAL300007608534	0	44	-1.0	-50.29	356.34	5.41	-44.88
CC1CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(Cl)=C2O1	REAL300007608535	0	42	-1.0	-47.30	349.30	4.77	-42.53
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007608536	0	39	-1.0	-47.36	318.71	4.86	-42.50
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300007608537	0	45	-1.0	-53.02	362.09	4.31	-48.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007608538	0	36	-1.0	-48.18	307.42	3.05	-45.13
CN(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608539	0	42	-1.0	-48.58	328.05	4.08	-44.50
CC1=CC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2C=C1	REAL300007608540	0	43	-1.0	-48.39	342.44	6.57	-41.82
COC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])SC=C1	REAL300007608541	0	35	-1.0	-50.45	294.49	2.46	-47.99
CN(C)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608542	0	42	-1.0	-48.53	327.35	4.15	-44.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007608543	0	39	-1.0	-51.11	313.43	3.58	-47.53
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007608544	0	39	-1.0	-55.95	323.00	3.87	-52.08
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007608545	0	39	-1.0	-48.97	310.43	3.51	-45.46
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007608546	0	40	-1.0	-50.90	337.88	5.84	-45.06
CN1CCCC2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C21	REAL300007608547	0	46	-1.0	-48.32	349.84	4.22	-44.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007608548	0	36	-1.0	-47.58	309.15	2.90	-44.68
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608549	0	42	-1.0	-53.21	329.32	4.12	-49.09
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608550	0	42	-1.0	-48.61	336.41	5.77	-42.84
CC1=CC=C(C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1[N+](=O)[O-]	REAL300007608551	0	42	-1.0	-54.20	329.97	6.86	-47.34
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007608552	0	42	-1.0	-49.01	335.71	5.72	-43.29
COC1=CC=C(CCS(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608553	0	44	-1.0	-52.10	350.65	4.62	-47.48
COC1=CN=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608554	0	37	-1.0	-47.98	298.99	1.14	-46.84
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300007608555	0	43	-1.0	-47.35	347.96	5.35	-42.00
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007608556	0	41	-1.0	-46.87	323.97	5.74	-41.13
COC1=CC(OC)=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608557	0	42	-1.0	-49.29	334.53	2.27	-47.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1CCCCC1	REAL300007608558	0	46	-1.0	-50.14	341.93	5.50	-44.64
CC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-])OCO2	REAL300007608559	0	40	-1.0	-47.66	317.13	3.16	-44.50
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007608560	0	37	-1.0	-51.60	305.07	4.08	-47.52
COC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1Cl	REAL300007608561	0	38	-1.0	-47.02	320.17	3.53	-43.49
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007608562	0	42	-1.0	-53.40	328.38	5.64	-47.76
CCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1CC	REAL300007608563	0	46	-1.0	-47.28	351.22	6.21	-41.07
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608564	0	42	-1.0	-45.96	331.08	6.04	-39.92
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608565	0	44	-1.0	-49.91	337.75	5.60	-44.31
CC1=C(C)SC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608566	0	37	-1.0	-47.02	307.13	4.00	-43.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007608567	0	35	-1.0	-45.79	298.10	1.52	-44.27
CCC1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300007608568	0	36	-1.0	-47.35	305.01	2.34	-45.01
CN(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300007608569	0	41	-1.0	-48.46	323.82	3.45	-45.01
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300007608570	0	37	-1.0	-47.37	304.60	4.12	-43.25
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007608571	0	40	-1.0	-54.52	324.23	5.16	-49.36
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007608572	0	37	-1.0	-50.64	303.61	2.40	-48.24
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(C)=C1F	REAL300007608573	0	40	-1.0	-45.98	321.78	4.97	-41.01
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007608574	0	41	-1.0	-52.67	330.64	3.43	-49.24
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007608575	0	36	-1.0	-52.93	308.47	3.19	-49.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007608576	0	37	-1.0	-48.57	315.85	5.02	-43.55
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1Cl	REAL300007608577	0	37	-1.0	-45.90	310.88	4.76	-41.14
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007608578	0	40	-1.0	-52.74	323.64	4.65	-48.09
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C2)=N1	REAL300007608579	0	43	-1.0	-48.72	361.63	5.13	-43.59
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007608580	0	42	-1.0	-50.32	328.06	4.87	-45.45
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007608581	0	41	-1.0	-54.60	340.57	1.53	-53.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007608582	0	43	-1.0	-51.12	338.82	4.14	-46.98
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007608583	0	37	-1.0	-48.40	319.03	5.02	-43.38
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608584	0	59	-1.0	-47.20	454.99	8.60	-38.60
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608585	0	47	-1.0	-49.11	366.27	5.39	-43.72
COC(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C1CCCC1	REAL300007608586	0	47	-1.0	-48.53	351.58	4.09	-44.44
COC(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C1CCCCC1	REAL300007608587	0	50	-1.0	-49.01	366.36	5.05	-43.96
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007608588	0	48	-1.0	-49.66	392.11	7.03	-42.63
CCOC(CS(=O)(=O)NC(C)(C)CCC(=O)[O-])C1CC1	REAL300007608589	0	44	-1.0	-50.89	341.42	3.95	-46.94
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(C)C	REAL300007608590	0	53	-1.0	-47.23	406.10	6.72	-40.51
CCC1=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN1CC1CC1	REAL300007608591	0	47	-1.0	-52.37	370.00	5.91	-46.46
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007608592	0	37	-1.0	-47.48	314.66	3.23	-44.25
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007608593	0	42	-1.0	-49.92	340.04	6.08	-43.84
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608594	0	41	-1.0	-46.38	317.60	3.69	-42.69
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007608595	0	47	-1.0	-47.68	376.84	6.05	-41.63
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608596	0	37	-1.0	-46.11	316.22	2.23	-43.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007608597	0	45	-1.0	-48.57	375.35	7.81	-40.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007608598	0	44	-1.0	-51.03	342.45	7.19	-43.84
CCC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(C)C=C1OC	REAL300007608599	0	47	-1.0	-46.99	362.75	5.32	-41.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007608600	0	40	-1.0	-46.06	346.63	5.54	-40.52
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=N1	REAL300007608601	1	36	-1.0	-62.33	305.22	2.95	-59.38
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300007608602	0	43	-1.0	-49.74	329.60	6.90	-42.84
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300007608603	0	43	-1.0	-47.40	344.75	2.21	-45.19
COC1=C(F)C=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608604	0	38	-1.0	-49.22	309.83	3.82	-45.40
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(C)C	REAL300007608605	0	50	-1.0	-47.57	384.60	5.92	-41.65
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1F	REAL300007608606	0	46	-1.0	-47.33	352.84	5.94	-41.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007608607	0	53	-1.0	-48.65	400.96	8.31	-40.34
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608608	0	44	-1.0	-46.71	333.87	4.08	-42.63
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C(C)(C)C)=N1	REAL300007608609	0	46	-1.0	-48.38	345.99	3.97	-44.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007608610	0	44	-1.0	-48.26	341.68	3.90	-44.36
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608611	0	37	-1.0	-46.21	305.03	2.67	-43.54
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608612	0	41	-1.0	-50.71	334.96	4.03	-46.68
C=CCCC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608613	0	44	-1.0	-47.06	352.77	6.44	-40.62
CCC1=NN(C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608614	0	40	-1.0	-49.60	321.65	2.67	-46.93
CCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(C)C	REAL300007608615	0	56	-1.0	-47.12	428.35	7.49	-39.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007608616	0	38	-1.0	-55.56	326.62	5.58	-49.98
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(C)(C)C	REAL300007608617	0	56	-1.0	-47.21	418.65	7.39	-39.82
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1CC	REAL300007608618	0	50	-1.0	-47.28	388.72	6.16	-41.12
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608619	0	40	-1.0	-44.82	319.38	5.73	-39.09
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608620	0	40	-1.0	-48.01	336.11	5.70	-42.31
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007608621	0	38	-1.0	-48.89	323.52	5.50	-43.39
CCCC1=CC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608622	0	43	-1.0	-46.51	328.69	6.25	-40.26
COC1=NC=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608623	0	37	-1.0	-50.37	302.92	0.90	-49.47
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608624	0	50	-1.0	-49.75	392.62	6.40	-43.35
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007608625	0	39	-1.0	-52.71	312.14	4.29	-48.42
CC1=CSC(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608626	0	37	-1.0	-46.02	294.12	4.18	-41.84
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007608627	0	41	-1.0	-48.72	324.26	3.23	-45.49
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007608628	0	41	-1.0	-46.82	322.85	3.41	-43.41
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007608629	0	44	-1.0	-46.50	339.83	4.18	-42.32
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007608630	0	45	-1.0	-50.43	352.26	1.71	-48.72
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007608631	0	40	-1.0	-48.80	341.48	4.70	-44.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCCN12	REAL300007608632	0	41	-1.0	-49.33	318.20	3.64	-45.69
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C(C)C	REAL300007608633	0	59	-1.0	-47.12	449.09	8.29	-38.83
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300007608634	0	50	-1.0	-47.25	378.44	5.82	-41.43
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608635	0	44	-1.0	-48.36	350.46	5.11	-43.25
CC1CC2=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C2O1	REAL300007608636	0	42	-1.0	-51.33	333.31	4.31	-47.02
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300007608637	0	42	-1.0	-47.27	343.66	3.39	-43.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007608638	0	40	-1.0	-50.13	329.95	4.37	-45.76
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608639	0	39	-1.0	-56.09	315.71	3.16	-52.93
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007608640	0	35	-1.0	-46.18	289.84	2.44	-43.74
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007608641	0	37	-1.0	-49.32	313.25	5.21	-44.11
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608642	0	41	-1.0	-47.10	325.92	3.44	-43.66
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=C1F	REAL300007608643	0	43	-1.0	-46.86	328.44	6.04	-40.82
COC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1OC	REAL300007608644	0	42	-1.0	-50.53	332.83	3.64	-46.89
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300007608645	0	37	-1.0	-49.55	306.98	4.11	-45.44
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CCCC2)=N1	REAL300007608646	0	47	-1.0	-49.62	365.29	4.55	-45.07
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608647	0	46	-1.0	-48.85	353.63	4.11	-44.74
CCCCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C)=N1	REAL300007608648	0	46	-1.0	-49.25	364.08	4.39	-44.86
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CC2)=N1	REAL300007608649	0	41	-1.0	-50.25	333.84	3.57	-46.68
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007608650	0	38	-1.0	-49.15	314.66	3.24	-45.91
CN1N=NC2=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CC=C21	REAL300007608651	0	39	-1.0	-59.21	321.60	2.20	-57.01
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1Br	REAL300007608652	0	40	-1.0	-46.36	331.60	5.78	-40.58
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007608653	0	40	-1.0	-53.45	343.80	4.79	-48.66
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CCC2)=N1	REAL300007608654	0	44	-1.0	-49.71	349.18	4.06	-45.65
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608655	0	52	-1.0	-46.78	389.56	7.68	-39.10
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007608656	0	40	-1.0	-47.99	347.04	5.62	-42.37
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007608657	0	44	-1.0	-50.23	348.30	4.26	-45.97
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007608658	0	38	-1.0	-47.98	310.83	4.87	-43.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007608659	0	45	-1.0	-49.01	375.75	6.59	-42.42
COC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007608660	0	43	-1.0	-57.86	340.64	4.92	-52.94
CCCC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608661	0	43	-1.0	-47.23	339.85	5.88	-41.35
CN1N=C2CCCC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608662	0	41	-1.0	-48.17	319.34	3.05	-45.12
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608663	0	43	-1.0	-46.85	322.28	3.36	-43.49
CC(C)(C)N1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300007608664	0	43	-1.0	-49.71	338.89	3.33	-46.38
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007608665	0	41	-1.0	-48.97	326.29	2.75	-46.22
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CN=C1C(F)(F)F	REAL300007608666	0	39	-1.0	-47.43	326.86	3.54	-43.89
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007608667	0	37	-1.0	-45.35	320.56	4.73	-40.62
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608668	0	45	-1.0	-54.81	360.44	5.79	-49.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007608669	0	45	-1.0	-47.57	343.38	6.71	-40.86
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007608670	0	40	-1.0	-55.04	338.17	4.69	-50.35
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007608671	0	34	-1.0	-49.08	294.89	4.14	-44.94
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007608672	0	41	-1.0	-47.38	323.73	5.75	-41.63
COC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=CS1	REAL300007608673	0	35	-1.0	-48.87	299.52	2.20	-46.67
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007608674	0	44	-1.0	-46.73	340.37	4.12	-42.61
CCC(C)N1N=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608675	0	43	-1.0	-46.66	334.55	3.44	-43.22
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CCOCC2)=N1	REAL300007608676	0	48	-1.0	-49.79	374.69	2.79	-47.00
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007608677	0	40	-1.0	-49.00	329.04	5.28	-43.72
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007608678	0	38	-1.0	-49.31	314.68	3.24	-46.07
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])S1	REAL300007608679	0	35	-1.0	-47.55	298.70	2.15	-45.40
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NC=CC=C12	REAL300007608680	0	45	-1.0	-53.93	345.65	6.22	-47.71
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(CCF)N=C1	REAL300007608681	0	37	-1.0	-49.03	306.96	2.25	-46.78
CCOCC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608682	0	44	-1.0	-48.87	352.75	4.45	-44.42
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608683	0	44	-1.0	-48.45	354.27	4.81	-43.64
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007608684	0	47	-1.0	-48.13	360.67	4.50	-43.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007608685	0	45	-1.0	-48.28	365.22	6.58	-41.70
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CF	REAL300007608686	0	37	-1.0	-48.94	295.23	4.72	-44.22
CC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC(C)=C1Br	REAL300007608687	0	40	-1.0	-45.86	332.45	5.38	-40.48
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=CC=CC=C12	REAL300007608688	0	43	-1.0	-49.99	334.69	6.59	-43.40
CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007608689	0	44	-1.0	-52.34	353.05	5.23	-47.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007608690	0	38	-1.0	-56.12	316.30	5.13	-50.99
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007608691	0	38	-1.0	-55.48	331.19	5.67	-49.81
CC(C)(CCC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007608692	0	38	-1.0	-55.59	331.18	5.68	-49.91
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007608693	0	39	-1.0	-59.25	319.08	-2.23	-61.48
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007608694	0	37	-1.0	-52.50	301.77	3.84	-48.66
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1CCC(F)(F)CC1	REAL300007608695	0	40	-1.0	-49.36	311.85	4.34	-45.02
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007608696	0	36	-1.0	-50.20	306.12	3.04	-47.16
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCOC1CCOC1	REAL300007608697	0	42	-1.0	-51.60	330.72	1.02	-50.58
CC1=NC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007608698	0	43	-1.0	-51.19	348.99	3.60	-47.59
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007608699	0	51	-1.0	-50.46	352.88	6.70	-43.76
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1CC(C)(C)CO1	REAL300007608700	0	44	-1.0	-52.74	336.86	2.96	-49.78
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007608701	0	37	-1.0	-58.96	306.88	-0.49	-59.45
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007608702	0	42	-1.0	-49.36	314.70	4.27	-45.09
CC(C)(CCC(=O)[O-])NS(=O)(=O)CCCCS(C)(=O)=O	REAL300007608703	0	42	-1.0	-61.32	346.37	0.64	-60.68
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1CCC(C)(C)CO1	REAL300007608704	0	47	-1.0	-49.51	349.22	4.40	-45.11
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007608705	0	44	-1.0	-50.22	346.35	6.14	-44.08
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007608706	0	38	-1.0	-54.29	324.61	2.92	-51.37
CC(C)(CCC(=O)[O-])NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007608707	0	44	-1.0	-53.22	358.28	6.72	-46.50
CC(C)(CCC(=O)[O-])NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007608708	0	43	-1.0	-52.17	328.06	1.63	-50.54
CC(C)(CCC(=O)[O-])NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007608709	0	47	-1.0	-50.21	343.47	5.82	-44.39
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007608710	0	38	-1.0	-47.58	318.84	5.05	-42.53
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007608711	0	56	-1.0	-47.24	404.14	7.83	-39.41
COC1=CC=C(C=C(C)S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608712	0	45	-1.0	-48.82	354.67	4.88	-43.94
COC1=CSC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1OC	REAL300007608713	0	39	-1.0	-48.86	327.45	1.64	-47.22
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007608714	0	38	-1.0	-49.68	325.62	4.56	-45.12
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007608715	0	38	-1.0	-50.28	320.14	3.32	-46.96
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608716	0	40	-1.0	-48.49	317.93	3.45	-45.04
CN1C=CC2=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C21	REAL300007608717	0	41	-1.0	-50.43	329.15	5.43	-45.00
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007608718	0	43	-1.0	-48.50	354.43	4.15	-44.35
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608719	0	47	-1.0	-49.44	367.91	5.98	-43.46
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007608720	0	45	-1.0	-50.18	364.67	6.56	-43.62
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007608721	0	40	-1.0	-53.16	313.48	5.79	-47.37
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007608722	0	35	-1.0	-50.80	318.55	2.60	-48.20
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608723	0	45	-1.0	-49.71	359.51	5.37	-44.34
CCN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C2CC2)=N1	REAL300007608724	0	44	-1.0	-50.04	355.37	4.43	-45.61
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NSN=C2C=C1	REAL300007608725	0	38	-1.0	-51.93	313.26	3.13	-48.80
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007608726	0	40	-1.0	-47.26	337.78	6.41	-40.85
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007608727	0	44	-1.0	-47.06	366.32	7.59	-39.47
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007608728	0	33	-1.0	-45.94	301.08	1.69	-44.25
CCC1=CC(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=CC=C1Br	REAL300007608729	0	40	-1.0	-45.78	333.21	5.52	-40.26
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608730	0	47	-1.0	-46.78	362.80	4.91	-41.87
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CS1	REAL300007608731	0	31	-1.0	-46.15	283.76	3.21	-42.94
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608732	0	48	-1.0	-50.01	382.17	3.94	-46.07
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007608733	0	40	-1.0	-49.09	335.19	6.65	-42.44
CN1N=C2CCOCC2=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608734	0	42	-1.0	-47.58	324.96	1.70	-45.88
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007608735	0	41	-1.0	-48.26	319.57	6.03	-42.23
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007608736	0	49	-1.0	-48.31	377.94	4.11	-44.20
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608737	0	37	-1.0	-47.12	319.81	1.39	-45.73
COC1=NC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1C	REAL300007608738	0	40	-1.0	-47.48	323.27	1.13	-46.35
CC(C)CN1C=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=N1	REAL300007608739	0	43	-1.0	-49.04	341.70	3.65	-45.39
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608740	0	43	-1.0	-49.07	342.28	3.34	-45.73
CC(C)N1N=CC=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608741	0	40	-1.0	-47.06	316.36	2.87	-44.19
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007608742	0	41	-1.0	-46.48	322.21	3.85	-42.63
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007608743	0	41	-1.0	-50.23	326.70	4.84	-45.39
CC1=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=NN1C(C)C	REAL300007608744	0	43	-1.0	-48.50	338.70	3.37	-45.13
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C=C1	REAL300007608745	0	48	-1.0	-48.13	385.12	7.28	-40.85
COC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C(C(F)F)=C1	REAL300007608746	0	41	-1.0	-48.67	325.81	4.27	-44.40
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)CCC(=O)[O-]	REAL300007608747	0	40	-1.0	-46.91	341.94	1.84	-45.07
CC1=CC=C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])C2=NC=CC=C12	REAL300007608748	0	42	-1.0	-54.23	334.87	4.90	-49.33
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007608749	0	38	-1.0	-51.64	311.06	3.66	-47.98
CC(C)(CCC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007608750	0	41	-1.0	-50.97	349.95	4.66	-46.31
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)(C)CCC(=O)[O-])=C1	REAL300007608751	0	47	-1.0	-49.84	366.45	5.72	-44.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)CC)C=C1	REAL300007608752	0	43	-1.0	-53.37	353.74	7.74	-45.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300007608753	0	38	-1.0	-58.71	321.11	5.77	-52.94
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300007608754	0	34	-1.0	-51.80	304.67	6.21	-45.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007608755	0	35	-1.0	-43.65	310.23	5.92	-37.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007608756	0	37	-1.0	-59.11	335.76	2.67	-56.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007608757	0	35	-1.0	-43.80	321.89	4.98	-38.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300007608758	0	42	-1.0	-53.68	342.26	4.80	-48.88
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300007608759	0	34	-1.0	-52.12	309.37	6.53	-45.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007608760	0	47	-1.0	-44.24	377.75	9.00	-35.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007608761	0	37	-1.0	-48.75	320.39	4.34	-44.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300007608762	0	31	-1.0	-45.63	279.41	5.31	-40.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007608763	0	31	-1.0	-43.93	297.21	5.81	-38.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300007608764	0	36	-1.0	-59.63	295.31	6.48	-53.15
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007608765	0	37	-1.0	-55.61	336.82	7.17	-48.44
CCCN(CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007608766	0	41	-1.0	-66.73	354.00	1.50	-65.23
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300007608767	0	42	-1.0	-47.76	358.51	7.03	-40.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007608768	0	37	-1.0	-47.19	316.17	5.55	-41.64
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300007608769	0	38	-1.0	-54.51	330.13	4.88	-49.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)N=C1	REAL300007608770	0	37	-1.0	-50.15	324.04	2.72	-47.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007608771	0	40	-1.0	-66.85	360.09	3.35	-63.50
CCCN(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300007608772	0	36	-1.0	-71.13	319.70	0.97	-70.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300007608773	0	41	-1.0	-53.31	329.21	5.55	-47.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007608774	0	36	-1.0	-56.78	330.74	5.82	-50.96
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007608775	0	34	-1.0	-40.98	318.95	6.52	-34.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007608776	0	36	-1.0	-54.12	315.91	5.53	-48.59
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300007608777	0	48	-1.0	-56.91	413.08	4.34	-52.57
CCCN(CC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007608778	0	41	-1.0	-59.43	343.65	0.61	-58.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300007608779	0	40	-1.0	-51.59	342.15	6.38	-45.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300007608780	0	40	-1.0	-52.68	331.75	5.00	-47.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300007608781	0	40	-1.0	-46.94	340.71	6.14	-40.80
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007608782	0	43	-1.0	-56.33	329.75	7.96	-48.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007608783	0	44	-1.0	-62.68	379.57	8.17	-54.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007608784	0	39	-1.0	-66.26	341.43	4.56	-61.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007608785	0	37	-1.0	-51.56	339.59	6.21	-45.35
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300007608786	0	39	-1.0	-54.66	347.28	5.06	-49.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(Br)C=C1OC	REAL300007608787	0	39	-1.0	-53.89	349.57	5.07	-48.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300007608788	0	34	-1.0	-41.53	315.40	6.39	-35.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007608789	0	37	-1.0	-41.50	314.38	7.20	-34.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007608790	0	36	-1.0	-51.95	331.31	7.18	-44.77
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007608791	0	35	-1.0	-43.82	321.36	4.83	-38.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007608792	0	38	-1.0	-46.96	335.84	6.83	-40.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300007608793	0	46	-1.0	-54.86	364.78	6.05	-48.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007608794	0	34	-1.0	-52.94	307.25	6.02	-46.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300007608795	0	42	-1.0	-58.96	354.77	4.83	-54.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300007608798	0	35	-1.0	-56.31	306.10	5.17	-51.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1	REAL300007608799	0	36	-1.0	-49.84	339.72	6.95	-42.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300007608800	0	42	-1.0	-59.28	359.07	5.46	-53.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300007608801	0	42	-1.0	-49.38	367.76	2.16	-47.22
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007608802	0	49	-1.0	-42.52	362.64	6.86	-35.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300007608803	0	39	-1.0	-53.71	331.05	6.80	-46.91
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007608804	0	39	-1.0	-47.48	338.82	7.06	-40.42
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007608805	0	42	-1.0	-54.36	352.72	3.68	-50.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300007608806	0	45	-1.0	-61.26	393.29	6.42	-54.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300007608807	0	45	-1.0	-60.59	386.96	6.49	-54.10
CCCN(CC(=O)[O-])S(=O)(=O)CCOCCOCCOC	REAL300007608808	0	45	-1.0	-58.48	379.20	2.26	-56.22
CCCN(CC(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300007608809	0	47	-1.0	-40.55	374.71	6.54	-34.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007608810	0	46	-1.0	-46.75	393.32	6.63	-40.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300007608811	0	38	-1.0	-51.13	343.20	5.44	-45.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007608812	0	39	-1.0	-45.91	334.31	2.95	-42.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300007608813	0	35	-1.0	-51.55	325.76	5.07	-46.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007608814	0	35	-1.0	-52.02	315.86	5.44	-46.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300007608815	0	37	-1.0	-42.27	331.42	5.93	-36.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300007608816	0	37	-1.0	-51.47	331.39	7.01	-44.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300007608817	0	37	-1.0	-53.01	317.79	6.41	-46.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300007608818	0	37	-1.0	-40.86	330.33	6.71	-34.15
CCCN(CC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300007608819	0	43	-1.0	-57.85	348.51	2.14	-55.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OCC)=C1	REAL300007608820	0	38	-1.0	-48.91	327.27	5.41	-43.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CCOC)N=C1	REAL300007608821	0	38	-1.0	-54.94	330.90	2.54	-52.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007608822	0	38	-1.0	-58.14	339.42	5.69	-52.45
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CCC)CC(=O)[O-])=C1C	REAL300007608823	0	58	-1.0	-54.15	458.90	9.62	-44.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1	REAL300007608824	0	45	-1.0	-42.93	386.96	3.12	-39.81
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007608825	0	39	-1.0	-58.74	348.30	7.33	-51.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007608826	0	36	-1.0	-54.91	316.16	5.52	-49.39
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007608827	0	34	-1.0	-41.63	318.95	6.51	-35.12
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007608828	0	34	-1.0	-56.44	315.37	6.45	-49.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007608829	0	38	-1.0	-64.21	340.55	3.06	-61.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300007608830	0	34	-1.0	-52.61	317.69	6.43	-46.18
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300007608831	0	34	-1.0	-53.91	309.48	6.52	-47.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300007608832	0	38	-1.0	-55.50	319.71	5.13	-50.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300007608833	0	35	-1.0	-41.85	325.83	5.17	-36.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300007608834	0	39	-1.0	-47.68	344.47	4.94	-42.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007608835	0	34	-1.0	-54.91	315.10	4.00	-50.91
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007608836	0	34	-1.0	-57.65	309.07	3.82	-53.83
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007608837	0	42	-1.0	-53.94	348.59	6.18	-47.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007608838	0	34	-1.0	-58.72	313.57	4.34	-54.38
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC	REAL300007608839	0	42	-1.0	-63.22	350.01	3.97	-59.25
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(I)=C1	REAL300007608840	0	34	-1.0	-41.50	321.26	6.83	-34.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1	REAL300007608841	0	43	-1.0	-57.37	378.73	4.37	-53.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1	REAL300007608842	0	48	-1.0	-57.94	411.73	4.86	-53.08
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300007608843	0	35	-1.0	-46.44	299.13	5.68	-40.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CNS(=O)(=O)CCC)C=C1	REAL300007608844	0	48	-1.0	-62.36	417.96	3.66	-58.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007608845	0	39	-1.0	-44.50	354.84	1.96	-42.54
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1	REAL300007608846	0	45	-1.0	-50.52	411.37	2.83	-47.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC	REAL300007608847	0	46	-1.0	-52.78	393.79	2.71	-50.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C=C1F	REAL300007608848	0	45	-1.0	-49.16	393.27	3.50	-45.66
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300007608849	0	45	-1.0	-55.28	394.21	2.94	-52.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007608850	0	42	-1.0	-74.66	353.88	4.59	-70.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C(F)=C1	REAL300007608851	0	45	-1.0	-43.60	397.81	3.64	-39.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007608852	0	46	-1.0	-46.99	372.40	5.97	-41.02
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300007608853	0	42	-1.0	-43.64	376.31	2.85	-40.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007608854	0	46	-1.0	-42.08	389.64	5.62	-36.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007608855	0	43	-1.0	-44.95	363.10	4.64	-40.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300007608856	0	40	-1.0	-57.97	358.05	3.60	-54.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300007608857	0	41	-1.0	-63.87	360.39	2.63	-61.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(Br)=C1	REAL300007608858	0	38	-1.0	-45.70	347.67	6.08	-39.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300007608859	0	45	-1.0	-45.90	384.08	8.27	-37.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007608860	0	35	-1.0	-51.91	326.18	5.90	-46.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007608861	0	37	-1.0	-52.77	355.53	3.27	-49.50
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300007608862	0	38	-1.0	-57.73	344.79	5.75	-51.98
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007608863	0	45	-1.0	-52.39	388.00	7.11	-45.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300007608864	0	38	-1.0	-56.13	339.17	6.29	-49.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300007608865	0	43	-1.0	-54.27	365.66	6.69	-47.58
CCCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC	REAL300007608866	0	38	-1.0	-63.64	334.58	-0.31	-63.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300007608867	0	37	-1.0	-44.11	327.45	6.47	-37.64
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007608868	0	34	-1.0	-51.86	331.02	7.10	-44.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300007608869	0	37	-1.0	-46.52	339.00	7.95	-38.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007608870	0	34	-1.0	-42.74	313.62	6.50	-36.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007608871	0	37	-1.0	-62.59	333.09	8.09	-54.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007608872	0	37	-1.0	-55.65	336.05	6.93	-48.72
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007608873	0	42	-1.0	-44.90	355.05	6.51	-38.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007608874	0	45	-1.0	-58.80	385.52	8.64	-50.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007608875	0	44	-1.0	-50.36	383.30	6.75	-43.61
CCCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007608876	0	42	-1.0	-47.60	373.91	2.24	-45.36
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300007608877	0	40	-1.0	-45.27	342.13	8.03	-37.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300007608878	0	42	-1.0	-45.90	350.80	5.86	-40.04
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007608879	0	37	-1.0	-42.62	335.34	7.11	-35.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007608880	0	36	-1.0	-50.28	311.19	2.18	-48.10
CCCN(CC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300007608881	0	44	-1.0	-42.94	358.64	5.64	-37.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300007608882	0	38	-1.0	-54.23	337.15	5.83	-48.40
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007608883	0	40	-1.0	-51.09	358.35	3.41	-47.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300007608884	0	35	-1.0	-45.76	331.11	6.66	-39.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(CC)N(C)N=C1CC	REAL300007608885	0	43	-1.0	-44.44	347.46	5.62	-38.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007608886	0	39	-1.0	-51.51	346.19	3.73	-47.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(CC)C2=C1	REAL300007608887	0	38	-1.0	-47.01	337.20	2.90	-44.11
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007608888	0	42	-1.0	-44.57	372.48	5.03	-39.54
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007608889	0	36	-1.0	-44.05	320.27	4.31	-39.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007608890	0	37	-1.0	-52.60	342.12	8.02	-44.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(CC)C=C(CC)C=C1CC	REAL300007608891	0	49	-1.0	-53.91	378.98	9.54	-44.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC	REAL300007608892	1	46	-1.0	-46.69	390.30	2.66	-44.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007608893	0	38	-1.0	-56.43	322.28	5.23	-51.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007608894	0	37	-1.0	-49.97	343.61	3.19	-46.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007608895	0	40	-1.0	-65.09	342.13	8.94	-56.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300007608896	0	38	-1.0	-52.56	318.03	4.94	-47.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007608897	0	40	-1.0	-43.70	328.57	6.36	-37.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007608899	0	39	-1.0	-46.50	345.39	6.46	-40.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300007608900	0	38	-1.0	-53.16	346.79	5.38	-47.78
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300007608901	0	37	-1.0	-60.17	325.33	6.59	-53.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007608903	0	31	-1.0	-38.08	308.63	5.39	-32.69
CCCN(CC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007608904	0	44	-1.0	-57.80	363.58	8.46	-49.34
CCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007608905	0	42	-1.0	-60.09	356.70	5.90	-54.19
CCCN(CC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007608906	0	40	-1.0	-46.33	335.03	2.34	-43.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007608907	0	34	-1.0	-51.87	311.58	5.63	-46.24
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=C(C)N=CS1	REAL300007608908	0	36	-1.0	-43.41	322.67	4.40	-39.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300007608909	0	43	-1.0	-54.46	354.82	6.72	-47.74
CCCN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300007608910	0	44	-1.0	-42.63	331.32	7.18	-35.45
CCCN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007608911	0	42	-1.0	-52.80	347.13	2.30	-50.50
CCCN(CC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300007608912	0	40	-1.0	-45.33	327.58	6.35	-38.98
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1	REAL300007608913	0	46	-1.0	-47.78	399.33	8.44	-39.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1	REAL300007608914	0	50	-1.0	-45.16	417.43	5.96	-39.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1	REAL300007608915	0	39	-1.0	-50.53	338.35	7.02	-43.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007608916	0	31	-1.0	-50.51	296.36	5.77	-44.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007608917	0	33	-1.0	-49.36	303.28	5.82	-43.54
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007608918	0	37	-1.0	-55.03	320.88	7.42	-47.61
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007608919	0	33	-1.0	-49.20	304.12	5.86	-43.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300007608920	0	36	-1.0	-53.40	311.65	6.26	-47.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007608921	0	33	-1.0	-49.29	287.52	6.47	-42.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OCC	REAL300007608922	0	38	-1.0	-56.66	342.69	6.64	-50.02
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C=C1	REAL300007608923	0	38	-1.0	-53.45	326.40	5.37	-48.08
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300007608924	0	43	-1.0	-44.81	327.43	7.42	-37.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300007608925	0	46	-1.0	-47.74	363.08	8.20	-39.54
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007608926	0	34	-1.0	-44.94	314.96	6.22	-38.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007608927	0	34	-1.0	-59.73	303.09	6.51	-53.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300007608928	0	37	-1.0	-41.62	331.41	5.93	-35.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007608929	0	43	-1.0	-44.72	352.11	7.52	-37.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1	REAL300007608930	0	48	-1.0	-54.91	411.82	4.87	-50.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007608931	0	42	-1.0	-55.34	370.67	3.15	-52.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300007608932	0	35	-1.0	-45.85	325.80	5.16	-40.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007608933	0	37	-1.0	-48.68	348.94	6.93	-41.75
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300007608934	0	34	-1.0	-41.60	315.40	6.38	-35.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300007608935	0	45	-1.0	-45.89	386.00	8.70	-37.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007608936	0	35	-1.0	-49.94	321.04	4.94	-45.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300007608937	0	46	-1.0	-54.01	339.62	7.77	-46.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007608938	0	40	-1.0	-46.19	338.69	5.13	-41.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300007608939	0	47	-1.0	-58.43	375.85	7.42	-51.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300007608940	0	38	-1.0	-55.59	350.38	7.53	-48.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300007608941	0	36	-1.0	-50.56	320.11	6.38	-44.18
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300007608942	0	35	-1.0	-55.92	321.00	5.73	-50.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300007608943	0	49	-1.0	-44.63	373.78	8.87	-35.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007608944	0	34	-1.0	-40.45	314.65	6.20	-34.25
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007608945	0	41	-1.0	-54.09	337.70	7.64	-46.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300007608946	0	39	-1.0	-59.15	329.17	4.40	-54.75
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300007608947	0	39	-1.0	-47.38	334.62	4.39	-42.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007608948	0	39	-1.0	-54.41	325.38	7.43	-46.98
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300007608949	0	46	-1.0	-53.66	378.52	8.66	-45.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(OCC)=C1	REAL300007608950	0	45	-1.0	-45.11	378.34	6.24	-38.87
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007608951	0	36	-1.0	-56.86	329.30	0.10	-56.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1	REAL300007608952	0	39	-1.0	-51.81	339.39	6.99	-44.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300007608953	0	39	-1.0	-54.06	337.49	7.22	-46.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300007608954	0	39	-1.0	-65.05	332.83	6.95	-58.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300007608955	0	37	-1.0	-45.89	316.97	5.77	-40.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300007608956	0	35	-1.0	-44.05	315.73	5.59	-38.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007608957	0	36	-1.0	-54.06	330.14	0.14	-53.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007608958	0	43	-1.0	-44.36	383.41	2.99	-41.37
CCCN(CC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007608959	0	39	-1.0	-55.60	340.28	6.63	-48.97
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007608960	0	40	-1.0	-51.96	329.54	6.31	-45.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300007608961	0	39	-1.0	-45.68	319.11	5.94	-39.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300007608962	0	39	-1.0	-67.71	332.75	8.03	-59.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007608963	0	42	-1.0	-59.66	371.30	3.11	-56.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007608964	0	43	-1.0	-64.34	361.50	4.47	-59.87
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007608965	0	37	-1.0	-58.12	336.61	2.71	-55.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007608966	0	41	-1.0	-59.72	343.21	8.89	-50.83
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007608967	0	37	-1.0	-61.24	316.39	7.58	-53.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007608968	0	41	-1.0	-46.32	350.08	8.60	-37.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007608969	0	45	-1.0	-58.17	369.83	7.43	-50.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007608970	0	32	-1.0	-60.60	298.07	3.71	-56.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300007608971	0	35	-1.0	-56.04	316.43	5.63	-50.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1	REAL300007608972	0	46	-1.0	-44.60	366.33	7.99	-36.61
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300007608973	0	34	-1.0	-41.45	311.36	6.30	-35.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300007608974	0	41	-1.0	-53.28	344.32	6.00	-47.28
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007608975	0	34	-1.0	-41.66	314.38	6.40	-35.26
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007608976	0	36	-1.0	-60.91	334.86	7.86	-53.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007608977	0	36	-1.0	-52.86	310.74	6.27	-46.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007608978	0	42	-1.0	-48.16	381.40	8.58	-39.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300007608979	0	37	-1.0	-42.27	327.22	5.74	-36.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300007608980	0	35	-1.0	-47.38	311.60	4.56	-42.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007608981	0	42	-1.0	-43.06	381.30	8.55	-34.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300007608982	0	46	-1.0	-44.83	394.09	7.33	-37.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300007608983	0	58	-1.0	-43.95	424.99	10.67	-33.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300007608984	0	47	-1.0	-58.64	385.00	8.48	-50.16
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007608985	0	34	-1.0	-39.29	329.56	6.86	-32.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300007608986	0	41	-1.0	-59.38	344.70	6.93	-52.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1	REAL300007608987	0	47	-1.0	-58.96	394.54	2.83	-56.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300007608988	0	36	-1.0	-50.41	320.87	6.68	-43.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300007608989	0	36	-1.0	-54.59	314.22	6.47	-48.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC	REAL300007608990	0	39	-1.0	-54.54	336.62	7.56	-46.98
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300007608991	0	43	-1.0	-53.75	356.21	7.83	-45.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCOC)C=C1	REAL300007608992	0	41	-1.0	-53.84	351.63	5.66	-48.18
CCCN(CC(=O)[O-])S(=O)(=O)N(CCOC)CCOC	REAL300007608993	0	43	-1.0	-52.32	347.93	2.17	-50.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300007608994	0	34	-1.0	-51.90	300.11	6.11	-45.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300007608995	0	41	-1.0	-53.15	344.72	5.80	-47.35
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300007608996	0	47	-1.0	-52.88	386.97	7.48	-45.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007608997	0	45	-1.0	-44.55	370.55	7.42	-37.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300007608998	0	44	-1.0	-53.06	368.01	6.87	-46.19
CCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300007608999	0	41	-1.0	-53.00	347.90	6.18	-46.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300007609000	0	35	-1.0	-45.94	321.40	5.04	-40.90
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1	REAL300007609330	0	33	-1.0	-47.75	314.39	6.00	-41.75
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300007609331	0	39	-1.0	-49.83	336.87	4.67	-45.16
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300007609332	0	39	-1.0	-56.57	345.33	1.36	-55.21
CCN(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007609333	0	46	-1.0	-42.43	340.98	6.09	-36.34
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300007609334	0	36	-1.0	-53.41	309.55	6.05	-47.36
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007609335	0	36	-1.0	-47.43	317.32	6.31	-41.12
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300007609336	0	46	-1.0	-47.76	390.72	7.07	-40.69
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007609337	0	39	-1.0	-54.42	331.22	2.93	-51.49
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300007609338	0	42	-1.0	-47.12	371.09	5.62	-41.50
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300007609339	0	42	-1.0	-47.48	364.77	5.69	-41.79
CCN(CC(=O)[O-])S(=O)(=O)CCOCCOCCOC	REAL300007609340	0	42	-1.0	-58.08	357.70	1.52	-56.56
CCN(CC(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300007609341	0	44	-1.0	-57.63	354.15	5.77	-51.86
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007609342	0	43	-1.0	-46.68	371.83	5.88	-40.80
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300007609343	0	35	-1.0	-51.70	321.73	4.69	-47.01
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C(OC)=C1	REAL300007609344	0	46	-1.0	-61.04	394.49	2.78	-58.26
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007609345	0	36	-1.0	-52.28	312.13	2.14	-50.14
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300007609346	0	32	-1.0	-44.05	305.18	4.35	-39.70
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007609347	0	32	-1.0	-45.96	293.66	4.64	-41.32
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300007609348	0	34	-1.0	-50.33	309.00	5.13	-45.20
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300007609349	0	34	-1.0	-41.57	304.23	6.13	-35.44
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300007609350	0	34	-1.0	-39.79	296.21	5.64	-34.15
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300007609351	0	34	-1.0	-49.98	307.91	5.90	-44.08
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007609352	0	35	-1.0	-46.24	318.97	4.99	-41.25
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CC)CC(=O)[O-])=C1C	REAL300007609353	0	55	-1.0	-54.23	437.41	8.86	-45.37
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1	REAL300007609354	0	42	-1.0	-54.51	364.54	2.32	-52.19
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007609355	0	36	-1.0	-43.22	325.87	6.60	-36.62
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007609356	0	31	-1.0	-41.62	297.45	5.76	-35.86
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007609357	0	31	-1.0	-56.49	293.87	5.69	-50.80
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007609358	0	35	-1.0	-64.28	319.05	2.30	-61.98
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300007609359	0	31	-1.0	-51.19	296.22	5.66	-45.53
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300007609360	0	31	-1.0	-53.98	287.96	5.77	-48.21
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300007609361	0	32	-1.0	-50.71	303.40	4.36	-46.35
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300007609362	0	36	-1.0	-56.03	323.68	4.22	-51.81
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007609363	0	31	-1.0	-45.04	298.65	3.49	-41.55
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007609364	0	39	-1.0	-53.25	330.93	5.65	-47.60
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007609365	0	31	-1.0	-50.29	284.89	3.83	-46.46
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CC)CC(=O)[O-]	REAL300007609366	0	39	-1.0	-67.34	332.61	3.24	-64.10
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(I)=C1	REAL300007609367	0	31	-1.0	-53.42	298.83	6.03	-47.39
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007609368	0	40	-1.0	-51.73	358.28	3.66	-48.07
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC(=O)[O-])=C1	REAL300007609369	0	45	-1.0	-57.74	390.23	4.10	-53.64
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007609370	0	45	-1.0	-53.18	397.52	2.95	-50.23
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007609371	0	36	-1.0	-55.99	332.42	1.16	-54.83
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1	REAL300007609372	0	42	-1.0	-50.55	389.87	2.07	-48.48
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC	REAL300007609373	0	43	-1.0	-61.23	372.99	1.99	-59.24
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C(F)=C1	REAL300007609374	0	42	-1.0	-62.12	372.48	2.78	-59.34
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007609375	0	42	-1.0	-48.16	373.77	2.23	-45.93
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007609376	0	39	-1.0	-73.59	339.42	4.30	-69.29
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1F	REAL300007609377	0	42	-1.0	-54.61	375.39	2.84	-51.77
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007609378	0	43	-1.0	-58.74	355.30	5.58	-53.16
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300007609379	0	39	-1.0	-54.92	353.89	2.06	-52.86
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007609380	0	43	-1.0	-56.20	367.22	4.83	-51.37
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007609381	0	40	-1.0	-44.89	341.60	3.89	-41.00
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300007609382	0	37	-1.0	-47.74	336.56	2.85	-44.89
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300007609383	0	38	-1.0	-50.61	338.20	1.83	-48.78
CCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1Br	REAL300007609384	0	35	-1.0	-51.51	325.25	5.28	-46.23
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300007609385	0	42	-1.0	-56.20	361.65	7.46	-48.74
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007609386	0	32	-1.0	-45.58	303.98	5.10	-40.48
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007609387	0	34	-1.0	-43.20	335.09	2.57	-40.63
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300007609388	0	35	-1.0	-46.02	322.34	5.00	-41.02
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007609389	0	42	-1.0	-52.45	366.50	6.35	-46.10
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300007609390	0	35	-1.0	-46.89	316.97	5.49	-41.40
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300007609391	0	40	-1.0	-54.69	344.20	5.93	-48.76
CCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC	REAL300007609392	0	35	-1.0	-63.18	313.08	-1.05	-64.23
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300007609393	0	34	-1.0	-52.89	302.65	5.58	-47.31
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007609394	0	31	-1.0	-43.86	310.40	6.39	-37.47
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300007609395	0	34	-1.0	-46.58	317.50	7.19	-39.39
CCN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007609396	0	31	-1.0	-42.78	292.12	5.74	-37.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007609397	0	34	-1.0	-62.58	311.59	7.33	-55.25
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007609398	0	34	-1.0	-44.03	315.61	6.22	-37.81
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007609399	0	39	-1.0	-57.61	334.48	5.74	-51.87
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007609400	0	42	-1.0	-45.82	363.32	7.85	-37.97
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007609401	0	41	-1.0	-58.24	360.89	5.96	-52.28
CCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007609402	0	39	-1.0	-61.03	353.34	1.47	-59.56
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300007609403	0	37	-1.0	-45.23	320.63	7.28	-37.95
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300007609404	0	39	-1.0	-53.26	328.37	5.05	-48.21
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007609405	0	34	-1.0	-42.62	313.84	6.36	-36.26
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300007609406	0	35	-1.0	-44.19	306.13	4.66	-39.53
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007609407	0	37	-1.0	-51.12	336.85	2.66	-48.46
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300007609408	0	32	-1.0	-51.32	308.69	5.85	-45.47
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CC)CC(=O)[O-]	REAL300007609409	0	40	-1.0	-44.49	325.96	4.86	-39.63
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007609410	0	36	-1.0	-51.71	324.66	2.95	-48.76
CCC1=NOC2=NC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C12	REAL300007609411	0	35	-1.0	-47.16	315.70	2.14	-45.02
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007609412	0	39	-1.0	-44.68	350.99	4.27	-40.41
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007609413	0	34	-1.0	-52.67	320.62	7.27	-45.40
CCC1=CC(CC)=C(S(=O)(=O)N(CC)CC(=O)[O-])C(CC)=C1	REAL300007609414	0	46	-1.0	-42.52	350.02	8.52	-34.00
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC	REAL300007609415	1	43	-1.0	-59.26	374.46	1.59	-57.67
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007609416	0	34	-1.0	-50.16	322.11	2.43	-47.73
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007609417	0	37	-1.0	-65.23	320.28	8.14	-57.09
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300007609418	0	35	-1.0	-43.76	295.11	4.14	-39.62
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007609419	0	37	-1.0	-43.72	307.07	5.60	-38.12
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007609421	0	36	-1.0	-46.66	323.89	5.70	-40.96
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300007609422	0	35	-1.0	-52.12	321.44	4.42	-47.70
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007609424	0	28	-1.0	-38.21	287.13	4.63	-33.58
CCN(CC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007609425	0	41	-1.0	-57.84	342.08	7.70	-50.14
CCN(CC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007609426	0	39	-1.0	-60.25	335.21	5.14	-55.11
CCN(CC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007609427	0	37	-1.0	-66.42	314.47	1.57	-64.85
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007609428	0	31	-1.0	-44.25	290.69	4.91	-39.34
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300007609429	0	40	-1.0	-54.53	333.33	5.96	-48.57
CCN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007609430	0	39	-1.0	-60.03	325.64	1.54	-58.49
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1	REAL300007609431	0	43	-1.0	-47.92	377.84	7.68	-40.24
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1	REAL300007609432	0	47	-1.0	-45.35	395.93	5.20	-40.15
CCC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007609433	0	36	-1.0	-52.24	315.93	6.22	-46.02
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007609434	0	28	-1.0	-41.12	275.91	5.07	-36.05
CCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300007609435	0	33	-1.0	-58.31	285.30	5.27	-53.04
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC)CC(=O)[O-]	REAL300007609436	0	35	-1.0	-45.90	320.50	5.85	-40.05
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300007609437	0	43	-1.0	-55.86	332.29	7.01	-48.85
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007609438	0	31	-1.0	-45.01	293.47	5.46	-39.55
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007609439	0	31	-1.0	-60.34	278.38	5.73	-54.61
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300007609440	0	34	-1.0	-58.29	308.98	5.13	-53.16
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300007609441	0	44	-1.0	-55.91	381.83	1.96	-53.95
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007609442	0	45	-1.0	-48.72	391.37	4.16	-44.56
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007609443	0	39	-1.0	-48.92	350.22	2.44	-46.48
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300007609444	0	32	-1.0	-51.87	303.38	4.35	-47.52
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007609445	0	34	-1.0	-39.12	332.25	6.45	-32.67
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300007609446	0	31	-1.0	-50.72	292.98	5.57	-45.15
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300007609447	0	42	-1.0	-53.31	363.58	7.90	-45.41
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007609448	0	32	-1.0	-41.61	300.60	4.24	-37.37
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300007609449	0	43	-1.0	-53.81	318.11	7.03	-46.78
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007609450	0	37	-1.0	-53.61	316.27	4.33	-49.28
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300007609451	0	44	-1.0	-48.88	353.65	6.63	-42.25
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300007609452	0	35	-1.0	-54.19	328.91	6.77	-47.42
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300007609453	0	33	-1.0	-52.43	297.70	5.58	-46.85
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300007609454	0	32	-1.0	-45.93	298.80	4.93	-41.00
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300007609455	0	46	-1.0	-44.61	352.28	8.11	-36.50
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007609456	0	31	-1.0	-50.24	292.22	5.39	-44.85
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300007609457	0	36	-1.0	-50.06	306.96	3.60	-46.46
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300007609458	0	36	-1.0	-53.79	312.20	3.59	-50.20
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300007609459	0	43	-1.0	-44.02	358.07	7.95	-36.07
CCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1OCC	REAL300007609460	0	42	-1.0	-54.37	355.91	5.43	-48.94
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007609461	0	33	-1.0	-49.34	308.80	-0.60	-49.94
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1	REAL300007609462	0	36	-1.0	-51.56	313.26	6.00	-45.56
CCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300007609463	0	36	-1.0	-52.33	306.78	6.01	-46.32
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300007609464	0	36	-1.0	-64.94	311.33	6.19	-58.75
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300007609465	0	34	-1.0	-65.59	303.62	5.37	-60.22
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300007609466	0	32	-1.0	-54.33	294.94	4.87	-49.46
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007609467	0	33	-1.0	-54.57	308.59	-0.61	-55.18
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007609468	0	40	-1.0	-44.48	361.92	2.23	-42.25
CCN(CC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007609469	0	36	-1.0	-55.60	318.78	5.87	-49.73
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300007609470	0	36	-1.0	-58.03	310.13	5.78	-52.25
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300007609471	0	36	-1.0	-48.79	304.20	6.94	-41.85
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007609472	0	39	-1.0	-59.51	349.08	2.39	-57.12
CCN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007609473	0	40	-1.0	-64.45	340.00	3.71	-60.74
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007609474	0	34	-1.0	-58.23	315.12	1.95	-56.28
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007609475	0	38	-1.0	-44.91	308.59	7.41	-37.50
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007609476	0	38	-1.0	-54.38	327.65	7.80	-46.58
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007609477	0	42	-1.0	-46.16	335.93	6.10	-40.06
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007609478	0	29	-1.0	-60.58	276.58	2.95	-57.63
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300007609479	0	32	-1.0	-45.98	294.23	4.83	-41.15
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1	REAL300007609480	0	43	-1.0	-45.12	345.05	7.23	-37.89
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300007609481	0	38	-1.0	-44.34	323.86	5.30	-39.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007609482	0	33	-1.0	-61.17	312.91	7.07	-54.10
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007609483	0	39	-1.0	-54.35	358.97	7.78	-46.57
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300007609484	0	34	-1.0	-52.18	306.43	5.02	-47.16
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007609485	0	39	-1.0	-52.53	358.88	7.75	-44.78
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300007609486	0	43	-1.0	-52.76	371.67	6.53	-46.23
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300007609487	0	55	-1.0	-43.85	403.50	9.92	-33.93
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300007609488	0	44	-1.0	-58.63	363.50	7.72	-50.91
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007609489	0	31	-1.0	-39.35	308.07	6.11	-33.24
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300007609490	0	38	-1.0	-59.38	323.19	6.17	-53.21
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300007609491	0	46	-1.0	-54.87	390.59	4.38	-50.49
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1	REAL300007609492	0	44	-1.0	-58.98	373.04	2.07	-56.91
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300007609493	0	33	-1.0	-41.01	293.71	5.80	-35.21
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300007609494	0	33	-1.0	-54.67	292.73	5.72	-48.95
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC)CC(=O)[O-]	REAL300007609495	0	36	-1.0	-37.41	304.13	6.26	-31.15
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCOC)C=C1	REAL300007609496	0	38	-1.0	-44.40	331.18	4.95	-39.45
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300007609497	0	38	-1.0	-52.60	323.22	5.08	-47.52
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300007609498	0	44	-1.0	-43.53	366.52	6.78	-36.75
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007609499	0	42	-1.0	-52.87	343.75	6.39	-46.48
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300007609500	0	41	-1.0	-43.70	347.56	6.17	-37.53
CCCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007609501	0	38	-1.0	-43.60	327.46	5.48	-38.12
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300007609502	0	32	-1.0	-51.85	298.98	4.24	-47.61
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007609503	0	32	-1.0	-52.88	308.74	4.52	-48.36
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300007609504	0	41	-1.0	-53.52	342.83	5.98	-47.54
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300007609505	0	39	-1.0	-45.06	339.59	3.95	-41.11
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300007609506	0	31	-1.0	-42.13	286.77	5.75	-36.38
CCN(CC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300007609507	0	36	-1.0	-58.51	294.32	6.62	-51.89
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300007609508	0	37	-1.0	-63.02	317.79	2.12	-60.90
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007609509	0	40	-1.0	-55.34	362.50	2.24	-53.10
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300007609510	0	36	-1.0	-48.86	331.23	0.61	-48.25
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC	REAL300007609511	0	36	-1.0	-57.76	316.45	2.40	-55.36
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007609512	0	38	-1.0	-45.89	328.59	7.84	-38.05
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007609513	0	31	-1.0	-55.88	310.58	6.14	-49.74
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300007609514	0	34	-1.0	-46.77	334.00	5.00	-41.77
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007609515	0	48	-1.0	-43.68	389.19	8.07	-35.61
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300007609516	0	36	-1.0	-50.81	301.81	6.03	-44.78
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300007609517	0	36	-1.0	-56.06	318.00	2.03	-54.03
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300007609518	0	38	-1.0	-43.98	305.50	5.08	-38.90
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007609519	0	39	-1.0	-47.84	338.67	8.56	-39.28
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300007609520	0	38	-1.0	-44.50	312.20	4.92	-39.58
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300007609521	0	36	-1.0	-45.73	297.65	5.52	-40.21
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007609522	0	41	-1.0	-49.34	354.21	8.27	-41.07
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300007609523	0	33	-1.0	-42.31	299.29	4.92	-37.39
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007609524	0	35	-1.0	-54.04	324.39	5.08	-48.96
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007609525	0	42	-1.0	-53.94	364.72	7.67	-46.27
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007609526	0	38	-1.0	-53.63	340.05	5.95	-47.68
CCN(CC(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300007609527	0	50	-1.0	-53.83	386.69	7.12	-46.71
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007609528	0	36	-1.0	-51.98	328.18	1.16	-50.82
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007609529	0	43	-1.0	-47.87	376.33	3.57	-44.30
CCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C2=CC=CC=C12	REAL300007609530	0	41	-1.0	-59.07	345.05	7.11	-51.96
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC)CC(=O)[O-]	REAL300007609531	0	38	-1.0	-48.23	320.63	5.89	-42.34
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007609532	0	33	-1.0	-57.32	302.67	4.61	-52.71
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007609533	0	35	-1.0	-54.77	314.63	5.49	-49.28
CCOCCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007609534	0	42	-1.0	-45.11	361.44	4.91	-40.20
CCCCCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007609535	0	44	-1.0	-43.43	370.45	7.04	-36.39
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007609536	0	34	-1.0	-57.02	301.75	6.21	-50.81
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007609537	0	32	-1.0	-42.65	311.00	5.91	-36.74
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007609538	0	36	-1.0	-63.27	316.98	5.66	-57.61
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007609539	0	33	-1.0	-58.60	301.74	4.57	-54.03
CCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C(C)=C1	REAL300007609540	0	38	-1.0	-52.67	313.29	5.06	-47.61
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300007609541	0	36	-1.0	-54.92	331.01	0.60	-54.32
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007609542	0	32	-1.0	-55.58	287.97	4.62	-50.96
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300007609543	0	46	-1.0	-47.47	391.51	4.43	-43.04
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007609544	0	34	-1.0	-41.53	315.21	6.17	-35.36
CCN(CC(=O)[O-])S(=O)(=O)N(CC)CC1=CC=CC=C1	REAL300007609545	0	39	-1.0	-56.21	321.02	6.05	-50.16
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007609546	0	34	-1.0	-57.92	292.98	4.13	-53.79
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007609547	0	40	-1.0	-56.29	343.15	6.25	-50.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300007609548	0	34	-1.0	-53.91	307.91	5.91	-48.00
CCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007609549	0	34	-1.0	-48.99	327.83	5.20	-43.79
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007609550	0	37	-1.0	-43.60	319.18	6.04	-37.56
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300007609551	0	36	-1.0	-44.72	320.74	4.15	-40.57
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1OC	REAL300007609552	0	35	-1.0	-46.12	321.05	5.02	-41.10
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007609553	0	39	-1.0	-49.84	328.73	5.80	-44.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007609554	0	40	-1.0	-68.25	346.30	2.70	-65.55
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007609555	0	35	-1.0	-57.26	323.09	4.92	-52.34
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(OC)C=C1OC	REAL300007609556	0	36	-1.0	-56.02	328.06	4.33	-51.69
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007609557	0	41	-1.0	-50.42	375.49	6.61	-43.81
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007609558	0	36	-1.0	-48.97	310.47	4.86	-44.11
CCN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007609559	0	31	-1.0	-46.30	303.06	6.05	-40.25
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300007609560	0	40	-1.0	-53.23	333.42	2.88	-50.35
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007609561	0	39	-1.0	-53.21	358.89	7.74	-45.47
CCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007609562	0	34	-1.0	-46.09	320.87	5.12	-40.97
CCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007609563	0	34	-1.0	-56.05	336.82	5.64	-50.41
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300007609564	0	37	-1.0	-56.35	329.84	3.46	-52.89
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007609565	0	31	-1.0	-51.88	278.08	2.65	-49.23
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300007609566	0	38	-1.0	-46.52	336.66	6.22	-40.30
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007609567	0	36	-1.0	-42.10	328.17	5.55	-36.55
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300007609568	0	33	-1.0	-49.41	297.68	5.57	-43.84
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300007609569	0	39	-1.0	-58.19	341.80	5.13	-53.06
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007609570	0	30	-1.0	-52.80	285.51	3.87	-48.93
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300007609571	0	37	-1.0	-54.77	320.72	7.32	-47.45
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007609572	0	34	-1.0	-41.50	314.39	6.45	-35.05
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007609573	0	40	-1.0	-55.93	327.69	4.94	-50.99
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007609574	0	30	-1.0	-50.17	288.25	3.62	-46.55
CCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300007609575	0	36	-1.0	-51.02	307.72	4.93	-46.09
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300007609576	0	36	-1.0	-52.10	307.01	6.07	-46.03
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300007609577	0	36	-1.0	-61.64	303.57	7.15	-54.49
CCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300007609578	0	36	-1.0	-54.75	311.54	6.41	-48.34
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(OC)C=C1	REAL300007609579	0	38	-1.0	-44.15	327.15	5.23	-38.92
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007609580	0	37	-1.0	-43.58	327.54	6.09	-37.49
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300007609581	0	36	-1.0	-55.31	308.63	2.80	-52.51
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300007609582	0	34	-1.0	-52.00	288.06	3.52	-48.48
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300007609583	0	32	-1.0	-50.92	299.01	4.25	-46.67
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300007609584	0	36	-1.0	-54.19	301.76	5.95	-48.24
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300007609585	0	36	-1.0	-40.16	304.29	6.46	-33.70
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300007609586	0	38	-1.0	-58.05	311.22	5.94	-52.11
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007609587	0	34	-1.0	-67.40	306.15	5.86	-61.54
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007609588	0	35	-1.0	-60.31	309.46	4.15	-56.16
CCN(CC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007609589	0	41	-1.0	-42.65	353.17	5.98	-36.67
CCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007609590	0	32	-1.0	-67.15	294.56	4.57	-62.58
CCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007609591	0	30	-1.0	-61.96	282.59	4.24	-57.72
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300007609592	0	37	-1.0	-54.06	339.70	5.86	-48.20
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007609593	0	35	-1.0	-61.30	318.61	2.26	-59.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007609594	0	37	-1.0	-57.08	311.65	4.86	-52.22
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007609595	0	31	-1.0	-43.01	296.02	5.67	-37.34
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007609596	0	53	-1.0	-43.45	434.95	9.38	-34.07
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC)CC(=O)[O-]	REAL300007609597	0	38	-1.0	-45.52	341.99	6.65	-38.87
CCC(C)OC1=CC=CC(S(=O)(=O)N(CC)CC(=O)[O-])=C1	REAL300007609598	0	41	-1.0	-49.66	344.43	6.09	-43.57
CCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCCCC1	REAL300007609599	0	44	-1.0	-56.84	345.02	5.42	-51.42
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007609600	0	42	-1.0	-52.87	370.95	7.74	-45.13
CCCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1C(C)C	REAL300007609601	0	47	-1.0	-53.30	384.93	7.44	-45.86
CCC1=NC(S(=O)(=O)N(CC)CC(=O)[O-])=CN1CC1CC1	REAL300007609602	0	41	-1.0	-58.73	349.98	6.26	-52.47
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300007609603	0	36	-1.0	-43.27	309.14	6.39	-36.88
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007609604	0	41	-1.0	-51.79	351.21	6.61	-45.18
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007609605	0	31	-1.0	-42.55	292.63	2.93	-39.62
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007609606	0	39	-1.0	-43.90	355.03	8.54	-35.36
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007609607	0	38	-1.0	-50.19	306.72	7.33	-42.86
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1	REAL300007609608	0	48	-1.0	-53.39	404.99	9.09	-44.30
CCC1=CC(S(=O)(=O)N(CC)CC(=O)[O-])=C(C)C=C1OC	REAL300007609609	0	41	-1.0	-45.12	330.99	5.55	-39.57
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007609610	0	34	-1.0	-40.37	325.82	6.32	-34.05
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300007609611	0	37	-1.0	-58.91	300.31	7.32	-51.59
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300007609612	0	37	-1.0	-50.39	322.68	2.90	-47.49
CCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1C(C)C	REAL300007609613	0	44	-1.0	-53.75	363.43	6.64	-47.11
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007609614	0	40	-1.0	-53.13	331.70	6.64	-46.49
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007609615	0	47	-1.0	-43.51	378.01	8.96	-34.55
CCN(CC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007609616	0	38	-1.0	-45.86	309.81	4.37	-41.49
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007609617	0	40	-1.0	-56.76	328.04	4.83	-51.93
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007609618	0	38	-1.0	-53.60	321.46	4.73	-48.87
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007609619	0	31	-1.0	-50.07	275.21	3.02	-47.05
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300007609620	0	35	-1.0	-46.64	310.73	4.57	-42.07
CCCCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1C(C)C	REAL300007609621	0	50	-1.0	-52.48	406.43	8.22	-44.26
CCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007609622	0	32	-1.0	-52.82	304.34	6.18	-46.64
CCCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1C(C)(C)C	REAL300007609623	0	50	-1.0	-53.57	397.49	8.11	-45.46
CCCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1CC	REAL300007609624	0	44	-1.0	-52.48	368.02	6.90	-45.58
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300007609625	0	34	-1.0	-41.01	292.79	6.30	-34.71
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C(Br)=C1	REAL300007609626	0	39	-1.0	-55.78	358.86	4.55	-51.23
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300007609627	0	34	-1.0	-40.73	313.24	6.34	-34.39
CCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007609628	0	32	-1.0	-54.39	301.85	6.09	-48.30
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300007609629	0	44	-1.0	-44.94	364.48	7.04	-37.90
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1	REAL300007609630	0	43	-1.0	-52.18	382.36	8.25	-43.93
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007609631	0	38	-1.0	-43.25	315.77	4.86	-38.39
CCN(CC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007609632	0	39	-1.0	-57.43	328.46	2.56	-54.87
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007609633	0	34	-1.0	-52.74	320.89	5.28	-47.46
CCCCCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1C(C)C	REAL300007609634	0	53	-1.0	-53.22	427.93	9.00	-44.22
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300007609635	0	44	-1.0	-46.90	350.26	6.13	-40.77
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300007609636	0	38	-1.0	-46.83	323.68	5.92	-40.91
CCOCCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1C(C)C	REAL300007609637	0	51	-1.0	-55.65	418.91	6.86	-48.79
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007609638	0	36	-1.0	-51.30	322.73	4.04	-47.26
CCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007609639	0	34	-1.0	-57.35	303.79	4.94	-52.41
CCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007609640	0	32	-1.0	-56.95	305.62	4.88	-52.07
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300007609641	0	37	-1.0	-41.71	301.49	6.45	-35.26
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300007609642	0	36	-1.0	-56.41	304.92	4.32	-52.09
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007609643	0	41	-1.0	-55.01	337.92	5.19	-49.82
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300007609644	0	40	-1.0	-44.93	329.11	4.88	-40.05
CCCCN1C=C(S(=O)(=O)N(CC)CC(=O)[O-])C(C)=N1	REAL300007609645	0	40	-1.0	-53.06	334.44	4.95	-48.11
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007609646	0	32	-1.0	-55.15	292.72	3.97	-51.18
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300007609647	0	34	-1.0	-52.02	301.45	6.02	-46.00
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007609648	0	34	-1.0	-50.45	317.42	5.41	-45.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007609649	0	38	-1.0	-46.53	318.87	4.62	-41.91
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300007609650	0	46	-1.0	-47.00	360.99	8.07	-38.93
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007609651	0	34	-1.0	-44.83	325.61	6.30	-38.53
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007609652	0	38	-1.0	-44.69	328.68	5.07	-39.62
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007609653	0	39	-1.0	-45.95	346.08	7.28	-38.67
CCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300007609654	0	37	-1.0	-56.42	319.16	5.68	-50.74
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300007609655	0	33	-1.0	-43.79	305.34	4.25	-39.54
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007609656	0	31	-1.0	-48.84	298.65	5.46	-43.38
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CC)CC(=O)[O-])=C1	REAL300007609657	0	39	-1.0	-55.77	338.96	6.46	-49.31
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007609658	0	39	-1.0	-55.60	319.22	7.35	-48.25
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007609659	0	34	-1.0	-51.81	313.70	5.34	-46.47
CCN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007609660	0	35	-1.0	-48.52	305.44	2.78	-45.74
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1	REAL300007609661	0	38	-1.0	-42.65	350.82	5.21	-37.44
CCN(CC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007609662	0	28	-1.0	-57.92	272.67	4.47	-53.45
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007609663	0	38	-1.0	-43.70	316.05	4.86	-38.84
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007609664	0	42	-1.0	-45.64	343.80	3.35	-42.29
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007609665	0	34	-1.0	-48.32	307.62	5.96	-42.36
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007609666	0	32	-1.0	-47.25	293.65	4.01	-43.24
CCN(CC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007609667	0	43	-1.0	-42.17	349.37	7.06	-35.11
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300007609668	0	39	-1.0	-51.98	318.85	6.48	-45.50
CCN(CC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007609669	0	36	-1.0	-39.74	309.34	4.51	-35.23
CCOCC1=CC=CC(S(=O)(=O)N(CC)CC(=O)[O-])=C1	REAL300007609670	0	38	-1.0	-46.36	331.33	5.13	-41.23
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007609671	0	31	-1.0	-53.51	313.15	6.41	-47.10
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007609672	0	38	-1.0	-50.69	329.32	5.59	-45.10
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007609673	0	41	-1.0	-53.50	340.45	5.33	-48.17
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007609674	0	39	-1.0	-52.49	342.16	7.23	-45.26
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300007609675	0	34	-1.0	-50.83	307.34	5.94	-44.89
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007609676	0	31	-1.0	-53.51	313.15	6.41	-47.10
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300007609677	0	37	-1.0	-61.23	312.62	7.36	-53.87
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007609678	0	38	-1.0	-45.83	326.67	5.62	-40.21
CCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007609679	0	32	-1.0	-52.77	308.91	6.28	-46.49
CCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007609680	0	32	-1.0	-41.80	308.20	6.26	-35.54
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007609681	0	30	-1.0	-50.05	285.27	3.82	-46.23
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300007609682	0	37	-1.0	-58.25	326.13	3.47	-54.78
CCN(CC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007609683	0	45	-1.0	-43.13	329.39	7.30	-35.83
CCN(CC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300007609684	0	36	-1.0	-65.63	319.70	1.02	-64.61
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007609685	0	32	-1.0	-46.55	300.36	3.46	-43.09
CCN(CC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007609686	0	38	-1.0	-58.83	336.63	7.31	-51.52
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007609687	0	50	-1.0	-54.63	383.07	8.56	-46.07
CCN(CC(=O)[O-])S(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300007609688	0	39	-1.0	-54.07	331.32	5.48	-48.59
CCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300007609689	0	33	-1.0	-57.16	302.78	2.37	-54.79
CCN(CC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007609690	0	39	-1.0	-42.75	331.80	6.20	-36.55
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007609691	0	32	-1.0	-53.32	298.74	5.39	-47.93
CCN(CC(=O)[O-])S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300007609692	0	32	-1.0	-46.26	292.10	4.00	-42.26
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007609693	0	32	-1.0	-55.58	298.96	4.03	-51.55
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007609694	0	37	-1.0	-42.72	333.27	4.91	-37.81
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300007609695	0	41	-1.0	-55.13	341.11	6.68	-48.45
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007609696	0	39	-1.0	-44.43	344.81	7.35	-37.08
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007609697	0	34	-1.0	-65.89	294.05	6.18	-59.71
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007609698	0	29	-1.0	-45.01	285.94	3.39	-41.62
C=C(C)COC1=CC=CC(S(=O)(=O)N(CC)CC(=O)[O-])=C1	REAL300007609699	0	39	-1.0	-49.75	338.06	6.05	-43.70
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1C1CC1	REAL300007609700	0	38	-1.0	-47.31	325.34	4.98	-42.33
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300007609701	0	32	-1.0	-44.52	285.37	3.49	-41.03
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007609702	0	34	-1.0	-52.85	316.06	7.16	-45.69
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007609703	0	38	-1.0	-45.07	345.31	8.35	-36.72
CCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007609704	0	27	-1.0	-39.18	281.81	2.41	-36.77
CCC1=CC(S(=O)(=O)N(CC)CC(=O)[O-])=CC=C1Br	REAL300007609705	0	34	-1.0	-50.71	312.52	6.26	-44.45
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300007609706	0	41	-1.0	-50.20	334.04	5.40	-44.80
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300007609707	0	42	-1.0	-48.16	354.07	4.81	-43.35
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007609708	0	34	-1.0	-45.64	304.79	6.93	-38.71
CCN(CC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007609709	0	36	-1.0	-49.33	298.56	1.90	-47.43
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007609710	0	34	-1.0	-45.92	319.24	4.26	-41.66
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007609711	0	43	-1.0	-45.73	356.50	4.83	-40.90
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300007609712	0	31	-1.0	-52.53	292.75	2.23	-50.30
CCN(CC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007609713	0	38	-1.0	-55.38	313.84	2.08	-53.30
CCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007609714	0	33	-1.0	-54.05	306.33	6.35	-47.70
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007609715	0	39	-1.0	-47.41	324.78	5.14	-42.27
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007609716	0	35	-1.0	-53.51	299.59	5.05	-48.46
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300007609717	0	42	-1.0	-53.40	363.06	7.96	-45.44
CCN(CC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300007609718	0	31	-1.0	-39.31	282.70	3.98	-35.33
CCN(CC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007609719	0	36	-1.0	-44.75	312.12	0.23	-44.52
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=C(C(C)C)C=C2)C=C1	REAL300007609720	0	51	-1.0	-44.78	426.10	9.67	-35.11
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300007609721	0	35	-1.0	-61.60	306.51	4.94	-56.66
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300007609722	0	34	-1.0	-51.86	315.14	2.72	-49.14
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300007609723	0	36	-1.0	-53.58	307.00	6.05	-47.53
CCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007609724	0	35	-1.0	-57.06	323.30	5.26	-51.80
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300007609725	0	41	-1.0	-48.24	337.55	6.49	-41.75
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1	REAL300007609726	0	35	-1.0	-53.84	311.35	4.16	-49.68
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300007609727	0	40	-1.0	-64.65	345.43	4.47	-60.18
CCC(C)C1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007609728	0	47	-1.0	-51.96	383.51	6.68	-45.28
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)S1	REAL300007609729	0	35	-1.0	-53.20	319.11	3.91	-49.29
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)S1	REAL300007609730	0	32	-1.0	-50.71	314.26	3.73	-46.98
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300007609731	0	42	-1.0	-54.95	351.08	4.71	-50.24
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300007609732	0	38	-1.0	-51.70	342.02	5.54	-46.16
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007609733	0	39	-1.0	-49.37	346.16	4.53	-44.84
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007609734	0	41	-1.0	-58.83	365.52	1.61	-57.22
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007609735	0	39	-1.0	-48.46	350.82	3.88	-44.58
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300007609736	0	46	-1.0	-51.10	370.84	3.70	-47.40
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300007609737	0	38	-1.0	-48.40	335.07	6.21	-42.19
COCCN(CCC(=O)[O-])S(=O)(=O)N(C)C1CCCCC1	REAL300007609738	0	46	-1.0	-51.75	355.38	4.29	-47.46
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C)N=C1C	REAL300007609739	0	41	-1.0	-53.99	334.07	3.68	-50.31
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007609740	0	51	-1.0	-52.03	403.64	8.57	-43.46
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007609741	0	41	-1.0	-55.43	349.42	3.24	-52.19
CCC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007609742	0	41	-1.0	-52.28	347.72	5.53	-46.75
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300007609743	0	35	-1.0	-52.53	308.77	4.03	-48.50
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007609744	0	35	-1.0	-52.60	326.24	4.70	-47.90
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300007609745	0	40	-1.0	-65.17	326.26	5.42	-59.75
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007609746	0	41	-1.0	-51.87	366.07	6.13	-45.74
COCCN(CCC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007609747	0	45	-1.0	-59.30	388.28	0.64	-58.66
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300007609748	0	46	-1.0	-51.04	387.43	5.93	-45.11
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300007609749	0	38	-1.0	-53.19	332.66	4.82	-48.37
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007609750	0	41	-1.0	-54.73	347.57	4.53	-50.20
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300007609751	0	42	-1.0	-53.08	359.90	3.82	-49.26
CCOC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=N1	REAL300007609752	0	41	-1.0	-51.48	350.72	2.41	-49.07
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007609753	0	44	-1.0	-62.54	389.41	3.12	-59.42
COCCN(CCC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300007609754	0	40	-1.0	-62.68	353.31	0.15	-62.53
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300007609755	0	45	-1.0	-51.43	358.25	4.47	-46.96
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007609756	0	38	-1.0	-52.68	349.14	5.46	-47.22
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007609757	0	40	-1.0	-56.50	345.87	4.47	-52.03
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C)N=C1	REAL300007609758	0	38	-1.0	-54.42	330.23	2.36	-52.06
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007609759	0	45	-1.0	-58.91	373.30	-0.41	-59.32
COCCN(CCC(=O)[O-])S(=O)(=O)N(C)C1CCOCC1	REAL300007609760	0	44	-1.0	-49.33	350.63	2.11	-47.22
COCCN(CCC(=O)[O-])S(=O)(=O)N1CC2CCC1C2	REAL300007609761	0	41	-1.0	-51.94	331.80	3.59	-48.35
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300007609762	0	44	-1.0	-56.93	372.81	5.36	-51.57
CCN1N=C(C)C(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1C	REAL300007609763	0	44	-1.0	-48.19	356.76	4.57	-43.62
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)N=C1	REAL300007609764	0	41	-1.0	-48.16	348.62	3.18	-44.98
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300007609765	0	44	-1.0	-51.86	370.09	5.06	-46.80
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)C)C=N1	REAL300007609766	0	41	-1.0	-60.33	352.29	4.61	-55.72
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CNC(C(C)C)=N1	REAL300007609767	0	41	-1.0	-61.74	349.17	2.52	-59.22
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007609768	0	47	-1.0	-51.68	359.06	6.90	-44.78
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007609769	0	43	-1.0	-67.85	371.29	3.50	-64.35
COCCN(CCC(=O)[O-])S(=O)(=O)CC1CCCOC1	REAL300007609770	0	42	-1.0	-52.47	338.11	2.85	-49.62
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300007609771	0	43	-1.0	-50.16	371.20	3.65	-46.51
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300007609772	0	38	-1.0	-53.26	344.33	5.28	-47.98
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1C	REAL300007609773	0	38	-1.0	-50.19	325.89	4.95	-45.24
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007609774	0	41	-1.0	-51.88	360.16	6.91	-44.97
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007609775	0	39	-1.0	-51.43	350.31	3.73	-47.70
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007609776	0	42	-1.0	-54.00	366.49	5.81	-48.19
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300007609777	0	50	-1.0	-48.84	392.96	4.91	-43.93
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007609778	0	38	-1.0	-52.12	337.01	4.95	-47.17
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300007609779	0	46	-1.0	-56.92	384.73	3.77	-53.15
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300007609780	0	39	-1.0	-54.18	336.06	4.12	-50.06
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007609781	0	46	-1.0	-55.66	389.03	4.40	-51.26
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1C	REAL300007609782	0	46	-1.0	-56.37	396.16	1.17	-55.20
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007609783	0	53	-1.0	-50.57	390.84	5.69	-44.88
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300007609784	0	43	-1.0	-62.23	359.80	5.72	-56.51
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007609785	0	43	-1.0	-53.90	369.25	6.01	-47.89
CCN(CC1CC1)S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007609786	0	43	-1.0	-51.83	351.77	4.34	-47.49
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007609787	0	46	-1.0	-49.55	375.41	2.71	-46.84
CCCN1C=NC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300007609788	0	41	-1.0	-51.99	352.83	4.84	-47.15
COCCOCCOCCS(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007609789	0	49	-1.0	-55.91	412.81	1.43	-54.48
COCCN(CCC(=O)[O-])S(=O)(=O)CCOCC1CC1	REAL300007609790	0	42	-1.0	-50.89	355.38	3.43	-47.46
COCCN(CCC(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300007609791	0	51	-1.0	-50.97	405.14	5.48	-45.49
CCOCC(C)CS(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007609792	0	44	-1.0	-51.71	360.20	3.41	-48.30
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300007609793	0	42	-1.0	-50.52	373.06	4.38	-46.14
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007609794	0	43	-1.0	-53.74	363.59	1.84	-51.90
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300007609795	0	39	-1.0	-51.34	355.62	4.00	-47.34
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007609796	0	39	-1.0	-53.13	345.81	4.38	-48.75
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300007609797	0	41	-1.0	-51.04	360.45	4.83	-46.21
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300007609798	0	41	-1.0	-48.18	357.08	6.69	-41.49
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300007609799	0	41	-1.0	-51.50	360.39	5.94	-45.56
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300007609800	0	41	-1.0	-48.99	359.36	5.60	-43.39
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)C	REAL300007609801	0	44	-1.0	-53.75	358.77	6.16	-47.59
COCCN(CCC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300007609802	0	47	-1.0	-53.68	377.77	1.09	-52.59
CCOC1=CC=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300007609803	0	42	-1.0	-56.03	356.30	4.31	-51.72
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CCOC)N=C1	REAL300007609804	0	42	-1.0	-51.21	353.17	1.59	-49.62
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007609805	0	42	-1.0	-57.81	369.19	4.63	-53.18
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007609806	0	43	-1.0	-55.89	377.56	6.29	-49.60
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007609807	0	40	-1.0	-51.04	346.12	4.46	-46.58
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007609808	0	38	-1.0	-51.09	349.38	5.45	-45.64
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007609809	0	38	-1.0	-52.31	344.63	5.40	-46.91
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007609810	0	42	-1.0	-61.99	369.49	1.96	-60.03
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300007609811	0	38	-1.0	-52.40	347.54	5.37	-47.03
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300007609812	0	38	-1.0	-50.07	338.50	5.44	-44.63
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300007609813	0	42	-1.0	-51.18	351.40	4.14	-47.04
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300007609814	0	39	-1.0	-49.38	354.86	4.06	-45.32
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300007609815	0	43	-1.0	-54.85	375.13	3.92	-50.93
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007609816	0	38	-1.0	-50.61	348.93	3.98	-46.63
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007609817	0	38	-1.0	-49.43	336.17	3.07	-46.36
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007609818	0	46	-1.0	-52.62	382.40	5.35	-47.27
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007609819	0	38	-1.0	-59.45	338.77	4.12	-55.33
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007609820	0	46	-1.0	-53.09	377.14	2.86	-50.23
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007609821	0	47	-1.0	-56.60	408.04	4.13	-52.47
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300007609822	0	39	-1.0	-52.32	334.80	4.82	-47.50
CCC1=CC=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300007609823	0	41	-1.0	-52.26	347.72	5.52	-46.74
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007609824	0	43	-1.0	-54.57	383.78	0.86	-53.71
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007609825	0	46	-1.0	-66.50	389.76	3.97	-62.53
CCC1=CC=C(CS(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007609826	0	44	-1.0	-53.82	370.73	6.28	-47.54
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CS1	REAL300007609827	0	38	-1.0	-52.89	339.57	4.71	-48.18
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCOC)CCC(=O)[O-])=C1	REAL300007609828	0	44	-1.0	-55.55	387.10	2.51	-53.04
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300007609829	0	45	-1.0	-58.47	390.36	1.57	-56.90
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C(C)=C1	REAL300007609830	0	44	-1.0	-54.31	366.26	6.04	-48.27
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300007609831	0	49	-1.0	-55.94	413.00	7.15	-48.79
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007609832	0	39	-1.0	-52.61	356.14	4.84	-47.77
COCCN(CCC(=O)[O-])S(=O)(=O)N(C)C1CCCC1	REAL300007609833	0	43	-1.0	-51.20	337.31	3.62	-47.58
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1	REAL300007609834	0	44	-1.0	-48.44	349.34	3.04	-45.40
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC(C)=NO1	REAL300007609835	0	37	-1.0	-56.44	325.01	2.99	-53.45
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300007609836	0	47	-1.0	-53.21	395.51	5.62	-47.59
CCS(=O)(=O)NCCS(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007609837	0	42	-1.0	-60.91	368.17	-1.14	-62.05
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300007609838	0	41	-1.0	-48.55	354.11	5.28	-43.27
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007609839	0	38	-1.0	-49.09	351.57	6.23	-42.86
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300007609840	0	41	-1.0	-55.16	366.24	6.78	-48.38
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007609841	0	38	-1.0	-48.61	353.59	5.86	-42.75
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007609842	0	41	-1.0	-56.97	362.70	7.02	-49.95
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1CCCO1	REAL300007609843	0	42	-1.0	-54.77	345.85	2.93	-51.84
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007609844	0	41	-1.0	-53.77	365.84	5.88	-47.89
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007609845	0	46	-1.0	-54.31	385.24	5.45	-48.86
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007609846	0	48	-1.0	-58.73	412.35	5.66	-53.07
COCCN(CCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007609847	0	46	-1.0	-57.23	404.10	1.18	-56.05
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300007609848	0	44	-1.0	-55.12	369.86	6.90	-48.22
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300007609849	0	46	-1.0	-51.19	379.43	4.73	-46.46
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007609850	0	41	-1.0	-50.33	365.77	6.06	-44.27
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007609851	0	40	-1.0	-55.76	341.85	1.16	-54.60
COCCN(CCC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300007609852	0	48	-1.0	-51.26	388.83	4.58	-46.68
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300007609853	0	42	-1.0	-53.54	359.04	4.44	-49.10
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007609854	0	44	-1.0	-61.02	388.77	2.35	-58.67
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300007609855	0	39	-1.0	-49.37	360.04	5.55	-43.82
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007609856	0	47	-1.0	-48.23	374.05	5.22	-43.01
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007609857	0	43	-1.0	-55.48	376.10	2.61	-52.87
CCC1=NOC2=NC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C12	REAL300007609858	0	42	-1.0	-46.41	357.52	2.35	-44.06
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007609859	0	40	-1.0	-51.29	337.88	3.22	-48.07
CCC1=CC(CC)=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C(CC)=C1	REAL300007609860	0	53	-1.0	-51.96	407.94	8.46	-43.50
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007609861	0	42	-1.0	-59.50	353.11	4.22	-55.28
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007609862	0	41	-1.0	-50.62	370.29	2.87	-47.75
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007609863	0	44	-1.0	-58.69	371.46	7.89	-50.80
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300007609864	0	42	-1.0	-49.83	348.00	3.93	-45.90
COCCN(CCC(=O)[O-])S(=O)(=O)CC1(C)CCCCC1	REAL300007609865	0	47	-1.0	-52.18	353.93	5.61	-46.57
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007609866	0	44	-1.0	-54.20	362.06	5.46	-48.74
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007609868	0	43	-1.0	-52.49	374.44	5.33	-47.16
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300007609869	0	42	-1.0	-49.28	376.72	4.32	-44.96
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300007609870	0	41	-1.0	-57.27	354.81	5.55	-51.72
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007609872	0	35	-1.0	-46.08	338.00	4.30	-41.78
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007609873	0	48	-1.0	-53.64	392.83	7.42	-46.22
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007609874	0	46	-1.0	-51.79	386.20	4.85	-46.94
COCCN(CCC(=O)[O-])S(=O)(=O)CCCC(C)(C)C	REAL300007609875	0	46	-1.0	-50.73	366.40	5.06	-45.67
COCCN(CCC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007609876	0	44	-1.0	-63.18	365.22	1.28	-61.90
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007609877	0	38	-1.0	-53.38	341.53	4.57	-48.81
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1=C(C)N=CS1	REAL300007609878	0	40	-1.0	-52.62	353.10	3.34	-49.28
COCCN(CCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	REAL300007609879	0	45	-1.0	-51.25	349.00	5.58	-45.67
COCCN(CCC(=O)[O-])S(=O)(=O)CC1CC(F)(F)C1	REAL300007609880	0	38	-1.0	-52.08	329.62	4.07	-48.01
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300007609881	0	47	-1.0	-52.74	384.61	5.66	-47.08
COCCN(CCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300007609882	0	48	-1.0	-52.94	361.51	6.12	-46.82
COCCN(CCC(=O)[O-])S(=O)(=O)CCC1CCOC1	REAL300007609883	0	42	-1.0	-54.18	343.62	2.63	-51.55
COCCN(CCC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007609884	0	46	-1.0	-57.71	377.57	1.24	-56.47
COCCN(CCC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300007609885	0	44	-1.0	-49.74	355.78	5.54	-44.20
COCCN(CCC(=O)[O-])S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007609886	0	42	-1.0	-49.55	356.75	7.24	-42.31
CCC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007609887	0	43	-1.0	-60.96	367.38	5.92	-55.04
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007609888	0	35	-1.0	-49.81	321.57	4.60	-45.21
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007609889	0	35	-1.0	-49.74	326.14	4.71	-45.03
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007609890	0	37	-1.0	-49.81	333.05	4.75	-45.06
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007609891	0	41	-1.0	-53.30	350.84	6.37	-46.93
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007609892	0	37	-1.0	-60.35	333.15	4.76	-55.59
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300007609893	0	40	-1.0	-56.74	341.78	5.27	-51.47
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1	REAL300007609894	0	39	-1.0	-51.73	334.32	3.38	-48.35
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007609895	0	37	-1.0	-61.44	323.51	5.74	-55.70
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1	REAL300007609896	0	38	-1.0	-52.62	326.25	4.76	-47.86
CCOC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007609897	0	42	-1.0	-51.51	356.17	4.31	-47.20
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300007609898	0	47	-1.0	-50.47	356.06	6.32	-44.15
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300007609899	0	44	-1.0	-50.38	347.08	6.08	-44.30
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300007609900	0	50	-1.0	-52.39	389.77	6.92	-45.47
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007609901	0	38	-1.0	-49.15	343.90	5.10	-44.05
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C)=C1	REAL300007609902	0	38	-1.0	-52.49	326.25	4.75	-47.74
COCCN(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1	REAL300007609903	0	39	-1.0	-50.81	339.07	5.36	-45.45
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007609904	0	38	-1.0	-57.62	315.64	5.71	-51.91
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007609905	0	35	-1.0	-52.77	321.68	4.60	-48.17
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300007609906	0	40	-1.0	-56.78	345.29	4.49	-52.29
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1C	REAL300007609907	0	41	-1.0	-51.31	334.05	5.19	-46.12
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C)=C1	REAL300007609908	0	41	-1.0	-51.87	343.35	5.29	-46.58
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C=C1C	REAL300007609909	0	41	-1.0	-51.03	339.76	6.36	-44.67
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300007609910	0	41	-1.0	-49.05	360.44	4.83	-44.22
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007609911	0	47	-1.0	-51.15	381.14	6.41	-44.74
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300007609912	0	44	-1.0	-52.13	365.06	6.01	-46.12
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007609913	0	46	-1.0	-55.23	400.39	2.09	-53.14
CCCC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007609914	0	44	-1.0	-52.16	369.22	6.30	-45.86
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC	REAL300007609915	0	39	-1.0	-53.62	329.67	4.05	-49.57
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1	REAL300007609916	0	38	-1.0	-53.01	328.08	4.84	-48.17
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300007609917	0	39	-1.0	-49.84	354.73	4.04	-45.80
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300007609918	0	38	-1.0	-49.94	344.33	5.27	-44.67
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300007609919	0	49	-1.0	-52.33	414.94	7.60	-44.73
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007609920	0	39	-1.0	-50.37	350.80	3.88	-46.49
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300007609921	0	50	-1.0	-51.37	369.29	6.76	-44.61
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007609922	0	44	-1.0	-53.93	367.73	4.03	-49.90
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300007609923	0	51	-1.0	-54.58	405.81	6.36	-48.22
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300007609924	0	40	-1.0	-61.09	349.15	5.28	-55.81
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)NN=C1C	REAL300007609925	0	38	-1.0	-49.40	318.65	1.83	-47.57
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300007609926	0	39	-1.0	-53.31	350.95	4.67	-48.64
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300007609927	0	53	-1.0	-50.83	402.10	7.72	-43.11
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007609928	0	38	-1.0	-49.57	343.57	5.09	-44.48
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007609929	0	45	-1.0	-53.25	367.56	6.58	-46.67
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300007609930	0	43	-1.0	-55.02	359.12	3.34	-51.68
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300007609931	0	43	-1.0	-54.06	363.66	3.29	-50.77
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007609932	0	42	-1.0	-50.96	336.87	5.98	-44.98
COCCN(CCC(=O)[O-])S(=O)(=O)C1=C(C)ON=C1C	REAL300007609933	0	37	-1.0	-47.22	316.18	2.96	-44.26
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007609934	0	43	-1.0	-52.80	355.16	6.36	-46.44
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007609935	0	40	-1.0	-50.08	330.94	4.08	-46.00
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300007609936	0	50	-1.0	-52.05	408.29	7.59	-44.46
CCOC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1OCC	REAL300007609937	0	49	-1.0	-54.19	407.26	5.13	-49.06
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007609938	0	40	-1.0	-55.41	358.56	-0.12	-55.53
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1	REAL300007609939	0	43	-1.0	-58.48	369.34	5.93	-52.55
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300007609940	0	43	-1.0	-56.11	358.71	5.79	-50.32
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCCCCC1	REAL300007609941	0	43	-1.0	-49.78	337.19	4.80	-44.98
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300007609942	0	43	-1.0	-62.17	362.78	5.89	-56.28
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300007609943	0	41	-1.0	-59.23	354.46	5.06	-54.17
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300007609944	0	39	-1.0	-50.55	346.39	4.57	-45.98
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007609945	0	40	-1.0	-63.50	359.12	-0.95	-64.45
COCCN(CCC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007609946	0	43	-1.0	-52.56	372.30	5.48	-47.08
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007609947	0	44	-1.0	-50.34	359.41	5.26	-45.08
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300007609948	0	43	-1.0	-55.18	361.25	5.46	-49.72
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300007609949	0	43	-1.0	-60.46	358.61	6.91	-53.55
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCC(C)CC1	REAL300007609950	0	43	-1.0	-51.09	343.67	3.84	-47.25
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007609951	0	46	-1.0	-61.46	401.16	2.05	-59.41
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007609952	0	47	-1.0	-66.46	391.32	3.41	-63.05
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007609953	0	41	-1.0	-57.14	365.54	1.60	-55.54
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007609954	0	45	-1.0	-55.41	371.61	7.98	-47.43
COCCN(CCC(=O)[O-])S(=O)(=O)N1CC(C)CC(C)C1	REAL300007609955	0	46	-1.0	-52.74	357.90	4.81	-47.93
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007609956	0	41	-1.0	-56.09	345.81	6.49	-49.60
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007609957	0	45	-1.0	-53.30	379.00	7.50	-45.80
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1C	REAL300007609958	0	38	-1.0	-51.42	327.72	4.99	-46.43
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007609959	0	49	-1.0	-54.59	399.43	6.36	-48.23
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007609960	0	36	-1.0	-59.77	328.03	2.65	-57.12
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300007609961	0	39	-1.0	-53.45	346.39	4.57	-48.88
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC)=C1	REAL300007609962	0	39	-1.0	-52.12	334.33	3.38	-48.74
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007609963	0	50	-1.0	-52.12	395.26	6.87	-45.25
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300007609964	0	38	-1.0	-53.23	340.30	5.19	-48.04
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300007609965	0	45	-1.0	-51.36	374.11	4.93	-46.43
CCC1=CC=CC=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007609966	0	41	-1.0	-51.78	336.68	5.79	-45.99
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C	REAL300007609967	0	38	-1.0	-48.25	308.74	4.92	-43.33
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CN(C)C(C)=N1	REAL300007609968	0	38	-1.0	-60.39	318.33	2.93	-57.46
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007609969	0	38	-1.0	-51.21	344.81	5.35	-45.86
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007609970	0	36	-1.0	-62.59	320.54	3.00	-59.59
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007609971	0	40	-1.0	-57.18	341.40	5.25	-51.93
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300007609972	0	41	-1.0	-49.88	357.88	4.72	-45.16
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300007609973	0	39	-1.0	-50.10	340.53	3.46	-46.64
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300007609974	0	38	-1.0	-54.10	331.55	4.79	-49.31
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1	REAL300007609975	0	41	-1.0	-53.11	349.49	5.51	-47.60
COCCN(CCC(=O)[O-])S(=O)(=O)N1CCCCC1C	REAL300007609976	0	43	-1.0	-50.93	328.55	4.48	-46.45
CCCN(CCC)S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007609977	0	45	-1.0	-49.90	361.30	4.29	-45.61
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300007609978	0	51	-1.0	-54.57	414.09	7.39	-47.18
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007609979	0	38	-1.0	-50.34	360.00	5.80	-44.54
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300007609980	0	45	-1.0	-55.03	374.12	5.83	-49.20
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300007609981	0	40	-1.0	-48.17	346.57	6.36	-41.81
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300007609982	0	40	-1.0	-51.98	344.10	5.43	-46.55
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007609983	0	43	-1.0	-53.52	366.43	6.50	-47.02
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300007609984	0	47	-1.0	-52.20	386.03	6.77	-45.43
COCCC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007609985	0	45	-1.0	-50.75	380.94	5.43	-45.32
COCCN(CCOC)S(=O)(=O)N(CCOC)CCC(=O)[O-]	REAL300007609986	0	47	-1.0	-49.73	380.50	1.30	-48.43
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300007609987	0	38	-1.0	-48.89	329.36	5.05	-43.84
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300007609988	0	45	-1.0	-50.01	364.77	4.98	-45.03
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300007609989	0	51	-1.0	-52.01	416.74	6.41	-45.60
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007609990	0	49	-1.0	-51.72	399.57	6.31	-45.41
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300007609991	0	48	-1.0	-52.19	397.78	5.81	-46.38
CCCOC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007609992	0	45	-1.0	-52.21	377.68	5.11	-47.10
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300007609993	0	39	-1.0	-49.85	350.34	3.93	-45.92
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007609994	0	39	-1.0	-51.57	360.11	4.20	-47.37
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300007609995	0	42	-1.0	-53.07	354.39	4.13	-48.94
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300007609996	0	48	-1.0	-52.69	394.17	5.68	-47.01
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300007609997	0	42	-1.0	-51.35	342.10	3.85	-47.50
COCCOC1=CC=C(S(=O)(=O)N(CCOC)CCC(=O)[O-])C=C1	REAL300007609998	0	46	-1.0	-53.17	389.80	3.58	-49.59
COCCN(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300007609999	0	38	-1.0	-53.47	333.15	4.87	-48.60
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300007610000	0	38	-1.0	-48.27	339.64	6.30	-41.97
COC1=CC=C(F)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610408	0	38	-1.0	-52.48	316.15	5.18	-47.30
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610409	0	45	-1.0	-52.90	362.72	5.65	-47.25
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007610410	0	45	-1.0	-53.77	380.09	2.21	-51.56
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007610411	0	52	-1.0	-47.36	370.79	6.78	-40.58
CC1=NC2=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300007610412	0	42	-1.0	-58.06	343.00	6.93	-51.13
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007610413	0	42	-1.0	-62.93	352.01	7.18	-55.75
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007610414	0	45	-1.0	-52.84	365.01	3.78	-49.06
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610415	0	48	-1.0	-52.64	402.39	6.38	-46.26
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610416	0	48	-1.0	-55.07	393.96	6.38	-48.69
CCCN1C=NC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610417	0	40	-1.0	-51.93	334.83	6.02	-45.91
COCCOCCOCCS(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610418	0	48	-1.0	-54.89	395.73	2.61	-52.28
CC(COC1CCCC1)CS(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610419	0	50	-1.0	-48.30	385.39	6.54	-41.76
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610420	0	41	-1.0	-49.20	356.09	5.55	-43.65
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007610421	0	42	-1.0	-49.66	345.90	3.00	-46.66
COC1=CC(Br)=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610422	0	38	-1.0	-49.98	338.66	5.17	-44.81
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007610423	0	38	-1.0	-51.17	325.91	5.45	-45.72
COC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300007610424	0	40	-1.0	-48.24	340.31	5.91	-42.33
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610425	0	40	-1.0	-47.00	334.05	6.66	-40.34
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610426	0	40	-1.0	-50.72	340.89	7.09	-43.63
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300007610427	0	40	-1.0	-46.47	339.22	6.67	-39.80
CC(C)C1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610428	0	43	-1.0	-52.94	340.77	7.27	-45.67
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300007610429	0	46	-1.0	-52.75	360.96	2.26	-50.49
CCOC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610430	0	41	-1.0	-54.55	339.18	5.48	-49.07
COCCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=N1	REAL300007610431	0	41	-1.0	-49.55	347.61	2.86	-46.69
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007610432	0	41	-1.0	-50.60	349.16	5.70	-44.90
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007610433	0	42	-1.0	-51.85	358.05	7.35	-44.50
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007610434	0	39	-1.0	-48.76	325.98	5.53	-43.23
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007610435	0	37	-1.0	-48.37	329.63	6.53	-41.84
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007610436	0	37	-1.0	-51.44	327.84	6.56	-44.88
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007610437	0	41	-1.0	-61.21	352.48	3.11	-58.10
CC1=CC(Br)=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610438	0	37	-1.0	-50.75	330.57	6.52	-44.23
CC1=C(Br)C=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610439	0	37	-1.0	-47.21	310.68	6.34	-40.87
COCC1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610440	0	41	-1.0	-51.27	332.22	5.33	-45.94
COC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1Br	REAL300007610441	0	38	-1.0	-46.88	334.71	5.13	-41.75
COC1=CC(OC)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Cl	REAL300007610442	0	42	-1.0	-53.20	355.21	4.98	-48.22
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007610443	0	37	-1.0	-51.41	331.81	4.31	-47.10
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007610444	0	37	-1.0	-50.52	325.78	4.14	-46.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007610445	0	45	-1.0	-49.89	365.12	6.48	-43.41
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007610446	0	37	-1.0	-58.11	324.12	4.34	-53.77
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610447	0	45	-1.0	-60.07	364.63	3.90	-56.17
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610448	0	46	-1.0	-55.40	388.44	4.38	-51.02
CSC1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610449	0	38	-1.0	-54.94	317.11	5.91	-49.03
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007610450	0	42	-1.0	-52.41	363.48	1.95	-50.46
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610451	0	48	-1.0	-53.08	403.92	2.95	-50.13
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007610452	0	45	-1.0	-66.92	372.50	5.13	-61.79
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1F	REAL300007610453	0	45	-1.0	-51.42	384.96	2.85	-48.57
CCC1=CC=C(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610454	0	43	-1.0	-52.84	353.92	7.45	-45.39
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CS1	REAL300007610455	0	37	-1.0	-51.77	322.76	5.88	-45.89
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007610456	0	49	-1.0	-49.67	401.58	5.70	-43.97
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007610457	0	46	-1.0	-54.23	378.42	5.00	-49.23
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610458	0	43	-1.0	-61.06	369.99	3.68	-57.38
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610459	0	44	-1.0	-56.59	370.47	2.63	-53.96
CC1=CC=C(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007610460	0	43	-1.0	-50.93	346.75	7.12	-43.81
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Br	REAL300007610461	0	41	-1.0	-51.76	356.56	6.05	-45.71
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300007610462	0	48	-1.0	-48.96	392.97	8.22	-40.74
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007610463	0	38	-1.0	-50.70	336.23	5.90	-44.80
COC1=CC=C(Br)C(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610464	0	41	-1.0	-53.92	357.24	5.87	-48.05
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1	REAL300007610465	0	43	-1.0	-48.87	334.00	3.45	-45.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007610466	0	48	-1.0	-50.13	397.81	7.12	-43.01
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610467	0	41	-1.0	-52.05	349.22	6.29	-45.76
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300007610468	0	46	-1.0	-51.89	378.58	6.78	-45.11
CCS(=O)(=O)NCCS(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610469	0	41	-1.0	-58.03	348.42	-0.08	-58.11
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300007610470	0	40	-1.0	-48.26	342.34	6.46	-41.80
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007610471	0	37	-1.0	-50.44	343.49	7.18	-43.26
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300007610472	0	40	-1.0	-53.56	350.95	8.04	-45.52
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007610473	0	37	-1.0	-46.71	332.37	6.81	-39.90
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007610474	0	40	-1.0	-49.49	335.32	7.61	-41.88
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007610475	0	40	-1.0	-49.86	345.80	6.95	-42.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007610476	0	45	-1.0	-53.24	368.43	6.63	-46.61
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007610477	0	48	-1.0	-51.03	396.12	8.67	-42.36
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007610478	0	47	-1.0	-56.19	392.20	6.73	-49.46
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007610479	0	45	-1.0	-56.21	384.58	2.24	-53.97
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300007610480	0	43	-1.0	-47.73	349.57	7.95	-39.78
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1N(C)C	REAL300007610481	0	45	-1.0	-50.14	359.39	5.82	-44.32
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007610482	0	40	-1.0	-53.78	348.72	7.23	-46.55
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007610483	0	39	-1.0	-54.31	322.45	2.23	-52.08
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300007610484	0	47	-1.0	-47.96	369.31	5.65	-42.31
COC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Cl	REAL300007610485	0	41	-1.0	-50.19	337.88	5.65	-44.54
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007610486	0	43	-1.0	-58.40	369.02	3.42	-54.98
CSC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Cl	REAL300007610487	0	38	-1.0	-51.66	339.99	6.64	-45.02
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610488	0	46	-1.0	-49.50	357.39	5.60	-43.90
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007610489	0	42	-1.0	-47.90	359.00	3.80	-44.10
CCC1=NOC2=NC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C12	REAL300007610490	0	41	-1.0	-52.68	349.09	2.96	-49.72
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007610491	0	45	-1.0	-48.29	384.20	5.05	-43.24
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007610492	0	39	-1.0	-49.68	332.02	4.37	-45.31
CCC1=CC(CC)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(CC)=C1	REAL300007610493	0	52	-1.0	-46.58	376.72	9.11	-37.47
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007610494	0	41	-1.0	-58.18	333.80	5.27	-52.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007610495	0	40	-1.0	-48.30	356.46	3.32	-44.98
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007610496	0	43	-1.0	-60.29	351.98	9.05	-51.24
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1F	REAL300007610497	0	41	-1.0	-51.88	327.76	5.12	-46.76
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1(C)CCCCC1	REAL300007610498	0	46	-1.0	-51.16	337.11	6.77	-44.39
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007610499	0	43	-1.0	-52.39	348.75	6.65	-45.74
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007610501	0	42	-1.0	-50.43	357.30	6.53	-43.90
COCC1=CC(Cl)=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610502	0	41	-1.0	-51.22	359.66	5.48	-45.74
CC1=CC=C(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)C(F)=C1	REAL300007610503	0	40	-1.0	-56.56	337.73	6.70	-49.86
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007610505	0	34	-1.0	-46.00	320.43	5.44	-40.56
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007610506	0	47	-1.0	-50.49	373.32	8.48	-42.01
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007610507	0	45	-1.0	-54.49	366.45	5.92	-48.57
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007610508	0	43	-1.0	-62.20	348.41	2.45	-59.75
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007610509	0	37	-1.0	-47.28	321.37	5.65	-41.63
CC1=C(CCS(=O)(=O)N(CCC(=O)[O-])C(C)C)SC=N1	REAL300007610510	0	39	-1.0	-52.15	336.05	4.51	-47.64
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	REAL300007610511	0	44	-1.0	-48.61	329.25	6.65	-41.96
COC1=CC=C2C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)CCC2=C1	REAL300007610512	0	46	-1.0	-50.38	364.64	6.74	-43.64
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300007610513	0	47	-1.0	-51.95	344.70	7.28	-44.67
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007610514	0	45	-1.0	-65.20	357.82	2.29	-62.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300007610515	0	43	-1.0	-48.59	338.46	6.35	-42.24
CC(C)N(CCC(=O)[O-])S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007610516	0	41	-1.0	-50.56	334.98	7.30	-43.26
CCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007610517	0	42	-1.0	-58.65	346.86	6.98	-51.67
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007610518	0	34	-1.0	-48.33	304.54	5.76	-42.57
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007610519	0	34	-1.0	-48.21	309.10	5.87	-42.34
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007610520	0	36	-1.0	-47.05	313.01	5.82	-41.23
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007610521	0	40	-1.0	-51.10	330.69	7.44	-43.66
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007610522	0	36	-1.0	-57.31	316.05	5.93	-51.38
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610523	0	39	-1.0	-42.66	317.51	6.19	-36.47
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610524	0	38	-1.0	-48.30	314.29	4.45	-43.85
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007610525	0	36	-1.0	-63.38	303.88	6.89	-56.49
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610526	0	41	-1.0	-51.25	351.74	6.62	-44.63
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610527	0	41	-1.0	-49.81	336.13	5.39	-44.42
CC1=CC(C)=C(C)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1C	REAL300007610528	0	46	-1.0	-48.08	336.29	7.35	-40.73
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1	REAL300007610529	0	43	-1.0	-49.83	329.44	7.17	-42.66
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610530	0	49	-1.0	-46.53	365.51	7.84	-38.69
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007610531	0	37	-1.0	-52.58	326.56	6.26	-46.32
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007610532	0	37	-1.0	-54.68	312.39	6.56	-48.12
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007610533	0	34	-1.0	-51.41	304.56	5.78	-45.63
CC(=O)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610534	0	39	-1.0	-55.08	327.52	5.65	-49.43
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007610535	0	40	-1.0	-46.45	340.30	5.91	-40.54
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007610536	0	46	-1.0	-48.88	360.99	7.49	-41.39
CC(C)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610537	0	43	-1.0	-48.88	345.02	7.08	-41.80
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007610538	0	45	-1.0	-53.15	380.38	3.15	-50.00
CCCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610539	0	43	-1.0	-48.82	349.17	7.38	-41.44
COC1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610540	0	38	-1.0	-53.91	310.35	5.13	-48.78
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Br	REAL300007610541	0	38	-1.0	-51.90	334.69	5.13	-46.77
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1Br	REAL300007610542	0	37	-1.0	-46.63	324.29	6.35	-40.28
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C2)=C1	REAL300007610543	0	48	-1.0	-50.48	398.80	8.80	-41.68
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007610544	0	38	-1.0	-45.52	330.75	4.96	-40.56
CC1=C(C)C(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1C	REAL300007610545	0	49	-1.0	-49.03	349.61	7.80	-41.23
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007610546	0	43	-1.0	-51.58	347.58	5.12	-46.46
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610547	0	50	-1.0	-52.85	385.80	7.42	-45.43
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007610548	0	39	-1.0	-58.71	329.01	6.37	-52.34
COC1=CC=C(Br)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610549	0	38	-1.0	-51.58	331.06	5.73	-45.85
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610550	0	52	-1.0	-47.41	379.87	8.67	-38.74
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007610551	0	37	-1.0	-46.48	323.53	6.16	-40.32
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007610552	0	44	-1.0	-51.66	350.55	7.75	-43.91
COC1=CC=C(OC)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610553	0	42	-1.0	-54.81	339.21	4.40	-50.41
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1OC	REAL300007610554	0	42	-1.0	-51.67	343.51	4.37	-47.30
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007610555	0	41	-1.0	-52.07	333.41	7.14	-44.93
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007610556	0	42	-1.0	-49.10	335.16	7.44	-41.66
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007610557	0	39	-1.0	-51.30	323.99	5.10	-46.20
CC(C)CCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610558	0	49	-1.0	-48.78	388.24	8.67	-40.11
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1OCC	REAL300007610559	0	48	-1.0	-48.79	387.22	6.21	-42.58
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007610560	0	39	-1.0	-54.08	339.02	0.12	-53.96
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1C	REAL300007610561	0	42	-1.0	-48.20	352.11	7.06	-41.14
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1C	REAL300007610562	0	42	-1.0	-47.45	340.18	6.86	-40.59
CC1=CC2=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C2N=C1	REAL300007610563	0	42	-1.0	-54.52	342.75	6.98	-47.54
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300007610564	0	40	-1.0	-59.82	333.35	6.19	-53.63
COC1=CC(Cl)=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610565	0	38	-1.0	-50.34	327.05	5.63	-44.71
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007610566	0	39	-1.0	-59.76	342.07	0.21	-59.55
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007610567	0	46	-1.0	-50.47	386.08	2.77	-47.70
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007610568	0	42	-1.0	-51.95	354.85	6.78	-45.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007610569	0	43	-1.0	-49.59	334.95	6.14	-43.45
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300007610570	0	42	-1.0	-51.04	333.75	6.05	-44.99
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007610571	0	42	-1.0	-56.91	334.64	7.84	-49.07
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007610572	0	45	-1.0	-51.03	381.11	3.12	-47.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007610573	0	46	-1.0	-50.79	371.29	4.49	-46.30
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007610574	0	40	-1.0	-61.52	348.53	2.78	-58.74
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007610575	0	44	-1.0	-54.87	358.29	9.10	-45.77
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CC(C)CC(C)C1	REAL300007610576	0	45	-1.0	-50.22	343.49	5.80	-44.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007610577	0	40	-1.0	-51.01	318.56	7.10	-43.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007610578	0	44	-1.0	-50.52	358.96	8.58	-41.94
CC1=CC=C(F)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610579	0	37	-1.0	-50.79	308.21	6.15	-44.64
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007610580	0	48	-1.0	-49.90	372.02	6.95	-42.95
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007610581	0	35	-1.0	-58.01	308.63	3.71	-54.30
COC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610582	0	38	-1.0	-51.65	326.48	5.63	-46.02
COC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610583	0	38	-1.0	-53.53	314.29	4.46	-49.07
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610584	0	49	-1.0	-48.77	375.22	7.94	-40.83
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Cl	REAL300007610585	0	37	-1.0	-45.89	320.26	6.26	-39.63
CC(C)OC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610586	0	44	-1.0	-49.88	353.88	6.01	-43.87
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007610587	0	37	-1.0	-48.47	325.06	6.42	-42.05
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007610588	0	35	-1.0	-60.58	301.08	4.08	-56.50
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007610589	0	39	-1.0	-55.92	342.65	7.88	-48.04
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007610590	0	39	-1.0	-57.86	321.62	6.33	-51.53
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007610591	0	45	-1.0	-51.91	390.87	8.61	-43.30
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610592	0	40	-1.0	-49.31	338.54	5.80	-43.51
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1F	REAL300007610593	0	38	-1.0	-53.41	320.50	4.54	-48.87
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1F	REAL300007610594	0	37	-1.0	-45.78	311.51	5.86	-39.92
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007610595	0	45	-1.0	-47.97	391.03	8.57	-39.40
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C2)C=C1	REAL300007610596	0	49	-1.0	-49.59	403.82	7.34	-42.25
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300007610597	0	61	-1.0	-50.05	438.37	10.94	-39.11
CC(C)OC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007610598	0	50	-1.0	-51.35	385.80	8.03	-43.32
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007610599	0	37	-1.0	-47.41	340.25	6.88	-40.53
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007610600	0	44	-1.0	-51.21	346.91	6.45	-44.76
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610601	0	39	-1.0	-46.73	323.53	6.33	-40.40
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610602	0	39	-1.0	-46.89	315.21	6.30	-40.59
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610603	0	42	-1.0	-51.32	336.74	7.38	-43.94
CC(C)CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610604	0	46	-1.0	-48.89	365.94	7.84	-41.05
COCCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610605	0	44	-1.0	-49.35	361.34	5.68	-43.67
COCCN(CCOC)S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610606	0	46	-1.0	-47.56	355.73	2.28	-45.28
CC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610607	0	37	-1.0	-50.32	318.55	6.60	-43.72
COC1=C(C)C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007610608	0	44	-1.0	-50.49	361.44	6.13	-44.36
CC(C)CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610609	0	50	-1.0	-47.81	396.70	7.48	-40.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007610610	0	48	-1.0	-49.35	379.15	7.36	-41.99
CC(C)COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610611	0	47	-1.0	-47.88	377.74	6.88	-41.00
CCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610612	0	44	-1.0	-47.91	357.64	6.18	-41.73
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Cl	REAL300007610613	0	38	-1.0	-52.06	330.31	5.02	-47.04
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007610614	0	38	-1.0	-51.27	343.10	5.39	-45.88
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007610615	0	41	-1.0	-48.52	334.35	5.21	-43.31
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300007610616	0	47	-1.0	-48.63	373.79	6.76	-41.87
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1	REAL300007610617	0	41	-1.0	-50.19	324.77	4.98	-45.21
COCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610618	0	45	-1.0	-52.16	369.75	4.66	-47.50
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300007610619	0	37	-1.0	-52.68	316.34	6.04	-46.64
CC1=CC(Br)=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610620	0	37	-1.0	-47.20	316.60	6.29	-40.91
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1C	REAL300007610621	0	42	-1.0	-61.85	326.16	7.33	-54.52
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610622	0	43	-1.0	-52.41	350.00	3.04	-49.37
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007610623	0	46	-1.0	-53.36	393.79	3.00	-50.36
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610624	0	42	-1.0	-53.79	361.39	1.32	-52.47
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610625	0	42	-1.0	-54.34	345.37	3.38	-50.96
CC1=NC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)S1	REAL300007610626	0	36	-1.0	-49.60	308.73	3.67	-45.93
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007610627	0	37	-1.0	-49.01	315.49	6.31	-42.70
COC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1F	REAL300007610628	0	38	-1.0	-47.03	320.51	4.53	-42.50
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007610629	0	44	-1.0	-54.90	362.03	8.67	-46.23
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007610630	0	37	-1.0	-47.95	341.79	6.92	-41.03
CC1=NC(C2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)S2)=CS1	REAL300007610631	0	40	-1.0	-50.63	364.69	5.74	-44.89
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007610632	0	54	-1.0	-49.52	419.36	8.78	-40.74
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610633	0	42	-1.0	-59.71	343.40	6.97	-52.74
CNC(=O)C1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CN1C	REAL300007610634	0	42	-1.0	-51.21	348.96	2.79	-48.42
COC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1	REAL300007610635	0	44	-1.0	-48.51	333.09	5.64	-42.87
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007610636	0	45	-1.0	-51.46	371.89	9.35	-42.11
COC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007610637	0	44	-1.0	-50.20	341.94	5.84	-44.36
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300007610638	0	42	-1.0	-48.54	328.92	6.29	-42.25
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007610639	0	39	-1.0	-55.73	322.00	5.91	-49.82
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007610640	0	47	-1.0	-56.85	387.68	9.08	-47.77
CCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300007610641	0	39	-1.0	-58.88	338.13	5.99	-52.89
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007610642	0	41	-1.0	-51.45	355.70	5.85	-45.60
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007610643	0	48	-1.0	-50.89	396.04	8.43	-42.46
CCC(=O)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610644	0	42	-1.0	-63.15	350.91	6.53	-56.62
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007610645	0	44	-1.0	-50.36	373.83	6.81	-43.55
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007610646	0	37	-1.0	-55.89	307.57	4.16	-51.73
CC(C)CCN(CCC(C)C)S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610647	0	56	-1.0	-49.41	421.89	8.04	-41.37
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007610648	0	42	-1.0	-58.74	361.95	1.78	-56.96
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007610649	0	37	-1.0	-48.61	314.74	5.98	-42.63
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007610650	0	47	-1.0	-51.08	368.75	7.39	-43.69
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610651	0	44	-1.0	-51.91	351.87	6.66	-45.25
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007610652	0	39	-1.0	-66.82	336.10	5.44	-61.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007610653	0	41	-1.0	-53.94	348.42	6.35	-47.59
CCOCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610654	0	48	-1.0	-52.16	391.61	5.62	-46.54
CCCCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610655	0	50	-1.0	-47.80	400.64	7.74	-40.06
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007610656	0	44	-1.0	-53.06	341.83	7.86	-45.20
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007610657	0	40	-1.0	-51.62	335.66	7.08	-44.54
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007610658	0	38	-1.0	-45.22	341.16	6.63	-38.59
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007610659	0	39	-1.0	-49.53	323.64	4.53	-45.00
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007610660	0	42	-1.0	-57.45	350.93	6.54	-50.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007610661	0	40	-1.0	-52.80	321.87	1.38	-51.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007610662	0	39	-1.0	-49.15	333.05	5.34	-43.81
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1	REAL300007610663	0	44	-1.0	-49.87	346.49	5.89	-43.98
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610664	0	42	-1.0	-59.85	364.44	1.43	-58.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007610665	0	38	-1.0	-50.62	320.08	5.40	-45.22
CSC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610666	0	38	-1.0	-47.73	324.99	6.18	-41.55
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007610667	0	40	-1.0	-48.47	347.39	6.93	-41.54
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610668	0	45	-1.0	-49.98	353.03	6.85	-43.13
CCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)N=C1C	REAL300007610669	0	40	-1.0	-57.75	333.56	5.03	-52.72
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007610670	0	40	-1.0	-51.79	322.58	4.84	-46.95
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007610671	0	39	-1.0	-53.38	321.91	5.80	-47.58
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007610672	0	46	-1.0	-50.54	374.39	7.02	-43.52
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300007610673	0	40	-1.0	-45.31	339.21	6.68	-38.63
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007610674	0	40	-1.0	-52.72	361.09	5.95	-46.77
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007610675	0	43	-1.0	-50.24	352.66	6.85	-43.39
CC1=NN(C)C2=NC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C12	REAL300007610676	0	42	-1.0	-49.43	353.99	4.97	-44.46
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610677	0	41	-1.0	-53.78	355.93	5.88	-47.90
COCC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610678	0	41	-1.0	-53.20	342.89	4.98	-48.22
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007610679	0	45	-1.0	-57.92	361.49	6.59	-51.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007610680	0	37	-1.0	-51.64	324.59	6.45	-45.19
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007610681	0	46	-1.0	-58.05	381.38	3.67	-54.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007610682	0	41	-1.0	-51.64	357.03	5.80	-45.84
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007610683	0	42	-1.0	-54.65	338.65	5.75	-48.90
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007610684	0	37	-1.0	-50.88	335.25	6.80	-44.08
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300007610685	0	42	-1.0	-51.08	344.91	5.85	-45.23
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610686	0	46	-1.0	-46.64	331.79	7.71	-38.93
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610687	0	46	-1.0	-54.30	375.31	4.13	-50.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007610688	0	45	-1.0	-50.71	394.10	8.64	-42.07
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007610689	0	40	-1.0	-50.10	354.09	5.93	-44.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007610690	0	40	-1.0	-52.42	371.42	6.40	-46.02
CC1=NC(C2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C2)=CO1	REAL300007610691	0	43	-1.0	-56.40	361.17	4.22	-52.18
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007610692	0	37	-1.0	-54.75	328.73	4.02	-50.73
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007610693	0	37	-1.0	-49.23	314.99	5.58	-43.65
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007610694	0	37	-1.0	-49.21	313.91	3.91	-45.30
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=N1	REAL300007610695	0	37	-1.0	-50.02	315.04	1.94	-48.08
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCN12	REAL300007610696	0	38	-1.0	-55.05	315.99	4.70	-50.35
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007610697	0	42	-1.0	-51.71	341.53	5.89	-45.82
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007610698	0	41	-1.0	-51.74	329.84	7.05	-44.69
CC1=CC=C(N2C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=N2)C=C1	REAL300007610699	0	44	-1.0	-50.70	369.83	7.04	-43.66
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007610700	0	42	-1.0	-51.90	358.58	6.27	-45.63
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300007610701	0	39	-1.0	-47.72	331.75	6.44	-41.28
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=N1	REAL300007610702	0	45	-1.0	-56.73	375.41	6.00	-50.73
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007610703	0	36	-1.0	-51.79	319.85	4.73	-47.06
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300007610704	0	42	-1.0	-50.73	336.27	5.57	-45.16
CC1=CC2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C2C=C1	REAL300007610705	0	43	-1.0	-51.03	352.03	8.09	-42.94
COC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)SC=C1	REAL300007610706	0	35	-1.0	-55.71	309.14	3.94	-51.77
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300007610707	0	42	-1.0	-52.59	339.33	5.65	-46.94
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007610708	0	39	-1.0	-56.31	319.97	5.18	-51.13
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007610709	0	39	-1.0	-57.63	331.68	5.25	-52.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007610710	0	39	-1.0	-51.09	323.66	5.08	-46.01
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007610711	0	40	-1.0	-48.61	346.56	7.20	-41.41
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007610712	0	46	-1.0	-49.91	358.71	5.73	-44.18
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007610713	0	36	-1.0	-49.94	322.59	4.47	-45.47
COC1=CC=CC(OC)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610714	0	42	-1.0	-57.83	341.15	5.74	-52.09
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610715	0	42	-1.0	-52.04	340.67	6.90	-45.14
CC1=CC=C(C)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300007610716	0	42	-1.0	-65.12	336.10	8.01	-57.11
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007610717	0	42	-1.0	-52.38	336.66	6.98	-45.40
COC1=CC=C(CCS(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610718	0	44	-1.0	-50.75	359.33	5.98	-44.77
COC1=CN=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610719	0	37	-1.0	-49.61	309.40	2.63	-46.98
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007610720	0	43	-1.0	-49.53	360.85	6.89	-42.64
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007610721	0	41	-1.0	-48.98	334.01	7.27	-41.71
COC1=CC(OC)=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610722	0	42	-1.0	-53.35	346.84	3.85	-49.50
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1CCCCC1	REAL300007610723	0	46	-1.0	-48.32	350.61	6.87	-41.45
CC1=CC=C(CCS(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610724	0	43	-1.0	-49.28	351.24	7.36	-41.92
CC1=CC2=C(C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C)OCO2	REAL300007610725	0	40	-1.0	-48.61	321.95	4.34	-44.27
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007610726	0	37	-1.0	-56.43	312.30	5.56	-50.87
COC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1Cl	REAL300007610727	0	38	-1.0	-46.88	330.32	5.01	-41.87
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007610728	0	40	-1.0	-55.28	336.13	6.58	-48.70
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300007610729	0	42	-1.0	-58.88	332.83	6.63	-52.25
CC1=NC2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C2O1	REAL300007610730	0	39	-1.0	-51.44	331.72	2.92	-48.52
CCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1CC	REAL300007610731	0	46	-1.0	-50.19	361.85	7.73	-42.46
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610732	0	42	-1.0	-46.23	336.27	7.16	-39.07
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610733	0	44	-1.0	-50.24	342.23	6.64	-43.60
CC1=C(C)SC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610734	0	37	-1.0	-51.75	320.81	5.63	-46.12
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007610735	0	35	-1.0	-47.02	301.08	3.18	-43.84
CCC1=NC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)S1	REAL300007610736	0	36	-1.0	-48.93	315.35	3.72	-45.21
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300007610737	0	41	-1.0	-53.30	336.63	5.07	-48.23
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)S1	REAL300007610738	0	37	-1.0	-46.88	310.17	5.68	-41.20
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007610739	0	40	-1.0	-58.79	334.53	7.31	-51.48
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007610740	0	37	-1.0	-55.59	312.41	3.89	-51.70
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC(C)=C1F	REAL300007610741	0	40	-1.0	-48.44	334.88	6.58	-41.86
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007610742	0	41	-1.0	-50.09	340.77	4.92	-45.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007610743	0	47	-1.0	-50.93	385.35	6.74	-44.19
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007610744	0	38	-1.0	-51.46	315.63	5.01	-46.45
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007610745	0	36	-1.0	-57.90	314.65	5.00	-52.90
CC1=NC(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)=CS1	REAL300007610746	0	36	-1.0	-50.29	314.91	3.59	-46.70
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007610747	0	37	-1.0	-51.87	327.77	6.53	-45.34
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1Cl	REAL300007610748	0	37	-1.0	-46.75	320.26	6.26	-40.49
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007610749	0	40	-1.0	-62.16	335.97	6.23	-55.93
CC1=CSC(C2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C2)=N1	REAL300007610750	0	43	-1.0	-48.87	371.01	6.63	-42.24
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007610751	0	42	-1.0	-52.40	331.26	6.43	-45.97
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007610752	0	41	-1.0	-58.55	352.97	3.10	-55.45
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007610753	0	43	-1.0	-50.40	343.20	5.62	-44.78
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007610754	0	37	-1.0	-51.43	330.89	6.52	-44.91
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610755	0	59	-1.0	-47.79	465.13	10.08	-37.71
CCC(C)OC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610756	0	47	-1.0	-54.75	377.82	6.91	-47.84
COC(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)C1CCCC1	REAL300007610757	0	47	-1.0	-49.43	359.55	5.66	-43.77
COC(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)C1CCCCC1	REAL300007610758	0	50	-1.0	-51.20	376.51	6.21	-44.99
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007610759	0	48	-1.0	-54.44	402.26	8.52	-45.92
CCOC(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)C1CC1	REAL300007610760	0	44	-1.0	-47.70	349.19	5.50	-42.20
CCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C(C)C	REAL300007610761	0	53	-1.0	-47.90	416.24	8.21	-39.69
CCC1=NC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CN1CC1CC1	REAL300007610762	0	47	-1.0	-53.85	381.97	7.04	-46.81
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007610763	0	37	-1.0	-50.23	327.60	4.75	-45.48
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300007610764	0	42	-1.0	-54.72	341.76	7.34	-47.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007610765	0	41	-1.0	-48.41	330.49	5.03	-43.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007610766	0	47	-1.0	-48.92	386.70	7.42	-41.50
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007610767	0	37	-1.0	-46.63	323.68	3.59	-43.04
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007610768	0	45	-1.0	-53.77	388.07	9.35	-44.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007610769	0	44	-1.0	-57.11	349.16	8.55	-48.56
CCC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300007610770	0	47	-1.0	-51.61	372.81	6.80	-44.81
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007610771	0	40	-1.0	-46.27	356.01	7.03	-39.24
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007610772	0	36	-1.0	-57.76	315.69	4.16	-53.60
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300007610773	0	43	-1.0	-49.56	333.63	8.17	-41.39
CC(C)OC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=N1	REAL300007610774	0	43	-1.0	-48.49	357.03	3.79	-44.70
COC1=C(F)C=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610775	0	38	-1.0	-47.10	313.15	5.36	-41.74
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C(C)C	REAL300007610776	0	50	-1.0	-48.13	394.74	7.41	-40.72
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007610777	0	46	-1.0	-45.53	363.01	7.41	-38.12
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007610778	0	53	-1.0	-52.55	412.89	9.82	-42.73
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007610779	0	44	-1.0	-49.24	342.34	5.15	-44.09
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007610780	0	46	-1.0	-53.28	359.07	5.57	-47.71
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007610781	0	44	-1.0	-49.19	355.28	5.60	-43.59
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007610782	0	37	-1.0	-44.12	313.37	3.93	-40.19
COC1=CC=C(F)C=C1CS(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610783	0	41	-1.0	-54.05	345.62	5.43	-48.62
C=CCCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610784	0	44	-1.0	-49.11	361.98	7.95	-41.16
CCC1=NN(C)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610785	0	40	-1.0	-52.03	324.91	4.10	-47.93
CCCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C(C)C	REAL300007610786	0	56	-1.0	-49.89	437.74	9.00	-40.89
CC(C)N(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007610787	0	38	-1.0	-49.71	336.49	6.94	-42.77
CCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300007610788	0	56	-1.0	-47.89	428.79	8.88	-39.01
CCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1CC	REAL300007610789	0	50	-1.0	-49.79	399.33	7.69	-42.10
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610790	0	40	-1.0	-44.95	320.39	6.86	-38.09
CC1=CC(Br)=CC=C1CS(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610791	0	40	-1.0	-51.68	348.12	7.19	-44.49
CC(C)N(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007610792	0	38	-1.0	-50.76	334.00	6.85	-43.91
CCCC1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610793	0	43	-1.0	-52.53	339.87	7.77	-44.76
COC1=NC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610794	0	37	-1.0	-54.05	308.09	2.51	-51.54
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610795	0	50	-1.0	-50.20	401.99	8.03	-42.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007610796	0	39	-1.0	-49.72	312.31	5.17	-44.55
CC1=CSC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610797	0	37	-1.0	-47.30	304.07	5.71	-41.59
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007610798	0	41	-1.0	-53.09	337.75	4.92	-48.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007610799	0	41	-1.0	-48.03	334.88	5.12	-42.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007610800	0	44	-1.0	-49.38	353.61	5.84	-43.54
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007610801	0	45	-1.0	-53.99	360.50	3.32	-50.67
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007610802	0	40	-1.0	-50.64	352.17	6.05	-44.59
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300007610803	0	41	-1.0	-53.13	332.22	5.28	-47.85
CCCCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C(C)C	REAL300007610804	0	59	-1.0	-47.73	459.24	9.78	-37.95
COC1=CC(C(C)C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007610805	0	50	-1.0	-51.13	378.73	7.04	-44.09
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610806	0	44	-1.0	-52.90	351.31	6.59	-46.31
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2OC(C)CC2=CC=C1	REAL300007610807	0	42	-1.0	-57.05	340.92	5.95	-51.10
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007610808	0	42	-1.0	-49.28	354.01	4.80	-44.48
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007610809	0	40	-1.0	-52.63	336.28	5.72	-46.91
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610810	0	39	-1.0	-58.05	323.57	4.57	-53.48
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007610811	0	43	-1.0	-49.66	333.71	5.20	-44.46
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007610812	0	38	-1.0	-50.74	338.16	5.64	-45.10
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007610813	0	35	-1.0	-49.12	302.74	4.04	-45.08
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007610814	0	37	-1.0	-53.66	326.71	6.69	-46.97
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007610815	0	41	-1.0	-49.14	332.61	4.76	-44.38
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1F	REAL300007610816	0	43	-1.0	-44.93	329.67	7.15	-37.78
COC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1OC	REAL300007610817	0	42	-1.0	-49.76	336.17	5.08	-44.68
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=COC2=CC=CC=C12	REAL300007610818	0	37	-1.0	-50.10	313.24	5.42	-44.68
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007610819	0	47	-1.0	-53.42	371.09	5.97	-47.45
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610820	0	46	-1.0	-49.51	363.08	5.74	-43.77
CCCCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=N1	REAL300007610821	0	46	-1.0	-52.16	369.31	5.81	-46.35
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007610822	0	41	-1.0	-50.22	330.88	4.80	-45.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007610823	0	38	-1.0	-49.46	324.03	4.74	-44.72
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007610824	0	39	-1.0	-68.10	328.62	3.78	-64.32
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Br	REAL300007610825	0	40	-1.0	-44.07	328.76	6.74	-37.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCCC(C)(C)C1	REAL300007610826	0	45	-1.0	-47.79	338.18	5.48	-42.31
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007610827	0	40	-1.0	-47.97	356.07	6.38	-41.59
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007610828	0	44	-1.0	-51.25	348.38	5.21	-46.04
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610829	0	52	-1.0	-51.00	391.17	9.01	-41.99
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007610830	0	40	-1.0	-52.37	359.03	7.13	-45.24
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007610831	0	44	-1.0	-49.58	361.85	5.90	-43.68
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007610832	0	38	-1.0	-50.01	321.03	6.34	-43.67
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007610833	0	45	-1.0	-53.45	379.55	8.11	-45.34
COC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300007610834	0	43	-1.0	-58.34	349.06	6.40	-51.94
CCCC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610835	0	43	-1.0	-51.74	352.22	7.47	-44.27
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007610836	0	41	-1.0	-48.73	325.95	4.53	-44.20
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007610837	0	43	-1.0	-50.23	332.16	4.88	-45.35
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007610838	0	43	-1.0	-49.76	352.35	4.96	-44.80
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007610839	0	41	-1.0	-49.97	324.01	3.83	-46.14
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300007610840	0	39	-1.0	-49.61	335.74	4.95	-44.66
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007610841	0	37	-1.0	-46.80	333.00	6.32	-40.48
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610842	0	45	-1.0	-62.94	372.41	7.29	-55.65
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007610843	0	45	-1.0	-52.65	356.44	8.32	-44.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007610844	0	40	-1.0	-49.67	350.27	6.29	-43.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007610845	0	40	-1.0	-48.91	324.75	5.54	-43.37
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007610846	0	41	-1.0	-53.71	340.33	3.64	-50.07
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007610847	0	34	-1.0	-53.03	308.87	5.42	-47.61
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007610848	0	41	-1.0	-50.83	334.01	7.27	-43.56
COC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=CS1	REAL300007610849	0	35	-1.0	-51.97	305.92	3.80	-48.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007610850	0	44	-1.0	-48.83	351.30	5.80	-43.03
CCC(C)N1N=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610851	0	43	-1.0	-48.87	344.77	5.02	-43.85
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300007610852	0	48	-1.0	-49.33	354.53	6.10	-43.23
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007610853	0	48	-1.0	-53.46	380.75	4.23	-49.23
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007610854	0	40	-1.0	-53.60	341.04	6.79	-46.81
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007610855	0	38	-1.0	-52.87	327.08	4.84	-48.03
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007610856	0	49	-1.0	-50.75	383.32	7.91	-42.84
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)S1	REAL300007610857	0	35	-1.0	-49.45	311.65	3.69	-45.76
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300007610858	0	45	-1.0	-56.79	353.64	7.43	-49.36
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007610859	0	42	-1.0	-49.16	338.84	5.18	-43.98
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(CCF)N=C1	REAL300007610860	0	37	-1.0	-53.00	320.53	3.94	-49.06
CCOCC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610861	0	44	-1.0	-53.28	364.75	5.95	-47.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007610862	0	44	-1.0	-48.73	361.30	6.40	-42.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007610863	0	47	-1.0	-52.34	374.24	6.18	-46.16
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007610864	0	45	-1.0	-48.90	373.15	8.03	-40.87
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CF	REAL300007610865	0	37	-1.0	-54.31	306.87	6.22	-48.09
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC(C)=C1Br	REAL300007610866	0	40	-1.0	-48.70	345.55	6.99	-41.71
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007610867	0	43	-1.0	-51.75	336.31	7.64	-44.11
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007610868	0	44	-1.0	-58.34	364.83	6.42	-51.92
CC(C)N(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007610869	0	38	-1.0	-47.08	325.65	6.52	-40.56
CC(C)N(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007610870	0	38	-1.0	-49.63	341.05	7.04	-42.59
CC(C)N(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007610871	0	38	-1.0	-46.71	340.53	7.07	-39.64
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007610872	0	39	-1.0	-55.71	327.77	-0.85	-56.56
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007610873	0	37	-1.0	-55.21	308.00	5.34	-49.87
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1CCC(F)(F)CC1	REAL300007610874	0	40	-1.0	-46.82	314.95	5.43	-41.39
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007610875	0	36	-1.0	-50.71	318.81	4.64	-46.07
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCOC1CCOC1	REAL300007610876	0	42	-1.0	-51.27	339.40	2.38	-48.89
CC1=NC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300007610877	0	43	-1.0	-57.16	361.93	4.42	-52.74
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007610878	0	51	-1.0	-52.47	364.28	8.15	-44.32
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1CC(C)(C)CO1	REAL300007610879	0	44	-1.0	-49.17	345.15	4.37	-44.80
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007610880	0	37	-1.0	-59.23	318.26	0.97	-58.26
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007610881	0	42	-1.0	-50.60	326.25	5.74	-44.86
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300007610882	0	42	-1.0	-61.48	357.73	2.10	-59.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007610883	0	47	-1.0	-51.87	358.84	5.53	-46.34
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007610884	0	44	-1.0	-48.20	355.10	7.48	-40.72
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007610885	0	38	-1.0	-60.11	335.26	4.33	-55.78
CC(C)N(CCC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007610886	0	44	-1.0	-52.54	367.70	8.12	-44.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007610887	0	43	-1.0	-52.99	337.02	2.63	-50.36
CC(C)N(CCC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007610888	0	47	-1.0	-48.83	351.96	7.18	-41.65
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007610889	0	38	-1.0	-47.59	329.08	6.50	-41.09
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007610890	0	56	-1.0	-49.35	414.38	9.33	-40.02
COC1=CC=C(C=C(C)S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610891	0	45	-1.0	-49.23	362.73	6.26	-42.97
COC1=CSC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1OC	REAL300007610892	0	39	-1.0	-50.19	331.84	3.03	-47.16
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007610893	0	46	-1.0	-48.95	342.81	5.58	-43.37
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007610894	0	45	-1.0	-50.05	367.60	7.11	-42.94
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007610895	0	38	-1.0	-49.08	331.16	6.15	-42.93
COC1=CC(F)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(F)=C1	REAL300007610896	0	38	-1.0	-52.38	325.53	4.81	-47.57
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007610897	0	38	-1.0	-47.66	330.27	4.80	-42.86
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007610898	0	40	-1.0	-48.85	326.21	5.06	-43.79
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007610899	0	41	-1.0	-55.83	341.57	7.01	-48.82
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007610900	0	43	-1.0	-50.49	366.72	5.74	-44.75
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610901	0	47	-1.0	-54.24	378.89	7.66	-46.58
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007610902	0	45	-1.0	-55.18	377.24	8.14	-47.04
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007610903	0	40	-1.0	-59.98	324.61	6.99	-52.99
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007610904	0	35	-1.0	-54.47	325.39	4.19	-50.28
C=C(C)COC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610905	0	45	-1.0	-55.52	371.16	6.87	-48.65
CCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300007610906	0	44	-1.0	-49.98	352.43	5.66	-44.32
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=NSN=C2C=C1	REAL300007610907	0	38	-1.0	-60.43	320.25	4.31	-56.12
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007610908	0	40	-1.0	-48.16	347.37	7.94	-40.22
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007610909	0	44	-1.0	-50.36	378.78	9.18	-41.18
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007610910	0	33	-1.0	-46.90	315.19	3.24	-43.66
CCC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1Br	REAL300007610911	0	40	-1.0	-48.39	346.86	7.13	-41.26
CC1=NN(C2CCCC2)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610912	0	47	-1.0	-48.29	372.89	6.38	-41.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CS1	REAL300007610913	0	31	-1.0	-47.27	294.06	4.70	-42.57
COCCC1=CC=C(OC)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610914	0	48	-1.0	-53.02	386.34	5.61	-47.41
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007610915	0	40	-1.0	-49.46	334.47	7.61	-41.85
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007610916	0	42	-1.0	-50.33	335.80	2.95	-47.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007610917	0	41	-1.0	-52.82	330.35	7.38	-45.44
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC(C)(C)CC1	REAL300007610918	0	45	-1.0	-49.23	338.11	5.20	-44.03
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007610919	0	49	-1.0	-50.36	386.49	5.54	-44.82
COC1=NC=C(Cl)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610920	0	37	-1.0	-47.79	324.35	3.00	-44.79
COC1=NC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007610921	0	40	-1.0	-49.53	332.13	2.54	-46.99
CC(C)CN1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=N1	REAL300007610922	0	43	-1.0	-53.92	355.27	5.34	-48.58
CC1=NN(C(C)C)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610923	0	43	-1.0	-51.01	342.83	4.69	-46.32
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007610924	0	44	-1.0	-50.14	348.73	2.97	-47.17
COCC1=CC(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)=NO1	REAL300007610925	0	40	-1.0	-55.64	338.99	3.08	-52.56
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007610926	0	39	-1.0	-49.60	332.46	6.99	-42.61
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007610927	0	45	-1.0	-50.23	360.23	5.65	-44.58
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)C	REAL300007610928	0	40	-1.0	-49.14	330.77	4.46	-44.68
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007610929	0	41	-1.0	-48.91	332.93	5.28	-43.63
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007610930	0	41	-1.0	-49.84	342.84	6.51	-43.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007610931	0	36	-1.0	-50.25	316.02	4.19	-46.06
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007610932	0	39	-1.0	-60.15	322.95	5.62	-54.53
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=NN1C(C)C	REAL300007610933	0	43	-1.0	-55.41	342.06	4.77	-50.64
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007610934	0	48	-1.0	-49.99	396.77	8.79	-41.20
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007610935	0	39	-1.0	-58.59	321.33	5.61	-52.98
CC1=CN=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1	REAL300007610936	0	39	-1.0	-47.83	311.34	4.53	-43.30
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300007610937	0	37	-1.0	-46.43	315.71	4.81	-41.62
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007610938	0	42	-1.0	-60.12	346.63	1.06	-59.06
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CC2CCC(C1)O2	REAL300007610939	0	41	-1.0	-49.49	319.54	3.36	-46.13
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC(C#N)CC1	REAL300007610940	0	40	-1.0	-53.87	326.11	4.73	-49.14
COC1=CC=NC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610941	0	37	-1.0	-53.73	313.43	2.66	-51.07
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C(F)F)=C1	REAL300007610942	0	41	-1.0	-56.69	337.09	5.75	-50.94
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)N=C1	REAL300007610943	0	37	-1.0	-50.74	313.25	2.62	-48.12
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610944	0	40	-1.0	-48.14	346.75	3.49	-44.65
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007610945	0	39	-1.0	-50.34	314.31	5.21	-45.13
CCOC1=CC=CN=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007610946	0	40	-1.0	-57.48	331.00	4.65	-52.83
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300007610947	0	42	-1.0	-58.06	339.27	6.88	-51.18
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007610948	0	38	-1.0	-52.91	316.72	5.03	-47.88
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC(F)(F)C1	REAL300007610949	0	36	-1.0	-48.52	304.79	3.72	-44.80
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007610950	0	36	-1.0	-58.05	318.05	4.29	-53.76
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007610951	0	41	-1.0	-50.82	355.85	6.03	-44.79
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007610952	0	47	-1.0	-52.01	367.97	7.27	-44.74
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)S(=O)(=O)C1=CC=CC=C1	REAL300007610953	0	38	-1.0	-50.21	343.23	7.97	-42.24
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)S(=O)(=O)C1=CC=CC(F)=C1	REAL300007610954	0	38	-1.0	-52.91	348.81	8.12	-44.79
CC(=O)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)=C1	REAL300007610955	0	43	-1.0	-63.38	383.66	8.45	-54.93
CN(C)S(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610956	0	36	-1.0	-46.16	313.72	4.76	-41.40
CCCCN(C)S(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610957	0	45	-1.0	-48.54	374.71	7.22	-41.32
CCCCS(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610958	0	40	-1.0	-47.45	350.37	7.17	-40.28
CCS(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610959	0	34	-1.0	-47.42	308.76	5.65	-41.77
CCCS(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610960	0	37	-1.0	-47.53	328.87	6.39	-41.14
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)S(=O)(=O)C1=CC=CS1	REAL300007610961	0	35	-1.0	-51.62	330.82	6.85	-44.77
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)S1	REAL300007610962	0	38	-1.0	-47.98	356.72	7.87	-40.11
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)S(=O)(=O)C1=CC=C(Cl)S1	REAL300007610963	0	35	-1.0	-44.67	349.06	7.34	-37.33
COC1=CC=C(C)C=C1S(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610964	0	45	-1.0	-51.27	388.55	8.66	-42.61
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)S(=O)(=O)N1CCOCC1	REAL300007610965	0	41	-1.0	-48.40	348.16	4.62	-43.78
CN1C=C(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C=N1	REAL300007610966	0	38	-1.0	-52.99	343.39	5.57	-47.42
CCN(CC)S(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610967	0	42	-1.0	-47.71	354.24	6.66	-41.05
CN(C1CCCCC1)S(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610968	0	49	-1.0	-45.98	396.88	8.45	-37.53
CC1=NN(C)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610969	0	44	-1.0	-53.77	372.67	6.81	-46.96
CCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C=C1	REAL300007610970	0	44	-1.0	-50.52	382.30	9.30	-41.22
CC1=NNC=C1S(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610971	0	38	-1.0	-52.93	332.97	4.69	-48.24
CC1=CC(F)=CC(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)=C1	REAL300007610972	0	41	-1.0	-50.53	366.71	8.57	-41.96
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)S(=O)(=O)CCC1CC1	REAL300007610973	0	41	-1.0	-51.03	360.55	7.97	-43.06
COCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C=C1	REAL300007610974	0	45	-1.0	-52.25	394.08	7.58	-44.67
CS(=O)(=O)CCCS(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610975	0	43	-1.0	-59.32	392.51	3.95	-55.37
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)S(=O)(=O)CC1=NOC=C1	REAL300007610976	0	37	-1.0	-58.62	336.68	5.86	-52.76
CC1=C(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C=NN1C	REAL300007610977	0	41	-1.0	-52.84	364.49	6.12	-46.72
CN(C1CCOCC1)S(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610978	0	47	-1.0	-49.35	386.59	5.70	-43.65
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)S(=O)(=O)N1CC2CCC1C2	REAL300007610979	0	44	-1.0	-51.16	362.45	6.98	-44.18
CC(C)N1C=C(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C=N1	REAL300007610980	0	44	-1.0	-48.30	387.76	7.14	-41.16
CC(C)N1C=NC(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)=C1	REAL300007610981	0	44	-1.0	-49.42	388.43	8.42	-41.00
CC(C)C1=NC(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)=CN1	REAL300007610982	0	44	-1.0	-48.61	386.79	6.48	-42.13
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)S(=O)(=O)CC1CCCOC1	REAL300007610983	0	45	-1.0	-53.18	377.38	6.65	-46.53
CC1=C(F)C=CC=C1S(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610984	0	41	-1.0	-50.92	352.11	8.28	-42.64
COCCC(C)S(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610985	0	44	-1.0	-52.06	369.53	6.25	-45.81
CCC(C)CS(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610986	0	43	-1.0	-47.14	362.83	7.79	-39.35
CCN(CC1CC1)S(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610987	0	46	-1.0	-50.62	386.65	8.26	-42.36
CCCN1C=NC(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)=C1	REAL300007610988	0	44	-1.0	-49.39	390.31	8.79	-40.60
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)S(=O)(=O)CCOCC1CC1	REAL300007610989	0	45	-1.0	-50.30	394.64	7.23	-43.07
COCC(C)CS(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610990	0	44	-1.0	-47.93	377.54	6.24	-41.69
CCOCC(C)CS(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610991	0	47	-1.0	-47.93	399.40	7.22	-40.71
CC(C)C1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610992	0	47	-1.0	-50.35	394.14	10.12	-40.23
CCOC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)=C1	REAL300007610993	0	45	-1.0	-54.59	393.75	8.27	-46.32
CC(C)(C)CCS(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610994	0	46	-1.0	-47.38	384.10	8.10	-39.28
CC1CCN(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C1	REAL300007610995	0	43	-1.0	-47.02	365.17	6.92	-40.10
COCC1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])CC1=CC=C(F)C(F)=C1	REAL300007610996	0	45	-1.0	-49.27	388.16	8.12	-41.15
CCC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)=C1	REAL300007610997	0	44	-1.0	-50.65	385.30	9.48	-41.17
CCC1=CC=C(CS(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C=C1	REAL300007610998	0	47	-1.0	-52.65	410.24	10.08	-42.57
O=C([O-])CCN(CC1=CC=C(F)C(F)=C1)S(=O)(=O)CCC1=CC=CS1	REAL300007610999	0	41	-1.0	-52.29	379.08	8.51	-43.78
CC1=CC=C(CS(=O)(=O)N(CCC(=O)[O-])CC2=CC=C(F)C(F)=C2)C=C1C	REAL300007611000	0	47	-1.0	-53.10	405.77	9.84	-43.26
COC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613651	0	35	-1.0	-46.08	288.63	2.71	-43.37
CC1=C(Br)C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007613652	0	36	-1.0	-43.87	316.04	4.69	-39.18
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613653	0	42	-1.0	-48.89	342.81	3.01	-45.88
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C	REAL300007613654	0	42	-1.0	-48.93	343.05	-0.15	-49.08
CC(C)(CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007613655	0	49	-1.0	-42.40	338.94	5.11	-37.29
CC1=NC2=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=CC=C2C=C1	REAL300007613656	0	39	-1.0	-51.09	314.75	4.16	-46.93
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007613657	0	39	-1.0	-49.84	318.09	4.98	-44.86
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007613658	0	42	-1.0	-45.96	328.18	1.33	-44.63
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613659	0	45	-1.0	-47.45	375.66	4.09	-43.36
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613660	0	45	-1.0	-47.99	369.41	4.16	-43.83
COCCOCCOCCS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613661	0	45	-1.0	-47.72	361.39	0.38	-47.34
CC(COC1CCCC1)CS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613662	0	47	-1.0	-44.58	352.43	4.44	-40.14
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007613663	0	46	-1.0	-47.35	377.05	4.27	-43.08
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613664	0	38	-1.0	-43.30	320.33	3.23	-40.07
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007613665	0	39	-1.0	-45.91	309.03	0.63	-45.28
COC1=CC(Br)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613666	0	35	-1.0	-43.33	302.53	2.84	-40.49
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007613667	0	35	-1.0	-45.15	298.07	3.10	-42.05
COC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007613668	0	37	-1.0	-45.07	307.60	3.68	-41.39
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613669	0	37	-1.0	-42.28	308.27	4.84	-37.44
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613670	0	37	-1.0	-44.47	307.25	4.74	-39.73
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300007613671	0	37	-1.0	-42.12	306.17	4.43	-37.69
CC(C)(CC(=O)[O-])NS(=O)(=O)CCCN1CCOCC1	REAL300007613672	0	43	-1.0	-45.68	325.85	0.03	-45.65
CCOC1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613673	0	38	-1.0	-44.90	304.46	3.23	-41.67
COCCN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N1	REAL300007613674	0	38	-1.0	-46.62	310.80	0.40	-46.22
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007613675	0	38	-1.0	-47.40	316.13	3.46	-43.94
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1C	REAL300007613676	0	58	-1.0	-45.81	439.28	7.41	-38.40
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300007613677	0	45	-1.0	-44.63	370.78	1.27	-43.36
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007613678	0	39	-1.0	-48.86	325.64	5.23	-43.63
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007613679	0	36	-1.0	-45.52	292.88	3.28	-42.24
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007613680	0	34	-1.0	-45.86	297.22	4.39	-41.47
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300007613681	0	34	-1.0	-44.67	292.76	4.30	-40.37
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007613682	0	38	-1.0	-60.17	316.27	0.77	-59.40
CC1=CC(Br)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613683	0	34	-1.0	-43.57	294.81	4.20	-39.37
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613684	0	34	-1.0	-42.52	286.47	4.25	-38.27
COCC1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613685	0	38	-1.0	-43.74	299.10	3.02	-40.72
COC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1Br	REAL300007613686	0	35	-1.0	-42.77	301.68	2.89	-39.88
COC1=CC(OC)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Cl	REAL300007613687	0	39	-1.0	-46.83	327.55	2.62	-44.21
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007613688	0	34	-1.0	-50.67	294.93	1.95	-48.72
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007613689	0	34	-1.0	-49.19	288.96	1.68	-47.51
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007613690	0	42	-1.0	-44.72	329.20	4.16	-40.56
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007613691	0	34	-1.0	-45.81	293.81	2.09	-43.72
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613692	0	42	-1.0	-47.13	309.77	0.32	-46.81
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1I	REAL300007613693	0	34	-1.0	-44.08	297.45	4.55	-39.53
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613694	0	43	-1.0	-51.14	355.77	2.12	-49.02
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613695	0	48	-1.0	-48.90	389.87	2.72	-46.18
CSC1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613696	0	35	-1.0	-46.54	289.07	4.06	-42.48
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613697	0	48	-1.0	-53.05	395.00	1.44	-51.61
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007613698	0	39	-1.0	-46.07	329.26	-0.37	-46.44
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300007613699	0	45	-1.0	-51.06	386.12	0.47	-50.59
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(OC)=C1	REAL300007613700	0	46	-1.0	-52.03	376.71	0.40	-51.63
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(F)=C1	REAL300007613701	0	45	-1.0	-50.55	375.98	1.52	-49.03
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613702	0	45	-1.0	-48.57	371.23	0.72	-47.85
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613703	0	42	-1.0	-53.41	332.75	2.89	-50.52
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300007613704	0	45	-1.0	-46.12	372.84	1.35	-44.77
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007613705	0	46	-1.0	-50.96	354.68	3.86	-47.10
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300007613706	0	42	-1.0	-46.32	351.34	0.55	-45.77
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007613707	0	46	-1.0	-44.89	364.80	3.33	-41.56
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007613708	0	43	-1.0	-47.68	343.37	2.89	-44.79
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613709	0	40	-1.0	-51.27	335.29	1.42	-49.85
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613710	0	41	-1.0	-51.71	342.93	0.17	-51.54
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Br	REAL300007613711	0	38	-1.0	-45.17	322.81	3.78	-41.39
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007613712	0	45	-1.0	-45.35	359.97	5.98	-39.37
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007613713	0	35	-1.0	-44.87	308.39	3.55	-41.32
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007613714	0	37	-1.0	-45.21	332.55	1.05	-44.16
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613715	0	38	-1.0	-46.28	323.43	3.69	-42.59
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2S1	REAL300007613716	0	45	-1.0	-45.32	365.16	4.88	-40.44
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613717	0	38	-1.0	-45.82	321.67	3.90	-41.92
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C21	REAL300007613718	0	43	-1.0	-46.21	342.60	4.45	-41.76
CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613719	0	38	-1.0	-51.51	316.01	-2.20	-53.71
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007613720	0	37	-1.0	-44.97	306.00	4.47	-40.50
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007613721	0	34	-1.0	-43.52	306.34	4.78	-38.74
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007613722	0	37	-1.0	-45.69	316.76	5.65	-40.04
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007613723	0	34	-1.0	-43.64	306.47	4.88	-38.76
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007613724	0	37	-1.0	-46.90	310.55	5.81	-41.09
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007613725	0	37	-1.0	-44.92	313.12	4.72	-40.20
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007613726	0	42	-1.0	-46.39	333.25	4.36	-42.03
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007613727	0	45	-1.0	-45.52	369.12	6.31	-39.21
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613728	0	44	-1.0	-50.09	358.63	4.47	-45.62
CC(C)(CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007613729	0	42	-1.0	-49.91	352.11	0.10	-49.81
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007613730	0	40	-1.0	-45.61	320.26	5.77	-39.84
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1N(C)C	REAL300007613731	0	42	-1.0	-43.46	326.97	3.60	-39.86
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007613732	0	37	-1.0	-44.70	314.80	5.06	-39.64
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007613733	0	36	-1.0	-48.49	291.02	-0.13	-48.62
CC(C)(CC(=O)[O-])NS(=O)(=O)CCOCC1CCCC1	REAL300007613734	0	44	-1.0	-43.49	336.84	3.49	-40.00
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Cl	REAL300007613735	0	38	-1.0	-45.33	314.01	3.59	-41.74
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007613736	0	40	-1.0	-56.05	336.61	1.29	-54.76
CSC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Cl	REAL300007613737	0	35	-1.0	-45.14	306.96	4.39	-40.75
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613738	0	43	-1.0	-46.50	327.54	3.23	-43.27
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007613739	0	39	-1.0	-45.35	322.43	1.44	-43.91
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C12	REAL300007613740	0	38	-1.0	-47.20	312.95	0.52	-46.68
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007613741	0	42	-1.0	-46.76	348.21	2.64	-44.12
CN1N=CC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN=C21	REAL300007613742	0	36	-1.0	-46.96	296.11	1.94	-45.02
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007613743	0	37	-1.0	-43.91	319.54	5.78	-38.13
CCC1=CC(CC)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(CC)=C1	REAL300007613744	0	49	-1.0	-42.88	350.72	7.53	-35.35
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613745	1	46	-1.0	-46.10	366.57	0.01	-46.09
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007613746	0	38	-1.0	-57.13	298.92	3.50	-53.63
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007613747	0	37	-1.0	-43.22	320.28	0.89	-42.33
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007613748	0	40	-1.0	-51.15	318.74	6.70	-44.45
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=C1F	REAL300007613749	0	38	-1.0	-44.45	304.16	3.20	-41.25
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007613750	0	40	-1.0	-45.03	311.38	4.25	-40.78
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007613752	0	39	-1.0	-45.28	320.95	4.07	-41.21
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613753	0	38	-1.0	-43.97	323.90	3.14	-40.83
CC1=CC=C(CS(=O)(=O)NC(C)(C)CC(=O)[O-])C(F)=C1	REAL300007613754	0	37	-1.0	-45.73	302.59	4.46	-41.27
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007613756	0	31	-1.0	-42.94	284.22	3.14	-39.80
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007613757	0	44	-1.0	-46.11	340.91	6.36	-39.75
CC(C)(C)C1=CC(CS(=O)(=O)NC(C)(C)CC(=O)[O-])=NO1	REAL300007613758	0	42	-1.0	-46.25	334.03	3.79	-42.46
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007613759	0	40	-1.0	-53.50	313.74	0.20	-53.30
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007613760	0	34	-1.0	-44.74	289.15	3.66	-41.08
CC1=C(CCS(=O)(=O)NC(C)(C)CC(=O)[O-])SC=N1	REAL300007613761	0	36	-1.0	-45.21	300.88	2.25	-42.96
COC1=CC=C2C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])CCC2=C1	REAL300007613762	0	43	-1.0	-44.93	335.49	4.61	-40.32
CC(C)(CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)CC2	REAL300007613763	0	44	-1.0	-43.42	309.46	5.03	-38.39
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007613764	0	42	-1.0	-53.40	325.41	0.17	-53.23
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1CCCCC1(F)F	REAL300007613765	0	40	-1.0	-46.32	300.87	4.24	-42.08
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C12	REAL300007613766	0	46	-1.0	-50.01	375.54	6.11	-43.90
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C12	REAL300007613767	0	50	-1.0	-46.84	393.25	3.59	-43.25
CCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007613768	0	39	-1.0	-44.11	314.09	4.73	-39.38
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007613769	0	31	-1.0	-42.06	273.05	3.54	-38.52
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007613770	0	33	-1.0	-43.36	280.32	3.60	-39.76
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007613771	0	37	-1.0	-45.39	297.91	5.19	-40.20
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007613772	0	33	-1.0	-44.84	281.34	3.67	-41.17
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613773	0	36	-1.0	-47.71	296.41	4.40	-43.31
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007613774	0	33	-1.0	-49.56	269.65	4.37	-45.19
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613775	0	38	-1.0	-45.33	325.38	4.20	-41.13
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613776	0	38	-1.0	-43.98	303.44	3.17	-40.81
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1C	REAL300007613777	0	43	-1.0	-44.06	312.06	5.69	-38.37
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613778	0	46	-1.0	-44.32	344.45	6.06	-38.26
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007613779	0	34	-1.0	-43.05	291.85	4.00	-39.05
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007613780	0	34	-1.0	-45.18	276.76	4.46	-40.72
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007613781	0	37	-1.0	-46.23	307.26	3.66	-42.57
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613782	0	43	-1.0	-43.65	328.30	5.23	-38.42
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613783	0	48	-1.0	-48.59	388.86	2.62	-45.97
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613784	0	42	-1.0	-48.95	348.42	0.89	-48.06
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Br	REAL300007613785	0	35	-1.0	-45.47	301.66	2.89	-42.58
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007613786	0	37	-1.0	-41.40	329.90	4.93	-36.47
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1Br	REAL300007613787	0	34	-1.0	-42.32	291.60	4.11	-38.21
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2)=C1	REAL300007613788	0	45	-1.0	-45.10	363.01	6.46	-38.64
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007613789	0	35	-1.0	-42.58	297.76	2.71	-39.87
CC1=C(C)C(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=C1C	REAL300007613790	0	46	-1.0	-44.64	325.31	6.14	-38.50
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007613791	0	40	-1.0	-44.28	314.88	2.90	-41.38
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613792	0	47	-1.0	-46.59	358.44	5.00	-41.59
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C21	REAL300007613793	0	38	-1.0	-45.60	327.28	5.30	-40.30
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007613794	0	36	-1.0	-44.79	296.59	4.14	-40.65
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613795	0	35	-1.0	-45.47	303.53	3.26	-42.21
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613796	0	49	-1.0	-43.81	355.99	6.91	-36.90
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007613797	0	34	-1.0	-42.20	290.48	3.92	-38.28
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007613798	0	41	-1.0	-44.27	315.84	5.50	-38.77
COC1=CC=C(OC)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613799	0	39	-1.0	-48.26	311.71	1.93	-46.33
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1OC	REAL300007613800	0	39	-1.0	-45.61	310.81	2.14	-43.47
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007613801	0	39	-1.0	-44.40	305.98	5.30	-39.10
CC(C)CCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613802	0	46	-1.0	-43.53	355.56	6.41	-37.12
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1OCC	REAL300007613803	0	45	-1.0	-45.00	354.20	3.96	-41.04
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007613804	0	36	-1.0	-49.97	306.34	-2.13	-52.10
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007613805	0	39	-1.0	-47.60	316.66	4.75	-42.85
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1C	REAL300007613806	0	39	-1.0	-47.05	313.63	4.98	-42.07
CC1=CC2=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C2N=C1	REAL300007613807	0	39	-1.0	-50.38	315.13	4.27	-46.11
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007613808	0	37	-1.0	-47.50	299.39	3.70	-43.80
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613809	0	35	-1.0	-43.81	298.61	3.29	-40.52
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007613810	0	36	-1.0	-49.87	307.36	-2.04	-51.91
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007613811	0	43	-1.0	-52.56	360.06	0.72	-51.84
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613812	0	39	-1.0	-46.15	323.25	4.75	-41.40
CC(C)(CC(=O)[O-])NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007613813	0	40	-1.0	-44.65	300.04	4.22	-40.43
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CN=C12	REAL300007613814	0	39	-1.0	-46.33	308.60	4.22	-42.11
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C	REAL300007613815	0	39	-1.0	-47.79	311.25	5.66	-42.13
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613816	0	42	-1.0	-48.82	348.69	1.00	-47.82
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007613817	0	43	-1.0	-60.06	338.97	2.35	-57.71
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007613818	0	37	-1.0	-52.13	313.82	0.52	-51.61
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007613819	0	41	-1.0	-45.87	319.07	6.89	-38.98
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007613820	0	37	-1.0	-46.73	293.93	5.35	-41.38
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007613821	0	41	-1.0	-45.23	326.26	6.36	-38.87
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=CC=C12	REAL300007613822	0	45	-1.0	-45.30	346.74	5.14	-40.16
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007613823	0	32	-1.0	-47.54	278.45	1.32	-46.22
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613824	0	35	-1.0	-45.59	298.96	3.16	-42.43
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613825	0	46	-1.0	-43.72	342.52	5.70	-38.02
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Cl	REAL300007613826	0	34	-1.0	-44.23	287.57	4.02	-40.21
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613827	0	41	-1.0	-44.29	321.17	3.73	-40.56
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007613828	0	34	-1.0	-45.90	292.65	4.29	-41.61
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007613829	0	36	-1.0	-44.42	308.66	5.39	-39.03
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007613830	0	36	-1.0	-50.78	293.73	3.62	-47.16
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007613831	0	42	-1.0	-47.07	358.01	6.38	-40.69
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613832	0	37	-1.0	-43.72	310.31	3.38	-40.34
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300007613833	0	35	-1.0	-46.54	287.47	2.29	-44.25
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007613834	0	42	-1.0	-43.79	358.33	6.30	-37.49
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2)C=C1	REAL300007613835	0	46	-1.0	-44.92	369.96	5.06	-39.86
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C(C)C)=C1	REAL300007613836	0	58	-1.0	-44.25	404.37	8.45	-35.80
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CC=C12	REAL300007613837	0	47	-1.0	-46.24	361.88	6.21	-40.03
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007613838	0	34	-1.0	-44.51	307.78	4.71	-39.80
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CC=C12	REAL300007613839	0	41	-1.0	-46.54	322.07	4.65	-41.89
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007613840	0	47	-1.0	-47.42	370.73	0.55	-46.87
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613841	0	36	-1.0	-42.88	297.76	4.51	-38.37
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613842	0	36	-1.0	-44.33	290.66	4.23	-40.10
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613843	0	39	-1.0	-47.15	312.45	5.39	-41.76
CC(C)CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613844	0	43	-1.0	-43.59	333.25	5.61	-37.98
COCCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613845	0	41	-1.0	-44.39	328.67	3.42	-40.97
COCCN(CCOC)S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613846	0	43	-1.0	-43.41	324.29	0.89	-42.52
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613847	0	34	-1.0	-43.76	284.86	4.24	-39.52
COC1=C(C)C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C	REAL300007613848	0	41	-1.0	-44.38	325.49	3.82	-40.56
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613849	0	47	-1.0	-43.36	363.68	5.25	-38.11
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007613850	0	45	-1.0	-43.61	347.23	5.14	-38.47
CC(C)COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613851	0	44	-1.0	-43.48	344.71	4.64	-38.84
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613852	0	41	-1.0	-43.50	324.61	3.94	-39.56
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Cl	REAL300007613853	0	35	-1.0	-45.54	297.27	2.78	-42.76
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007613854	0	35	-1.0	-45.15	306.32	3.02	-42.13
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C	REAL300007613855	0	38	-1.0	-44.15	301.32	2.96	-41.19
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1OC(C)C	REAL300007613856	0	44	-1.0	-43.82	341.86	4.50	-39.32
COC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=C1	REAL300007613857	0	38	-1.0	-44.41	299.01	3.15	-41.26
COCCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613858	0	42	-1.0	-45.67	337.06	2.44	-43.23
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613859	0	34	-1.0	-42.26	290.82	4.46	-37.80
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1C	REAL300007613860	0	39	-1.0	-48.49	299.48	5.69	-42.80
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613861	0	40	-1.0	-50.09	329.85	1.34	-48.75
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007613862	0	43	-1.0	-48.62	361.12	0.77	-47.85
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613863	0	39	-1.0	-49.17	328.70	-0.90	-50.07
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613864	0	39	-1.0	-47.52	312.26	1.35	-46.17
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007613865	0	34	-1.0	-44.36	289.68	4.36	-40.00
COC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1F	REAL300007613866	0	35	-1.0	-43.29	287.49	2.29	-41.00
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007613867	0	41	-1.0	-45.50	327.30	6.42	-39.08
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007613868	0	34	-1.0	-43.98	309.71	4.81	-39.17
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S2)=CS1	REAL300007613869	0	37	-1.0	-45.48	330.27	3.39	-42.09
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007613870	0	51	-1.0	-43.64	386.66	6.56	-37.08
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613871	0	39	-1.0	-50.50	315.07	4.29	-46.21
CNC(=O)C1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN1C	REAL300007613872	0	39	-1.0	-47.73	315.43	0.57	-47.16
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=C1	REAL300007613873	0	41	-1.0	-43.59	308.76	3.76	-39.83
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007613874	0	42	-1.0	-45.63	335.96	7.04	-38.59
COC1=CC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C	REAL300007613875	0	41	-1.0	-44.77	318.03	3.80	-40.97
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300007613876	0	39	-1.0	-45.61	299.25	4.12	-41.49
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007613877	0	36	-1.0	-47.38	289.24	3.57	-43.81
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C2	REAL300007613878	0	44	-1.0	-49.35	351.95	6.78	-42.57
CCN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007613879	0	36	-1.0	-49.17	303.00	3.66	-45.51
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007613880	0	38	-1.0	-44.89	323.01	3.63	-41.26
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007613881	0	45	-1.0	-45.54	363.00	6.21	-39.33
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613882	0	39	-1.0	-49.40	316.18	4.29	-45.11
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007613883	0	41	-1.0	-48.38	336.96	4.44	-43.94
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613884	0	53	-1.0	-43.09	385.47	6.32	-36.77
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007613885	0	39	-1.0	-49.68	327.84	-0.49	-50.17
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007613886	0	46	-1.0	-52.63	373.86	2.08	-50.55
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CC=C12	REAL300007613887	0	44	-1.0	-46.20	343.51	5.57	-40.63
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613888	0	41	-1.0	-46.52	325.50	4.25	-42.27
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007613889	0	36	-1.0	-52.52	301.39	3.18	-49.34
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007613890	0	38	-1.0	-50.09	311.68	3.99	-46.10
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613891	0	45	-1.0	-45.75	358.92	3.41	-42.34
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613892	0	47	-1.0	-43.44	367.61	5.50	-37.94
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007613893	0	41	-1.0	-44.43	308.94	5.65	-38.78
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007613894	0	37	-1.0	-45.49	300.81	4.82	-40.67
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007613895	0	35	-1.0	-42.98	308.15	4.38	-38.60
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007613896	0	39	-1.0	-50.66	315.75	4.29	-46.37
CC(C)(CC(=O)[O-])NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007613897	0	37	-1.0	-51.24	296.14	-0.46	-51.70
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007613898	0	36	-1.0	-48.02	300.16	3.12	-44.90
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=C1	REAL300007613899	0	41	-1.0	-44.17	320.86	4.07	-40.10
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613900	0	39	-1.0	-48.74	327.67	-0.95	-49.69
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007613901	0	35	-1.0	-46.47	291.66	3.03	-43.44
CSC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613902	0	35	-1.0	-43.58	291.96	3.94	-39.64
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007613903	0	37	-1.0	-46.85	314.98	4.80	-42.05
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613904	0	42	-1.0	-44.33	320.54	5.28	-39.05
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007613905	0	37	-1.0	-46.81	295.81	2.56	-44.25
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007613906	0	36	-1.0	-46.09	288.71	3.38	-42.71
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007613907	0	43	-1.0	-48.70	346.72	4.89	-43.81
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(F)(F)F	REAL300007613908	0	37	-1.0	-42.60	306.17	4.44	-38.16
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007613909	0	37	-1.0	-52.38	325.84	4.27	-48.11
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007613910	0	40	-1.0	-47.25	317.91	4.60	-42.65
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C12	REAL300007613911	0	39	-1.0	-46.73	318.07	2.54	-44.19
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613912	0	38	-1.0	-46.71	322.00	3.72	-42.99
COCC1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613913	0	38	-1.0	-45.05	308.19	2.73	-42.32
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007613914	0	42	-1.0	-47.98	331.48	4.24	-43.74
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300007613915	0	34	-1.0	-44.90	289.47	4.19	-40.71
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007613916	0	43	-1.0	-58.67	348.68	1.43	-57.24
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007613917	0	38	-1.0	-43.97	321.86	3.54	-40.43
COC1=CC(OC)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1Br	REAL300007613918	0	39	-1.0	-46.75	331.94	2.73	-44.02
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007613919	0	39	-1.0	-47.19	314.17	3.53	-43.66
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007613920	0	34	-1.0	-46.09	303.11	4.66	-41.43
CC1CC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C2O1	REAL300007613921	0	39	-1.0	-44.42	308.76	3.52	-40.90
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613922	0	43	-1.0	-43.28	310.07	6.21	-37.07
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613923	0	43	-1.0	-51.04	341.79	1.87	-49.17
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007613924	0	42	-1.0	-46.15	357.66	6.26	-39.89
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007613925	0	37	-1.0	-48.93	320.15	4.03	-44.90
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007613926	0	37	-1.0	-51.99	336.15	4.73	-47.26
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2)=CO1	REAL300007613927	0	40	-1.0	-47.63	326.41	1.88	-45.75
CN1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C(F)(F)F)=N1	REAL300007613928	0	34	-1.0	-46.15	291.78	1.77	-44.38
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007613929	0	34	-1.0	-46.18	277.80	1.58	-44.60
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007613930	0	39	-1.0	-44.92	306.81	3.63	-41.29
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N2)C=C1	REAL300007613931	0	41	-1.0	-46.74	332.98	4.68	-42.06
CC1CC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC(Cl)=C2O1	REAL300007613932	0	39	-1.0	-45.14	325.89	4.03	-41.11
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007613933	0	36	-1.0	-42.68	295.69	4.06	-38.62
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N1	REAL300007613934	0	42	-1.0	-53.86	338.85	3.63	-50.23
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007613935	0	33	-1.0	-45.67	284.01	2.31	-43.36
CN(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613936	0	39	-1.0	-45.64	304.60	3.36	-42.28
CC1=CC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2C=C1	REAL300007613937	0	40	-1.0	-45.50	319.64	5.83	-39.67
CN(C)C1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613938	0	39	-1.0	-45.17	305.62	3.42	-41.75
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007613939	0	36	-1.0	-48.25	299.27	3.11	-45.14
CC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007613940	0	37	-1.0	-44.92	314.15	5.08	-39.84
CN1CCCC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C21	REAL300007613941	0	43	-1.0	-44.97	327.12	3.49	-41.48
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007613942	0	33	-1.0	-42.06	286.26	2.15	-39.91
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613943	0	39	-1.0	-49.84	307.24	3.26	-46.58
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613944	0	39	-1.0	-43.39	313.42	5.00	-38.39
CC1=CC=C(C)C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1[N+](=O)[O-]	REAL300007613945	0	39	-1.0	-53.90	306.81	6.11	-47.79
CC1=CC(C)=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007613946	0	39	-1.0	-48.11	312.56	4.92	-43.19
COC1=CC=C(CCS(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613947	0	41	-1.0	-46.29	326.93	3.86	-42.43
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])S1	REAL300007613948	0	40	-1.0	-44.51	324.64	4.60	-39.91
COC1=CC(OC)=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613949	0	39	-1.0	-46.50	311.07	1.53	-44.97
CC1=CC2=C(C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-])OCO2	REAL300007613950	0	37	-1.0	-45.87	294.11	2.37	-43.50
COC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1Cl	REAL300007613951	0	35	-1.0	-42.81	297.29	2.78	-40.03
CN1C=NC2=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C21	REAL300007613952	0	37	-1.0	-52.55	300.16	4.26	-48.29
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007613953	0	39	-1.0	-52.64	305.00	4.89	-47.75
CC1=NC2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2O1	REAL300007613954	0	36	-1.0	-46.97	294.70	0.55	-46.42
CCC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1CC	REAL300007613955	0	43	-1.0	-43.84	328.10	5.45	-38.39
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613956	0	39	-1.0	-42.07	307.54	5.28	-36.79
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613957	0	41	-1.0	-47.30	315.10	4.83	-42.47
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007613958	0	32	-1.0	-42.64	275.03	0.75	-41.89
CN(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N1	REAL300007613959	0	38	-1.0	-46.72	301.42	2.55	-44.17
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007613960	0	37	-1.0	-49.57	301.05	4.39	-45.18
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007613961	0	34	-1.0	-46.15	280.27	1.65	-44.50
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC(C)=C1F	REAL300007613962	0	37	-1.0	-42.51	298.94	4.28	-38.23
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007613963	0	38	-1.0	-47.37	307.76	2.67	-44.70
CC(C)(CC(=O)[O-])NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007613964	0	44	-1.0	-47.13	352.94	4.62	-42.51
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007613965	0	35	-1.0	-50.00	291.72	2.99	-47.01
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007613966	0	33	-1.0	-48.55	285.09	2.40	-46.15
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007613967	0	34	-1.0	-43.88	292.59	4.27	-39.61
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC=C1Cl	REAL300007613968	0	34	-1.0	-42.39	287.57	4.02	-38.37
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007613969	0	37	-1.0	-52.40	300.20	3.91	-48.49
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C2)=N1	REAL300007613970	0	40	-1.0	-46.06	338.30	4.41	-41.65
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007613971	0	39	-1.0	-47.13	304.75	4.10	-43.03
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007613972	0	38	-1.0	-50.88	317.18	0.77	-50.11
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007613973	0	40	-1.0	-47.12	315.42	3.34	-43.78
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007613974	0	34	-1.0	-43.90	295.75	4.26	-39.64
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1	REAL300007613975	0	56	-1.0	-43.26	432.10	7.85	-35.41
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613976	0	41	-1.0	-44.91	346.55	5.11	-39.80
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C1	REAL300007613977	0	44	-1.0	-44.79	343.16	4.61	-40.18
COC(CS(=O)(=O)NC(C)(C)CC(=O)[O-])C1CCCC1	REAL300007613978	0	44	-1.0	-43.80	328.28	3.32	-40.48
COC(CS(=O)(=O)NC(C)(C)CC(=O)[O-])C1CCCCC1	REAL300007613979	0	47	-1.0	-44.06	343.37	4.29	-39.77
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007613980	0	45	-1.0	-47.59	369.23	6.27	-41.32
CCCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(C)C	REAL300007613981	0	50	-1.0	-43.42	383.21	5.97	-37.45
CCC1=NC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CN1CC1CC1	REAL300007613982	0	44	-1.0	-50.14	346.90	5.17	-44.97
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007613983	0	34	-1.0	-43.46	291.36	2.46	-41.00
CC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007613984	0	39	-1.0	-44.59	316.92	5.33	-39.26
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613985	0	38	-1.0	-42.86	294.54	2.93	-39.93
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007613986	0	44	-1.0	-43.96	354.04	5.24	-38.72
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613987	0	34	-1.0	-44.58	295.11	1.50	-43.08
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007613988	0	42	-1.0	-44.25	352.37	7.06	-37.19
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007613989	0	41	-1.0	-47.98	319.36	6.41	-41.57
CC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007613990	0	51	-1.0	-45.46	407.25	7.84	-37.62
CCC1=CC(S(=O)(=O)NC(C)(C)CC(=O)[O-])=C(C)C=C1OC	REAL300007613991	0	44	-1.0	-44.78	339.65	4.54	-40.24
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007613992	0	37	-1.0	-42.15	323.32	4.80	-37.35
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C)(C)CC(=O)[O-])=N1	REAL300007613993	1	33	-1.0	-53.66	281.59	2.17	-51.49
CC1=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300007613994	0	40	-1.0	-46.53	306.12	6.05	-40.48
CC(C)OC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=N1	REAL300007613995	0	40	-1.0	-43.88	320.84	1.36	-42.52
COC1=C(F)C=CC=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007613996	0	35	-1.0	-44.47	286.50	3.01	-41.46
CCOC1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1C(C)C	REAL300007613997	0	47	-1.0	-43.71	361.71	5.17	-38.54
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C)CC(=O)[O-])C=C1F	REAL300007613998	0	43	-1.0	-42.34	329.97	5.18	-37.16
CC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007613999	0	50	-1.0	-44.54	377.71	7.56	-36.98
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C)(C)CC(=O)[O-]	REAL300007614000	0	41	-1.0	-43.79	310.84	3.30	-40.49
COC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615957	0	33	-1.0	-58.43	295.60	3.44	-54.99
CC1=C(Br)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007615958	0	34	-1.0	-48.01	324.52	5.34	-42.67
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615959	0	40	-1.0	-45.39	353.44	3.75	-41.64
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300007615960	0	40	-1.0	-43.33	353.22	0.71	-42.62
O=C([O-])C(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C1CC1	REAL300007615961	0	47	-1.0	-53.88	348.89	5.26	-48.62
CC1=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=CC=C2C=C1	REAL300007615962	0	37	-1.0	-63.46	322.45	4.82	-58.64
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300007615963	0	37	-1.0	-53.68	329.46	5.56	-48.12
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C1CC1	REAL300007615964	0	40	-1.0	-55.98	339.87	2.14	-53.84
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615965	0	43	-1.0	-42.37	365.82	4.91	-37.46
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615966	0	43	-1.0	-60.91	380.09	4.97	-55.94
COCCOCCOCCS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615967	0	43	-1.0	-57.71	368.09	0.86	-56.85
CC(COC1CCCC1)CS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615968	0	45	-1.0	-56.97	360.17	4.93	-52.04
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C1CC1	REAL300007615969	0	44	-1.0	-40.92	366.45	5.14	-35.78
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007615970	0	36	-1.0	-52.99	327.96	3.83	-49.16
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1CC1	REAL300007615971	0	37	-1.0	-52.88	320.68	1.35	-51.53
COC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007615972	0	33	-1.0	-53.21	312.68	3.50	-49.71
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C1CC1	REAL300007615973	0	33	-1.0	-40.04	289.65	4.04	-36.00
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300007615974	0	35	-1.0	-43.29	321.64	4.46	-38.83
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615975	0	35	-1.0	-39.58	316.00	5.55	-34.03
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615976	0	35	-1.0	-40.87	316.18	5.54	-35.33
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1C(F)(F)F	REAL300007615977	0	35	-1.0	-41.64	320.54	5.23	-36.41
O=C([O-])C(NS(=O)(=O)CCCN1CCOCC1)C1CC1	REAL300007615978	0	41	-1.0	-40.65	333.03	0.54	-40.11
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300007615979	0	36	-1.0	-55.41	320.28	1.17	-54.24
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C1CC1	REAL300007615980	0	36	-1.0	-49.35	330.45	4.27	-45.08
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1C	REAL300007615981	0	56	-1.0	-45.86	449.60	8.15	-37.71
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300007615982	0	43	-1.0	-38.94	372.95	1.55	-37.39
O=C([O-])C(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300007615983	0	37	-1.0	-43.80	338.16	5.86	-37.94
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C1CC1	REAL300007615984	0	34	-1.0	-56.60	300.99	3.88	-52.72
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(Br)=C1)C1CC1	REAL300007615985	0	32	-1.0	-59.12	306.80	4.92	-54.20
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1Br)C1CC1	REAL300007615986	0	32	-1.0	-43.97	299.70	4.86	-39.11
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C1CC1	REAL300007615987	0	36	-1.0	-59.26	330.70	1.59	-57.67
CC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007615988	0	32	-1.0	-52.10	304.59	4.87	-47.23
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615989	0	32	-1.0	-52.48	294.69	4.90	-47.58
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Br	REAL300007615990	0	33	-1.0	-43.30	316.04	3.69	-39.61
COC1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300007615991	0	37	-1.0	-42.21	321.82	3.69	-38.52
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C1CC1	REAL300007615992	0	32	-1.0	-59.03	304.48	2.62	-56.41
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C1CC1	REAL300007615993	0	32	-1.0	-53.61	301.66	2.45	-51.16
CC1(C)CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C2O1	REAL300007615994	0	40	-1.0	-47.09	343.53	4.98	-42.11
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C1CC1	REAL300007615995	0	32	-1.0	-45.35	296.51	2.59	-42.76
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007615996	0	40	-1.0	-42.27	316.13	1.72	-40.55
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1I	REAL300007615997	0	32	-1.0	-42.89	311.47	5.37	-37.52
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007615998	0	41	-1.0	-51.30	365.49	2.83	-48.47
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007615999	0	46	-1.0	-50.49	402.91	3.45	-47.04
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007616000	0	33	-1.0	-58.85	296.97	4.68	-54.17
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629541	0	38	-1.0	-40.63	303.89	4.30	-36.33
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629542	0	45	-1.0	-46.04	363.19	4.76	-41.28
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C	REAL300007629543	0	45	-1.0	-44.64	378.66	1.24	-43.40
CC(C)(C)[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007629544	0	52	-1.0	-41.16	372.86	5.87	-35.29
CC1=NC2=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=CC=C2C=C1	REAL300007629545	0	42	-1.0	-50.19	330.15	5.62	-44.57
CC(C)(C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007629546	0	42	-1.0	-53.37	350.70	6.00	-47.37
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007629547	0	45	-1.0	-46.94	364.47	2.69	-44.25
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629548	0	48	-1.0	-41.61	386.93	5.34	-36.27
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629549	0	48	-1.0	-43.69	389.45	5.39	-38.30
CCCN1C=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629550	0	40	-1.0	-53.34	329.12	5.42	-47.92
COCCOCCOCCS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629551	0	48	-1.0	-46.67	390.25	1.36	-45.31
CC(COC1CCCC1)CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629552	0	50	-1.0	-39.05	382.59	5.40	-33.65
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629553	0	41	-1.0	-43.68	355.87	4.45	-39.23
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007629554	0	42	-1.0	-46.06	345.35	1.90	-44.16
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629555	0	38	-1.0	-44.28	338.11	4.06	-40.22
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007629556	0	38	-1.0	-39.18	311.83	4.19	-34.99
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1[N+](=O)[O-]	REAL300007629557	0	40	-1.0	-41.39	339.87	4.87	-36.52
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629558	0	40	-1.0	-38.12	335.13	5.93	-32.19
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629559	0	40	-1.0	-39.12	334.20	5.89	-33.23
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1C(F)(F)F	REAL300007629560	0	40	-1.0	-39.63	338.79	5.63	-34.00
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629561	0	43	-1.0	-42.44	334.31	6.07	-36.37
CC(C)(C)[C@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007629562	0	46	-1.0	-41.99	359.57	1.08	-40.91
CCOC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629563	0	41	-1.0	-44.24	335.63	4.32	-39.92
COCCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N1	REAL300007629564	0	41	-1.0	-42.98	344.04	1.71	-41.27
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007629565	0	41	-1.0	-47.01	348.64	4.64	-42.37
CC(C)(C)[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007629566	0	42	-1.0	-43.43	359.36	6.27	-37.16
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007629567	0	39	-1.0	-48.20	328.51	4.51	-43.69
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007629568	0	37	-1.0	-42.03	329.37	5.44	-36.59
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007629569	0	37	-1.0	-45.28	326.45	5.37	-39.91
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007629570	0	41	-1.0	-56.15	351.15	2.05	-54.10
CC1=CC(Br)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629571	0	37	-1.0	-42.45	330.02	5.42	-37.03
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629572	0	37	-1.0	-40.01	313.65	5.38	-34.63
COCC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629573	0	41	-1.0	-44.21	330.80	4.21	-40.00
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1Br	REAL300007629574	0	38	-1.0	-41.24	334.26	4.10	-37.14
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Cl	REAL300007629575	0	42	-1.0	-41.55	342.77	4.09	-37.46
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007629576	0	37	-1.0	-46.35	328.23	3.16	-43.19
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007629577	0	37	-1.0	-43.06	323.34	2.96	-40.10
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007629578	0	45	-1.0	-45.06	361.71	5.35	-39.71
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007629579	0	37	-1.0	-46.46	326.69	3.24	-43.22
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629580	0	45	-1.0	-45.03	350.58	1.95	-43.08
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629581	0	46	-1.0	-50.99	387.94	3.31	-47.68
CSC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629582	0	38	-1.0	-45.94	322.48	5.23	-40.71
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007629583	0	42	-1.0	-46.49	363.30	0.90	-45.59
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629584	0	48	-1.0	-44.60	406.47	1.93	-42.67
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629585	0	45	-1.0	-50.97	362.50	4.53	-46.44
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1F	REAL300007629586	0	45	-1.0	-45.58	384.76	1.79	-43.79
CCC1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629587	0	43	-1.0	-43.21	350.97	6.27	-36.94
CC(C)(C)[C@H](NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007629588	0	37	-1.0	-43.14	321.37	4.69	-38.45
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007629589	0	49	-1.0	-44.85	401.05	4.60	-40.25
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007629590	0	46	-1.0	-49.32	374.30	4.51	-44.81
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629591	0	43	-1.0	-53.72	369.47	2.56	-51.16
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629592	0	44	-1.0	-46.72	359.20	1.45	-45.27
CC1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C	REAL300007629593	0	43	-1.0	-45.14	348.05	6.03	-39.11
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Br	REAL300007629594	0	41	-1.0	-43.06	356.11	5.02	-38.04
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C1=CC=CC=C1	REAL300007629595	0	48	-1.0	-47.13	392.45	7.16	-39.97
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007629596	0	38	-1.0	-39.61	321.29	4.91	-34.70
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629597	0	41	-1.0	-44.66	351.72	4.63	-40.03
CC(C)(C)[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300007629598	0	43	-1.0	-41.84	331.99	2.40	-39.44
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2S1	REAL300007629599	0	48	-1.0	-47.39	400.31	6.09	-41.30
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629600	0	41	-1.0	-41.39	336.86	5.42	-35.97
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C21	REAL300007629601	0	46	-1.0	-46.29	377.26	5.72	-40.57
CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629602	0	41	-1.0	-47.68	349.74	-1.15	-48.83
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)OC2=CC=C(F)C=C12	REAL300007629603	0	40	-1.0	-45.41	333.26	5.79	-39.62
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007629604	0	37	-1.0	-42.16	339.91	6.07	-36.09
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC(Cl)=CC=C2S1	REAL300007629605	0	40	-1.0	-43.44	348.25	6.91	-36.53
CC(C)(C)[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007629606	0	37	-1.0	-43.82	340.65	6.03	-37.79
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007629607	0	40	-1.0	-47.28	344.60	7.00	-40.28
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007629608	0	40	-1.0	-45.27	345.26	5.88	-39.39
CC(C)(C)[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007629609	0	45	-1.0	-45.00	367.03	5.45	-39.55
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007629610	0	48	-1.0	-40.92	379.05	7.54	-33.38
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629611	0	47	-1.0	-49.13	393.86	5.67	-43.46
CC(C)(C)[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007629612	0	45	-1.0	-44.77	381.78	1.10	-43.67
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC=CC(C)=C2S1	REAL300007629613	0	43	-1.0	-46.57	351.71	7.02	-39.55
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1N(C)C	REAL300007629614	0	45	-1.0	-43.02	358.96	4.78	-38.24
CC(C)(C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007629615	0	40	-1.0	-43.02	343.23	5.99	-37.03
CC(C)(C)[C@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007629616	0	39	-1.0	-45.13	308.95	0.91	-44.22
CC(C)(C)[C@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007629617	0	47	-1.0	-42.45	366.52	4.51	-37.94
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Cl	REAL300007629618	0	41	-1.0	-42.72	344.73	4.70	-38.02
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007629619	0	43	-1.0	-51.17	368.77	2.35	-48.82
CSC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Cl	REAL300007629620	0	38	-1.0	-43.02	339.56	5.60	-37.42
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629621	0	46	-1.0	-47.33	363.49	4.65	-42.68
CC(C)(C)[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007629622	0	42	-1.0	-45.25	358.46	2.72	-42.53
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C12	REAL300007629623	0	41	-1.0	-44.36	348.55	1.85	-42.51
CC(C)(C)[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007629624	0	45	-1.0	-47.90	383.89	3.97	-43.93
CN1N=CC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CN=C21	REAL300007629625	0	39	-1.0	-44.36	328.64	3.23	-41.13
CCC1=CC(CC)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(CC)=C1	REAL300007629626	0	52	-1.0	-41.97	381.73	8.57	-33.40
CC(C)(C)[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007629627	0	41	-1.0	-55.37	333.09	4.18	-51.19
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007629628	0	40	-1.0	-40.20	352.90	2.19	-38.01
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007629629	0	43	-1.0	-45.22	351.27	7.91	-37.31
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)=C1F	REAL300007629630	0	41	-1.0	-43.31	329.49	4.22	-39.09
CC(C)(C)[C@H](NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007629631	0	46	-1.0	-42.15	335.72	5.61	-36.54
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007629632	0	43	-1.0	-46.12	341.30	5.46	-40.66
CC(C)(C)[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007629634	0	42	-1.0	-48.05	356.76	5.43	-42.62
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629635	0	41	-1.0	-40.65	356.07	4.33	-36.32
CC1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(F)=C1	REAL300007629636	0	40	-1.0	-45.87	332.26	5.47	-40.40
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007629638	0	34	-1.0	-38.83	316.85	4.30	-34.53
CC(C)(C)[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007629639	0	47	-1.0	-42.03	370.52	7.34	-34.69
CC(C)(C)C1=CC(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=NO1	REAL300007629640	0	45	-1.0	-43.66	363.66	4.77	-38.89
CC(C)(C)[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007629641	0	43	-1.0	-48.98	347.02	1.28	-47.70
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007629642	0	37	-1.0	-44.81	320.46	4.57	-40.24
CC1=C(CCS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)SC=N1	REAL300007629643	0	39	-1.0	-42.00	330.56	3.26	-38.74
CC(C)(C)[C@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007629644	0	44	-1.0	-41.08	330.32	5.44	-35.64
COC1=CC=C2C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)CCC2=C1	REAL300007629645	0	46	-1.0	-44.08	364.43	5.71	-38.37
CC(C)(C)[C@H](NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007629646	0	47	-1.0	-41.10	339.20	6.06	-35.04
CC(C)(C)[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007629647	0	45	-1.0	-59.22	359.13	1.21	-58.01
CC(C)(C)[C@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007629648	0	43	-1.0	-46.70	339.67	5.27	-41.43
CC(C)(C)[C@H](NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300007629649	0	41	-1.0	-44.31	337.30	6.25	-38.06
CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1[N+](=O)[O-]	REAL300007629650	0	42	-1.0	-42.21	346.75	5.96	-36.25
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007629651	0	34	-1.0	-39.41	301.01	4.61	-34.80
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007629652	0	34	-1.0	-39.38	305.58	4.72	-34.66
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007629653	0	36	-1.0	-40.40	315.54	4.81	-35.59
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007629654	0	40	-1.0	-48.00	333.26	6.42	-41.58
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007629655	0	36	-1.0	-46.60	315.54	4.81	-41.79
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629656	0	39	-1.0	-40.17	323.71	5.56	-34.61
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629657	0	38	-1.0	-42.67	313.61	3.39	-39.28
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007629658	0	36	-1.0	-50.16	304.75	5.63	-44.53
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629659	0	41	-1.0	-40.23	336.33	5.59	-34.64
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629660	0	41	-1.0	-44.99	338.66	4.36	-40.63
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1C	REAL300007629661	0	46	-1.0	-45.43	348.06	6.82	-38.61
CC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)=C1	REAL300007629662	0	43	-1.0	-42.34	331.84	6.31	-36.03
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629663	0	49	-1.0	-44.19	375.54	7.15	-37.04
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007629664	0	37	-1.0	-43.82	326.06	5.14	-38.68
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007629665	0	37	-1.0	-45.82	308.75	5.58	-40.24
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007629666	0	34	-1.0	-40.10	301.01	4.61	-35.49
CC(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629667	0	39	-1.0	-47.70	328.56	4.57	-43.13
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1[N+](=O)[O-]	REAL300007629668	0	40	-1.0	-43.38	339.86	4.87	-38.51
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629669	0	46	-1.0	-45.13	363.46	6.46	-38.67
CC(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629670	0	43	-1.0	-42.86	344.51	6.02	-36.84
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629671	0	45	-1.0	-44.53	382.93	2.14	-42.39
CCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629672	0	43	-1.0	-43.04	348.67	6.32	-36.72
COC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629673	0	38	-1.0	-44.03	297.38	4.22	-39.81
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Br	REAL300007629674	0	38	-1.0	-43.14	334.26	4.10	-39.04
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1Br	REAL300007629675	0	37	-1.0	-40.17	323.77	5.28	-34.89
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)=C1	REAL300007629676	0	48	-1.0	-45.84	397.43	7.67	-38.17
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007629677	0	38	-1.0	-41.42	333.24	3.93	-37.49
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)=C1C	REAL300007629678	0	49	-1.0	-47.11	361.60	7.26	-39.85
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007629679	0	43	-1.0	-47.90	347.09	4.03	-43.87
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629680	0	50	-1.0	-44.30	373.53	6.54	-37.76
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1[N+](=O)[O-]	REAL300007629681	0	39	-1.0	-47.89	331.52	5.33	-42.56
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629682	0	38	-1.0	-40.48	318.78	4.86	-35.62
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629683	0	52	-1.0	-44.14	389.45	8.07	-36.07
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007629684	0	37	-1.0	-40.75	326.06	5.14	-35.61
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007629685	0	44	-1.0	-44.36	347.02	6.59	-37.77
COC1=CC=C(OC)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629686	0	42	-1.0	-44.24	327.94	3.22	-41.02
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1OC	REAL300007629687	0	42	-1.0	-45.62	343.08	3.33	-42.29
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300007629688	0	41	-1.0	-47.03	332.87	6.05	-40.98
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007629689	0	42	-1.0	-43.76	334.95	6.41	-37.35
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007629690	0	39	-1.0	-45.17	323.23	3.99	-41.18
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629691	0	49	-1.0	-45.24	390.77	7.65	-37.59
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1OCC	REAL300007629692	0	48	-1.0	-46.07	386.79	5.17	-40.90
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007629693	0	39	-1.0	-48.07	338.45	-0.94	-49.01
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC([N+](=O)[O-])=C1C	REAL300007629694	0	42	-1.0	-46.53	347.89	5.91	-40.62
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1C	REAL300007629695	0	42	-1.0	-40.61	341.27	6.10	-34.51
CC1=CC2=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C2N=C1	REAL300007629696	0	42	-1.0	-50.47	331.77	5.79	-44.68
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C([N+](=O)[O-])=C1	REAL300007629697	0	40	-1.0	-47.50	327.51	4.82	-42.68
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629698	0	38	-1.0	-40.45	315.06	4.44	-36.01
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007629699	0	39	-1.0	-50.34	341.49	-0.90	-51.24
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007629700	0	46	-1.0	-48.27	393.28	1.94	-46.33
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629701	0	42	-1.0	-43.94	350.98	5.52	-38.42
CC(C)(C)[C@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007629702	0	43	-1.0	-44.12	344.04	5.49	-38.63
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC=CN=C12	REAL300007629703	0	42	-1.0	-48.02	343.31	5.43	-42.59
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C	REAL300007629704	0	42	-1.0	-50.61	343.17	6.83	-43.78
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629705	0	45	-1.0	-50.48	383.63	2.10	-48.38
CC(C)(C)[C@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007629706	0	46	-1.0	-56.41	373.24	3.49	-52.92
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007629707	0	40	-1.0	-54.46	348.01	1.66	-52.80
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007629708	0	44	-1.0	-45.76	348.74	7.90	-37.86
CC1CC(C)CN(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1	REAL300007629709	0	45	-1.0	-42.43	342.62	4.72	-37.71
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007629710	0	40	-1.0	-45.68	322.03	6.31	-39.37
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007629711	0	44	-1.0	-44.82	358.47	7.51	-37.31
CC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629712	0	37	-1.0	-39.71	301.86	4.95	-34.76
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=CC=C12	REAL300007629713	0	48	-1.0	-45.03	375.50	6.17	-38.86
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007629714	0	35	-1.0	-47.10	296.91	2.54	-44.56
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629715	0	38	-1.0	-40.47	314.21	4.75	-35.72
COC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629716	0	38	-1.0	-44.07	313.79	3.39	-40.68
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629717	0	49	-1.0	-43.25	374.55	6.88	-36.37
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Cl	REAL300007629718	0	37	-1.0	-40.99	319.81	5.24	-35.75
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629719	0	44	-1.0	-44.52	356.59	4.99	-39.53
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007629720	0	37	-1.0	-43.14	326.37	5.33	-37.81
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007629721	0	35	-1.0	-51.19	290.98	3.22	-47.97
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007629722	0	39	-1.0	-44.57	343.80	6.64	-37.93
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007629723	0	39	-1.0	-49.82	310.30	5.15	-44.67
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007629724	0	45	-1.0	-48.82	392.81	7.53	-41.29
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629725	0	40	-1.0	-39.37	326.56	4.59	-34.78
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1F	REAL300007629726	0	38	-1.0	-44.28	320.06	3.50	-40.78
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1F	REAL300007629727	0	37	-1.0	-41.36	311.07	4.83	-36.53
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007629728	0	45	-1.0	-42.01	389.69	7.46	-34.55
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)C=C1	REAL300007629729	0	49	-1.0	-45.35	405.42	6.28	-39.07
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C(C)C)=C1	REAL300007629730	0	61	-1.0	-43.46	445.46	10.12	-33.34
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC=CC=C12	REAL300007629731	0	50	-1.0	-46.67	391.01	7.28	-39.39
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007629732	0	37	-1.0	-38.67	337.45	5.73	-32.94
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC=CC=C12	REAL300007629733	0	44	-1.0	-47.83	356.68	5.86	-41.97
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629734	0	39	-1.0	-39.13	327.84	5.67	-33.46
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629735	0	39	-1.0	-43.82	323.65	5.53	-38.29
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629736	0	42	-1.0	-41.15	344.49	6.53	-34.62
CC(C)CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629737	0	46	-1.0	-44.37	368.52	6.83	-37.54
COCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629738	0	44	-1.0	-43.98	363.88	4.65	-39.33
COCCN(CCOC)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629739	0	46	-1.0	-42.17	356.11	1.51	-40.66
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629740	0	37	-1.0	-39.34	312.20	5.40	-33.94
COC1=C(C)C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C	REAL300007629741	0	44	-1.0	-46.55	360.89	5.03	-41.52
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629742	0	50	-1.0	-44.50	399.22	6.47	-38.03
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007629743	0	48	-1.0	-45.61	381.30	6.34	-39.27
CC(C)COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629744	0	47	-1.0	-42.78	377.22	5.82	-36.96
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629745	0	44	-1.0	-44.72	360.16	5.17	-39.55
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Cl	REAL300007629746	0	38	-1.0	-43.18	329.87	3.98	-39.20
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007629747	0	38	-1.0	-43.51	339.62	4.26	-39.25
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C	REAL300007629748	0	41	-1.0	-45.18	336.89	4.18	-41.00
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1OC(C)C	REAL300007629749	0	47	-1.0	-45.26	376.68	5.73	-39.53
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)=C1	REAL300007629750	0	41	-1.0	-43.64	329.07	4.31	-39.33
COCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629751	0	45	-1.0	-46.38	369.24	3.59	-42.79
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300007629752	0	37	-1.0	-45.38	310.84	4.79	-40.59
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629753	0	37	-1.0	-38.59	317.36	5.53	-33.06
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1C	REAL300007629754	0	42	-1.0	-48.31	332.07	6.89	-41.42
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629755	0	43	-1.0	-45.44	360.21	2.54	-42.90
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007629756	0	46	-1.0	-47.28	393.14	1.94	-45.34
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629757	0	42	-1.0	-44.67	363.94	0.31	-44.36
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629758	0	42	-1.0	-48.75	341.56	2.90	-45.85
CC1=NC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300007629759	0	36	-1.0	-44.13	311.58	2.74	-41.39
CC(C)(C)[C@H](NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007629760	0	37	-1.0	-45.23	323.87	5.52	-39.71
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1F	REAL300007629761	0	38	-1.0	-41.71	320.07	3.49	-38.22
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007629762	0	44	-1.0	-46.22	360.73	7.59	-38.63
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007629763	0	37	-1.0	-39.74	343.11	5.83	-33.91
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)S2)=CS1	REAL300007629764	0	40	-1.0	-47.07	366.77	4.70	-42.37
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007629765	0	54	-1.0	-44.34	421.83	7.76	-36.58
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629766	0	42	-1.0	-49.94	331.71	5.80	-44.14
CNC(=O)C1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CN1C	REAL300007629767	0	42	-1.0	-46.02	348.47	1.74	-44.28
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)=C1	REAL300007629768	0	44	-1.0	-44.83	343.67	5.03	-39.80
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007629769	0	45	-1.0	-46.56	368.51	8.21	-38.35
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C	REAL300007629770	0	44	-1.0	-44.10	349.20	5.04	-39.06
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC=CN=C2C=C1	REAL300007629771	0	42	-1.0	-48.15	332.78	5.32	-42.83
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007629772	0	39	-1.0	-48.00	323.32	4.71	-43.29
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C2	REAL300007629773	0	47	-1.0	-53.21	387.17	7.99	-45.22
CCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C([N+](=O)[O-])=N1	REAL300007629774	0	39	-1.0	-50.93	333.15	4.70	-46.23
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007629775	0	41	-1.0	-44.55	358.24	4.83	-39.72
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007629776	0	48	-1.0	-44.38	395.53	7.38	-37.00
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629777	0	42	-1.0	-49.52	350.40	5.41	-44.11
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007629778	0	44	-1.0	-48.62	373.29	5.72	-42.90
CC(C)(C)[C@H](NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300007629779	0	37	-1.0	-60.55	314.51	3.37	-57.18
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629780	0	56	-1.0	-42.59	420.16	6.99	-35.60
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007629781	0	42	-1.0	-43.09	357.83	0.81	-42.28
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300007629782	0	37	-1.0	-42.58	314.48	4.90	-37.68
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC=CC=C12	REAL300007629783	0	47	-1.0	-46.21	372.27	6.61	-39.60
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629784	0	44	-1.0	-43.94	338.33	5.39	-38.55
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007629785	0	39	-1.0	-54.31	335.64	4.31	-50.00
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007629786	0	41	-1.0	-50.25	347.88	5.27	-44.98
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629787	0	48	-1.0	-48.62	394.14	4.60	-44.02
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629788	0	50	-1.0	-44.61	403.16	6.73	-37.88
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007629789	0	44	-1.0	-42.67	334.44	6.59	-36.08
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007629790	0	40	-1.0	-48.39	334.27	5.93	-42.46
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007629791	0	38	-1.0	-39.99	340.51	5.56	-34.43
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300007629792	0	39	-1.0	-43.80	323.30	3.44	-40.36
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007629793	0	42	-1.0	-53.19	345.42	5.29	-47.90
CC(C)(C)[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300007629794	0	40	-1.0	-42.85	324.23	0.40	-42.45
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007629795	0	39	-1.0	-44.30	335.58	4.32	-39.98
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)=C1	REAL300007629796	0	44	-1.0	-42.29	347.42	5.14	-37.15
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629797	0	42	-1.0	-50.55	360.89	0.27	-50.28
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007629798	0	38	-1.0	-43.42	304.48	4.38	-39.04
CSC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629799	0	38	-1.0	-44.12	327.45	5.16	-38.96
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007629800	0	40	-1.0	-43.42	348.37	5.82	-37.60
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629801	0	45	-1.0	-42.34	353.48	5.83	-36.51
CCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)N=C1C	REAL300007629802	0	40	-1.0	-53.34	323.21	4.67	-48.67
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007629803	0	40	-1.0	-47.73	329.41	3.79	-43.94
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007629804	0	39	-1.0	-47.18	323.12	4.61	-42.57
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007629805	0	46	-1.0	-45.52	374.20	5.98	-39.54
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C(F)(F)F	REAL300007629806	0	40	-1.0	-42.27	341.74	5.66	-36.61
CC(C)(C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007629807	0	40	-1.0	-43.75	341.54	5.43	-38.32
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007629808	0	43	-1.0	-45.52	349.12	5.70	-39.82
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C12	REAL300007629809	0	42	-1.0	-48.36	353.63	3.87	-44.49
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629810	0	41	-1.0	-44.86	350.43	4.64	-40.22
COCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629811	0	41	-1.0	-48.92	342.39	3.86	-45.06
CC(C)(C)[C@H](NS(=O)(=O)C1=C2OC(C)(C)CC2=CC=C1)C(=O)[O-]	REAL300007629812	0	45	-1.0	-50.03	364.43	5.39	-44.64
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007629813	0	37	-1.0	-45.51	323.20	5.26	-40.25
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007629814	0	46	-1.0	-58.66	380.72	2.60	-56.06
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007629815	0	41	-1.0	-40.57	355.64	4.62	-35.95
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007629816	0	42	-1.0	-49.48	347.45	4.81	-44.67
CC(C)(C)[C@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007629817	0	37	-1.0	-46.05	335.11	5.73	-40.32
CC1CC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C2O1	REAL300007629818	0	42	-1.0	-45.91	344.26	4.75	-41.16
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629819	0	46	-1.0	-42.66	344.62	7.29	-35.37
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629820	0	46	-1.0	-43.46	374.19	3.03	-40.43
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007629821	0	45	-1.0	-43.39	389.69	7.45	-35.94
CC(C)(C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007629822	0	40	-1.0	-46.85	335.14	5.37	-41.48
CC(C)(C)[C@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007629823	0	40	-1.0	-43.44	351.85	5.89	-37.55
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)=CO1	REAL300007629824	0	43	-1.0	-47.21	360.66	3.17	-44.04
CN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C(F)(F)F)=N1	REAL300007629825	0	37	-1.0	-47.04	321.87	3.00	-44.04
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007629826	0	37	-1.0	-49.43	314.04	4.50	-44.93
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007629827	0	37	-1.0	-43.56	310.33	2.75	-40.81
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N1	REAL300007629828	0	37	-1.0	-43.36	314.50	0.83	-42.53
CC(C)(C)[C@H](NS(=O)(=O)C1=CN=C2CCCN21)C(=O)[O-]	REAL300007629829	0	38	-1.0	-57.91	309.30	3.36	-54.55
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007629830	0	42	-1.0	-46.53	341.02	4.77	-41.76
CC(C)(C)[C@H](NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007629831	0	41	-1.0	-43.70	329.46	5.92	-37.78
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N2)C=C1	REAL300007629832	0	44	-1.0	-48.59	369.28	5.94	-42.65
CC1CC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC(Cl)=C2O1	REAL300007629833	0	42	-1.0	-44.86	361.10	5.27	-39.59
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1[N+](=O)[O-]	REAL300007629834	0	39	-1.0	-40.84	331.53	5.33	-35.51
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N1	REAL300007629835	0	45	-1.0	-54.66	375.05	4.92	-49.74
CC(C)(C)[C@H](NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007629836	0	36	-1.0	-46.89	319.32	3.63	-43.26
CN(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629837	0	42	-1.0	-46.69	338.34	4.53	-42.16
CC1=CC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2C=C1	REAL300007629838	0	43	-1.0	-47.98	354.60	7.07	-40.91
COC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)SC=C1	REAL300007629839	0	35	-1.0	-43.67	296.71	2.06	-41.61
CN(C)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629840	0	42	-1.0	-44.91	336.80	4.51	-40.40
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300007629841	0	39	-1.0	-48.84	322.89	4.00	-44.84
CC(C)(C)[C@H](NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007629842	0	39	-1.0	-46.66	332.99	4.16	-42.50
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300007629843	0	39	-1.0	-47.46	323.12	3.99	-43.47
CC(C)(C)[C@H](NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007629844	0	40	-1.0	-40.93	346.31	6.14	-34.79
CN1CCCC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C21	REAL300007629845	0	46	-1.0	-46.67	358.49	4.65	-42.02
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007629846	0	36	-1.0	-39.19	319.00	3.34	-35.85
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629847	0	42	-1.0	-51.63	340.52	4.68	-46.95
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629848	0	42	-1.0	-41.88	339.83	6.07	-35.81
CC1=CC=C(C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1[N+](=O)[O-]	REAL300007629849	0	42	-1.0	-50.57	337.26	7.01	-43.56
CC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1[N+](=O)[O-]	REAL300007629850	0	42	-1.0	-42.63	348.48	6.36	-36.27
COC1=CC=C(CCS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629851	0	44	-1.0	-43.22	359.08	4.92	-38.30
COC1=CN=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629852	0	37	-1.0	-45.99	311.89	1.62	-44.37
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300007629853	0	43	-1.0	-45.31	360.31	5.79	-39.52
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300007629854	0	41	-1.0	-44.04	335.79	6.28	-37.76
COC1=CC(OC)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629855	0	42	-1.0	-47.78	345.52	2.78	-45.00
CC(C)(C)[C@H](NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300007629856	0	46	-1.0	-40.48	347.82	5.73	-34.75
CC1=CC=C(CCS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629857	0	43	-1.0	-43.73	352.55	6.28	-37.45
CC1=CC2=C(C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)OCO2	REAL300007629858	0	40	-1.0	-41.11	319.97	3.38	-37.73
CC(C)(C)[C@H](NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300007629859	0	37	-1.0	-47.47	301.10	4.72	-42.75
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1Cl	REAL300007629860	0	38	-1.0	-41.24	329.88	3.98	-37.26
CN1C=NC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C21	REAL300007629861	0	40	-1.0	-52.70	335.58	5.49	-47.21
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=NC=CC=C2C=C1	REAL300007629862	0	42	-1.0	-53.84	340.12	5.97	-47.87
CC1=NC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2O1	REAL300007629863	0	39	-1.0	-48.82	330.96	1.81	-47.01
CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1CC	REAL300007629864	0	46	-1.0	-44.26	361.40	6.68	-37.58
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629865	0	42	-1.0	-40.66	341.80	6.36	-34.30
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629866	0	44	-1.0	-48.61	350.07	5.91	-42.70
CC1=C(C)SC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629867	0	37	-1.0	-43.43	317.23	4.50	-38.93
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007629868	0	35	-1.0	-40.56	309.48	2.02	-38.54
CCC1=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300007629869	0	36	-1.0	-41.74	314.30	2.71	-39.03
CN(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N1	REAL300007629870	0	41	-1.0	-46.26	334.34	3.93	-42.33
CC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300007629871	0	37	-1.0	-43.55	306.18	4.31	-39.24
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007629872	0	40	-1.0	-48.90	331.61	5.98	-42.92
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007629873	0	37	-1.0	-48.35	313.13	2.80	-45.55
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC(C)=C1F	REAL300007629874	0	40	-1.0	-42.68	334.34	5.48	-37.20
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007629875	0	41	-1.0	-51.13	343.31	3.89	-47.24
CC(C)(C)[C@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007629876	0	47	-1.0	-42.65	386.66	5.66	-36.99
CC(C)(C)[C@H](NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007629877	0	38	-1.0	-49.53	320.57	4.09	-45.44
CC(C)(C)[C@H](NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007629878	0	36	-1.0	-47.00	303.40	3.96	-43.04
CC1=NC(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CS1	REAL300007629879	0	36	-1.0	-45.56	312.12	2.44	-43.12
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007629880	0	37	-1.0	-40.05	324.80	5.35	-34.70
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1Cl	REAL300007629881	0	37	-1.0	-40.14	319.75	5.19	-34.95
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007629882	0	40	-1.0	-51.02	332.39	5.08	-45.94
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2)=N1	REAL300007629883	0	43	-1.0	-47.15	373.55	5.61	-41.54
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007629884	0	42	-1.0	-48.81	339.00	5.39	-43.42
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007629885	0	41	-1.0	-46.68	349.37	1.96	-44.72
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007629886	0	43	-1.0	-51.53	335.73	4.77	-46.76
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007629887	0	37	-1.0	-41.55	325.41	5.27	-36.28
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629888	0	59	-1.0	-42.62	464.61	9.02	-33.60
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629889	0	47	-1.0	-43.35	374.31	5.77	-37.58
COC(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1CCCC1	REAL300007629890	0	47	-1.0	-43.12	360.81	4.92	-38.20
COC(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1CCCCC1	REAL300007629891	0	50	-1.0	-41.78	371.18	5.45	-36.33
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007629892	0	48	-1.0	-45.52	401.83	7.48	-38.04
CCOC(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1CC1	REAL300007629893	0	44	-1.0	-43.98	349.93	4.42	-39.56
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C(C)C	REAL300007629894	0	53	-1.0	-43.89	415.81	7.18	-36.71
CCC1=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CN1CC1CC1	REAL300007629895	0	47	-1.0	-55.81	386.01	6.09	-49.72
CC(C)(C)[C@H](NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007629896	0	37	-1.0	-44.59	327.06	3.66	-40.93
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)=C1[N+](=O)[O-]	REAL300007629897	0	42	-1.0	-43.65	343.91	6.45	-37.20
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629898	0	41	-1.0	-43.54	328.36	3.81	-39.73
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007629899	0	47	-1.0	-43.66	387.30	6.39	-37.27
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629900	0	37	-1.0	-48.44	324.01	2.46	-45.98
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007629901	0	45	-1.0	-45.37	384.91	8.20	-37.17
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007629902	0	44	-1.0	-48.58	347.84	7.40	-41.18
CCC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C(C)C=C1OC	REAL300007629903	0	47	-1.0	-44.36	370.41	5.63	-38.73
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007629904	0	40	-1.0	-40.64	358.53	6.02	-34.62
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N1	REAL300007629905	1	36	-1.0	-51.49	310.09	3.28	-48.21
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC=CC=C2C=C1	REAL300007629906	0	43	-1.0	-46.37	335.92	7.23	-39.14
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N1	REAL300007629907	0	43	-1.0	-42.97	353.45	2.66	-40.31
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629908	0	38	-1.0	-46.64	321.07	4.20	-42.44
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C(C)C	REAL300007629909	0	50	-1.0	-44.25	394.31	6.38	-37.87
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1F	REAL300007629910	0	46	-1.0	-41.71	362.57	6.38	-35.33
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007629911	0	53	-1.0	-42.00	407.39	8.57	-33.43
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629912	0	44	-1.0	-45.36	341.59	4.07	-41.29
CN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C(C)(C)C)=N1	REAL300007629913	0	46	-1.0	-41.68	352.65	4.32	-37.36
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007629914	0	44	-1.0	-47.40	353.95	4.53	-42.87
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629915	0	37	-1.0	-41.89	317.05	2.95	-38.94
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629916	0	41	-1.0	-45.13	340.10	4.19	-40.94
C=CCCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007629917	0	44	-1.0	-45.05	364.52	6.92	-38.13
CCC1=NN(C)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629918	0	40	-1.0	-46.88	332.15	3.20	-43.68
CCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C(C)C	REAL300007629919	0	56	-1.0	-43.20	437.24	7.93	-35.27
CC(C)(C)[C@H](NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007629920	0	38	-1.0	-41.89	332.91	5.82	-36.07
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C(C)(C)C	REAL300007629921	0	56	-1.0	-46.48	431.34	7.86	-38.62
CCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1CC	REAL300007629922	0	50	-1.0	-43.28	398.89	6.64	-36.64
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629923	0	40	-1.0	-40.00	329.90	6.24	-33.76
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629924	0	40	-1.0	-40.99	345.28	6.08	-34.91
CC(C)(C)[C@H](NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007629925	0	38	-1.0	-44.84	332.69	5.79	-39.05
CCCC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629926	0	43	-1.0	-43.08	339.04	6.68	-36.40
COC1=NC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629927	0	37	-1.0	-46.27	295.18	1.57	-44.70
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629928	0	50	-1.0	-49.40	405.30	7.05	-42.35
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007629929	0	39	-1.0	-48.98	323.46	4.70	-44.28
CC1=CSC(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629930	0	37	-1.0	-42.39	306.70	4.74	-37.65
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007629931	0	41	-1.0	-48.58	337.21	3.83	-44.75
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007629932	0	41	-1.0	-43.78	329.50	4.06	-39.72
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007629933	0	44	-1.0	-42.61	351.22	4.61	-38.00
CC(C)(C)[C@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007629934	0	45	-1.0	-45.28	346.90	2.02	-43.26
CC(C)(C)[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007629935	0	40	-1.0	-45.71	351.12	5.04	-40.67
CC(C)(C)[C@H](NS(=O)(=O)C1=CN=C2CCCCN21)C(=O)[O-]	REAL300007629936	0	41	-1.0	-46.60	323.58	4.01	-42.59
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C(C)C	REAL300007629937	0	59	-1.0	-43.73	458.80	8.74	-34.99
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C	REAL300007629938	0	50	-1.0	-44.89	386.26	6.13	-38.76
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629939	0	44	-1.0	-42.54	349.24	5.72	-36.82
CC1CC2=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C2O1	REAL300007629940	0	42	-1.0	-47.63	330.11	4.78	-42.85
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300007629941	0	42	-1.0	-43.13	352.96	3.80	-39.33
CC(C)(C)[C@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007629942	0	40	-1.0	-48.55	337.42	4.65	-43.90
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629943	0	39	-1.0	-58.11	327.64	3.75	-54.36
CC(C)(C)[C@H](NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300007629944	0	43	-1.0	-41.75	330.50	4.10	-37.65
CC(C)(C)[C@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007629945	0	38	-1.0	-45.39	326.48	4.19	-41.20
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300007629946	0	35	-1.0	-40.07	299.15	2.89	-37.18
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007629947	0	37	-1.0	-47.26	325.38	5.62	-41.64
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629948	0	41	-1.0	-45.45	338.49	3.90	-41.55
CC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)=C1F	REAL300007629949	0	43	-1.0	-42.08	335.63	6.30	-35.78
COC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1OC	REAL300007629950	0	42	-1.0	-49.49	344.08	4.00	-45.49
CC(C)(C)[C@H](NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007629951	0	37	-1.0	-45.30	301.53	3.90	-41.40
CN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C2CCCC2)=N1	REAL300007629952	0	47	-1.0	-47.26	372.53	5.01	-42.25
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629953	0	46	-1.0	-47.18	362.28	4.73	-42.45
CCCCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)=N1	REAL300007629954	0	46	-1.0	-47.28	375.99	4.85	-42.43
CN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C2CC2)=N1	REAL300007629955	0	41	-1.0	-47.90	343.84	4.04	-43.86
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007629956	0	38	-1.0	-44.45	323.53	3.67	-40.78
CN1N=NC2=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=CC=C21	REAL300007629957	0	39	-1.0	-57.06	318.16	2.70	-54.36
CC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Br	REAL300007629958	0	40	-1.0	-41.84	340.49	6.04	-35.80
CC(C)(C)[C@H](NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300007629959	0	45	-1.0	-42.76	341.75	4.66	-38.10
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007629960	0	40	-1.0	-41.39	355.24	5.26	-36.13
CN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C2CCC2)=N1	REAL300007629961	0	44	-1.0	-47.15	357.74	4.50	-42.65
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629962	0	52	-1.0	-43.44	394.90	7.95	-35.49
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007629963	0	40	-1.0	-40.49	355.48	5.98	-34.51
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007629964	0	44	-1.0	-45.70	358.25	4.74	-40.96
CC(C)(C)[C@H](NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007629965	0	38	-1.0	-43.44	321.03	5.31	-38.13
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007629966	0	45	-1.0	-39.64	361.68	6.95	-32.69
COC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=NC=CC=C2C=C1	REAL300007629967	0	43	-1.0	-56.55	348.83	5.40	-51.15
CCCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629968	0	43	-1.0	-45.71	351.71	6.35	-39.36
CN1N=C2CCCC2=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629969	0	41	-1.0	-45.91	329.99	3.60	-42.31
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007629970	0	43	-1.0	-44.00	332.48	3.87	-40.13
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007629971	0	43	-1.0	-46.61	351.81	3.86	-42.75
CC(C)(C)[C@H](NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007629972	0	41	-1.0	-45.05	336.15	3.21	-41.84
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CN=C1C(F)(F)F	REAL300007629973	0	39	-1.0	-41.37	338.23	3.96	-37.41
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007629974	0	37	-1.0	-38.08	329.74	5.17	-32.91
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629975	0	45	-1.0	-47.46	368.87	6.13	-41.33
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007629976	0	45	-1.0	-47.07	355.50	7.21	-39.86
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007629977	0	40	-1.0	-43.21	349.41	5.16	-38.05
CC(C)(C)[C@H](NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007629978	0	40	-1.0	-45.56	328.63	4.56	-41.00
CC(C)(C)[C@H](NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007629979	0	41	-1.0	-46.88	337.38	2.47	-44.41
CC(C)(C)[C@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007629980	0	34	-1.0	-43.04	303.46	4.43	-38.61
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300007629981	0	41	-1.0	-43.84	333.50	6.20	-37.64
COC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=CS1	REAL300007629982	0	35	-1.0	-41.97	293.75	3.11	-38.86
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007629983	0	44	-1.0	-44.37	348.76	4.69	-39.68
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629984	0	43	-1.0	-44.94	347.85	4.06	-40.88
CN(C1CCCCCC1)S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629985	0	48	-1.0	-43.08	356.49	5.18	-37.90
CN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C2CCOCC2)=N1	REAL300007629986	0	48	-1.0	-45.91	380.29	3.17	-42.74
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(C(C)(F)F)=CC=C1)C(=O)[O-]	REAL300007629987	0	40	-1.0	-40.50	337.51	5.63	-34.87
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007629988	0	38	-1.0	-46.26	326.57	3.72	-42.54
CC(C)(C)[C@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007629989	0	49	-1.0	-42.73	382.83	6.82	-35.91
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)S1	REAL300007629990	0	35	-1.0	-41.92	308.06	2.56	-39.36
CC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=NC=CC=C12	REAL300007629991	0	45	-1.0	-52.86	354.88	6.47	-46.39
CC(C)(C)[C@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007629992	0	42	-1.0	-39.62	342.85	4.27	-35.35
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300007629993	0	37	-1.0	-41.45	316.95	2.80	-38.65
CCOCC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007629994	0	44	-1.0	-47.29	361.21	4.78	-42.51
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007629995	0	44	-1.0	-47.12	363.97	5.26	-41.86
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007629996	0	47	-1.0	-48.22	373.71	5.10	-43.12
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007629997	0	45	-1.0	-45.79	376.00	6.99	-38.80
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300007629998	0	37	-1.0	-45.08	303.42	4.93	-40.15
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC(C)=C1Br	REAL300007629999	0	40	-1.0	-43.03	345.01	5.89	-37.14
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC=CC=C12	REAL300007630000	0	43	-1.0	-46.63	339.72	6.84	-39.79
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC	REAL300007630135	0	38	-1.0	-47.16	298.42	3.59	-43.57
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300007630136	0	45	-1.0	-47.95	359.98	3.79	-44.16
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300007630137	0	45	-1.0	-49.75	358.72	0.54	-49.21
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300007630138	0	42	-1.0	-51.12	325.80	5.03	-46.09
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007630139	0	42	-1.0	-49.64	333.80	5.58	-44.06
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007630140	0	45	-1.0	-46.08	344.83	2.05	-44.03
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300007630141	0	48	-1.0	-48.44	385.77	4.83	-43.61
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300007630142	0	48	-1.0	-48.04	386.22	4.88	-43.16
CCCN1C=NC(S(=O)(=O)NC(C)(CC)CC(=O)[O-])=C1	REAL300007630143	0	40	-1.0	-48.70	316.60	4.92	-43.78
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC(C)COC1CCCC1	REAL300007630144	0	50	-1.0	-45.15	369.13	5.17	-39.98
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300007630145	0	41	-1.0	-43.75	337.49	3.95	-39.80
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007630146	0	42	-1.0	-44.68	324.77	1.25	-43.43
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300007630147	0	38	-1.0	-43.43	320.04	3.57	-39.86
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007630148	0	38	-1.0	-45.72	307.90	3.86	-41.86
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300007630149	0	40	-1.0	-44.95	324.77	4.39	-40.56
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300007630150	0	40	-1.0	-42.16	324.46	5.53	-36.63
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300007630151	0	40	-1.0	-45.65	315.09	5.09	-40.56
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300007630152	0	40	-1.0	-42.09	320.79	5.08	-37.01
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)C	REAL300007630153	0	43	-1.0	-45.09	311.86	5.21	-39.88
CCOC1=CC=CC(S(=O)(=O)NC(C)(CC)CC(=O)[O-])=C1	REAL300007630154	0	41	-1.0	-46.71	317.43	3.72	-42.99
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CCOC)N=C1	REAL300007630155	0	41	-1.0	-47.48	326.75	1.10	-46.38
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007630156	0	41	-1.0	-48.99	332.44	4.17	-44.82
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007630157	0	42	-1.0	-49.45	342.59	5.99	-43.46
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007630158	0	39	-1.0	-45.74	307.46	3.86	-41.88
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007630159	0	37	-1.0	-46.46	314.17	5.14	-41.32
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300007630160	0	37	-1.0	-46.25	309.84	5.08	-41.17
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007630161	0	41	-1.0	-59.79	333.79	1.52	-58.27
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300007630162	0	37	-1.0	-42.31	311.97	4.94	-37.37
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Br)=C1C	REAL300007630163	0	37	-1.0	-43.03	296.22	4.70	-38.33
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1COC	REAL300007630164	0	41	-1.0	-43.77	314.23	3.88	-39.89
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300007630165	0	38	-1.0	-42.93	318.63	3.64	-39.29
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300007630166	0	42	-1.0	-47.71	337.40	3.36	-44.35
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007630167	0	37	-1.0	-48.26	310.85	2.57	-45.69
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007630168	0	37	-1.0	-47.74	306.07	2.34	-45.40
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007630169	0	45	-1.0	-44.75	346.68	4.91	-39.84
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007630170	0	37	-1.0	-45.57	304.23	2.70	-42.87
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1	REAL300007630171	0	46	-1.0	-51.02	370.86	2.85	-48.17
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1SC	REAL300007630172	0	38	-1.0	-46.50	305.51	4.78	-41.72
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007630173	0	42	-1.0	-47.06	347.69	0.43	-46.63
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007630174	0	45	-1.0	-53.42	350.86	3.75	-49.67
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300007630175	0	45	-1.0	-46.08	369.16	1.33	-44.75
CCC1=CC=C(CS(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1	REAL300007630176	0	43	-1.0	-45.20	336.14	6.01	-39.19
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CS1	REAL300007630177	0	37	-1.0	-44.20	304.45	4.34	-39.86
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007630178	0	49	-1.0	-45.03	382.47	4.10	-40.93
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007630179	0	46	-1.0	-47.93	351.05	3.53	-44.40
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300007630180	0	43	-1.0	-51.65	350.66	2.03	-49.62
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300007630181	0	44	-1.0	-52.51	352.70	1.04	-51.47
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C)C(C)=C1	REAL300007630182	0	43	-1.0	-45.42	331.15	5.67	-39.75
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1Br	REAL300007630183	0	41	-1.0	-45.15	340.48	4.56	-40.59
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300007630184	0	48	-1.0	-46.96	377.69	6.72	-40.24
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007630185	0	38	-1.0	-45.39	318.22	4.32	-41.07
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300007630186	0	41	-1.0	-46.33	338.24	4.29	-42.04
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007630187	0	48	-1.0	-45.34	382.47	5.61	-39.73
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300007630188	0	41	-1.0	-46.70	331.53	4.69	-42.01
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300007630189	0	46	-1.0	-46.17	360.43	5.21	-40.96
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)CC	REAL300007630190	0	41	-1.0	-49.33	330.88	-1.47	-50.80
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300007630191	0	40	-1.0	-47.82	323.32	5.17	-42.65
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007630192	0	37	-1.0	-42.83	324.02	5.66	-37.17
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300007630193	0	40	-1.0	-45.17	334.84	6.57	-38.60
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007630194	0	37	-1.0	-43.79	324.02	5.64	-38.15
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007630195	0	40	-1.0	-47.32	320.36	6.26	-41.06
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007630196	0	40	-1.0	-44.78	329.10	5.42	-39.36
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007630197	0	45	-1.0	-46.76	350.64	5.21	-41.55
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007630198	0	48	-1.0	-45.42	384.53	6.98	-38.44
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007630199	0	47	-1.0	-49.60	375.50	5.19	-44.41
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007630200	0	45	-1.0	-49.92	368.98	0.82	-49.10
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300007630201	0	43	-1.0	-45.34	336.26	6.74	-38.60
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CCC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007630203	0	40	-1.0	-44.25	330.93	5.80	-38.45
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007630204	0	39	-1.0	-49.02	301.35	0.47	-48.55
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCOCC1CCCC1	REAL300007630205	0	47	-1.0	-43.76	354.23	4.32	-39.44
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300007630206	0	41	-1.0	-45.33	330.25	4.32	-41.01
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007630207	0	43	-1.0	-56.58	353.56	2.04	-54.54
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300007630208	0	38	-1.0	-45.08	323.94	5.14	-39.94
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(CC)CC(=O)[O-]	REAL300007630209	0	46	-1.0	-44.63	340.24	4.01	-40.62
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007630210	0	42	-1.0	-45.28	340.23	2.22	-43.06
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C12	REAL300007630211	0	41	-1.0	-44.73	327.48	1.21	-43.52
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CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007630213	0	39	-1.0	-45.86	313.83	2.79	-43.07
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CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007630215	0	41	-1.0	-57.82	313.81	4.15	-53.67
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007630216	0	40	-1.0	-43.42	337.77	1.65	-41.77
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007630217	0	43	-1.0	-50.83	335.46	7.45	-43.38
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300007630218	0	41	-1.0	-44.56	319.56	3.81	-40.75
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1(C)CCCCC1	REAL300007630219	0	46	-1.0	-44.52	318.66	5.28	-39.24
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007630220	0	43	-1.0	-45.09	328.08	4.95	-40.14
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007630222	0	42	-1.0	-45.54	338.71	4.84	-40.70
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300007630223	0	41	-1.0	-42.91	341.03	3.90	-39.01
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C)C=C1F	REAL300007630224	0	40	-1.0	-47.98	320.00	5.28	-42.70
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007630226	0	34	-1.0	-42.56	300.00	3.76	-38.80
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007630227	0	47	-1.0	-46.60	357.86	7.11	-39.49
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007630228	0	45	-1.0	-46.55	350.88	4.55	-42.00
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007630229	0	43	-1.0	-51.98	331.86	0.96	-51.02
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007630230	0	37	-1.0	-47.85	305.61	4.35	-43.50
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCC1=C(C)N=CS1	REAL300007630231	0	39	-1.0	-45.18	317.75	2.97	-42.21
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC12CCC(CC1)C2	REAL300007630232	0	44	-1.0	-44.98	317.74	5.21	-39.77
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300007630233	0	46	-1.0	-45.00	352.19	5.31	-39.69
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007630234	0	45	-1.0	-52.47	340.28	0.90	-51.57
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1CCCCC1(F)F	REAL300007630235	0	43	-1.0	-46.82	317.51	4.97	-41.85
CCC(C)(CC(=O)[O-])NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007630236	0	41	-1.0	-47.95	317.20	5.74	-42.21
CCC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007630237	0	42	-1.0	-44.36	331.25	5.49	-38.87
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007630238	0	34	-1.0	-42.25	283.92	4.15	-38.10
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007630239	0	34	-1.0	-42.12	288.48	4.26	-37.86
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007630240	0	36	-1.0	-43.15	296.32	4.30	-38.85
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007630241	0	40	-1.0	-45.47	315.27	5.95	-39.52
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007630242	0	36	-1.0	-49.10	294.30	4.16	-44.94
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300007630243	0	39	-1.0	-49.03	304.25	4.75	-44.28
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1	REAL300007630244	0	38	-1.0	-44.11	296.68	2.93	-41.18
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007630245	0	36	-1.0	-49.57	287.45	5.20	-44.37
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(CC)CC(=O)[O-]	REAL300007630246	0	41	-1.0	-46.31	335.16	5.07	-41.24
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1	REAL300007630247	0	41	-1.0	-43.79	319.45	3.85	-39.94
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300007630248	0	46	-1.0	-44.21	329.21	6.32	-37.89
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300007630249	0	43	-1.0	-43.93	316.09	5.91	-38.02
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300007630250	0	49	-1.0	-45.18	352.29	6.41	-38.77
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007630251	0	37	-1.0	-45.13	304.81	4.48	-40.65
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007630252	0	37	-1.0	-45.89	286.16	4.88	-41.01
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007630253	0	34	-1.0	-44.22	282.81	4.00	-40.22
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300007630254	0	39	-1.0	-45.39	307.64	4.03	-41.36
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300007630255	0	40	-1.0	-46.65	324.76	4.40	-42.25
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007630256	0	46	-1.0	-43.56	344.32	5.95	-37.61
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300007630257	0	43	-1.0	-43.57	328.33	5.56	-38.01
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007630258	0	45	-1.0	-48.49	361.93	1.68	-46.81
CCCC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1	REAL300007630259	0	43	-1.0	-43.68	331.58	5.86	-37.82
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC	REAL300007630260	0	38	-1.0	-46.58	299.11	3.40	-43.18
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300007630261	0	38	-1.0	-45.41	318.62	3.63	-41.78
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300007630262	0	37	-1.0	-42.26	308.99	4.85	-37.41
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300007630263	0	48	-1.0	-44.99	378.84	7.14	-37.85
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007630264	0	38	-1.0	-42.59	313.18	3.43	-39.16
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300007630265	0	49	-1.0	-45.14	335.27	6.43	-38.71
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007630266	0	43	-1.0	-44.18	329.17	3.52	-40.66
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300007630267	0	50	-1.0	-47.30	368.19	5.84	-41.46
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300007630268	0	39	-1.0	-49.03	312.76	4.76	-44.27
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300007630269	0	38	-1.0	-46.42	313.30	4.14	-42.28
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300007630270	0	52	-1.0	-43.27	373.42	7.55	-35.72
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007630271	0	37	-1.0	-42.18	306.82	4.63	-37.55
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007630272	0	44	-1.0	-44.17	331.21	6.10	-38.07
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300007630273	0	42	-1.0	-49.18	321.48	2.81	-46.37
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300007630274	0	42	-1.0	-46.22	327.46	2.87	-43.35
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007630275	0	41	-1.0	-44.75	315.02	5.57	-39.18
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007630276	0	42	-1.0	-48.97	321.31	5.98	-42.99
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007630277	0	39	-1.0	-44.81	305.35	3.52	-41.29
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300007630278	0	49	-1.0	-43.54	370.64	7.14	-36.40
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1OCC	REAL300007630279	0	48	-1.0	-45.30	371.70	4.70	-40.60
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007630280	0	39	-1.0	-49.84	322.35	-1.42	-51.26
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300007630281	0	42	-1.0	-48.49	322.71	5.40	-43.09
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300007630282	0	42	-1.0	-50.31	325.03	5.06	-45.25
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300007630283	0	40	-1.0	-47.54	316.98	4.50	-43.04
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300007630284	0	38	-1.0	-43.96	315.20	3.96	-40.00
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007630285	0	39	-1.0	-50.06	322.73	-1.44	-51.50
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007630286	0	46	-1.0	-52.39	378.23	1.50	-50.89
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300007630287	0	42	-1.0	-46.46	325.35	4.99	-41.47
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300007630288	0	42	-1.0	-48.03	325.73	6.34	-41.69
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007630289	0	45	-1.0	-48.97	364.06	1.61	-47.36
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007630290	0	46	-1.0	-57.85	353.36	2.95	-54.90
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007630291	0	40	-1.0	-52.50	329.19	1.13	-51.37
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007630292	0	44	-1.0	-45.68	333.36	7.66	-38.02
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007630293	0	40	-1.0	-46.70	310.09	6.05	-40.65
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007630294	0	44	-1.0	-45.13	342.28	7.04	-38.09
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1C	REAL300007630295	0	37	-1.0	-45.47	282.49	4.15	-41.32
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007630296	0	48	-1.0	-45.57	357.11	5.61	-39.96
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007630297	0	35	-1.0	-47.52	295.27	2.05	-45.47
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300007630298	0	38	-1.0	-46.65	308.74	4.04	-42.61
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC)=C1	REAL300007630299	0	38	-1.0	-45.00	298.99	2.96	-42.04
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1	REAL300007630300	0	49	-1.0	-43.51	358.54	6.42	-37.09
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300007630301	0	37	-1.0	-42.68	304.15	4.77	-37.91
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300007630302	0	44	-1.0	-43.89	338.83	4.56	-39.33
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CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300007630316	0	39	-1.0	-43.59	305.23	4.85	-38.74
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CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007630328	0	38	-1.0	-45.19	323.99	3.79	-41.40
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CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300007630332	0	45	-1.0	-47.03	353.06	3.12	-43.91
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1F	REAL300007630333	0	37	-1.0	-48.25	298.57	4.60	-43.65
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1C	REAL300007630334	0	37	-1.0	-42.93	298.30	4.79	-38.14
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300007630335	0	42	-1.0	-48.81	315.57	6.42	-42.39
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300007630336	0	43	-1.0	-50.95	336.74	1.60	-49.35
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007630337	0	46	-1.0	-48.50	377.10	1.48	-47.02
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)N=C(C)S1	REAL300007630338	0	36	-1.0	-43.51	292.64	2.21	-41.30
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007630339	0	37	-1.0	-44.69	300.73	4.89	-39.80
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300007630340	0	38	-1.0	-43.63	304.44	3.04	-40.59
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007630341	0	44	-1.0	-46.89	340.28	6.92	-39.97
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007630342	0	37	-1.0	-44.61	326.04	5.46	-39.15
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CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300007630345	0	42	-1.0	-48.45	332.24	1.30	-47.15
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300007630346	0	44	-1.0	-43.72	325.30	4.46	-39.26
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007630347	0	45	-1.0	-45.92	353.71	7.78	-38.14
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300007630348	0	44	-1.0	-45.47	327.55	4.21	-41.26
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300007630349	0	42	-1.0	-46.59	319.98	4.85	-41.74
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007630350	0	39	-1.0	-47.21	306.03	4.28	-42.93
CCN1C=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007630351	0	39	-1.0	-48.74	314.38	4.16	-44.58
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007630352	0	41	-1.0	-44.63	339.03	4.32	-40.31
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007630353	0	48	-1.0	-44.91	379.35	6.91	-38.00
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(CC)CC(=O)[O-])=C1	REAL300007630354	0	42	-1.0	-49.30	332.57	4.93	-44.37
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007630355	0	44	-1.0	-45.38	351.72	5.15	-40.23
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007630356	0	37	-1.0	-59.48	289.05	2.46	-57.02
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007630357	0	42	-1.0	-49.64	344.99	0.24	-49.40
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300007630358	0	37	-1.0	-47.12	299.29	4.60	-42.52
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C2=CC=CC=C12	REAL300007630359	0	47	-1.0	-46.58	353.86	6.03	-40.55
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)(CC)CC(=O)[O-]	REAL300007630360	0	44	-1.0	-47.20	335.27	5.12	-42.08
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007630361	0	39	-1.0	-57.06	314.35	3.66	-53.40
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007630362	0	41	-1.0	-50.81	326.44	4.70	-46.11
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1	REAL300007630363	0	48	-1.0	-45.46	374.93	4.09	-41.37
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1	REAL300007630364	0	50	-1.0	-43.92	383.93	6.21	-37.71
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007630365	0	44	-1.0	-44.97	316.22	5.93	-39.04
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007630366	0	38	-1.0	-43.07	323.57	5.10	-37.97
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007630367	0	39	-1.0	-43.85	305.23	2.96	-40.89
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007630368	0	42	-1.0	-51.87	333.08	5.13	-46.74
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007630369	0	39	-1.0	-47.95	317.30	3.83	-44.12
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C(C)=C1	REAL300007630370	0	44	-1.0	-44.77	330.53	4.51	-40.26
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007630371	0	38	-1.0	-46.58	308.24	3.71	-42.87
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC)C=C1	REAL300007630372	0	38	-1.0	-43.64	307.39	4.66	-38.98
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007630373	0	40	-1.0	-47.40	331.94	5.55	-41.85
CCN1C=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])N=C1C	REAL300007630374	0	40	-1.0	-51.43	314.45	4.02	-47.41
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007630375	0	40	-1.0	-47.12	305.03	3.25	-43.87
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007630376	0	39	-1.0	-46.24	305.20	4.12	-42.12
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007630377	0	46	-1.0	-49.52	362.26	5.59	-43.93
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300007630378	0	40	-1.0	-45.14	320.79	5.10	-40.04
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007630379	0	40	-1.0	-48.03	340.41	4.71	-43.32
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007630380	0	43	-1.0	-47.03	333.37	5.20	-41.83
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300007630381	0	42	-1.0	-46.96	335.56	3.29	-43.67
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(COC)=C1	REAL300007630382	0	41	-1.0	-45.39	321.15	3.20	-42.19
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007630383	0	45	-1.0	-47.91	348.35	4.95	-42.96
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300007630384	0	37	-1.0	-46.52	307.35	5.01	-41.51
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007630385	0	42	-1.0	-47.32	331.89	4.34	-42.98
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007630386	0	37	-1.0	-46.52	320.13	5.42	-41.10
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300007630387	0	42	-1.0	-44.80	326.47	4.27	-40.53
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(CC)CC(=O)[O-]	REAL300007630388	0	46	-1.0	-44.26	315.38	6.18	-38.08
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300007630389	0	46	-1.0	-51.18	358.69	2.64	-48.54
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007630390	0	45	-1.0	-45.81	374.14	6.98	-38.83
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007630391	0	40	-1.0	-46.76	335.99	4.71	-42.05
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007630392	0	40	-1.0	-47.75	350.72	5.16	-42.59
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300007630393	0	43	-1.0	-49.46	345.41	2.72	-46.74
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007630394	0	37	-1.0	-46.31	308.56	2.49	-43.82
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007630395	0	37	-1.0	-47.71	299.37	4.29	-43.42
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007630396	0	37	-1.0	-46.19	295.30	2.33	-43.86
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)N=C1	REAL300007630397	0	37	-1.0	-43.35	296.24	0.34	-43.01
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCN12	REAL300007630398	0	38	-1.0	-49.22	295.82	2.90	-46.32
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007630399	0	42	-1.0	-45.19	322.92	4.28	-40.91
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300007630400	0	44	-1.0	-45.90	348.28	5.30	-40.60
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007630401	0	42	-1.0	-45.03	343.25	4.77	-40.26
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300007630402	0	39	-1.0	-43.12	311.47	4.78	-38.34
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300007630403	0	45	-1.0	-54.66	353.63	4.34	-50.32
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007630404	0	36	-1.0	-45.02	301.08	3.13	-41.89
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300007630405	0	42	-1.0	-45.50	320.61	4.05	-41.45
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300007630406	0	43	-1.0	-45.34	336.61	6.60	-38.74
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CS1	REAL300007630407	0	35	-1.0	-47.14	287.87	2.44	-44.70
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CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007630409	0	39	-1.0	-47.49	306.86	3.54	-43.95
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CCCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1C(C)C	REAL300007630456	0	53	-1.0	-43.59	400.71	6.71	-36.88
CCC1=NC(S(=O)(=O)NC(C)(CC)CC(=O)[O-])=CN1CC1CC1	REAL300007630457	0	47	-1.0	-50.71	361.12	6.46	-44.25
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007630458	0	37	-1.0	-43.80	307.67	3.14	-40.66
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CCC1=CC(S(=O)(=O)NC(C)(CC)CC(=O)[O-])=C(C)C=C1OC	REAL300007630465	0	47	-1.0	-44.81	356.46	5.27	-39.54
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007630466	0	40	-1.0	-42.02	339.31	5.50	-36.52
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007630467	1	36	-1.0	-49.88	296.95	2.86	-47.02
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300007630468	0	43	-1.0	-46.43	320.59	6.64	-39.79
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300007630469	0	43	-1.0	-44.13	338.34	2.11	-42.02
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1OC	REAL300007630470	0	38	-1.0	-44.44	300.03	3.77	-40.67
CCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1C(C)C	REAL300007630471	0	50	-1.0	-43.78	379.21	5.91	-37.87
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007630472	0	46	-1.0	-42.38	346.91	5.91	-36.47
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007630473	0	53	-1.0	-44.86	395.11	8.38	-36.48
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007630474	0	44	-1.0	-43.84	319.04	3.73	-40.11
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007630475	0	46	-1.0	-44.50	326.80	3.70	-40.80
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007630476	0	44	-1.0	-48.58	333.29	3.93	-44.65
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007630477	0	37	-1.0	-40.69	291.39	2.33	-38.36
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300007630478	0	41	-1.0	-46.48	327.31	3.91	-42.57
C=CCCC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1	REAL300007630479	0	44	-1.0	-43.65	344.39	6.42	-37.23
CCC1=NN(C)C=C1S(=O)(=O)NC(C)(CC)CC(=O)[O-]	REAL300007630480	0	40	-1.0	-45.67	315.57	2.68	-42.99
CCCCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1C(C)C	REAL300007630481	0	56	-1.0	-44.02	422.20	7.48	-36.54
CCC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007630482	0	38	-1.0	-43.70	314.32	5.36	-38.34
CCCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1C(C)(C)C	REAL300007630483	0	56	-1.0	-44.14	413.52	7.38	-36.76
CCCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1CC	REAL300007630484	0	50	-1.0	-43.48	383.25	6.18	-37.30
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300007630485	0	40	-1.0	-41.71	313.85	5.73	-35.98
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300007630486	0	40	-1.0	-43.52	329.90	5.67	-37.85
CCC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007630487	0	38	-1.0	-46.48	316.07	5.42	-41.06
CCCC1=CC=CC=C1S(=O)(=O)NC(C)(CC)CC(=O)[O-]	REAL300007630488	0	43	-1.0	-43.91	322.12	6.20	-37.71
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CN=C1OC	REAL300007630489	0	37	-1.0	-46.20	296.17	0.80	-45.40
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300007630490	0	50	-1.0	-48.05	378.31	6.05	-42.00
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007630491	0	39	-1.0	-47.69	299.12	3.88	-43.81
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)SC=C1C	REAL300007630492	0	37	-1.0	-41.86	289.53	4.23	-37.63
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007630493	0	41	-1.0	-47.12	316.90	3.16	-43.96
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007630494	0	41	-1.0	-45.08	312.77	3.39	-41.69
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007630495	0	44	-1.0	-43.71	333.18	4.18	-39.53
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007630496	0	45	-1.0	-47.67	345.86	1.69	-45.98
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007630497	0	40	-1.0	-45.44	334.41	4.64	-40.80
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2CCCCN12	REAL300007630498	0	41	-1.0	-47.31	311.27	3.63	-43.68
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C=C1C(C)C	REAL300007630499	0	59	-1.0	-43.43	443.70	8.27	-35.16
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300007630500	0	50	-1.0	-45.47	364.96	5.49	-39.98
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300007630501	0	44	-1.0	-46.86	338.14	5.10	-41.76
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300007630502	0	42	-1.0	-48.04	321.36	4.33	-43.71
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007630503	0	42	-1.0	-43.68	335.74	3.23	-40.45
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007630504	0	40	-1.0	-47.09	316.65	4.07	-43.02
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300007630505	0	39	-1.0	-54.01	309.00	3.12	-50.89
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007630506	0	35	-1.0	-43.29	284.62	2.47	-40.82
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007630507	0	37	-1.0	-48.35	304.70	5.17	-43.18
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007630508	0	41	-1.0	-44.16	319.58	3.30	-40.86
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300007630509	0	43	-1.0	-42.79	313.91	5.68	-37.11
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300007630510	0	42	-1.0	-46.34	323.03	3.53	-42.81
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=COC2=CC=CC=C12	REAL300007630511	0	37	-1.0	-45.91	293.29	3.78	-42.13
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007630512	0	47	-1.0	-45.93	348.96	4.12	-41.81
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300007630513	0	46	-1.0	-47.29	339.08	3.75	-43.54
CCCCN1C=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C(C)=N1	REAL300007630514	0	46	-1.0	-45.30	357.64	4.34	-40.96
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007630515	0	41	-1.0	-46.32	319.53	3.20	-43.12
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007630516	0	38	-1.0	-46.46	307.34	3.21	-43.25
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007630517	0	39	-1.0	-53.17	315.06	2.15	-51.02
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Br)=C(C)C=C1C	REAL300007630518	0	40	-1.0	-45.22	318.67	5.47	-39.75
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007630519	0	40	-1.0	-42.64	336.63	4.75	-37.89
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007630520	0	44	-1.0	-46.03	336.49	3.77	-42.26
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C	REAL300007630521	0	52	-1.0	-44.43	382.64	7.65	-36.78
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007630522	0	40	-1.0	-45.03	337.28	5.36	-39.67
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007630523	0	44	-1.0	-45.24	339.01	4.21	-41.03
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007630524	0	38	-1.0	-47.14	298.31	4.48	-42.66
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007630525	0	45	-1.0	-45.55	368.73	6.39	-39.16
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21	REAL300007630526	0	43	-1.0	-55.77	334.91	4.70	-51.07
CCCC1=CC=CC(S(=O)(=O)NC(C)(CC)CC(=O)[O-])=C1	REAL300007630527	0	43	-1.0	-43.69	333.88	5.87	-37.82
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2CCCC2=NN1C	REAL300007630528	0	41	-1.0	-44.89	312.58	2.98	-41.91
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007630529	0	43	-1.0	-43.93	315.53	3.45	-40.48
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007630530	0	43	-1.0	-44.71	330.82	3.23	-41.48
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007630531	0	41	-1.0	-45.16	313.54	2.43	-42.73
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1	REAL300007630532	0	39	-1.0	-42.30	320.33	3.49	-38.81
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007630533	0	37	-1.0	-41.61	314.40	4.72	-36.89
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(CC)CC(=O)[O-])=C1	REAL300007630534	0	45	-1.0	-53.04	350.66	5.53	-47.51
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007630535	0	45	-1.0	-45.81	331.64	6.69	-39.12
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007630536	0	40	-1.0	-44.70	330.75	4.63	-40.07
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007630537	0	34	-1.0	-43.50	286.08	4.15	-39.35
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007630538	0	41	-1.0	-43.89	317.63	5.71	-38.18
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(OC)SC=C1	REAL300007630539	0	35	-1.0	-45.92	286.29	2.22	-43.70
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007630540	0	44	-1.0	-44.79	333.46	4.25	-40.54
CCC(C)N1N=CC=C1S(=O)(=O)NC(C)(CC)CC(=O)[O-]	REAL300007630541	0	43	-1.0	-44.46	328.22	3.55	-40.91
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007630542	0	48	-1.0	-46.03	368.06	2.74	-43.29
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007630543	0	40	-1.0	-46.85	319.29	5.01	-41.84
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007630544	0	38	-1.0	-46.34	305.33	3.07	-43.27
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)S1	REAL300007630545	0	35	-1.0	-44.56	291.90	2.09	-42.47
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21	REAL300007630546	0	45	-1.0	-52.32	340.72	6.06	-46.26
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CCF)N=C1	REAL300007630547	0	37	-1.0	-44.68	299.40	2.20	-42.48
CCOCC1=CC=CC(S(=O)(=O)NC(C)(CC)CC(=O)[O-])=C1	REAL300007630548	0	44	-1.0	-45.25	343.00	4.17	-41.08
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007630549	0	44	-1.0	-46.30	345.22	4.69	-41.61
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007630550	0	47	-1.0	-48.53	352.27	4.53	-44.00
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007630551	0	45	-1.0	-44.63	356.09	6.46	-38.17
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CF	REAL300007630552	0	37	-1.0	-46.02	280.96	4.18	-41.84
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1	REAL300007630553	0	40	-1.0	-42.41	325.60	5.38	-37.03
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21	REAL300007630554	0	43	-1.0	-47.29	321.43	6.28	-41.01
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007630555	0	44	-1.0	-48.32	344.52	5.21	-43.11
CCC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007630556	0	38	-1.0	-44.74	304.00	4.91	-39.83
CCC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007630557	0	38	-1.0	-43.64	318.89	5.46	-38.18
CCC(C)(CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007630558	0	38	-1.0	-44.18	318.88	5.47	-38.71
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007630559	0	39	-1.0	-47.92	310.23	-2.27	-50.19
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007630560	0	37	-1.0	-49.15	292.59	3.90	-45.25
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1CCC(F)(F)CC1	REAL300007630561	0	40	-1.0	-45.67	298.36	3.97	-41.70
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007630562	0	36	-1.0	-47.64	300.28	3.06	-44.58
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCOC1CCOC1	REAL300007630563	0	42	-1.0	-46.70	323.95	1.02	-45.68
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300007630564	0	43	-1.0	-48.68	344.91	3.30	-45.38
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007630565	0	51	-1.0	-44.96	345.82	6.66	-38.30
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1CC(C)(C)CO1	REAL300007630566	0	44	-1.0	-45.60	328.00	2.91	-42.69
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007630567	0	37	-1.0	-48.49	298.03	-0.53	-49.02
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007630568	0	42	-1.0	-45.66	305.92	4.23	-41.43
CCC(C)(CC(=O)[O-])NS(=O)(=O)CCCCS(C)(=O)=O	REAL300007630569	0	42	-1.0	-56.36	339.60	0.63	-55.73
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1CCC(C)(C)CO1	REAL300007630570	0	47	-1.0	-44.65	342.62	4.39	-40.26
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007630571	0	44	-1.0	-43.82	340.01	6.16	-37.66
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007630572	0	38	-1.0	-50.58	317.19	2.80	-47.78
CCC(C)(CC(=O)[O-])NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007630573	0	44	-1.0	-46.50	350.87	6.60	-39.90
CCC(C)(CC(=O)[O-])NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007630574	0	43	-1.0	-47.60	323.65	1.10	-46.50
CCC(C)(CC(=O)[O-])NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007630575	0	47	-1.0	-42.39	334.78	5.79	-36.60
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007630576	0	38	-1.0	-45.35	311.20	5.04	-40.31
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007630577	0	56	-1.0	-44.38	399.07	7.82	-36.56
CCC(C)(CC(=O)[O-])NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1	REAL300007630578	0	45	-1.0	-44.40	345.69	4.86	-39.54
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(OC)C(OC)=CS1	REAL300007630579	0	39	-1.0	-45.91	318.71	1.57	-44.34
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007630580	0	38	-1.0	-45.29	316.95	4.55	-40.74
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007630581	0	38	-1.0	-45.17	314.75	3.30	-41.87
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007630582	0	40	-1.0	-45.89	305.10	3.34	-42.55
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007630583	0	41	-1.0	-47.64	323.00	5.44	-42.20
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007630584	0	43	-1.0	-43.02	348.11	4.17	-38.85
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C	REAL300007630585	0	47	-1.0	-47.64	360.91	5.95	-41.69
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007630586	0	45	-1.0	-47.88	355.84	6.36	-41.52
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007630587	0	40	-1.0	-49.78	295.99	5.16	-44.62
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007630588	0	35	-1.0	-45.15	305.41	2.42	-42.73
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)(CC)CC(=O)[O-])=C1	REAL300007630589	0	45	-1.0	-47.35	349.41	5.10	-42.25
CCN1C=C(S(=O)(=O)NC(C)(CC)CC(=O)[O-])C(C2CC2)=N1	REAL300007630590	0	44	-1.0	-46.31	341.07	4.07	-42.24
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=NSN=C21	REAL300007630591	0	38	-1.0	-49.87	305.68	2.99	-46.88
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007630592	0	40	-1.0	-43.59	331.96	6.45	-37.14
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007630593	0	44	-1.0	-44.04	360.41	7.58	-36.46
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007630594	0	33	-1.0	-40.54	292.13	1.62	-38.92
CCC1=CC(S(=O)(=O)NC(C)(CC)CC(=O)[O-])=CC=C1Br	REAL300007630595	0	40	-1.0	-42.07	327.72	5.53	-36.54
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C)=NN1C1CCCC1	REAL300007630596	0	47	-1.0	-46.36	354.35	4.70	-41.66
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CS1	REAL300007630597	0	31	-1.0	-41.12	274.75	3.24	-37.88
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(CCOC)=CC=C1OC	REAL300007630598	0	48	-1.0	-47.80	368.57	4.03	-43.77
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007630599	0	40	-1.0	-45.12	328.25	6.55	-38.57
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C2COCCC2=NN1C	REAL300007630600	0	42	-1.0	-43.96	310.19	1.37	-42.59
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007630601	0	41	-1.0	-45.50	307.20	5.66	-39.84
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007630602	0	49	-1.0	-44.23	371.58	4.07	-40.16
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CN=C1OC	REAL300007630603	0	37	-1.0	-43.37	313.01	1.31	-42.06
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN=C(OC)C(C)=C1	REAL300007630604	0	40	-1.0	-43.42	316.70	1.07	-42.35
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(CC(C)C)N=C1	REAL300007630605	0	43	-1.0	-47.57	334.42	3.58	-43.99
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CN(C(C)C)N=C1C	REAL300007630606	0	43	-1.0	-45.49	335.43	3.31	-42.18
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C(C)C	REAL300007630607	0	40	-1.0	-45.01	307.26	2.74	-42.27
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007630608	0	41	-1.0	-43.02	320.21	3.76	-39.26
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007630609	0	41	-1.0	-45.83	312.33	4.69	-41.14
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=C(C)N(C(C)C)N=C1	REAL300007630610	0	43	-1.0	-47.18	332.59	3.35	-43.83
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1	REAL300007630611	0	48	-1.0	-44.98	377.51	7.17	-37.81
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F	REAL300007630612	0	41	-1.0	-47.72	308.61	3.93	-43.79
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC	REAL300007630613	0	40	-1.0	-43.38	335.13	1.77	-41.61
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21	REAL300007630614	0	42	-1.0	-50.87	328.39	4.88	-45.99
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007630615	0	38	-1.0	-47.45	297.18	3.37	-44.08
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007630616	0	41	-1.0	-46.09	336.65	4.38	-41.71
CCC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C	REAL300007630617	0	47	-1.0	-47.32	353.15	5.70	-41.62
CC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630618	0	35	-1.0	-65.14	290.52	3.44	-61.70
CCC(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630619	0	42	-1.0	-52.34	330.89	5.82	-46.52
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300007630620	0	27	-1.0	-46.48	260.79	2.90	-43.58
COC1=CC=C(C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630621	0	37	-1.0	-55.54	297.44	3.62	-51.92
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630622	0	33	-1.0	-52.24	276.53	3.97	-48.27
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007630623	0	34	-1.0	-47.78	292.75	3.43	-44.35
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630624	0	36	-1.0	-58.16	312.91	0.75	-57.41
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007630625	0	34	-1.0	-50.38	296.02	2.84	-47.54
COC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1OC	REAL300007630626	0	41	-1.0	-52.93	320.41	2.85	-50.08
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630627	0	33	-1.0	-48.42	271.96	3.86	-44.56
CN(C1CCCCC1)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630628	0	41	-1.0	-50.24	309.96	3.95	-46.29
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630629	0	36	-1.0	-57.74	292.22	2.54	-55.20
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007630630	0	46	-1.0	-49.50	351.28	6.89	-42.61
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007630631	0	36	-1.0	-48.50	293.11	2.09	-46.41
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007630632	0	30	-1.0	-48.31	257.29	3.28	-45.03
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007630633	0	30	-1.0	-49.81	271.33	3.66	-46.15
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630634	0	35	-1.0	-45.35	274.32	4.59	-40.76
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007630635	0	36	-1.0	-51.30	316.28	5.25	-46.05
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630636	0	40	-1.0	-56.95	336.70	-0.18	-57.13
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630637	0	41	-1.0	-45.97	332.46	4.84	-41.13
CC1=CC(F)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630638	0	33	-1.0	-50.36	276.44	3.67	-46.69
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007630639	0	36	-1.0	-51.31	299.13	3.61	-47.70
COCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630640	0	37	-1.0	-50.99	305.14	2.76	-48.23
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300007630641	0	36	-1.0	-45.73	299.14	0.67	-45.06
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630642	0	39	-1.0	-65.53	337.24	1.44	-64.09
CS(=O)(=O)CCCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630643	0	35	-1.0	-61.58	303.27	-0.73	-62.31
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1C	REAL300007630644	0	40	-1.0	-52.33	310.61	3.73	-48.60
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007630645	0	35	-1.0	-53.65	307.78	3.63	-50.02
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007630646	0	33	-1.0	-49.03	299.35	4.59	-44.44
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007630647	0	35	-1.0	-56.80	292.81	3.71	-53.09
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2C(=O)[O-])CC1	REAL300007630648	0	40	-1.0	-52.47	320.39	-1.40	-53.87
CN(C1CCOCC1)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630649	0	39	-1.0	-41.46	287.65	0.73	-40.73
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007630650	0	39	-1.0	-56.36	317.58	3.72	-52.64
CCN1N=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1C	REAL300007630651	0	39	-1.0	-57.67	314.02	3.40	-54.27
CC(C)N1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300007630652	0	36	-1.0	-55.18	297.10	2.28	-52.90
CC(C)CN1C=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630653	0	39	-1.0	-52.02	316.25	4.14	-47.88
CC(C)N1C=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630654	0	36	-1.0	-52.05	297.33	3.55	-48.50
CC(C)C1=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN1	REAL300007630655	0	36	-1.0	-51.71	299.25	1.40	-50.31
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630656	0	42	-1.0	-49.79	303.30	5.58	-44.21
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630657	0	38	-1.0	-53.19	317.27	2.70	-50.49
COC1=CC(Cl)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1OC	REAL300007630658	0	38	-1.0	-48.68	313.66	2.39	-46.29
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Br	REAL300007630659	0	33	-1.0	-48.45	288.12	4.12	-44.33
CC1=C(F)C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630660	0	33	-1.0	-47.22	260.56	3.44	-43.78
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007630661	0	36	-1.0	-52.75	305.03	5.80	-46.95
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007630662	0	35	-1.0	-46.72	306.02	4.98	-41.74
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007630663	0	34	-1.0	-51.25	295.43	2.69	-48.56
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007630664	0	37	-1.0	-50.22	312.82	4.67	-45.55
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630665	0	45	-1.0	-52.61	347.82	4.51	-48.10
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007630666	0	33	-1.0	-46.80	284.25	3.96	-42.84
COCC1=CC=C(OC)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630667	0	41	-1.0	-57.17	331.13	2.67	-54.50
COC1=CC=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630670	0	34	-1.0	-55.77	282.43	3.02	-52.75
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630671	0	41	-1.0	-56.27	334.18	3.30	-52.97
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300007630672	0	41	-1.0	-50.15	342.01	-0.04	-50.19
O=C([O-])C1COCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007630673	0	48	-1.0	-50.51	339.62	4.86	-45.65
CC1=NC2=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=CC=C2C=C1	REAL300007630674	0	38	-1.0	-58.70	308.57	4.69	-54.01
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007630675	0	38	-1.0	-64.00	315.97	5.21	-58.79
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007630676	0	41	-1.0	-53.99	329.50	1.74	-52.25
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630677	0	44	-1.0	-55.17	368.80	4.17	-51.00
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630678	0	44	-1.0	-54.73	359.58	4.21	-50.52
CCCN1C=NC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630679	0	36	-1.0	-52.03	299.03	3.92	-48.11
COCCOCCOCCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630680	0	44	-1.0	-51.68	362.77	0.55	-51.13
CC(COC1CCCC1)CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630681	0	46	-1.0	-48.92	355.11	4.54	-44.38
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630682	0	37	-1.0	-46.25	317.18	3.23	-43.02
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007630683	0	38	-1.0	-48.24	310.44	0.96	-47.28
COC1=CC(Br)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630684	0	34	-1.0	-49.60	300.82	2.97	-46.63
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007630685	0	34	-1.0	-53.26	292.20	3.29	-49.97
COC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007630686	0	36	-1.0	-43.38	304.13	3.68	-39.70
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630687	0	36	-1.0	-47.50	294.29	4.37	-43.13
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630688	0	36	-1.0	-53.44	294.00	4.36	-49.08
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1C(F)(F)F	REAL300007630689	0	36	-1.0	-45.61	304.44	4.53	-41.08
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630690	0	39	-1.0	-53.29	303.71	5.03	-48.26
O=C([O-])C1COCCN1S(=O)(=O)CCCN1CCOCC1	REAL300007630691	0	42	-1.0	-50.43	327.97	0.21	-50.22
CCOC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630692	0	37	-1.0	-56.12	301.37	3.27	-52.85
COCCN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300007630693	0	37	-1.0	-54.22	312.10	0.81	-53.41
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007630694	0	37	-1.0	-57.94	316.56	3.78	-54.16
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007630695	0	38	-1.0	-49.31	327.77	5.40	-43.91
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007630696	0	35	-1.0	-55.61	290.40	3.32	-52.29
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007630697	0	33	-1.0	-52.60	299.39	4.58	-48.02
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300007630698	0	33	-1.0	-50.19	294.82	4.51	-45.68
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007630699	0	37	-1.0	-74.52	314.70	0.91	-73.61
CC1=CC(Br)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630700	0	33	-1.0	-47.44	291.33	4.20	-43.24
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630701	0	33	-1.0	-47.58	273.31	3.92	-43.66
COCC1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630702	0	37	-1.0	-51.63	297.33	3.08	-48.55
COC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Br	REAL300007630703	0	34	-1.0	-45.92	299.92	2.99	-42.93
COC1=CC(OC)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300007630704	0	38	-1.0	-55.57	321.71	2.82	-52.75
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007630705	0	33	-1.0	-57.67	296.30	2.26	-55.41
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007630706	0	33	-1.0	-54.32	291.41	2.05	-52.27
CC1(C)CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C2O1	REAL300007630707	0	41	-1.0	-51.17	327.50	4.28	-46.89
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007630708	0	33	-1.0	-45.13	288.46	2.11	-43.02
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630709	0	41	-1.0	-52.05	328.76	1.50	-50.55
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630710	0	42	-1.0	-54.90	353.74	2.25	-52.65
CSC1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630711	0	34	-1.0	-53.65	277.52	3.58	-50.07
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300007630712	0	38	-1.0	-46.48	327.91	-0.31	-46.79
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630713	0	44	-1.0	-51.75	369.22	0.83	-50.92
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630714	0	41	-1.0	-70.74	334.11	2.56	-68.18
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300007630715	0	41	-1.0	-45.82	349.37	0.58	-45.24
CCC1=CC=C(CS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630716	0	39	-1.0	-52.41	320.94	5.40	-47.01
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=CS1	REAL300007630717	0	33	-1.0	-48.61	289.77	3.82	-44.79
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007630718	0	45	-1.0	-45.25	363.77	3.45	-41.80
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007630719	0	42	-1.0	-60.99	342.82	2.53	-58.46
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630720	0	39	-1.0	-57.58	332.36	1.49	-56.09
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630721	0	40	-1.0	-66.78	336.74	0.47	-66.31
CC1=CC=C(CS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300007630722	0	39	-1.0	-53.51	316.51	5.17	-48.34
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Br	REAL300007630723	0	37	-1.0	-51.10	321.78	3.91	-47.19
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007630724	0	44	-1.0	-50.12	358.17	6.09	-44.03
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007630725	0	34	-1.0	-52.04	302.50	3.74	-48.30
COC1=CC=C(Br)C(CS(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630726	0	37	-1.0	-53.90	324.31	3.82	-50.08
CC1(C)CN(S(=O)(=O)N2CCOCC2C(=O)[O-])CCO1	REAL300007630727	0	39	-1.0	-48.58	297.90	1.46	-47.12
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2S1	REAL300007630728	0	44	-1.0	-49.47	361.62	4.88	-44.59
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630729	0	37	-1.0	-54.72	315.54	4.13	-50.59
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300007630730	0	42	-1.0	-49.04	339.31	4.46	-44.58
CCS(=O)(=O)NCCS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630731	0	37	-1.0	-50.34	318.14	-2.02	-52.36
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007630732	0	36	-1.0	-50.52	311.55	4.70	-45.82
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007630733	0	33	-1.0	-48.55	307.43	5.22	-43.33
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007630734	0	36	-1.0	-52.94	323.47	6.35	-46.59
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007630735	0	33	-1.0	-47.09	298.27	4.67	-42.42
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007630736	0	36	-1.0	-51.51	301.92	5.46	-46.05
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007630737	0	36	-1.0	-50.55	311.02	4.82	-45.73
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007630738	0	41	-1.0	-51.25	335.44	4.57	-46.68
O=C([O-])C1COCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007630739	0	44	-1.0	-53.75	362.03	6.43	-47.32
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630740	0	43	-1.0	-51.77	356.57	4.56	-47.21
O=C([O-])C1COCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007630741	0	41	-1.0	-51.39	354.29	0.29	-51.10
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007630742	0	39	-1.0	-53.76	327.97	6.56	-47.20
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1N(C)C	REAL300007630743	0	41	-1.0	-48.91	324.65	3.68	-45.23
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007630744	0	36	-1.0	-48.95	315.69	5.17	-43.78
O=C([O-])C1COCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007630745	0	35	-1.0	-56.18	289.75	-0.09	-56.27
O=C([O-])C1COCCN1S(=O)(=O)CCOCC1CCCC1	REAL300007630746	0	43	-1.0	-48.65	339.03	3.70	-44.95
COC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300007630747	0	37	-1.0	-49.60	311.22	3.63	-45.97
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630748	0	39	-1.0	-65.48	338.77	1.47	-64.01
CSC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300007630749	0	34	-1.0	-51.36	305.17	4.51	-46.85
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630750	0	42	-1.0	-46.11	320.15	2.84	-43.27
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007630751	0	38	-1.0	-42.09	319.78	1.49	-40.60
CCC1=NOC2=NC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C12	REAL300007630752	0	37	-1.0	-44.53	313.72	0.97	-43.56
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007630753	0	41	-1.0	-45.41	346.69	2.87	-42.54
CN1N=CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CN=C21	REAL300007630754	0	35	-1.0	-44.77	293.00	2.06	-42.71
CCC1=CC(CC)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(CC)=C1	REAL300007630755	0	48	-1.0	-57.61	358.57	8.05	-49.56
O=C([O-])C1COCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007630756	0	37	-1.0	-55.00	301.36	3.01	-51.99
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007630757	0	36	-1.0	-44.56	318.71	1.14	-43.42
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007630758	0	39	-1.0	-56.55	316.23	6.76	-49.79
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1F	REAL300007630759	0	37	-1.0	-47.17	289.72	2.70	-44.47
CC1(CS(=O)(=O)N2CCOCC2C(=O)[O-])CCCCC1	REAL300007630760	0	42	-1.0	-49.64	304.20	4.69	-44.95
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007630761	0	39	-1.0	-54.24	311.94	4.39	-49.85
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007630763	0	38	-1.0	-50.89	321.45	4.44	-46.45
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630764	0	37	-1.0	-47.53	321.80	3.28	-44.25
CC1=CC=C(CS(=O)(=O)N2CCOCC2C(=O)[O-])C(F)=C1	REAL300007630765	0	36	-1.0	-57.24	302.56	4.59	-52.65
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007630767	0	30	-1.0	-46.01	284.38	3.48	-42.53
O=C([O-])C1COCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007630768	0	43	-1.0	-50.04	343.05	6.53	-43.51
CC(C)(C)C1=CC(CS(=O)(=O)N2CCOCC2C(=O)[O-])=NO1	REAL300007630769	0	41	-1.0	-49.67	336.23	3.97	-45.70
O=C([O-])C1COCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007630770	0	39	-1.0	-60.21	315.64	0.35	-59.86
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007630771	0	33	-1.0	-48.07	287.63	3.66	-44.41
CC1=C(CCS(=O)(=O)N2CCOCC2C(=O)[O-])SC=N1	REAL300007630772	0	35	-1.0	-49.41	303.52	2.47	-46.94
O=C([O-])C1COCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300007630773	0	40	-1.0	-51.89	303.08	4.62	-47.27
COC1=CC=C2C=C(S(=O)(=O)N3CCOCC3C(=O)[O-])CCC2=C1	REAL300007630774	0	42	-1.0	-51.08	337.55	4.81	-46.27
O=C([O-])C1COCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300007630775	0	43	-1.0	-51.46	311.69	5.19	-46.27
CC(C)(CCS(=O)(=O)N1CCOCC1C(=O)[O-])S(C)(=O)=O	REAL300007630776	0	41	-1.0	-68.42	327.54	0.34	-68.08
O=C([O-])C1COCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007630777	0	39	-1.0	-50.59	306.53	4.41	-46.18
O=C([O-])C1COCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007630778	0	37	-1.0	-47.94	302.90	5.22	-42.72
CCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007630779	0	38	-1.0	-56.73	312.39	4.74	-51.99
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007630780	0	30	-1.0	-48.43	268.94	3.76	-44.67
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007630781	0	30	-1.0	-48.32	273.51	3.86	-44.46
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007630782	0	32	-1.0	-44.11	278.22	3.69	-40.42
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007630783	0	36	-1.0	-53.25	296.01	5.31	-47.94
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007630784	0	32	-1.0	-57.74	278.25	3.73	-54.01
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630785	0	35	-1.0	-59.19	283.44	4.02	-55.17
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630786	0	34	-1.0	-52.76	281.70	2.54	-50.22
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007630787	0	32	-1.0	-63.31	269.38	4.43	-58.88
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630788	0	37	-1.0	-53.62	318.24	4.40	-49.22
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630789	0	37	-1.0	-52.57	303.55	3.46	-49.11
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1C	REAL300007630790	0	42	-1.0	-48.94	300.55	5.04	-43.90
CC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1	REAL300007630791	0	39	-1.0	-47.43	288.86	4.60	-42.83
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630792	0	45	-1.0	-53.73	334.66	5.64	-48.09
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007630793	0	33	-1.0	-53.63	291.15	4.37	-49.26
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007630794	0	33	-1.0	-53.87	277.16	4.27	-49.60
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007630795	0	30	-1.0	-50.29	266.76	3.56	-46.73
CC(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630796	0	35	-1.0	-46.74	292.76	3.51	-43.23
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007630797	0	36	-1.0	-59.80	305.55	3.78	-56.02
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630798	0	42	-1.0	-52.44	328.42	5.55	-46.89
CC(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630799	0	39	-1.0	-52.62	312.07	5.24	-47.38
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630800	0	41	-1.0	-54.30	348.54	1.19	-53.11
CCCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630801	0	39	-1.0	-50.30	314.46	5.25	-45.05
COC1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630802	0	34	-1.0	-54.70	276.20	2.95	-51.75
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Br	REAL300007630803	0	34	-1.0	-51.30	299.93	2.98	-48.32
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Br	REAL300007630804	0	33	-1.0	-46.68	289.52	4.21	-42.47
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2)=C1	REAL300007630805	0	44	-1.0	-47.46	358.82	6.36	-41.10
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007630806	0	34	-1.0	-46.59	298.19	3.03	-43.56
CC1=C(C)C(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1C	REAL300007630807	0	45	-1.0	-59.06	332.84	6.61	-52.45
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007630808	0	39	-1.0	-47.52	311.44	2.87	-44.65
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630809	0	46	-1.0	-56.49	352.21	5.27	-51.22
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007630810	0	35	-1.0	-60.16	295.16	4.44	-55.72
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630811	0	34	-1.0	-53.95	297.32	3.57	-50.38
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630812	0	48	-1.0	-47.59	343.66	6.25	-41.34
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007630813	0	33	-1.0	-47.77	290.58	4.31	-43.46
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007630814	0	40	-1.0	-54.50	314.76	5.85	-48.65
COC1=CC=C(OC)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630815	0	38	-1.0	-59.14	305.49	2.24	-56.90
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1OC	REAL300007630816	0	38	-1.0	-50.79	306.04	2.19	-48.60
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007630817	0	37	-1.0	-51.35	295.59	4.94	-46.41
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007630818	0	38	-1.0	-52.28	308.07	5.51	-46.77
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007630819	0	35	-1.0	-49.27	284.53	2.79	-46.48
CC(C)CCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630820	0	45	-1.0	-50.37	353.53	6.54	-43.83
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1OCC	REAL300007630821	0	44	-1.0	-47.32	351.05	3.98	-43.34
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630822	0	35	-1.0	-53.02	304.25	-2.01	-55.03
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007630823	0	38	-1.0	-41.00	309.82	4.54	-36.46
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1C	REAL300007630824	0	38	-1.0	-48.23	311.32	5.01	-43.22
CC1=CC2=CC=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=C2N=C1	REAL300007630825	0	38	-1.0	-57.69	309.19	4.76	-52.93
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007630826	0	36	-1.0	-60.38	298.81	3.74	-56.64
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630827	0	34	-1.0	-49.90	292.95	3.47	-46.43
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630828	0	35	-1.0	-56.43	304.27	-1.98	-58.41
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007630829	0	42	-1.0	-60.51	361.03	1.20	-59.31
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630830	0	38	-1.0	-47.75	317.89	4.64	-43.11
O=C([O-])C1COCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007630831	0	39	-1.0	-52.58	308.41	4.52	-48.06
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CN=C12	REAL300007630832	0	38	-1.0	-55.60	305.95	4.32	-51.28
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300007630833	0	38	-1.0	-63.16	308.47	5.68	-57.48
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630834	0	41	-1.0	-51.86	346.61	1.35	-50.51
O=C([O-])C1COCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007630835	0	42	-1.0	-69.11	337.55	2.54	-66.57
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630836	0	36	-1.0	-57.49	310.90	0.59	-56.90
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007630837	0	40	-1.0	-57.71	319.76	6.81	-50.90
CC1CC(C)CN(S(=O)(=O)N2CCOCC2C(=O)[O-])C1	REAL300007630838	0	41	-1.0	-50.12	311.89	3.51	-46.61
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007630839	0	36	-1.0	-57.93	290.70	5.38	-52.55
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007630840	0	40	-1.0	-52.02	324.21	6.43	-45.59
CC1=CC=C(F)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630841	0	33	-1.0	-54.38	261.62	3.42	-50.96
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=CC=C12	REAL300007630842	0	44	-1.0	-52.50	338.62	4.78	-47.72
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007630843	0	31	-1.0	-49.67	275.53	1.51	-48.16
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630844	0	34	-1.0	-54.15	292.77	3.47	-50.68
COC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630845	0	34	-1.0	-55.86	279.52	2.34	-53.52
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630846	0	45	-1.0	-50.82	340.47	5.82	-45.00
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300007630847	0	33	-1.0	-48.96	284.09	4.04	-44.92
CC(C)OC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630848	0	40	-1.0	-51.57	321.87	4.22	-47.35
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007630849	0	33	-1.0	-52.67	294.83	4.47	-48.20
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007630850	0	31	-1.0	-45.57	268.28	1.88	-43.69
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007630851	0	35	-1.0	-54.96	308.43	5.45	-49.51
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007630852	0	35	-1.0	-60.37	295.73	4.13	-56.24
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007630853	0	41	-1.0	-46.21	353.20	6.20	-40.01
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630854	0	36	-1.0	-46.84	304.44	3.62	-43.22
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300007630855	0	34	-1.0	-54.02	285.68	2.42	-51.60
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1F	REAL300007630856	0	33	-1.0	-51.49	275.34	3.64	-47.85
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007630857	0	41	-1.0	-45.57	354.18	6.24	-39.33
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2)C=C1	REAL300007630858	0	45	-1.0	-47.58	366.96	5.02	-42.56
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C(C)C)=C1	REAL300007630859	0	57	-1.0	-56.90	417.37	9.40	-47.50
CC(C)OC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C12	REAL300007630860	0	46	-1.0	-54.48	352.74	5.81	-48.67
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007630861	0	33	-1.0	-46.10	310.02	4.95	-41.15
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C12	REAL300007630862	0	40	-1.0	-57.11	318.97	4.74	-52.37
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630863	0	35	-1.0	-46.20	283.45	4.01	-42.19
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630864	0	35	-1.0	-50.45	288.45	4.32	-46.13
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630865	0	38	-1.0	-48.50	310.01	5.37	-43.13
CC(C)CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630866	0	42	-1.0	-50.36	331.19	5.72	-44.64
COCCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630867	0	40	-1.0	-50.16	326.64	3.54	-46.62
COCCN(CCOC)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630868	0	42	-1.0	-49.08	323.02	0.43	-48.65
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630869	0	33	-1.0	-52.53	271.97	3.87	-48.66
COC1=C(C)C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300007630870	0	40	-1.0	-49.45	322.89	3.95	-45.50
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630871	0	46	-1.0	-51.86	364.12	5.57	-46.29
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007630872	0	44	-1.0	-50.33	345.73	5.52	-44.81
CC(C)COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630873	0	43	-1.0	-52.12	345.16	4.96	-47.16
CCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630874	0	40	-1.0	-52.08	325.05	4.26	-47.82
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1Cl	REAL300007630875	0	34	-1.0	-51.57	295.49	2.89	-48.68
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007630876	0	34	-1.0	-49.49	305.25	3.17	-46.32
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300007630877	0	37	-1.0	-47.75	298.18	2.97	-44.78
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1OC(C)C	REAL300007630878	0	43	-1.0	-48.06	339.83	4.54	-43.52
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1	REAL300007630879	0	37	-1.0	-51.31	284.69	2.65	-48.66
COCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630880	0	41	-1.0	-50.20	335.00	2.53	-47.67
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300007630881	0	33	-1.0	-50.89	283.43	3.99	-46.90
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630882	0	33	-1.0	-48.40	276.52	3.97	-44.43
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1C	REAL300007630883	0	38	-1.0	-43.67	288.52	4.97	-38.70
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630884	0	39	-1.0	-65.06	315.96	0.89	-64.17
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007630885	0	42	-1.0	-53.43	360.86	1.16	-52.27
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630886	0	38	-1.0	-54.84	328.82	-0.60	-55.44
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630887	0	38	-1.0	-60.50	310.44	0.92	-59.58
CC1=NC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300007630888	0	32	-1.0	-50.15	279.44	1.48	-48.67
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007630889	0	33	-1.0	-50.73	281.48	4.15	-46.58
COC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1F	REAL300007630890	0	34	-1.0	-45.44	285.72	2.39	-43.05
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007630891	0	40	-1.0	-52.58	326.05	6.72	-45.86
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007630892	0	33	-1.0	-47.85	311.53	4.96	-42.89
CC1=NC(C2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])S2)=CS1	REAL300007630893	0	36	-1.0	-50.37	331.26	3.85	-46.52
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007630894	0	50	-1.0	-50.02	384.56	6.63	-43.39
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630895	0	38	-1.0	-61.03	317.10	4.79	-56.24
CNC(=O)C1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CN1C	REAL300007630896	0	38	-1.0	-52.88	317.08	0.89	-51.99
COC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1	REAL300007630897	0	40	-1.0	-46.13	296.93	3.22	-42.91
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007630898	0	41	-1.0	-53.02	334.26	7.14	-45.88
COC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C	REAL300007630899	0	40	-1.0	-51.98	315.28	3.83	-48.15
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007630900	0	38	-1.0	-55.57	301.06	4.59	-50.98
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007630901	0	35	-1.0	-51.62	280.38	3.17	-48.45
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCOCC1C(=O)[O-])=C2	REAL300007630902	0	43	-1.0	-61.92	352.64	7.18	-54.74
CCN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007630903	0	35	-1.0	-43.68	297.86	3.48	-40.20
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007630904	0	37	-1.0	-53.61	323.12	3.93	-49.68
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007630905	0	44	-1.0	-49.64	361.29	6.32	-43.32
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630906	0	38	-1.0	-65.42	313.11	4.32	-61.10
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007630907	0	40	-1.0	-56.75	338.32	4.76	-51.99
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007630908	0	33	-1.0	-74.09	278.25	2.23	-71.86
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630909	0	52	-1.0	-49.17	380.97	5.87	-43.30
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630910	0	38	-1.0	-53.74	326.13	-0.05	-53.79
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007630911	0	33	-1.0	-54.00	284.51	4.04	-49.96
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=CC=CC=C12	REAL300007630912	0	43	-1.0	-53.78	335.40	5.23	-48.55
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630913	0	40	-1.0	-55.44	318.44	4.47	-50.97
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007630914	0	35	-1.0	-65.59	298.41	3.22	-62.37
O=C([O-])C1COCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007630915	0	37	-1.0	-50.93	312.95	4.31	-46.62
CCOCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630916	0	44	-1.0	-50.13	356.86	3.49	-46.64
CCCCCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630917	0	46	-1.0	-51.98	368.05	5.83	-46.15
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007630918	0	40	-1.0	-54.04	306.01	5.61	-48.43
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007630919	0	36	-1.0	-49.10	304.10	4.90	-44.20
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007630920	0	34	-1.0	-46.49	308.60	4.70	-41.79
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007630921	0	35	-1.0	-46.61	284.58	2.23	-44.38
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007630922	0	38	-1.0	-58.03	317.95	4.49	-53.54
O=C([O-])C1COCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007630923	0	36	-1.0	-52.76	292.04	-0.61	-53.37
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007630924	0	35	-1.0	-45.70	298.25	3.19	-42.51
CCOC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C)=C1	REAL300007630925	0	40	-1.0	-50.78	309.83	3.54	-47.24
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630926	0	38	-1.0	-52.19	328.48	-0.52	-52.71
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007630927	0	34	-1.0	-53.11	285.79	3.22	-49.89
CSC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630928	0	34	-1.0	-52.60	292.40	4.26	-48.34
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007630929	0	36	-1.0	-53.86	316.84	4.97	-48.89
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630930	0	41	-1.0	-45.65	319.31	4.79	-40.86
CCN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])N=C1C	REAL300007630931	0	36	-1.0	-58.96	299.22	3.47	-55.49
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007630932	0	36	-1.0	-53.63	288.55	2.67	-50.96
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007630933	0	35	-1.0	-53.00	287.60	3.44	-49.56
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007630934	0	42	-1.0	-53.84	347.33	5.08	-48.76
CC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1C(F)(F)F	REAL300007630935	0	36	-1.0	-44.50	304.48	4.55	-39.95
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007630936	0	36	-1.0	-52.57	325.01	4.41	-48.16
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007630937	0	39	-1.0	-55.50	314.80	4.65	-50.85
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C12	REAL300007630938	0	38	-1.0	-45.37	314.97	2.66	-42.71
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630939	0	37	-1.0	-53.84	323.02	3.85	-49.99
COCC1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630940	0	37	-1.0	-54.26	305.12	2.77	-51.49
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=C2O1	REAL300007630941	0	41	-1.0	-55.11	328.26	4.40	-50.71
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007630942	0	33	-1.0	-50.26	291.59	4.42	-45.84
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007630943	0	42	-1.0	-72.10	348.44	1.81	-70.29
O=C([O-])C1COCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007630944	0	37	-1.0	-47.80	324.05	3.75	-44.05
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007630945	0	38	-1.0	-59.65	313.80	3.59	-56.06
O=C([O-])C1COCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007630946	0	33	-1.0	-49.87	299.64	4.68	-45.19
CC1CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C2O1	REAL300007630947	0	38	-1.0	-49.91	307.11	3.64	-46.27
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630948	0	42	-1.0	-57.71	315.59	6.88	-50.83
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630949	0	42	-1.0	-56.76	327.58	1.52	-55.24
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007630950	0	41	-1.0	-47.15	354.13	6.20	-40.95
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007630951	0	36	-1.0	-50.75	321.03	3.59	-47.16
O=C([O-])C1COCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007630952	0	36	-1.0	-52.43	335.33	4.86	-47.57
CC1=NC(C2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2)=CO1	REAL300007630953	0	39	-1.0	-50.96	326.41	2.08	-48.88
CN1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007630954	0	33	-1.0	-44.33	276.92	1.52	-42.81
O=C([O-])C1COCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007630955	0	33	-1.0	-58.57	283.26	4.28	-54.29
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007630956	0	33	-1.0	-46.45	276.06	1.70	-44.75
COC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300007630957	0	33	-1.0	-45.70	277.29	-0.26	-45.96
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2CCCN12	REAL300007630958	0	34	-1.0	-57.39	277.09	2.44	-54.95
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007630959	0	38	-1.0	-53.53	305.72	3.98	-49.55
O=C([O-])C1COCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007630960	0	37	-1.0	-51.19	296.41	4.98	-46.21
CC1=CC=C(N2C=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=N2)C=C1	REAL300007630961	0	40	-1.0	-55.28	334.31	4.99	-50.29
CC1CC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC(Cl)=C2O1	REAL300007630962	0	38	-1.0	-47.66	325.87	4.46	-43.20
CC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007630963	0	35	-1.0	-44.72	294.81	4.38	-40.34
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300007630964	0	41	-1.0	-54.08	340.12	3.94	-50.14
O=C([O-])C1COCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007630965	0	32	-1.0	-52.20	282.03	2.44	-49.76
CN(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630966	0	38	-1.0	-54.74	303.33	3.72	-51.02
CC1=CC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2C=C1	REAL300007630967	0	39	-1.0	-52.98	317.37	5.97	-47.01
COC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])SC=C1	REAL300007630968	0	31	-1.0	-53.46	272.83	2.34	-51.12
CN(C)C1=CC=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630969	0	38	-1.0	-51.99	301.59	3.46	-48.53
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007630970	0	35	-1.0	-54.70	286.66	2.99	-51.71
O=C([O-])C1COCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007630971	0	35	-1.0	-49.88	298.86	3.19	-46.69
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007630972	0	35	-1.0	-47.93	284.43	2.77	-45.16
O=C([O-])C1COCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007630973	0	36	-1.0	-48.50	316.28	5.25	-43.25
CN1CCCC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C21	REAL300007630974	0	42	-1.0	-51.79	324.56	3.56	-48.23
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007630975	0	32	-1.0	-43.76	287.96	2.57	-41.19
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630976	0	38	-1.0	-57.92	306.15	3.75	-54.17
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630977	0	38	-1.0	-42.63	303.06	4.52	-38.11
CC1=CC=C(C)C(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007630978	0	38	-1.0	-61.88	311.45	6.58	-55.30
CC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007630979	0	38	-1.0	-60.46	302.07	4.67	-55.79
COC1=CC=C(CCS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630980	0	40	-1.0	-50.50	329.06	4.03	-46.47
COC1=CN=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630981	0	33	-1.0	-50.26	274.66	0.50	-49.76
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300007630982	0	39	-1.0	-50.53	324.82	4.93	-45.60
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007630983	0	37	-1.0	-52.88	301.07	5.42	-47.46
COC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC(OC)=C1	REAL300007630984	0	38	-1.0	-54.06	309.04	1.66	-52.40
O=C([O-])C1COCCN1S(=O)(=O)CCC1CCCCC1	REAL300007630985	0	42	-1.0	-49.29	320.33	4.90	-44.39
CC1=CC=C(CCS(=O)(=O)N2CCOCC2C(=O)[O-])C=C1	REAL300007630986	0	39	-1.0	-50.75	320.96	5.41	-45.34
CC1=CC2=C(C=C1S(=O)(=O)N1CCOCC1C(=O)[O-])OCO2	REAL300007630987	0	36	-1.0	-54.49	281.17	2.03	-52.46
O=C([O-])C1COCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007630988	0	33	-1.0	-54.03	279.21	3.43	-50.60
COC1=CC(S(=O)(=O)N2CCOCC2C(=O)[O-])=CC=C1Cl	REAL300007630989	0	34	-1.0	-45.70	295.49	2.90	-42.80
CN1C=NC2=CC(S(=O)(=O)N3CCOCC3C(=O)[O-])=CC=C21	REAL300007630990	0	36	-1.0	-52.50	296.87	4.28	-48.22
CC1=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007630991	0	38	-1.0	-72.10	308.38	5.11	-66.99
CC1=NC2=CC=C(S(=O)(=O)N3CCOCC3C(=O)[O-])C=C2O1	REAL300007630992	0	35	-1.0	-53.40	293.67	0.71	-52.69
CCC1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=C1CC	REAL300007630993	0	42	-1.0	-49.45	325.68	5.50	-43.95
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630994	0	38	-1.0	-42.21	301.75	5.01	-37.20
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630995	0	40	-1.0	-60.35	318.73	5.14	-55.21
CC1=C(C)SC(S(=O)(=O)N2CCOCC2C(=O)[O-])=C1	REAL300007630996	0	33	-1.0	-50.55	284.77	3.67	-46.88
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCOCC1C(=O)[O-]	REAL300007630997	0	31	-1.0	-46.62	272.17	0.86	-45.76
CCC1=NC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300007630998	0	32	-1.0	-50.67	281.61	1.75	-48.92
CN(C)C1=CC=C(S(=O)(=O)N2CCOCC2C(=O)[O-])C=N1	REAL300007630999	0	37	-1.0	-49.51	299.44	2.77	-46.74
CC1=CC(C)=C(S(=O)(=O)N2CCOCC2C(=O)[O-])S1	REAL300007631000	0	33	-1.0	-49.64	285.74	3.58	-46.06
COC1=CC=C(F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631891	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	REAL300007631892	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	REAL300007631893	0	43	-1.0	-58.36	360.59	1.04	-57.32
O=C([O-])CC1(NS(=O)(=O)N2CCC3(CCCCC3)CC2)CCC1	REAL300007631894	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	REAL300007631895	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	REAL300007631896	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	REAL300007631897	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	REAL300007631898	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	REAL300007631899	0	46	-1.0	-48.66	366.29	5.40	-43.26
CCCN1C=NC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300007631900	0	38	-1.0	-51.11	314.82	4.59	-46.52
CC(COC1CCCC1)CS(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631901	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	REAL300007631902	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	REAL300007631903	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	REAL300007631904	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	REAL300007631905	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-]	REAL300007631906	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	REAL300007631907	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	REAL300007631908	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	REAL300007631909	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	REAL300007631910	0	41	-1.0	-58.98	319.31	5.99	-52.99
CCOC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300007631911	0	39	-1.0	-44.91	319.11	4.25	-40.66
COCCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=N1	REAL300007631912	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	REAL300007631913	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	REAL300007631914	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	REAL300007631915	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	REAL300007631916	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	REAL300007631917	0	35	-1.0	-42.29	311.44	5.44	-36.85
O=C([O-])CC1(NS(=O)(=O)CC2=CC=CC=C2Br)CCC1	REAL300007631918	0	35	-1.0	-59.77	308.55	5.47	-54.30
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CCC1	REAL300007631919	0	39	-1.0	-55.94	332.41	1.91	-54.03
CC1=CC(Br)=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300007631920	0	35	-1.0	-54.84	310.93	5.39	-49.45
CC1=C(Br)C=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631921	0	35	-1.0	-53.74	302.40	5.49	-48.25
COCC1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631922	0	39	-1.0	-54.56	315.70	4.18	-50.38
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=CC=C1Br	REAL300007631923	0	36	-1.0	-52.81	318.14	4.09	-48.72
COC1=CC(OC)=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1Cl	REAL300007631924	0	40	-1.0	-42.32	340.18	3.61	-38.71
O=C([O-])CC1(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CCC1	REAL300007631925	0	35	-1.0	-43.15	311.87	2.98	-40.17
O=C([O-])CC1(NS(=O)(=O)C2=CN(CC(F)F)N=C2)CCC1	REAL300007631926	0	35	-1.0	-58.12	306.41	2.90	-55.22
CC1(C)CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CCC3)=CC=C2O1	REAL300007631927	0	43	-1.0	-47.45	345.24	5.29	-42.16
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CCC1	REAL300007631928	0	35	-1.0	-48.70	306.68	2.98	-45.72
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300007631929	0	44	-1.0	-54.28	371.47	3.24	-51.04
CSC1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631930	0	36	-1.0	-43.91	298.89	4.92	-38.99
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1F	REAL300007631931	0	40	-1.0	-42.89	346.21	0.78	-42.11
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631932	0	43	-1.0	-70.94	348.21	4.18	-66.76
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1F	REAL300007631933	0	43	-1.0	-42.30	367.67	1.70	-40.60
CCC1=CC=C(CS(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1	REAL300007631934	0	41	-1.0	-44.74	333.03	6.26	-38.48
O=C([O-])CC1(NS(=O)(=O)CCC2=CC=CS2)CCC1	REAL300007631935	0	35	-1.0	-58.60	303.73	4.80	-53.80
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CCC1	REAL300007631936	0	47	-1.0	-58.04	381.99	4.56	-53.48
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CCC1	REAL300007631937	0	44	-1.0	-58.12	358.54	4.09	-54.03
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300007631938	0	41	-1.0	-52.20	349.96	2.45	-49.75
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631939	0	42	-1.0	-52.02	355.35	1.26	-50.76
CC1=CC=C(CS(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C	REAL300007631940	0	41	-1.0	-45.99	327.48	6.06	-39.93
CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1Br	REAL300007631941	0	39	-1.0	-46.67	339.51	4.92	-41.75
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C=C1C1=CC=CC=C1	REAL300007631942	0	46	-1.0	-57.13	376.43	7.18	-49.95
O=C([O-])CC1(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CCC1	REAL300007631943	0	36	-1.0	-47.52	309.85	4.85	-42.67
COC1=CC=C(Br)C(CS(=O)(=O)NC2(CC(=O)[O-])CCC2)=C1	REAL300007631944	0	39	-1.0	-61.04	338.68	4.76	-56.28
CC1(C)CN(S(=O)(=O)NC2(CC(=O)[O-])CCC2)CCO1	REAL300007631945	0	41	-1.0	-43.52	313.11	2.48	-41.04
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CCC3)C=C2S1	REAL300007631946	0	46	-1.0	-48.31	380.79	5.97	-42.34
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631947	0	39	-1.0	-44.55	330.80	5.41	-39.14
CC(C)N1N=CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CCC3)=CC=C21	REAL300007631948	0	44	-1.0	-48.25	358.45	5.56	-42.69
CCS(=O)(=O)NCCS(=O)(=O)NC1(CC(=O)[O-])CCC1	REAL300007631949	0	39	-1.0	-63.94	332.03	-1.04	-64.98
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)OC2=CC=C(F)C=C12	REAL300007631950	0	38	-1.0	-46.64	320.90	5.26	-41.38
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CCC1	REAL300007631951	0	35	-1.0	-43.67	323.12	5.87	-37.80
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CCC2)C2=CC(Cl)=CC=C2S1	REAL300007631952	0	38	-1.0	-42.20	335.00	6.78	-35.42
O=C([O-])CC1(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CCC1	REAL300007631953	0	35	-1.0	-54.98	322.88	5.96	-49.02
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COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C(C)=C1F	REAL300007633683	0	39	-1.0	-45.11	326.20	4.34	-40.77
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CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633712	0	39	-1.0	-54.53	322.79	5.03	-49.50
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CC(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633719	0	37	-1.0	-57.58	311.91	5.20	-52.38
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007633720	0	38	-1.0	-54.06	326.95	5.55	-48.51
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633721	0	44	-1.0	-54.62	347.65	7.13	-47.49
CC(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633722	0	41	-1.0	-54.79	331.66	6.72	-48.07
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633723	0	43	-1.0	-56.05	366.99	2.81	-53.24
CCCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633724	0	41	-1.0	-54.92	335.83	7.03	-47.89
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1Br	REAL300007633725	0	36	-1.0	-52.67	321.36	4.77	-47.90
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=CC=C1Br	REAL300007633726	0	35	-1.0	-51.78	310.93	5.99	-45.79
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(CC(=O)[O-])C3CC3)C=C2)=C1	REAL300007633727	0	46	-1.0	-54.45	382.80	8.36	-46.09
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CC1=C(C)C(C)=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C(C)=C1C	REAL300007633729	0	47	-1.0	-53.76	352.33	7.41	-46.35
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COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633731	0	48	-1.0	-44.55	382.56	6.77	-37.78
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007633732	0	37	-1.0	-59.36	315.82	5.94	-53.42
COC1=CC=C(Br)C=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633733	0	36	-1.0	-41.16	327.69	5.08	-36.08
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633734	0	50	-1.0	-42.84	378.97	8.02	-34.82
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COC1=CC=C(OC)C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300007633737	0	40	-1.0	-44.82	335.87	3.73	-41.09
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1OC	REAL300007633738	0	40	-1.0	-55.60	330.17	4.01	-51.59
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CC(C)CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633742	0	47	-1.0	-54.77	374.90	8.31	-46.46
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1OCC	REAL300007633743	0	46	-1.0	-55.55	374.32	5.88	-49.67
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1	REAL300007633744	0	37	-1.0	-57.50	325.62	-0.23	-57.73
CC1=CC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=CC([N+](=O)[O-])=C1C	REAL300007633745	0	40	-1.0	-52.74	333.40	6.54	-46.20
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1C	REAL300007633746	0	40	-1.0	-37.94	337.12	6.23	-31.71
CC1=CC2=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C3CC3)=C2N=C1	REAL300007633747	0	40	-1.0	-50.06	339.39	5.55	-44.51
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C([N+](=O)[O-])=C1	REAL300007633748	0	38	-1.0	-50.49	323.19	5.00	-45.49
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633749	0	36	-1.0	-41.53	323.10	4.97	-36.56
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300007633750	0	37	-1.0	-58.20	326.10	-0.20	-58.40
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CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633752	0	40	-1.0	-44.73	340.62	6.00	-38.73
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CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C2=CC=CN=C12	REAL300007633754	0	40	-1.0	-45.64	333.86	5.41	-40.23
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1C	REAL300007633755	0	40	-1.0	-50.57	332.70	6.96	-43.61
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300007633756	0	43	-1.0	-57.21	368.12	2.84	-54.37
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CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1	REAL300007633758	0	38	-1.0	-60.04	332.56	2.37	-57.67
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CC1CC(C)CN(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C1	REAL300007633760	0	43	-1.0	-54.49	327.74	4.25	-50.24
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COC1=NC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633976	0	35	-1.0	-56.54	289.56	2.15	-54.39
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633977	0	48	-1.0	-54.42	391.93	7.09	-47.33
O=C([O-])CC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C1CC1	REAL300007633978	0	37	-1.0	-47.94	313.78	4.61	-43.33
CC1=CSC(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633979	0	35	-1.0	-51.11	298.08	4.91	-46.20
O=C([O-])CC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C1CC1	REAL300007633980	0	39	-1.0	-55.30	322.15	4.46	-50.84
O=C([O-])CC(NS(=O)(=O)C1=CC=NN1C1CCC1)C1CC1	REAL300007633981	0	39	-1.0	-43.11	317.00	3.93	-39.18
O=C([O-])CC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C1CC1	REAL300007633982	0	42	-1.0	-42.85	344.59	4.74	-38.11
CC1(C)COC2=C(S(=O)(=O)NC(CC(=O)[O-])C3CC3)C=NN2C1	REAL300007633983	0	43	-1.0	-47.80	347.55	2.29	-45.51
O=C([O-])CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C1CC1	REAL300007633984	0	38	-1.0	-46.51	347.84	5.19	-41.32
O=C([O-])CC(NS(=O)(=O)C1=CN=C2CCCCN12)C1CC1	REAL300007633985	0	39	-1.0	-50.22	314.65	3.95	-46.27
CCCCCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300007633986	0	57	-1.0	-53.43	445.89	9.42	-44.01
COC1=CC(C(C)C)=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1C	REAL300007633987	0	48	-1.0	-41.79	377.47	6.09	-35.70
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633988	0	42	-1.0	-41.36	352.47	6.09	-35.27
CCOCCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C=C1C(C)C	REAL300007633989	0	55	-1.0	-56.66	437.77	7.27	-49.39
CC1CC2=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C3CC3)=C2O1	REAL300007633990	0	40	-1.0	-47.92	335.54	5.18	-42.74
CC(C)(C)C1=NC=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)S1	REAL300007633991	0	40	-1.0	-44.37	349.69	3.95	-40.42
O=C([O-])CC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C1CC1	REAL300007633992	0	38	-1.0	-57.60	328.60	4.83	-52.77
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633993	0	37	-1.0	-62.78	318.89	3.91	-58.87
O=C([O-])CC(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C1CC1	REAL300007633994	0	41	-1.0	-42.32	323.08	4.58	-37.74
O=C([O-])CC(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12)C1CC1	REAL300007633995	0	36	-1.0	-45.38	332.99	4.72	-40.66
O=C([O-])CC(NS(=O)(=O)C1=CC2=NON=C2C=C1)C1CC1	REAL300007633996	0	33	-1.0	-50.25	286.38	3.58	-46.67
O=C([O-])CC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C1CC1	REAL300007633997	0	35	-1.0	-56.31	310.03	6.23	-50.08
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(CC(=O)[O-])C1CC1	REAL300007633998	0	39	-1.0	-49.86	330.45	3.99	-45.87
CC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C2CC2)C(C)=C1F	REAL300007633999	0	41	-1.0	-50.47	329.67	6.46	-44.01
COC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2CC2)=C1OC	REAL300007634000	0	40	-1.0	-55.73	335.27	4.11	-51.62
COC1=CC=C(F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634201	0	38	-1.0	-52.18	326.83	4.44	-47.74
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634202	0	45	-1.0	-54.91	390.09	4.63	-50.28
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C	REAL300007634203	0	45	-1.0	-56.03	391.78	1.50	-54.53
O=C([O-])CCCCCNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007634204	0	52	-1.0	-49.51	387.05	6.21	-43.30
CC1=NC2=C(S(=O)(=O)NCCCCCC(=O)[O-])C=CC=C2C=C1	REAL300007634205	0	42	-1.0	-55.67	353.14	6.22	-49.45
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007634206	0	42	-1.0	-58.58	364.84	6.44	-52.14
O=C([O-])CCCCCNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007634207	0	45	-1.0	-52.78	377.07	3.09	-49.69
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634208	0	48	-1.0	-53.78	414.18	5.68	-48.10
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634209	0	48	-1.0	-52.87	407.57	5.75	-47.12
CCCN1C=NC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634210	0	40	-1.0	-55.45	347.23	5.29	-50.16
CC(COC1CCCC1)CS(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634211	0	50	-1.0	-52.78	400.73	5.91	-46.87
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634212	0	41	-1.0	-50.51	368.14	4.85	-45.66
O=C([O-])CCCCCNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007634213	0	42	-1.0	-52.66	357.95	2.29	-50.37
COC1=CC(Br)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634214	0	38	-1.0	-50.32	350.71	4.47	-45.85
O=C([O-])CCCCCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007634215	0	38	-1.0	-51.49	336.59	4.71	-46.78
COC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007634216	0	40	-1.0	-53.75	355.44	5.29	-48.46
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634217	0	40	-1.0	-49.42	353.35	6.43	-42.99
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634218	0	40	-1.0	-50.92	354.54	6.36	-44.56
CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1C(F)(F)F	REAL300007634219	0	40	-1.0	-49.77	354.35	6.06	-43.71
CC(C)C1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634220	0	43	-1.0	-50.61	353.86	6.64	-43.97
CCOC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634221	0	41	-1.0	-52.11	351.28	4.77	-47.34
COCCN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C=N1	REAL300007634222	0	41	-1.0	-53.18	359.66	2.16	-51.02
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007634223	0	41	-1.0	-55.50	364.29	5.09	-50.41
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007634224	0	42	-1.0	-57.34	373.39	6.72	-50.62
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007634225	0	39	-1.0	-53.49	341.10	4.91	-48.58
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007634226	0	37	-1.0	-53.78	344.97	5.87	-47.91
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300007634227	0	37	-1.0	-52.98	340.45	5.83	-47.15
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007634228	0	41	-1.0	-63.63	364.54	2.41	-61.22
CC1=CC(Br)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634229	0	37	-1.0	-49.88	342.63	5.83	-44.05
CC1=C(Br)C=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634230	0	37	-1.0	-49.76	333.36	5.84	-43.92
COCC1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634231	0	41	-1.0	-50.52	346.45	4.66	-45.86
COC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1Br	REAL300007634232	0	38	-1.0	-50.50	349.84	4.52	-45.98
COC1=CC(OC)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Cl	REAL300007634233	0	42	-1.0	-52.73	365.94	4.24	-48.49
O=C([O-])CCCCCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007634234	0	37	-1.0	-56.08	343.87	3.60	-52.48
O=C([O-])CCCCCNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007634235	0	37	-1.0	-55.71	337.84	3.43	-52.28
CC1(C)CC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C2O1	REAL300007634236	0	45	-1.0	-51.28	377.38	5.79	-45.49
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007634237	0	37	-1.0	-53.34	333.90	3.53	-49.81
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634238	0	46	-1.0	-57.12	403.58	3.76	-53.36
CSC1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634239	0	38	-1.0	-52.09	324.19	4.71	-47.38
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300007634240	0	42	-1.0	-56.00	378.88	1.32	-54.68
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634241	0	45	-1.0	-60.84	379.89	4.55	-56.29
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300007634242	0	45	-1.0	-55.07	400.34	2.21	-52.86
CCC1=CC=C(CS(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634243	0	43	-1.0	-53.33	366.56	6.70	-46.63
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=CS1	REAL300007634244	0	37	-1.0	-52.28	335.40	5.14	-47.14
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007634245	0	49	-1.0	-54.16	413.67	4.98	-49.18
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007634246	0	46	-1.0	-56.24	372.64	3.39	-52.85
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634247	0	43	-1.0	-58.37	382.08	2.96	-55.41
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634248	0	44	-1.0	-60.32	381.13	1.89	-58.43
CC1=CC=C(CS(=O)(=O)NCCCCCC(=O)[O-])C=C1C	REAL300007634249	0	43	-1.0	-53.77	362.09	6.46	-47.31
CCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Br	REAL300007634250	0	41	-1.0	-51.32	371.68	5.44	-45.88
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007634251	0	48	-1.0	-52.44	408.09	7.61	-44.83
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007634252	0	38	-1.0	-51.22	346.91	5.16	-46.06
COC1=CC=C(Br)C(CS(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634253	0	41	-1.0	-53.63	369.86	5.12	-48.51
CC1(C)CN(S(=O)(=O)NCCCCCC(=O)[O-])CCO1	REAL300007634254	0	43	-1.0	-49.86	346.12	2.74	-47.12
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2S1	REAL300007634255	0	48	-1.0	-51.80	412.92	6.49	-45.31
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634256	0	41	-1.0	-51.79	359.89	5.55	-46.24
CC(C)N1N=CC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C21	REAL300007634257	0	46	-1.0	-53.04	390.63	6.07	-46.97
CCS(=O)(=O)NCCS(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634258	0	41	-1.0	-60.36	363.76	-0.71	-61.07
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007634259	0	40	-1.0	-51.38	353.68	5.81	-45.57
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007634260	0	37	-1.0	-50.23	355.55	6.48	-43.75
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007634261	0	40	-1.0	-50.54	363.75	7.28	-43.26
O=C([O-])CCCCCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007634262	0	37	-1.0	-50.76	342.67	5.94	-44.82
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007634263	0	40	-1.0	-53.51	357.60	7.41	-46.10
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007634264	0	40	-1.0	-52.44	360.93	6.34	-46.10
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007634265	0	45	-1.0	-54.63	381.06	5.88	-48.75
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007634266	0	48	-1.0	-51.33	406.80	7.92	-43.41
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634267	0	47	-1.0	-57.11	407.33	6.11	-51.00
O=C([O-])CCCCCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007634268	0	45	-1.0	-59.49	399.92	1.61	-57.88
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007634269	0	43	-1.0	-50.62	370.98	7.53	-43.09
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1N(C)C	REAL300007634270	0	45	-1.0	-50.53	374.52	5.20	-45.33
O=C([O-])CCCCCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007634271	0	40	-1.0	-52.62	361.36	6.48	-46.14
O=C([O-])CCCCCNS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007634272	0	39	-1.0	-54.43	332.77	1.48	-52.95
O=C([O-])CCCCCNS(=O)(=O)CCOCC1CCCC1	REAL300007634273	0	47	-1.0	-51.49	384.66	5.00	-46.49
COC1=CC(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Cl	REAL300007634274	0	41	-1.0	-51.65	360.98	5.18	-46.47
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634275	0	43	-1.0	-63.94	384.36	2.77	-61.17
CSC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Cl	REAL300007634276	0	38	-1.0	-51.16	355.13	6.02	-45.14
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634277	0	46	-1.0	-51.93	373.74	5.02	-46.91
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007634278	0	42	-1.0	-54.84	371.07	3.10	-51.74
CCC1=NOC2=NC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C12	REAL300007634279	0	41	-1.0	-54.78	361.15	2.26	-52.52
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007634280	0	45	-1.0	-53.80	396.44	4.37	-49.43
CN1N=CC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CN=C21	REAL300007634281	0	39	-1.0	-53.86	344.26	3.67	-50.19
CCC1=CC(CC)=C(S(=O)(=O)NCCCCCC(=O)[O-])C(CC)=C1	REAL300007634282	0	52	-1.0	-48.90	399.88	9.28	-39.62
O=C([O-])CCCCCNS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007634283	0	41	-1.0	-56.38	345.69	4.57	-51.81
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007634284	0	40	-1.0	-51.22	368.53	2.63	-48.59
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007634285	0	43	-1.0	-58.32	366.41	8.31	-50.01
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=C1F	REAL300007634286	0	41	-1.0	-51.92	349.11	4.78	-47.14
CC1(CS(=O)(=O)NCCCCCC(=O)[O-])CCCCC1	REAL300007634287	0	46	-1.0	-51.15	349.75	6.06	-45.09
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007634288	0	43	-1.0	-51.87	361.96	5.97	-45.90
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007634290	0	42	-1.0	-52.57	369.36	5.81	-46.76
COCC1=CC(Cl)=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634291	0	41	-1.0	-50.94	371.71	4.78	-46.16
CC1=CC=C(CS(=O)(=O)NCCCCCC(=O)[O-])C(F)=C1	REAL300007634292	0	40	-1.0	-54.54	350.40	5.97	-48.57
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007634294	0	34	-1.0	-49.57	332.48	4.74	-44.83
O=C([O-])CCCCCNS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007634295	0	47	-1.0	-53.94	388.66	7.84	-46.10
CC(C)(C)C1=CC(CS(=O)(=O)NCCCCCC(=O)[O-])=NO1	REAL300007634296	0	45	-1.0	-55.65	381.79	5.26	-50.39
O=C([O-])CCCCCNS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007634297	0	43	-1.0	-61.68	361.05	1.72	-59.96
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007634298	0	37	-1.0	-51.47	336.09	5.00	-46.47
CC1=C(CCS(=O)(=O)NCCCCCC(=O)[O-])SC=N1	REAL300007634299	0	39	-1.0	-53.68	348.69	3.77	-49.91
O=C([O-])CCCCCNS(=O)(=O)CC12CCC(CC1)C2	REAL300007634300	0	44	-1.0	-51.64	344.58	6.00	-45.64
COC1=CC=C2C=C(S(=O)(=O)NCCCCCC(=O)[O-])CCC2=C1	REAL300007634301	0	46	-1.0	-51.83	383.84	6.24	-45.59
CC(C)(CCS(=O)(=O)NCCCCCC(=O)[O-])S(C)(=O)=O	REAL300007634302	0	45	-1.0	-60.80	373.16	1.66	-59.14
O=C([O-])CCCCCNS(=O)(=O)CC1CCCCC1(F)F	REAL300007634303	0	43	-1.0	-51.31	352.96	5.69	-45.62
O=C([O-])CCCCCNS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007634304	0	41	-1.0	-52.18	350.59	6.67	-45.51
CCC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007634305	0	42	-1.0	-54.08	362.37	6.37	-47.71
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007634306	0	34	-1.0	-49.53	316.63	5.06	-44.47
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007634307	0	34	-1.0	-49.47	321.20	5.17	-44.30
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007634308	0	36	-1.0	-51.71	328.14	5.22	-46.49
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007634309	0	40	-1.0	-51.83	345.87	6.82	-45.01
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007634310	0	36	-1.0	-54.24	328.14	5.22	-49.02
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634311	0	39	-1.0	-54.10	342.87	6.11	-47.99
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634312	0	38	-1.0	-51.11	329.41	3.84	-47.27
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007634313	0	36	-1.0	-56.68	317.32	6.03	-50.65
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634314	0	41	-1.0	-51.30	363.58	5.92	-45.38
CCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634315	0	41	-1.0	-50.94	351.26	4.77	-46.17
CC1=CC(C)=C(C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1C	REAL300007634316	0	46	-1.0	-49.47	360.49	7.11	-42.36
CC1=CC(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=C1	REAL300007634317	0	43	-1.0	-49.24	348.00	6.71	-42.53
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634318	0	49	-1.0	-50.36	390.86	7.76	-42.60
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007634319	0	37	-1.0	-51.08	338.99	5.55	-45.53
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007634320	0	37	-1.0	-52.23	324.86	6.11	-46.12
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007634321	0	34	-1.0	-50.42	316.66	5.05	-45.37
CC(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634322	0	39	-1.0	-54.06	341.15	4.96	-49.10
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007634323	0	40	-1.0	-56.52	355.43	5.29	-51.23
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634324	0	46	-1.0	-50.14	376.12	6.87	-43.27
CC(C)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634325	0	43	-1.0	-50.25	360.14	6.47	-43.78
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634326	0	45	-1.0	-55.29	395.48	2.55	-52.74
CCCC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634327	0	43	-1.0	-50.26	364.31	6.77	-43.49
COC1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634328	0	38	-1.0	-52.53	320.44	4.37	-48.16
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Br	REAL300007634329	0	38	-1.0	-51.61	349.83	4.52	-47.09
CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1Br	REAL300007634330	0	37	-1.0	-49.53	339.42	5.73	-43.80
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2)=C1	REAL300007634331	0	48	-1.0	-51.42	410.03	8.06	-43.36
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007634332	0	38	-1.0	-49.67	345.90	4.34	-45.33
CC1=C(C)C(C)=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=C1C	REAL300007634333	0	49	-1.0	-50.12	369.58	7.40	-42.72
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007634334	0	43	-1.0	-52.67	362.75	4.48	-48.19
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634335	0	50	-1.0	-52.15	396.65	6.70	-45.45
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007634336	0	39	-1.0	-54.10	344.14	5.74	-48.36
COC1=CC=C(Br)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634337	0	38	-1.0	-51.65	341.73	4.99	-46.66
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634338	0	52	-1.0	-49.15	402.24	8.35	-40.80
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007634339	0	37	-1.0	-49.94	338.66	5.54	-44.40
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007634340	0	44	-1.0	-50.53	362.63	7.04	-43.49
COC1=CC=C(OC)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634341	0	42	-1.0	-53.85	349.90	3.65	-50.20
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1OC	REAL300007634342	0	42	-1.0	-52.86	358.65	3.75	-49.11
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007634343	0	41	-1.0	-50.82	345.47	6.45	-44.37
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007634344	0	42	-1.0	-50.86	354.39	6.95	-43.91
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007634345	0	39	-1.0	-51.68	335.83	4.41	-47.27
CC(C)CCC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634346	0	49	-1.0	-50.14	403.37	8.05	-42.09
CCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1OCC	REAL300007634347	0	48	-1.0	-52.54	402.36	5.59	-46.95
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634348	0	39	-1.0	-56.78	354.10	-0.49	-57.27
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1C	REAL300007634349	0	42	-1.0	-53.41	359.78	6.64	-46.77
CC1=CC2=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C2N=C1	REAL300007634350	0	42	-1.0	-55.18	353.48	6.30	-48.88
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007634351	0	40	-1.0	-55.09	346.78	5.33	-49.76
COC1=CC(Cl)=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634352	0	38	-1.0	-50.61	337.16	4.89	-45.72
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634353	0	39	-1.0	-57.39	354.15	-0.50	-57.89
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007634354	0	46	-1.0	-56.65	408.94	2.38	-54.27
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634355	0	42	-1.0	-52.29	367.70	6.11	-46.18
O=C([O-])CCCCCNS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007634356	0	43	-1.0	-50.26	352.56	5.68	-44.58
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC=CN=C12	REAL300007634357	0	42	-1.0	-52.85	356.16	5.83	-47.02
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C	REAL300007634358	0	42	-1.0	-55.04	356.43	7.25	-47.79
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634359	0	45	-1.0	-56.25	395.52	2.54	-53.71
O=C([O-])CCCCCNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007634360	0	46	-1.0	-59.96	385.86	3.89	-56.07
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634361	0	40	-1.0	-58.83	360.61	2.07	-56.76
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007634362	0	44	-1.0	-49.94	354.91	7.62	-42.32
CC1CC(C)CN(S(=O)(=O)NCCCCCC(=O)[O-])C1	REAL300007634363	0	45	-1.0	-49.21	349.06	4.82	-44.39
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007634364	0	40	-1.0	-52.60	340.96	6.90	-45.70
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007634365	0	44	-1.0	-51.72	374.10	7.96	-43.76
CC1=CC=C(F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634366	0	37	-1.0	-50.81	321.88	5.41	-45.40
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCCCCC(=O)[O-])C=CC=C12	REAL300007634367	0	48	-1.0	-51.41	394.33	6.75	-44.66
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007634368	0	35	-1.0	-54.15	318.26	2.93	-51.22
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634369	0	38	-1.0	-51.72	337.16	4.89	-46.83
COC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634370	0	38	-1.0	-52.21	329.42	3.84	-48.37
CCC(C)(C)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634371	0	49	-1.0	-50.06	390.35	7.34	-42.72
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Cl	REAL300007634372	0	37	-1.0	-50.37	335.39	5.65	-44.72
CC(C)OC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634373	0	44	-1.0	-50.78	369.20	5.39	-45.39
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=NON=C21	REAL300007634374	0	35	-1.0	-54.99	310.75	3.26	-51.73
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007634375	0	39	-1.0	-53.03	356.18	7.02	-46.01
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007634376	0	39	-1.0	-55.58	332.13	5.66	-49.92
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007634377	0	45	-1.0	-52.66	405.41	7.94	-44.72
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634378	0	40	-1.0	-51.60	348.66	5.04	-46.56
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300007634379	0	38	-1.0	-52.51	335.63	3.92	-48.59
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1F	REAL300007634380	0	37	-1.0	-50.89	326.64	5.25	-45.64
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007634381	0	45	-1.0	-50.71	405.32	7.91	-42.80
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C2)C=C1	REAL300007634382	0	49	-1.0	-51.93	418.12	6.68	-45.25
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C(C)C)=C1	REAL300007634383	0	61	-1.0	-48.66	458.18	10.39	-38.27
CC(C)OC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC=CC=C12	REAL300007634384	0	50	-1.0	-52.11	409.01	7.80	-44.31
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007634385	0	37	-1.0	-53.93	355.59	6.23	-47.70
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC=CC=C12	REAL300007634386	0	44	-1.0	-52.61	369.29	6.25	-46.36
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634387	0	39	-1.0	-50.83	342.84	6.10	-44.73
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634388	0	39	-1.0	-52.68	337.98	5.85	-46.83
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634389	0	42	-1.0	-53.60	359.82	6.99	-46.61
CC(C)CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634390	0	46	-1.0	-50.21	381.07	7.23	-42.98
COCCC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634391	0	44	-1.0	-51.18	376.48	5.06	-46.12
COCCN(CCOC)S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634392	0	46	-1.0	-49.84	373.67	1.75	-48.09
CC1=CC=C(Cl)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634393	0	37	-1.0	-50.24	332.20	5.86	-44.38
COC1=C(C)C=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C	REAL300007634394	0	44	-1.0	-50.81	373.49	5.43	-45.38
CC(C)CCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634395	0	50	-1.0	-50.55	411.84	6.87	-43.68
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007634396	0	48	-1.0	-50.45	394.56	6.77	-43.68
CC(C)COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634397	0	47	-1.0	-50.70	392.88	6.27	-44.43
CCCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634398	0	44	-1.0	-50.75	372.78	5.57	-45.18
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1Cl	REAL300007634399	0	38	-1.0	-51.66	345.44	4.40	-47.26
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007634400	0	38	-1.0	-52.07	355.20	4.67	-47.40
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C	REAL300007634401	0	41	-1.0	-51.27	349.49	4.59	-46.68
CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1OC(C)C	REAL300007634402	0	47	-1.0	-50.89	389.28	6.14	-44.75
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=C1	REAL300007634403	0	41	-1.0	-50.93	344.07	4.75	-46.18
COCCOC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634404	0	45	-1.0	-53.22	384.90	4.04	-49.18
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=CC=C1F	REAL300007634405	0	37	-1.0	-54.72	328.98	5.29	-49.43
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COC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1Cl	REAL300007634501	0	38	-1.0	-50.50	345.45	4.40	-46.10
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007634502	0	42	-1.0	-57.00	348.32	6.07	-50.93
CCC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1CC	REAL300007634503	0	46	-1.0	-50.45	376.98	7.10	-43.35
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CC1(C)CCCN(S(=O)(=O)NCCCCCC(=O)[O-])C1	REAL300007634594	0	45	-1.0	-49.79	354.43	4.92	-44.87
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CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C2CCC2)=N1	REAL300007634596	0	44	-1.0	-53.03	356.19	4.29	-48.74
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634597	0	52	-1.0	-50.30	414.06	8.55	-41.75
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CC(C)(C)N1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C=N1	REAL300007634606	0	43	-1.0	-52.61	364.41	4.25	-48.36
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CC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC(C)=C1Br	REAL300007634633	0	40	-1.0	-49.64	357.61	6.29	-43.35
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=CC=CC=C12	REAL300007634634	0	43	-1.0	-52.71	358.65	7.43	-45.28
CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007634635	0	44	-1.0	-52.74	367.18	5.44	-47.30
O=C([O-])CCCCCNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007634636	0	38	-1.0	-51.67	338.22	5.79	-45.88
O=C([O-])CCCCCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007634637	0	38	-1.0	-51.22	353.11	6.34	-44.88
O=C([O-])CCCCCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007634638	0	38	-1.0	-51.17	353.11	6.35	-44.82
O=C([O-])CCCCCNS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007634639	0	39	-1.0	-61.24	343.11	-1.51	-62.75
O=C([O-])CCCCCNS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007634640	0	37	-1.0	-56.46	327.74	4.85	-51.61
O=C([O-])CCCCCNS(=O)(=O)C1CCC(F)(F)CC1	REAL300007634641	0	40	-1.0	-54.10	336.52	5.04	-49.06
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007634642	0	36	-1.0	-53.24	330.87	3.94	-49.30
O=C([O-])CCCCCNS(=O)(=O)CCOC1CCOC1	REAL300007634643	0	42	-1.0	-53.83	354.74	1.74	-52.09
CC1=NC(S(=O)(=O)NCCCCCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007634644	0	43	-1.0	-55.00	373.77	3.73	-51.27
O=C([O-])CCCCCNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007634645	0	51	-1.0	-51.56	376.91	7.43	-44.13
CC1(C)COC(CS(=O)(=O)NCCCCCC(=O)[O-])C1	REAL300007634646	0	44	-1.0	-54.31	360.49	3.72	-50.59
O=C([O-])CCCCCNS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007634647	0	37	-1.0	-60.72	330.90	0.23	-60.49
CC(C)(CS(=O)(=O)NCCCCCC(=O)[O-])C(C)(F)F	REAL300007634648	0	42	-1.0	-51.14	338.91	5.01	-46.13
CS(=O)(=O)CCCCS(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634649	0	42	-1.0	-62.85	370.40	1.35	-61.50
CC1(C)CCC(CS(=O)(=O)NCCCCCC(=O)[O-])OC1	REAL300007634650	0	47	-1.0	-53.77	374.18	4.91	-48.86
O=C([O-])CCCCCNS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007634651	0	44	-1.0	-51.92	370.44	6.84	-45.08
O=C([O-])CCCCCNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007634652	0	38	-1.0	-57.42	347.89	3.58	-53.84
O=C([O-])CCCCCNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007634653	0	44	-1.0	-55.30	383.21	7.44	-47.86
O=C([O-])CCCCCNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007634654	0	43	-1.0	-55.95	353.96	1.99	-53.96
O=C([O-])CCCCCNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007634655	0	47	-1.0	-51.63	367.25	6.53	-45.10
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007634656	0	38	-1.0	-50.37	343.74	5.85	-44.52
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C21	REAL300007634657	0	56	-1.0	-50.17	429.50	8.72	-41.45
COC1=CC=C(C=C(C)S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634658	0	45	-1.0	-51.65	373.24	5.41	-46.24
COC1=CSC(S(=O)(=O)NCCCCCC(=O)[O-])=C1OC	REAL300007634659	0	39	-1.0	-53.40	348.69	2.39	-51.01
O=C([O-])CCCCCNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007634660	0	46	-1.0	-49.94	360.35	4.99	-44.95
CN(CCC1=CC=CC=C1)S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634661	0	45	-1.0	-51.43	380.19	6.43	-45.00
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007634662	0	38	-1.0	-52.23	348.62	5.34	-46.89
COC1=CC(F)=C(S(=O)(=O)NCCCCCC(=O)[O-])C(F)=C1	REAL300007634663	0	38	-1.0	-51.71	337.90	4.11	-47.60
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007634664	0	38	-1.0	-52.94	345.40	4.19	-48.75
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634665	0	40	-1.0	-52.36	344.33	4.49	-47.87
CN1C=CC2=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C21	REAL300007634666	0	41	-1.0	-53.85	353.63	6.31	-47.54
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007634667	0	43	-1.0	-51.69	378.78	5.03	-46.66
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634668	0	47	-1.0	-53.64	390.94	6.96	-46.68
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007634669	0	45	-1.0	-52.74	390.33	7.46	-45.28
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634670	0	40	-1.0	-54.95	336.79	6.55	-48.40
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007634671	0	35	-1.0	-52.55	335.07	3.40	-49.15
C=C(C)COC1=CC=CC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634672	0	45	-1.0	-52.39	383.25	6.16	-46.23
CCN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C2CC2)=N1	REAL300007634673	0	44	-1.0	-53.31	365.07	4.79	-48.52
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=NSN=C2C=C1	REAL300007634674	0	38	-1.0	-55.21	337.93	3.92	-51.29
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007634675	0	40	-1.0	-50.87	362.55	7.32	-43.55
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007634676	0	44	-1.0	-50.62	390.84	8.48	-42.14
O=C([O-])CCCCCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007634677	0	33	-1.0	-52.99	327.25	2.52	-50.47
CCC1=CC(S(=O)(=O)NCCCCCC(=O)[O-])=CC=C1Br	REAL300007634678	0	40	-1.0	-49.30	358.96	6.41	-42.89
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634679	0	47	-1.0	-50.62	386.69	5.73	-44.89
O=C([O-])CCCCCNS(=O)(=O)C1=CC(Cl)=CS1	REAL300007634680	0	31	-1.0	-49.20	308.72	4.06	-45.14
COCCC1=CC=C(OC)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634681	0	48	-1.0	-53.10	397.01	4.87	-48.23
O=C([O-])CCCCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007634682	0	40	-1.0	-51.72	347.26	6.84	-44.88
CN1N=C2CCOCC2=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634683	0	42	-1.0	-51.47	350.56	2.22	-49.25
O=C([O-])CCCCCNS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007634684	0	41	-1.0	-50.98	342.77	6.77	-44.21
CC1(C)CCN(S(=O)(=O)NCCCCCC(=O)[O-])CC1	REAL300007634685	0	45	-1.0	-49.28	350.44	4.51	-44.77
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007634686	0	49	-1.0	-51.59	401.80	4.92	-46.67
COC1=NC=C(Cl)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634687	0	37	-1.0	-50.13	335.00	2.23	-47.90
COC1=NC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1C	REAL300007634688	0	40	-1.0	-51.00	347.23	1.96	-49.04
CC(C)CN1C=C(S(=O)(=O)NCCCCCC(=O)[O-])C=N1	REAL300007634689	0	43	-1.0	-53.07	367.33	4.65	-48.42
CC1=NN(C(C)C)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634690	0	43	-1.0	-52.40	363.54	4.24	-48.16
O=C([O-])CCCCCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007634691	0	44	-1.0	-52.08	362.14	2.31	-49.77
O=C([O-])CCCCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007634692	0	39	-1.0	-52.12	353.03	6.80	-45.32
CC(C)(C)C1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])N=C1	REAL300007634693	0	45	-1.0	-51.40	369.57	5.13	-46.27
CC(C)N1N=CC=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634694	0	40	-1.0	-50.55	341.62	3.80	-46.75
O=C([O-])CCCCCNS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007634695	0	41	-1.0	-50.39	348.54	4.69	-45.70
O=C([O-])CCCCCNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007634696	0	41	-1.0	-51.43	355.15	5.81	-45.62
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007634697	0	36	-1.0	-52.53	325.36	3.67	-48.86
O=C([O-])CCCCCNS(=O)(=O)N1CCC2=CC=CN=C21	REAL300007634698	0	39	-1.0	-54.78	335.05	4.92	-49.86
CC1=C(S(=O)(=O)NCCCCCC(=O)[O-])C=NN1C(C)C	REAL300007634699	0	43	-1.0	-53.25	363.18	4.34	-48.91
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C=C1	REAL300007634700	0	48	-1.0	-51.60	408.71	8.11	-43.49
O=C([O-])CCCCCNS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007634701	0	39	-1.0	-54.86	333.78	5.20	-49.66
CC1=CN=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C)=C1	REAL300007634702	0	39	-1.0	-52.79	332.41	4.13	-48.66
O=C([O-])CCCCCNS(=O)(=O)N1CC=C(Br)CC1	REAL300007634703	0	37	-1.0	-50.51	331.36	4.26	-46.25
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634704	0	42	-1.0	-59.26	358.17	0.34	-58.92
O=C([O-])CCCCCNS(=O)(=O)N1CC2CCC(C1)O2	REAL300007634705	0	41	-1.0	-49.94	331.32	2.66	-47.28
N#CC1CCN(S(=O)(=O)NCCCCCC(=O)[O-])CC1	REAL300007634706	0	40	-1.0	-55.53	338.21	4.02	-51.51
COC1=CC=NC(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634707	0	37	-1.0	-53.70	325.49	1.95	-51.75
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C(C(F)F)=C1	REAL300007634708	0	41	-1.0	-50.57	351.53	5.18	-45.39
COC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])N=C1	REAL300007634709	0	37	-1.0	-52.01	322.58	2.11	-49.90
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634710	0	40	-1.0	-50.22	357.14	2.69	-47.53
O=C([O-])CCCCCNS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007634711	0	39	-1.0	-52.50	336.53	4.98	-47.52
CCOC1=CC=CN=C1S(=O)(=O)NCCCCCC(=O)[O-]	REAL300007634712	0	40	-1.0	-56.44	342.26	3.92	-52.52
CC1=CC=C(S(=O)(=O)NCCCCCC(=O)[O-])C2=NC=CC=C12	REAL300007634713	0	42	-1.0	-55.59	349.87	6.19	-49.40
O=C([O-])CCCCCNS(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007634714	0	38	-1.0	-53.88	326.48	4.18	-49.70
O=C([O-])CCCCCNS(=O)(=O)N1CCC(F)(F)C1	REAL300007634715	0	36	-1.0	-50.58	316.86	3.02	-47.56
O=C([O-])CCCCCNS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007634716	0	36	-1.0	-56.07	330.90	3.52	-52.55
O=C([O-])CCCCCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300007634717	0	41	-1.0	-53.75	365.55	5.18	-48.57
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCCCCC(=O)[O-])=C1	REAL300007634718	0	47	-1.0	-52.16	376.20	6.35	-45.81
CN(C)S(=O)(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300007634719	0	39	-1.0	-56.06	356.79	0.94	-55.12
CCCCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300007634720	0	43	-1.0	-58.71	386.63	3.01	-55.70
CCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300007634721	0	37	-1.0	-58.87	343.64	1.44	-57.43
CS(=O)(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300007634722	0	34	-1.0	-59.55	322.15	0.54	-59.01
CCCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300007634723	0	40	-1.0	-54.82	364.77	2.22	-52.60
CCN(C)S(=O)(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300007634724	0	42	-1.0	-51.51	377.63	1.81	-49.70
CCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300007634725	0	37	-1.0	-58.87	343.64	1.44	-57.43
CCCCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300007634726	0	43	-1.0	-58.71	386.63	3.01	-55.70
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)=C1	REAL300007634727	0	38	-1.0	-57.67	353.08	2.31	-55.36
COCCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300007634728	0	41	-1.0	-55.49	376.95	0.51	-54.98
O=C([O-])C1=CSC(S(=O)(=O)N2CCN(S(=O)(=O)CC3CC3)CC2)=C1	REAL300007634729	0	41	-1.0	-58.92	375.22	3.01	-55.91
C=CCCS(=O)(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300007634730	0	41	-1.0	-54.85	377.58	2.78	-52.07
C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300007634731	0	41	-1.0	-56.21	377.15	2.71	-53.50
CC1(S(=O)(=O)N2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)CC1	REAL300007634732	0	41	-1.0	-51.74	370.26	3.34	-48.40
CC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634733	0	25	-1.0	-43.39	250.20	2.97	-40.42
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634734	0	31	-1.0	-57.18	298.39	-0.24	-57.42
O=C([O-])CNS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007634735	0	27	-1.0	-46.98	264.49	2.05	-44.93
O=C([O-])CNS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007634736	0	25	-1.0	-46.52	258.42	2.88	-43.64
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634737	0	39	-1.0	-50.33	355.08	0.64	-49.69
CS(=O)(=O)N1CCN(S(=O)(=O)NCC(=O)[O-])CC1	REAL300007634738	0	32	-1.0	-53.40	284.07	-2.87	-56.27
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007634739	0	35	-1.0	-51.75	317.56	4.49	-47.26
O=C([O-])CNS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007634740	0	28	-1.0	-43.71	280.34	2.70	-41.01
COC1=CC(Cl)=C(S(=O)(=O)NCC(=O)[O-])C=C1OC	REAL300007634741	0	30	-1.0	-46.01	273.70	0.81	-45.20
COC1=CC(S(=O)(=O)NCC(=O)[O-])=C(OC)C=C1Br	REAL300007634742	0	30	-1.0	-45.38	283.75	1.34	-44.04
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007634743	0	25	-1.0	-44.57	252.87	2.75	-41.82
O=C([O-])CNS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1	REAL300007634744	0	32	-1.0	-45.43	308.84	5.59	-39.84
O=C([O-])CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007634745	0	27	-1.0	-43.50	266.53	3.79	-39.71
COCCOC1=C(Cl)C=C(S(=O)(=O)NCC(=O)[O-])C=C1Cl	REAL300007634746	0	33	-1.0	-43.53	334.32	2.28	-41.25
O=C([O-])CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007634747	0	29	-1.0	-47.62	270.63	3.24	-44.38
CC1=C(Br)C=C(S(=O)(=O)NCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007634750	0	27	-1.0	-42.55	278.11	3.36	-39.19
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634751	0	33	-1.0	-49.65	289.63	1.68	-47.97
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C	REAL300007634752	0	33	-1.0	-49.50	305.23	-1.49	-50.99
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300007634753	0	40	-1.0	-50.45	347.66	4.13	-46.32
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634754	0	36	-1.0	-50.90	327.63	2.69	-48.21
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634755	0	36	-1.0	-49.37	320.38	2.68	-46.69
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007634756	0	37	-1.0	-50.23	328.71	2.96	-47.27
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007634757	0	29	-1.0	-43.82	281.59	1.85	-41.97
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(OC)=C1	REAL300007634758	0	40	-1.0	-52.29	354.04	-0.32	-52.61
COC1=CC(Br)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007634759	0	26	-1.0	-44.03	264.16	1.48	-42.55
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC(=O)[O-])=C1C	REAL300007634760	0	49	-1.0	-45.69	400.69	6.16	-39.53
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300007634761	0	36	-1.0	-45.84	324.43	-0.52	-46.36
O=C([O-])CNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007634762	0	25	-1.0	-47.58	258.42	2.87	-44.71
O=C([O-])CNS(=O)(=O)CC1=CC=CC=C1Br	REAL300007634763	0	25	-1.0	-47.66	253.90	2.82	-44.84
O=C([O-])CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007634764	0	29	-1.0	-59.13	277.99	-0.59	-59.72
CC1=CC(Br)=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007634765	0	25	-1.0	-43.87	256.08	2.83	-41.04
CC1=C(Br)C=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634766	0	25	-1.0	-43.47	246.81	2.85	-40.62
COC1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1Br	REAL300007634767	0	26	-1.0	-43.08	263.29	1.52	-41.56
COC1=CC(OC)=C(S(=O)(=O)NCC(=O)[O-])C=C1Cl	REAL300007634768	0	30	-1.0	-46.99	279.39	1.25	-45.74
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634769	0	33	-1.0	-52.07	293.60	0.73	-51.34
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1I	REAL300007634770	0	25	-1.0	-44.42	258.72	3.19	-41.23
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634771	0	34	-1.0	-50.90	317.02	0.77	-50.13
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007634772	0	39	-1.0	-50.24	350.16	1.27	-48.97
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634773	0	39	-1.0	-54.11	356.25	0.06	-54.05
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300007634774	0	30	-1.0	-47.46	292.33	-1.67	-49.13
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCC(=O)[O-])S1	REAL300007634775	0	36	-1.0	-52.28	348.67	-0.82	-53.10
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(OC)=C1	REAL300007634776	0	37	-1.0	-52.52	332.54	-1.12	-53.64
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C(F)=C1	REAL300007634777	0	36	-1.0	-50.11	331.80	-0.39	-50.50
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634778	0	36	-1.0	-48.41	332.50	-0.66	-49.07
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634779	0	33	-1.0	-60.06	293.32	1.48	-58.58
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300007634780	0	36	-1.0	-46.21	335.29	0.01	-46.20
O=C([O-])CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007634781	0	37	-1.0	-61.12	319.54	2.65	-58.47
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1F	REAL300007634782	0	33	-1.0	-46.50	313.79	-0.78	-47.28
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007634783	0	37	-1.0	-47.23	327.12	1.99	-45.24
O=C([O-])CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007634784	0	34	-1.0	-48.36	280.72	0.55	-47.81
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007634785	0	31	-1.0	-51.07	295.53	-0.03	-51.10
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634786	0	32	-1.0	-54.60	294.58	-1.10	-55.70
CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007634787	0	29	-1.0	-44.56	285.13	2.45	-42.11
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007634788	0	36	-1.0	-47.33	321.56	4.61	-42.72
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007634789	0	26	-1.0	-43.95	260.36	2.17	-41.78
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007634790	0	28	-1.0	-45.56	293.82	-0.32	-45.88
COC1=CC=C(Br)C(CS(=O)(=O)NCC(=O)[O-])=C1	REAL300007634791	0	29	-1.0	-48.32	283.31	2.12	-46.20
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2S1	REAL300007634792	0	36	-1.0	-45.34	326.35	3.50	-41.84
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634793	0	29	-1.0	-46.79	273.34	2.56	-44.23
O=C([O-])CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007634794	0	25	-1.0	-43.92	269.00	3.49	-40.43
CC1=C(S(=O)(=O)NCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007634795	0	28	-1.0	-45.11	277.20	4.30	-40.81
O=C([O-])CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007634796	0	25	-1.0	-46.93	256.12	2.95	-43.98
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007634797	0	36	-1.0	-48.09	320.25	4.93	-43.16
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634798	0	35	-1.0	-50.78	320.78	3.12	-47.66
O=C([O-])CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007634799	0	33	-1.0	-52.51	313.38	-1.39	-53.90
O=C([O-])CNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007634800	0	28	-1.0	-47.50	274.81	3.48	-44.02
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCC(=O)[O-])=C1	REAL300007634801	0	31	-1.0	-58.29	297.81	-0.23	-58.52
O=C([O-])CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007634802	0	33	-1.0	-44.80	309.90	1.38	-43.42
O=C([O-])CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007634803	0	28	-1.0	-44.54	280.57	4.43	-40.11
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634804	1	37	-1.0	-48.11	333.24	-1.20	-49.31
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007634805	0	28	-1.0	-43.36	281.97	-0.36	-43.72
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NCC(=O)[O-])C=C12	REAL300007634807	0	37	-1.0	-48.90	336.75	4.82	-44.08
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCC(=O)[O-])C=C12	REAL300007634808	0	41	-1.0	-46.07	354.88	2.32	-43.75
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634809	0	29	-1.0	-46.88	277.03	2.92	-43.96
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300007634810	0	38	-1.0	-48.88	341.72	-0.88	-49.76
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634811	0	39	-1.0	-48.26	350.12	1.27	-46.99
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634812	0	33	-1.0	-48.64	308.96	-0.45	-49.09
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007634813	0	26	-1.0	-44.93	263.28	1.52	-43.41
O=C([O-])CNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007634814	0	28	-1.0	-41.21	291.16	3.56	-37.65
CC1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1Br	REAL300007634815	0	25	-1.0	-42.82	252.87	2.74	-40.08
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)=C1	REAL300007634816	0	36	-1.0	-45.40	323.48	5.06	-40.34
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634817	0	38	-1.0	-48.48	310.10	3.70	-44.78
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C21	REAL300007634818	0	29	-1.0	-47.37	288.80	3.93	-43.44
COC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634819	0	26	-1.0	-46.54	255.18	2.00	-44.54
CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1OCC	REAL300007634820	0	36	-1.0	-46.22	315.81	2.60	-43.62
O=C([O-])CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007634821	0	34	-1.0	-50.94	322.36	-0.60	-51.54
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCC(=O)[O-]	REAL300007634822	0	30	-1.0	-47.05	281.16	3.12	-43.93
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007634823	0	33	-1.0	-50.37	308.11	-0.41	-50.78
O=C([O-])CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007634824	0	34	-1.0	-54.71	299.30	0.89	-53.82
CN(C)C1=CC=CC2=C(S(=O)(=O)NCC(=O)[O-])C=CC=C12	REAL300007634825	0	36	-1.0	-47.11	307.79	3.76	-43.35
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007634826	0	27	-1.0	-48.73	269.63	4.03	-44.70
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007634827	0	33	-1.0	-44.26	319.05	4.97	-39.29
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007634828	0	33	-1.0	-44.28	318.77	4.92	-39.36
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C=C1	REAL300007634829	0	37	-1.0	-45.33	331.57	3.69	-41.64
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCC(=O)[O-])C(C(C)C)=C1	REAL300007634830	0	49	-1.0	-44.81	371.63	7.41	-37.40
CC(C)OC1=CC=C(S(=O)(=O)NCC(=O)[O-])C2=CC=CC=C12	REAL300007634831	0	38	-1.0	-47.68	322.48	4.81	-42.87
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300007634832	0	40	-1.0	-48.06	350.48	1.54	-46.52
COC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007634833	0	38	-1.0	-49.12	333.05	-0.78	-49.90
CC(C)CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634834	0	38	-1.0	-44.60	325.29	3.88	-40.72
O=C([O-])CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007634835	0	26	-1.0	-45.18	268.65	1.68	-43.50
CC1=CC(Br)=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634836	0	25	-1.0	-42.38	249.36	3.06	-39.32
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634837	0	31	-1.0	-53.92	288.81	-0.03	-53.95
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007634838	0	34	-1.0	-48.61	322.37	-0.60	-49.21
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634839	0	30	-1.0	-49.22	289.97	-2.28	-51.50
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634840	0	30	-1.0	-49.94	255.37	-1.33	-51.27
CC1=NC(C2=CC=C(S(=O)(=O)NCC(=O)[O-])S2)=CS1	REAL300007634841	0	28	-1.0	-46.06	292.81	2.11	-43.95
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007634842	0	42	-1.0	-44.42	347.93	5.17	-39.25
O=C([O-])CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007634843	0	33	-1.0	-46.76	297.59	5.67	-41.09
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C=C1	REAL300007634844	0	39	-1.0	-47.94	360.13	3.19	-44.75
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCC(=O)[O-])=C2	REAL300007634845	0	35	-1.0	-49.80	313.18	5.39	-44.41
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007634846	0	29	-1.0	-46.04	284.28	2.24	-43.80
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007634847	0	36	-1.0	-45.97	324.62	4.83	-41.14
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634848	0	30	-1.0	-51.36	290.44	-1.83	-53.19
O=C([O-])CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007634849	0	37	-1.0	-51.46	335.30	0.69	-50.77
CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C2=CC=CC=C12	REAL300007634850	0	35	-1.0	-48.01	304.55	4.17	-43.84
CCOCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634851	0	36	-1.0	-47.51	320.21	2.01	-45.50
CCCCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634852	0	38	-1.0	-44.67	329.22	4.14	-40.53
O=C([O-])CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007634853	0	26	-1.0	-43.03	269.75	3.01	-40.02
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007634854	0	30	-1.0	-51.21	289.99	-2.29	-53.50
O=C([O-])CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1	REAL300007634855	0	43	-1.0	-51.15	361.07	2.25	-48.90
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300007634856	0	41	-1.0	-50.99	344.99	-0.59	-51.58
CC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300007634857	0	43	-1.0	-52.44	353.72	1.87	-50.57
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634858	0	43	-1.0	-48.60	365.22	2.44	-46.16
O=C([O-])CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300007634859	0	40	-1.0	-50.82	350.49	1.53	-49.29
O=C([O-])CNS(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1	REAL300007634860	0	28	-1.0	-46.66	301.08	2.84	-43.82
O=C([O-])CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007634861	0	34	-1.0	-47.62	307.09	3.53	-44.09
O=C([O-])CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007634862	0	28	-1.0	-46.98	286.20	2.29	-44.69
O=C([O-])CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1	REAL300007634863	0	33	-1.0	-49.32	330.19	-0.99	-50.31
O=C([O-])CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007634864	0	34	-1.0	-58.77	309.96	0.06	-58.71
O=C([O-])CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007634865	0	29	-1.0	-46.83	283.12	2.05	-44.78
COC1=CC(OC)=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007634866	0	30	-1.0	-46.96	283.77	1.36	-45.60
O=C([O-])CNS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007634867	0	35	-1.0	-52.76	334.45	3.73	-49.03
O=C([O-])CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007634868	0	30	-1.0	-51.39	275.19	2.19	-49.20
CC1CC(C)CN(S(=O)(=O)C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C1	REAL300007634869	0	46	-1.0	-47.59	392.16	2.72	-44.87
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007634870	0	34	-1.0	-48.62	301.29	0.55	-48.07
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007634871	0	33	-1.0	-46.12	318.76	4.91	-41.21
O=C([O-])CNS(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1	REAL300007634872	0	28	-1.0	-49.71	301.08	2.83	-46.88
O=C([O-])CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007634873	0	28	-1.0	-46.76	296.52	2.74	-44.02
CC1CC2=CC(S(=O)(=O)NCC(=O)[O-])=CC(Cl)=C2O1	REAL300007634874	0	30	-1.0	-44.61	287.14	2.66	-41.95
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC(=O)[O-])C=N1	REAL300007634875	0	33	-1.0	-51.03	301.10	2.31	-48.72
CC1=CSC(C2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)=N1	REAL300007634876	0	31	-1.0	-46.09	299.60	3.02	-43.07
O=C([O-])CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007634877	0	29	-1.0	-51.83	278.45	-0.59	-52.42
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634878	0	47	-1.0	-44.61	393.72	6.48	-38.13
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634879	0	32	-1.0	-46.92	298.53	3.72	-43.20
O=C([O-])CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007634880	0	36	-1.0	-46.35	330.85	4.91	-41.44
CCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300007634881	0	41	-1.0	-44.78	344.83	4.60	-40.18
O=C([O-])CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007634882	0	35	-1.0	-44.00	314.33	3.87	-40.13
O=C([O-])CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007634883	0	33	-1.0	-46.83	314.00	5.65	-41.18
CC1=CC(Br)=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007634884	0	25	-1.0	-43.53	269.33	3.47	-40.06
CC1=CC(S(=O)(=O)NCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007634885	0	42	-1.0	-45.93	368.71	6.45	-39.48
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007634886	0	28	-1.0	-42.41	284.59	3.43	-38.98
CCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300007634887	0	38	-1.0	-45.14	323.33	3.80	-41.34
O=C([O-])CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007634888	0	41	-1.0	-47.27	338.98	6.06	-41.21
CCCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300007634889	0	44	-1.0	-44.46	366.32	5.38	-39.08
CCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)(C)C	REAL300007634890	0	44	-1.0	-44.93	357.38	5.27	-39.66
CCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1CC	REAL300007634891	0	38	-1.0	-44.62	327.91	4.07	-40.55
COCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007634892	0	33	-1.0	-46.61	318.76	1.72	-44.89
CC1=CC(Br)=CC=C1CS(=O)(=O)NCC(=O)[O-]	REAL300007634893	0	28	-1.0	-45.95	274.21	3.45	-42.50
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634894	0	38	-1.0	-46.69	328.92	4.35	-42.34
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C=C1	REAL300007634895	0	37	-1.0	-44.72	342.26	5.41	-39.31
CCCCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300007634896	0	47	-1.0	-44.64	387.82	6.16	-38.48
COC1=CC(C(C)C)=C(S(=O)(=O)NCC(=O)[O-])C=C1C	REAL300007634897	0	38	-1.0	-46.00	316.89	3.67	-42.33
CCOCCOC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1C(C)C	REAL300007634898	0	45	-1.0	-47.43	378.81	4.02	-43.41
O=C([O-])CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007634899	0	28	-1.0	-48.53	267.04	2.18	-46.35
O=C([O-])CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007634900	0	26	-1.0	-48.61	261.35	1.80	-46.81
CC1=CC(C)=C(S(=O)(=O)NCC(=O)[O-])C=C1Br	REAL300007634901	0	28	-1.0	-44.17	267.59	3.64	-40.53
O=C([O-])CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007634902	0	28	-1.0	-43.11	281.58	2.69	-40.42
O=C([O-])CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007634903	0	28	-1.0	-44.24	284.58	3.43	-40.81
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007634904	0	33	-1.0	-48.13	303.10	4.36	-43.77
O=C([O-])CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007634905	0	25	-1.0	-41.42	258.51	2.62	-38.80
O=C([O-])CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007634906	0	28	-1.0	-43.82	275.78	2.59	-41.23
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634907	0	32	-1.0	-43.78	309.56	2.32	-41.46
CN1C=C(S(=O)(=O)NCC(=O)[O-])C(C2CCOCC2)=N1	REAL300007634908	0	36	-1.0	-46.97	311.89	0.66	-46.31
O=C([O-])CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007634909	0	25	-1.0	-45.80	272.64	3.55	-42.25
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007634910	0	33	-1.0	-44.68	302.06	4.40	-40.28
CC1=CC(S(=O)(=O)NCC(=O)[O-])=CC(C)=C1Br	REAL300007634911	0	28	-1.0	-43.09	271.06	3.30	-39.79
O=C([O-])CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007634912	0	25	-1.0	-45.80	272.64	3.55	-42.25
O=C([O-])CNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007634913	0	26	-1.0	-44.82	266.56	3.35	-41.47
O=C([O-])CNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007634914	0	26	-1.0	-44.77	266.56	3.36	-41.41
O=C([O-])CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007634915	0	32	-1.0	-48.77	296.66	4.44	-44.33
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCC(=O)[O-])=CC=C21	REAL300007634916	0	44	-1.0	-45.61	342.95	5.73	-39.88
O=C([O-])CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007634917	0	26	-1.0	-46.85	262.07	2.30	-44.55
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007634918	0	31	-1.0	-43.93	292.23	2.03	-41.90
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634919	0	35	-1.0	-47.22	304.39	3.96	-43.26
O=C([O-])CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007634920	0	33	-1.0	-47.49	303.79	4.47	-43.02
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007634921	0	23	-1.0	-48.08	248.37	0.42	-47.66
O=C([O-])CNS(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1	REAL300007634922	0	31	-1.0	-41.93	305.86	3.94	-37.99
O=C([O-])CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007634923	0	32	-1.0	-44.48	304.29	5.48	-39.00
CCC1=CC(S(=O)(=O)NCC(=O)[O-])=CC=C1Br	REAL300007634924	0	28	-1.0	-42.70	272.41	3.42	-39.28
COCCC1=CC=C(OC)C(S(=O)(=O)NCC(=O)[O-])=C1	REAL300007634925	0	36	-1.0	-49.00	310.46	1.88	-47.12
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2=CC=C(Br)C=C2)C=C1	REAL300007634926	0	33	-1.0	-44.20	323.34	5.02	-39.18
O=C([O-])CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007634927	0	28	-1.0	-45.57	278.20	1.38	-44.19
O=C([O-])CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007634928	0	37	-1.0	-45.25	315.25	1.93	-43.32
O=C([O-])CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007634929	0	27	-1.0	-45.93	266.51	3.80	-42.13
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC(=O)[O-])C=C1	REAL300007634930	0	36	-1.0	-45.12	322.18	5.12	-40.00
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NCC(=O)[O-])C=C2)C=C1	REAL300007634931	0	45	-1.0	-45.63	384.85	6.76	-38.87
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(=O)[O-]	REAL300007634932	0	28	-1.0	-43.73	270.59	-0.30	-44.03
O=C([O-])CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300007634933	0	29	-1.0	-48.80	279.00	2.18	-46.62
CCC(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007634934	0	31	-1.0	-55.12	288.98	4.43	-50.69
CCC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007634935	0	32	-1.0	-43.06	298.93	3.38	-39.68
CCC(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007634936	0	34	-1.0	-59.36	316.20	0.51	-58.85
CCC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007634937	0	32	-1.0	-39.88	300.04	2.82	-37.06
CCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007634938	0	39	-1.0	-56.07	325.25	2.86	-53.21
CCC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007634939	0	44	-1.0	-53.34	357.37	6.80	-46.54
CCC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007634940	0	34	-1.0	-56.39	299.99	2.15	-54.24
CCC(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007634941	0	28	-1.0	-54.25	269.63	3.65	-50.60
CCC(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007634942	0	28	-1.0	-50.93	276.58	3.64	-47.29
CCC(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007634943	0	33	-1.0	-48.61	289.03	5.36	-43.25
CCC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007634944	0	34	-1.0	-42.02	316.86	5.03	-36.99
CCC(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007634945	0	38	-1.0	-44.51	334.69	-0.44	-44.95
CCC(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007634946	0	39	-1.0	-52.16	337.70	4.84	-47.32
CCC(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007634947	0	37	-1.0	-66.82	340.55	1.19	-65.63
CCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007634948	0	38	-1.0	-54.50	313.21	3.73	-50.77
CCC(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007634949	0	33	-1.0	-56.69	313.49	3.53	-53.16
CCC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007634950	0	31	-1.0	-55.66	300.18	4.33	-51.33
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C=C1	REAL300007634951	0	45	-1.0	-59.86	393.54	2.18	-57.68
CCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007634952	0	37	-1.0	-56.82	327.15	4.29	-52.53
CCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21)C(=O)[O-]	REAL300007634953	0	41	-1.0	-51.54	360.09	6.02	-45.52
CCC(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007634954	0	36	-1.0	-68.30	321.68	2.41	-65.89
CCC(NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1)C(=O)[O-]	REAL300007634955	0	34	-1.0	-51.53	323.04	4.18	-47.35
CCC(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007634956	0	36	-1.0	-53.03	325.36	2.72	-50.31
CCC(NS(=O)(=O)C1=CC(OC)=C(Br)C=C1OC)C(=O)[O-]	REAL300007634957	0	36	-1.0	-44.63	334.42	2.84	-41.79
CCC(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007634958	0	31	-1.0	-54.24	294.98	4.17	-50.07
CCC(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007634959	0	34	-1.0	-44.90	311.96	5.85	-39.05
CCC(NS(=O)(=O)C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C(=O)[O-]	REAL300007634960	0	38	-1.0	-53.85	350.96	7.03	-46.82
CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007634961	0	33	-1.0	-51.56	301.55	4.45	-47.11
CCC(NS(=O)(=O)C1=CC(Cl)=C(OCCOC)C(Cl)=C1)C(=O)[O-]	REAL300007634962	0	39	-1.0	-41.73	377.28	3.79	-37.94
CCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007634963	0	32	-1.0	-51.83	300.70	2.66	-49.17
CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007634964	0	35	-1.0	-53.54	319.59	4.38	-49.16
CCC(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007634965	0	43	-1.0	-54.60	351.43	4.39	-50.21
CCC(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300007634966	0	39	-1.0	-49.70	339.73	2.55	-47.15
CCC(NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007634969	0	33	-1.0	-42.96	321.05	4.87	-38.09
CCC(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300007634970	0	39	-1.0	-60.84	345.42	3.18	-57.66
CCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300007634971	0	39	-1.0	-56.86	347.34	-0.05	-56.91
CCC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007634972	0	46	-1.0	-52.67	342.28	4.67	-48.00
CCC(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007634973	0	36	-1.0	-53.08	317.84	4.30	-48.78
CCC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007634974	0	36	-1.0	-50.96	316.46	4.89	-46.07
CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300007634975	0	46	-1.0	-45.43	396.14	5.68	-39.75
CCC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007634976	0	39	-1.0	-46.45	333.46	1.61	-44.84
CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300007634977	0	42	-1.0	-45.67	378.41	4.13	-41.54
CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300007634978	0	42	-1.0	-59.24	370.31	4.31	-54.93
CCC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007634979	0	44	-1.0	-40.48	355.69	4.39	-36.09
CCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007634980	0	43	-1.0	-44.95	379.28	4.47	-40.48
CCC(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007634981	0	35	-1.0	-41.75	322.27	3.33	-38.42
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CC)C(=O)[O-])C(OC)=C1	REAL300007634982	0	46	-1.0	-62.71	400.05	1.30	-61.41
CCC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007634983	0	36	-1.0	-51.59	314.02	0.77	-50.82
CCC(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300007634984	0	32	-1.0	-42.18	304.83	2.95	-39.23
CCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007634985	0	32	-1.0	-42.94	297.83	3.21	-39.73
CCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300007634986	0	34	-1.0	-49.92	310.76	3.75	-46.17
CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300007634987	0	34	-1.0	-51.02	305.90	4.65	-46.37
CCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300007634988	0	34	-1.0	-55.59	306.51	4.84	-50.75
CCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007634989	0	34	-1.0	-49.85	309.67	4.52	-45.33
CCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007634990	0	35	-1.0	-58.63	319.83	3.54	-55.09
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(CC)C(=O)[O-])=C1C	REAL300007634991	0	55	-1.0	-54.40	440.83	7.49	-46.91
CCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300007634992	0	42	-1.0	-54.63	365.47	0.89	-53.74
CCC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007634993	0	36	-1.0	-58.37	328.84	5.16	-53.21
CCC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007634994	0	31	-1.0	-41.45	296.59	4.32	-37.13
CCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007634995	0	31	-1.0	-55.84	295.91	4.26	-51.58
CCC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007634996	0	35	-1.0	-65.15	319.91	0.87	-64.28
CCC(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300007634997	0	31	-1.0	-43.09	299.02	4.34	-38.75
CCC(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007634998	0	31	-1.0	-51.42	285.22	4.33	-47.09
CCC(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300007634999	0	32	-1.0	-50.06	305.15	2.98	-47.08
CCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300007635000	0	36	-1.0	-44.78	327.85	2.75	-42.03
CC1=C(Br)C=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007635378	0	30	-1.0	-41.12	297.61	3.98	-37.14
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635379	0	36	-1.0	-53.29	322.19	2.22	-51.07
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C	REAL300007635380	0	36	-1.0	-49.05	324.72	-0.86	-49.91
CC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007635381	0	43	-1.0	-41.62	319.81	3.83	-37.79
CC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007635382	0	33	-1.0	-50.60	297.27	4.08	-46.52
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300007635383	0	43	-1.0	-52.87	374.18	4.75	-48.12
CC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007635384	0	36	-1.0	-48.02	308.32	0.58	-47.44
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635385	0	39	-1.0	-52.38	353.93	3.25	-49.13
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635386	0	39	-1.0	-50.01	351.29	3.47	-46.54
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007635387	0	40	-1.0	-52.19	354.95	3.54	-48.65
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635388	0	32	-1.0	-45.43	299.06	2.39	-43.04
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(OC)=C1	REAL300007635389	0	43	-1.0	-49.31	382.72	0.29	-49.02
COC1=CC(Br)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635390	0	29	-1.0	-45.75	281.62	2.01	-43.74
CC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007635391	0	29	-1.0	-47.19	276.47	2.26	-44.93
COC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007635392	0	31	-1.0	-45.19	286.30	2.83	-42.36
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635393	0	31	-1.0	-39.68	288.43	4.03	-35.65
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635394	0	31	-1.0	-40.57	288.56	4.02	-36.55
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007635395	0	31	-1.0	-40.98	287.29	3.68	-37.30
CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007635396	0	32	-1.0	-47.49	297.02	2.72	-44.77
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1C	REAL300007635397	0	52	-1.0	-47.36	418.41	6.60	-40.76
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1F	REAL300007635398	0	39	-1.0	-47.96	351.25	0.51	-47.45
CC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007635399	0	33	-1.0	-53.17	303.54	4.26	-48.91
CC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007635400	0	28	-1.0	-43.10	277.41	3.51	-39.59
CC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007635401	0	28	-1.0	-50.32	270.84	3.36	-46.96
CC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007635402	0	32	-1.0	-58.33	297.48	0.04	-58.29
CC1=CC(Br)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635403	0	28	-1.0	-46.07	273.78	3.36	-42.71
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635404	0	28	-1.0	-42.26	266.72	3.63	-38.63
COC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1Br	REAL300007635405	0	29	-1.0	-44.63	280.69	2.06	-42.57
COC1=CC(OC)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300007635406	0	33	-1.0	-45.36	308.05	1.86	-43.50
CC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007635407	0	28	-1.0	-49.03	277.39	1.25	-47.78
CC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007635408	0	28	-1.0	-50.11	272.17	1.23	-48.88
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635409	0	36	-1.0	-43.97	295.91	0.03	-43.94
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1I	REAL300007635410	0	28	-1.0	-46.72	276.36	3.71	-43.01
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635411	0	37	-1.0	-50.75	336.52	1.38	-49.37
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635412	0	42	-1.0	-51.37	367.62	1.81	-49.56
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635413	0	42	-1.0	-51.43	375.73	0.68	-50.75
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007635414	0	33	-1.0	-49.94	309.97	-1.15	-51.09
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])S1	REAL300007635415	0	39	-1.0	-50.30	368.72	-0.17	-50.47
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(OC)=C1	REAL300007635416	0	40	-1.0	-48.32	357.40	-0.39	-48.71
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(F)=C1	REAL300007635417	0	39	-1.0	-51.66	356.46	0.66	-51.00
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635418	0	39	-1.0	-47.76	351.96	-0.04	-47.80
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007635419	0	36	-1.0	-55.49	310.49	2.54	-52.95
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1F	REAL300007635420	0	39	-1.0	-48.66	352.93	0.53	-48.13
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007635421	0	40	-1.0	-49.57	335.45	2.80	-46.77
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1F	REAL300007635422	0	36	-1.0	-48.89	331.43	-0.26	-49.15
CC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007635423	0	40	-1.0	-49.40	344.53	2.53	-46.87
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007635424	0	37	-1.0	-51.60	322.93	2.48	-49.12
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635425	0	34	-1.0	-53.93	312.95	0.51	-53.42
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635426	0	35	-1.0	-57.47	320.87	-0.54	-58.01
CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300007635427	0	32	-1.0	-46.14	302.78	2.97	-43.17
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007635428	0	39	-1.0	-49.15	339.02	5.15	-44.00
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007635429	0	29	-1.0	-46.98	286.80	2.71	-44.27
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007635430	0	31	-1.0	-43.65	313.28	0.29	-43.36
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635431	0	32	-1.0	-45.11	302.16	2.78	-42.33
CC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007635432	0	39	-1.0	-44.90	345.82	4.11	-40.79
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635433	0	32	-1.0	-49.53	299.87	3.11	-46.42
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C21	REAL300007635434	0	37	-1.0	-48.47	321.78	3.62	-44.85
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007635435	0	31	-1.0	-46.46	285.76	3.43	-43.03
CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007635436	0	28	-1.0	-42.60	288.89	4.15	-38.45
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007635437	0	31	-1.0	-43.30	301.49	5.11	-38.19
CC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007635438	0	28	-1.0	-45.33	287.60	4.07	-41.26
CC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007635439	0	31	-1.0	-49.16	291.75	5.08	-44.08
CC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007635440	0	31	-1.0	-43.98	293.70	3.97	-40.01
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007635441	0	39	-1.0	-50.00	347.01	5.52	-44.48
CC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007635442	0	38	-1.0	-49.45	340.24	3.73	-45.72
CC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007635443	0	36	-1.0	-55.54	330.31	-0.85	-56.39
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007635444	0	34	-1.0	-45.12	304.87	5.21	-39.91
CC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007635445	0	31	-1.0	-44.05	293.80	4.12	-39.93
COC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300007635446	0	32	-1.0	-41.97	294.62	2.97	-39.00
CC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007635447	0	34	-1.0	-52.74	316.67	0.42	-52.32
CSC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Cl	REAL300007635448	0	29	-1.0	-46.04	286.22	3.55	-42.49
CC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007635449	0	33	-1.0	-46.29	301.99	0.62	-45.67
CC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007635450	0	36	-1.0	-45.06	327.33	1.92	-43.14
CC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007635451	0	31	-1.0	-46.33	298.03	4.98	-41.35
CCC1=CC(CC)=C(S(=O)(=O)NC(C)C(=O)[O-])C(CC)=C1	REAL300007635452	0	43	-1.0	-42.99	331.45	6.89	-36.10
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635453	1	40	-1.0	-52.86	354.68	-0.76	-53.62
CC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007635454	0	31	-1.0	-44.82	299.44	0.18	-44.64
CC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007635455	0	34	-1.0	-47.07	300.08	6.05	-41.02
CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007635457	0	33	-1.0	-45.73	300.29	3.34	-42.39
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635458	0	32	-1.0	-46.37	302.66	2.32	-44.05
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007635459	0	25	-1.0	-40.04	265.96	2.40	-37.64
COC1=CC=C2C=C(S(=O)(=O)NC(C)C(=O)[O-])CCC2=C1	REAL300007635460	0	37	-1.0	-44.95	317.84	3.92	-41.03
CC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007635461	0	36	-1.0	-55.32	305.60	-0.70	-56.02
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C12	REAL300007635462	0	40	-1.0	-49.53	354.22	5.32	-44.21
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C12	REAL300007635463	0	44	-1.0	-46.88	372.57	2.85	-44.03
CCC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007635464	0	33	-1.0	-45.19	295.28	3.99	-41.20
CC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007635465	0	25	-1.0	-41.05	254.02	2.80	-38.25
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635466	0	32	-1.0	-49.39	303.32	3.48	-45.91
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007635467	0	31	-1.0	-46.93	288.34	2.91	-44.02
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300007635468	0	41	-1.0	-50.44	359.46	-0.35	-50.79
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635469	0	42	-1.0	-47.90	369.61	1.88	-46.02
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007635470	0	36	-1.0	-48.01	328.39	0.17	-47.84
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300007635471	0	29	-1.0	-46.58	280.92	2.05	-44.53
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007635472	0	31	-1.0	-39.54	310.66	4.19	-35.35
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1Br	REAL300007635473	0	28	-1.0	-41.50	272.33	3.35	-38.15
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)=C1	REAL300007635474	0	39	-1.0	-47.08	340.95	5.60	-41.48
CC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007635475	0	29	-1.0	-40.83	278.70	1.97	-38.86
CC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007635476	0	34	-1.0	-47.48	293.84	2.02	-45.46
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635477	0	41	-1.0	-51.09	336.36	4.28	-46.81
CC(NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300007635478	0	32	-1.0	-46.44	308.10	4.55	-41.89
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635479	0	29	-1.0	-49.31	281.47	2.56	-46.75
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635480	0	43	-1.0	-43.51	334.94	6.03	-37.48
CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1OCC	REAL300007635481	0	39	-1.0	-47.42	333.22	3.14	-44.28
CC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007635482	0	30	-1.0	-48.94	286.90	-2.86	-51.80
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007635483	0	33	-1.0	-44.80	297.08	4.02	-40.78
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1C	REAL300007635484	0	33	-1.0	-41.46	294.29	4.31	-37.15
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007635485	0	31	-1.0	-51.92	281.19	3.00	-48.92
CC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007635486	0	30	-1.0	-52.99	285.31	-2.97	-55.96
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007635487	0	37	-1.0	-50.57	342.10	-0.00	-50.57
CC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007635488	0	33	-1.0	-45.07	298.27	3.71	-41.36
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C	REAL300007635489	0	33	-1.0	-52.61	290.42	4.93	-47.68
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007635490	0	36	-1.0	-52.01	326.57	0.08	-51.93
CC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007635491	0	37	-1.0	-52.90	319.86	1.52	-51.38
CC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007635492	0	31	-1.0	-54.87	291.53	-0.39	-55.26
CC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007635493	0	35	-1.0	-46.79	304.91	5.82	-40.97
CC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007635494	0	35	-1.0	-45.00	306.87	5.59	-39.41
CC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007635495	0	39	-1.0	-46.48	328.70	4.42	-42.06
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007635496	0	30	-1.0	-47.96	290.26	4.70	-43.26
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007635497	0	36	-1.0	-48.45	336.34	5.48	-42.97
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635498	0	31	-1.0	-42.83	290.65	2.66	-40.17
CC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007635499	0	36	-1.0	-42.70	338.10	5.54	-37.16
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300007635500	0	40	-1.0	-44.17	350.89	4.31	-39.86
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)C(=O)[O-])C(C(C)C)=C1	REAL300007635501	0	52	-1.0	-44.26	393.86	8.22	-36.04
CC(C)OC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007635502	0	41	-1.0	-47.20	343.33	5.50	-41.70
CC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007635503	0	28	-1.0	-41.87	288.03	3.86	-38.01
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007635504	0	35	-1.0	-47.50	303.39	3.93	-43.57
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300007635505	0	43	-1.0	-47.59	369.97	2.16	-45.43
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007635506	0	41	-1.0	-46.22	352.76	-0.19	-46.41
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635507	0	33	-1.0	-41.24	293.86	4.66	-36.58
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635508	0	41	-1.0	-43.29	344.71	4.49	-38.80
CC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007635509	0	39	-1.0	-43.26	327.46	4.39	-38.87
CC(C)COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635510	0	38	-1.0	-43.31	325.75	3.89	-39.42
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007635511	0	29	-1.0	-46.56	286.05	2.22	-44.34
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1OC(C)C	REAL300007635512	0	38	-1.0	-44.19	322.20	3.76	-40.43
COCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635513	0	36	-1.0	-46.43	317.77	1.66	-44.77
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635514	0	28	-1.0	-40.37	270.21	3.72	-36.65
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C)C(=O)[O-])=C1C	REAL300007635515	0	33	-1.0	-52.11	283.58	4.99	-47.12
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635516	0	34	-1.0	-51.40	309.54	0.65	-50.75
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007635517	0	37	-1.0	-50.10	340.07	-0.07	-50.17
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635518	0	33	-1.0	-48.49	309.43	-1.66	-50.15
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635519	0	33	-1.0	-51.41	290.43	0.80	-50.61
CC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007635520	0	35	-1.0	-46.29	307.02	5.58	-40.71
CC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007635521	0	28	-1.0	-49.08	287.36	3.82	-45.26
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])S2)=CS1	REAL300007635522	0	31	-1.0	-45.16	312.86	2.76	-42.40
CC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007635523	0	45	-1.0	-43.40	367.40	5.78	-37.62
CC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007635524	0	36	-1.0	-46.03	316.91	6.29	-39.74
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300007635525	0	42	-1.0	-46.90	379.45	3.82	-43.08
CC(NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007635526	0	38	-1.0	-51.33	330.65	5.93	-45.40
CC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007635527	0	32	-1.0	-44.28	303.75	2.85	-41.43
CC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007635528	0	39	-1.0	-44.73	343.94	5.45	-39.28
CC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007635529	0	35	-1.0	-46.77	319.41	3.75	-43.02
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635530	0	47	-1.0	-42.29	366.33	5.04	-37.25
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007635531	0	33	-1.0	-49.80	309.76	-1.20	-51.00
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007635532	0	40	-1.0	-53.41	352.76	1.22	-52.19
CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007635533	0	38	-1.0	-47.15	325.32	4.85	-42.30
CCOCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635534	0	39	-1.0	-46.41	339.49	2.63	-43.78
CCCCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635535	0	41	-1.0	-43.19	348.51	4.76	-38.43
CC(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007635536	0	31	-1.0	-51.16	278.44	3.91	-47.25
CC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007635537	0	29	-1.0	-41.14	289.10	3.64	-37.50
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635538	0	33	-1.0	-53.01	307.48	-1.74	-54.75
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1)C(=O)[O-]	REAL300007635539	0	46	-1.0	-53.49	378.75	2.78	-50.71
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300007635540	0	44	-1.0	-53.29	363.14	-0.01	-53.30
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300007635541	0	46	-1.0	-51.71	373.74	2.47	-49.24
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635542	0	46	-1.0	-45.42	386.05	3.10	-42.32
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300007635543	0	43	-1.0	-52.75	367.93	2.08	-50.67
CC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007635544	0	31	-1.0	-43.44	295.04	3.93	-39.51
CC(NS(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1)C(=O)[O-]	REAL300007635545	0	31	-1.0	-48.68	319.34	3.48	-45.20
CC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007635546	0	37	-1.0	-46.28	327.78	4.20	-42.08
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(F)(F)F	REAL300007635547	0	31	-1.0	-42.86	287.29	3.68	-39.18
CC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007635548	0	31	-1.0	-49.23	304.68	2.91	-46.32
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(C)C(=O)[O-]	REAL300007635549	0	32	-1.0	-45.31	300.88	2.79	-42.52
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007635550	0	36	-1.0	-48.05	349.51	-0.37	-48.42
CC(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007635551	0	37	-1.0	-57.06	329.31	0.68	-56.38
CC(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007635552	0	32	-1.0	-42.34	302.11	2.69	-39.65
COC1=CC(OC)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300007635553	0	33	-1.0	-45.34	312.44	1.97	-43.37
CC(NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300007635554	0	38	-1.0	-50.35	353.92	4.34	-46.01
CC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007635555	0	33	-1.0	-50.65	296.18	2.86	-47.79
CC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007635556	0	28	-1.0	-50.36	280.73	3.71	-46.65
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635557	0	37	-1.0	-51.60	320.50	1.13	-50.47
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007635558	0	36	-1.0	-47.06	336.19	5.44	-41.62
CC(NS(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300007635559	0	31	-1.0	-57.74	321.34	3.68	-54.06
CC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007635560	0	31	-1.0	-51.78	301.20	2.83	-48.95
CC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007635561	0	31	-1.0	-48.81	314.77	3.38	-45.43
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)=CO1	REAL300007635562	0	34	-1.0	-50.80	307.46	1.15	-49.65
CC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007635563	0	28	-1.0	-48.40	272.20	1.13	-47.27
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)C(=O)[O-])C=N2)C=C1	REAL300007635564	0	35	-1.0	-46.95	315.53	3.97	-42.98
CC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007635565	0	33	-1.0	-43.44	306.63	3.28	-40.16
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)C(=O)[O-])C=N1	REAL300007635566	0	36	-1.0	-51.91	318.67	2.82	-49.09
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635567	0	33	-1.0	-44.49	293.14	4.27	-40.22
CC1=CC=C(C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007635568	0	33	-1.0	-52.98	288.40	5.16	-47.82
CC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007635569	0	33	-1.0	-42.04	293.11	4.27	-37.77
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635570	0	33	-1.0	-40.30	288.07	4.44	-35.86
CC(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007635571	0	38	-1.0	-44.39	333.14	3.74	-40.65
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)=N1	REAL300007635572	0	34	-1.0	-47.74	317.07	3.56	-44.18
CC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007635573	0	32	-1.0	-54.47	296.18	-0.06	-54.53
CC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007635574	0	34	-1.0	-50.62	293.80	2.49	-48.13
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635575	0	50	-1.0	-43.21	413.14	7.09	-36.12
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635576	0	35	-1.0	-44.65	327.10	4.35	-40.30
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635577	0	38	-1.0	-45.89	322.86	3.83	-42.06
CC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007635578	0	39	-1.0	-47.64	348.25	5.44	-42.20
CCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300007635579	0	44	-1.0	-46.39	362.47	5.13	-41.26
CCC1=NC(S(=O)(=O)NC(C)C(=O)[O-])=CN1CC1CC1	REAL300007635580	0	38	-1.0	-59.70	328.31	4.14	-55.56
CC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007635581	0	33	-1.0	-45.98	297.21	4.69	-41.29
CC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007635582	0	38	-1.0	-43.76	336.86	4.50	-39.26
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007635583	0	28	-1.0	-40.58	275.22	0.82	-39.76
CC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007635584	0	36	-1.0	-45.13	333.28	6.26	-38.87
CC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007635585	0	35	-1.0	-50.03	300.17	5.62	-44.41
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007635586	0	45	-1.0	-47.50	384.12	6.87	-40.63
CCC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=C(C)C=C1OC	REAL300007635587	0	38	-1.0	-42.97	319.90	3.90	-39.07
CC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007635588	0	31	-1.0	-40.55	303.91	4.05	-36.50
CCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300007635589	0	41	-1.0	-46.54	340.74	4.34	-42.20
CC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007635590	0	37	-1.0	-46.24	309.00	4.34	-41.90
CC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007635591	0	44	-1.0	-43.26	357.83	6.71	-36.55
CC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007635592	0	28	-1.0	-42.09	264.63	0.98	-41.11
CCCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300007635593	0	47	-1.0	-46.07	383.73	5.92	-40.15
CCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)(C)C	REAL300007635594	0	47	-1.0	-43.82	376.70	5.88	-37.94
CCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1CC	REAL300007635595	0	41	-1.0	-43.66	347.40	4.68	-38.98
COCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300007635596	0	36	-1.0	-48.34	336.40	2.24	-46.10
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C)C(=O)[O-]	REAL300007635597	0	31	-1.0	-49.10	290.91	4.00	-45.10
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635598	0	41	-1.0	-47.80	345.14	4.79	-43.01
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300007635599	0	40	-1.0	-43.67	361.72	6.03	-37.64
CC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007635600	0	36	-1.0	-47.25	302.20	0.33	-46.92
CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007635601	0	31	-1.0	-44.98	300.35	3.12	-41.86
CCCCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300007635602	0	50	-1.0	-46.21	405.47	6.69	-39.52
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C	REAL300007635603	0	41	-1.0	-43.08	335.03	4.29	-38.79
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635604	0	35	-1.0	-45.67	308.53	3.64	-42.03
CCOCCOC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1C(C)C	REAL300007635605	0	48	-1.0	-48.39	396.22	4.56	-43.83
CC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007635606	0	31	-1.0	-47.46	284.69	2.81	-44.65
CC(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007635607	0	29	-1.0	-47.57	289.21	2.77	-44.80
CC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007635608	0	38	-1.0	-46.94	321.36	3.07	-43.87
CC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1Br	REAL300007635609	0	31	-1.0	-41.22	288.33	4.32	-36.90
CC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007635610	0	31	-1.0	-41.68	302.26	3.34	-38.34
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635611	0	43	-1.0	-43.06	345.81	6.18	-36.88
CC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007635612	0	31	-1.0	-42.80	303.94	4.05	-38.75
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007635613	0	36	-1.0	-45.31	332.73	5.01	-40.30
COC1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007635614	0	34	-1.0	-62.54	295.75	3.31	-59.23
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007635615	0	30	-1.0	-41.65	283.70	1.99	-39.66
CC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007635616	0	28	-1.0	-43.11	275.97	3.16	-39.95
CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007635617	0	31	-1.0	-42.37	296.47	3.25	-39.12
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635618	0	35	-1.0	-42.36	328.91	2.95	-39.41
CC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007635619	0	25	-1.0	-44.67	251.37	2.54	-42.13
CC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007635620	0	39	-1.0	-46.44	332.73	1.34	-45.10
CC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007635621	0	40	-1.0	-42.04	328.12	4.83	-37.21
CC1=CC(C)=C(S(=O)(=O)NC(C)C(=O)[O-])C2=NC=CC=C12	REAL300007635622	0	36	-1.0	-52.98	305.41	4.55	-48.43
CC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007635623	0	33	-1.0	-45.67	286.65	2.18	-43.49
CC(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007635624	0	28	-1.0	-45.06	292.53	4.21	-40.85
CC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007635625	0	35	-1.0	-45.09	313.13	3.38	-41.71
CC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007635626	0	38	-1.0	-44.95	319.91	3.14	-41.81
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007635627	0	36	-1.0	-46.74	319.69	4.93	-41.81
CC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC(C)=C1Br	REAL300007635628	0	31	-1.0	-44.67	288.56	3.84	-40.83
CC(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007635629	0	28	-1.0	-45.06	292.53	4.21	-40.85
CC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007635630	0	35	-1.0	-49.28	306.91	3.64	-45.64
CC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007635631	0	29	-1.0	-47.16	284.73	3.94	-43.22
CC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007635632	0	29	-1.0	-47.12	284.73	3.95	-43.17
CC1=NC(S(=O)(=O)NC(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007635633	0	34	-1.0	-56.66	310.37	1.44	-55.22
CC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007635634	0	42	-1.0	-42.53	309.35	5.06	-37.47
CC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007635635	0	29	-1.0	-56.07	278.28	1.12	-54.95
CC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007635636	0	35	-1.0	-52.04	313.60	4.98	-47.06
CC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007635637	0	47	-1.0	-47.44	360.42	6.27	-41.17
CC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007635638	0	29	-1.0	-43.19	278.86	2.50	-40.69
CC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007635639	0	29	-1.0	-49.03	276.53	1.72	-47.31
CC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007635640	0	34	-1.0	-45.57	309.70	2.57	-43.00
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635641	0	38	-1.0	-48.16	321.84	4.47	-43.69
CC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007635642	0	36	-1.0	-45.95	323.08	5.09	-40.86
CC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007635643	0	26	-1.0	-48.81	273.71	0.91	-47.90
CC1=C(S(=O)(=O)NC(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300007635644	0	29	-1.0	-47.99	271.87	1.61	-46.38
CC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007635645	0	31	-1.0	-46.47	293.48	4.88	-41.59
CC(NS(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007635646	0	34	-1.0	-40.33	325.35	4.55	-35.78
CC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007635647	0	35	-1.0	-43.53	323.61	6.10	-37.43
CC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007635648	0	24	-1.0	-48.77	261.82	0.14	-48.63
CCC1=CC(S(=O)(=O)NC(C)C(=O)[O-])=CC=C1Br	REAL300007635649	0	31	-1.0	-41.46	291.89	4.04	-37.42
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635650	0	38	-1.0	-43.64	320.24	3.41	-40.23
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635651	0	39	-1.0	-51.72	336.74	2.44	-49.28
CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007635652	0	31	-1.0	-46.62	293.10	5.06	-41.56
CC(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300007635653	0	31	-1.0	-47.17	295.90	1.91	-45.26
CC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007635654	0	40	-1.0	-43.73	334.58	2.55	-41.18
CC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007635655	0	35	-1.0	-43.81	295.28	-0.04	-43.85
CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007635656	0	30	-1.0	-42.03	283.96	4.35	-37.68
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1	REAL300007635657	0	39	-1.0	-46.63	339.68	5.65	-40.98
CC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007635658	0	28	-1.0	-42.34	265.05	1.85	-40.49
CC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007635659	0	33	-1.0	-51.18	288.74	-2.07	-53.25
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C=C2)C=C1	REAL300007635660	0	48	-1.0	-44.52	404.31	7.37	-37.15
COC1=CC=C(S(=O)(=O)NC(C)C(=O)[O-])C(C(F)F)=C1	REAL300007635661	0	32	-1.0	-47.35	281.26	2.91	-44.44
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007635662	0	31	-1.0	-42.66	299.00	0.33	-42.33
CC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007635663	0	32	-1.0	-47.38	306.77	3.15	-44.23
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)C(=O)[O-])=C1	REAL300007635664	0	38	-1.0	-48.24	323.49	4.23	-44.01
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC=C1	REAL300007635665	0	35	-1.0	-58.82	309.80	6.93	-51.89
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(F)=C1	REAL300007635666	0	35	-1.0	-59.33	317.49	7.10	-52.23
CC(=O)C1=CC=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635667	0	40	-1.0	-66.36	353.86	7.51	-58.85
CCCCN(C)S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635668	0	42	-1.0	-57.84	346.50	6.42	-51.42
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CS1	REAL300007635669	0	32	-1.0	-58.58	301.39	6.03	-52.55
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CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(Cl)S1	REAL300007635672	0	32	-1.0	-57.49	320.07	6.66	-50.83
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CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007635675	0	39	-1.0	-59.24	350.11	7.39	-51.85
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)N1CCOCC1	REAL300007635676	0	38	-1.0	-59.29	320.94	3.80	-55.49
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007635677	0	41	-1.0	-65.03	370.49	4.46	-60.57
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007635678	0	39	-1.0	-58.05	355.45	6.82	-51.23
COC1=CC(C)=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300007635679	0	46	-1.0	-61.76	379.07	6.61	-55.15
CC1=CC(Cl)=CC=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635680	0	38	-1.0	-58.01	337.04	7.91	-50.10
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN(C)N=C1	REAL300007635681	0	35	-1.0	-61.77	315.63	4.75	-57.02
CCN(CC)S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635682	0	39	-1.0	-58.23	324.25	5.74	-52.49
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)N(C)C1CCCCC1	REAL300007635683	0	46	-1.0	-57.79	366.11	7.40	-50.39
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CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007635685	0	51	-1.0	-57.76	411.66	10.73	-47.03
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007635686	0	41	-1.0	-60.62	353.95	6.18	-54.44
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CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC=C1Br	REAL300007635688	0	35	-1.0	-52.13	318.13	7.21	-44.92
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007635689	0	35	-1.0	-58.84	332.38	7.65	-51.19
CC1=NNC=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635690	0	35	-1.0	-60.21	303.48	3.87	-56.34
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CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007635692	0	41	-1.0	-53.15	370.92	8.81	-44.34
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635693	0	45	-1.0	-57.59	392.21	3.35	-54.24
CC(C)C(=O)C1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007635694	0	46	-1.0	-60.75	392.41	8.79	-51.96
CC1=CC(F)=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635695	0	38	-1.0	-58.39	337.29	7.76	-50.63
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007635696	0	41	-1.0	-61.10	356.76	7.54	-53.56
COCC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007635697	0	42	-1.0	-59.84	364.85	6.67	-53.17
CCOC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300007635698	0	41	-1.0	-58.43	358.49	4.64	-53.79
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007635699	0	44	-1.0	-71.67	394.82	5.14	-66.53
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCCS(C)(=O)=O	REAL300007635700	0	40	-1.0	-60.00	357.93	2.83	-57.17
COC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C(C)=C1C	REAL300007635701	0	45	-1.0	-59.97	366.02	7.33	-52.64
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007635702	0	38	-1.0	-63.28	355.64	8.40	-54.88
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007635703	0	40	-1.0	-61.50	350.44	7.41	-54.09
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1=NOC=C1	REAL300007635704	0	34	-1.0	-66.73	309.39	5.05	-61.68
CC1=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=NN1C	REAL300007635705	0	38	-1.0	-62.48	324.21	5.02	-57.46
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007635706	0	45	-1.0	-65.92	384.46	2.70	-63.22
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)N(C)C1CCOCC1	REAL300007635707	0	44	-1.0	-58.51	356.83	5.00	-53.51
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)N1CC2CCC1C2	REAL300007635708	0	41	-1.0	-59.10	338.49	6.59	-52.51
CC1=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=NN1C1=CC=CC=N1	REAL300007635709	0	44	-1.0	-63.12	377.96	8.26	-54.86
CCN1N=C(C)C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300007635710	0	44	-1.0	-60.73	366.74	6.86	-53.87
CC(C)N1C=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300007635711	0	41	-1.0	-60.48	354.21	6.10	-54.38
CC(C)CN1C=NC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635712	0	44	-1.0	-64.23	375.63	8.01	-56.22
CC(C)N1C=NC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635713	0	41	-1.0	-63.84	356.53	7.43	-56.41
CC(C)C1=NC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=CN1	REAL300007635714	0	41	-1.0	-63.52	353.25	5.48	-58.04
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007635715	0	47	-1.0	-60.08	365.68	9.96	-50.12
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007635716	0	43	-1.0	-70.49	377.59	6.44	-64.05
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1CCCOC1	REAL300007635717	0	42	-1.0	-52.21	342.79	5.54	-46.67
COC1=CC(Cl)=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300007635718	0	43	-1.0	-56.38	374.64	6.34	-50.04
CC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1Br	REAL300007635719	0	38	-1.0	-58.92	350.62	8.22	-50.70
CC1=C(F)C=CC=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635720	0	38	-1.0	-57.95	322.41	7.52	-50.43
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007635721	0	41	-1.0	-63.73	367.80	10.02	-53.71
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007635722	0	39	-1.0	-60.71	356.59	6.67	-54.04
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635723	0	50	-1.0	-60.23	406.58	8.40	-51.83
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007635724	0	38	-1.0	-60.10	343.96	7.87	-52.23
COCC1=CC=C(OC)C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635725	0	46	-1.0	-62.34	387.02	6.60	-55.74
COCCC(C)S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635726	0	41	-1.0	-62.15	340.30	5.32	-56.83
COC1=CC=C(F)C=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635727	0	39	-1.0	-60.51	338.35	6.95	-53.56
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635728	0	46	-1.0	-60.65	393.00	7.25	-53.40
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007635729	0	53	-1.0	-51.22	388.95	8.10	-43.12
CC1=NC2=C(S(=O)(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)C=CC=C2C=C1	REAL300007635730	0	43	-1.0	-64.02	365.62	8.64	-55.38
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007635731	0	43	-1.0	-67.47	375.37	8.94	-58.53
CCN(CC1CC1)S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635732	0	43	-1.0	-57.77	360.63	7.49	-50.28
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007635733	0	46	-1.0	-60.80	386.61	5.56	-55.24
CCCN1C=NC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635734	0	41	-1.0	-63.80	356.78	7.79	-56.01
COCCOCCOCCS(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635735	0	49	-1.0	-57.92	417.42	4.12	-53.80
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCOCC1CC1	REAL300007635736	0	42	-1.0	-60.53	361.65	6.36	-54.17
CC(COC1CCCC1)CS(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635737	0	51	-1.0	-52.00	409.50	8.18	-43.82
COCC(C)CS(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635738	0	41	-1.0	-52.05	342.95	5.12	-46.93
CCOCC(C)CS(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635739	0	44	-1.0	-51.95	364.81	6.10	-45.85
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007635740	0	43	-1.0	-60.45	367.50	4.77	-55.68
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007635741	0	39	-1.0	-59.71	349.79	7.22	-52.49
COC1=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=CC=C1[N+](=O)[O-]	REAL300007635742	0	41	-1.0	-61.60	366.64	7.77	-53.83
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635743	0	41	-1.0	-58.25	359.37	8.42	-49.83
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635744	0	41	-1.0	-60.58	359.48	8.41	-52.17
CC1=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=CC=C1C(F)(F)F	REAL300007635745	0	41	-1.0	-57.84	367.45	8.48	-49.36
CC(C)C1=CC=CC=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635746	0	44	-1.0	-59.18	354.30	8.56	-50.62
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCCN1CCOCC1	REAL300007635747	0	47	-1.0	-53.10	382.62	3.77	-49.33
CCOC1=CC=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635748	0	42	-1.0	-60.57	362.44	7.25	-53.32
COCCN1C=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300007635749	0	42	-1.0	-60.86	369.20	4.64	-56.22
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCC(C)(C)C	REAL300007635750	0	43	-1.0	-51.80	349.52	6.98	-44.82
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007635751	0	42	-1.0	-63.01	374.14	7.50	-55.51
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007635752	0	43	-1.0	-59.14	382.41	8.97	-50.17
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007635753	0	40	-1.0	-61.15	350.66	7.38	-53.77
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007635754	0	38	-1.0	-54.42	354.06	8.14	-46.28
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1=CC=CC=C1Br	REAL300007635755	0	38	-1.0	-53.98	349.48	8.08	-45.90
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007635756	0	42	-1.0	-72.67	375.73	4.90	-67.77
CC1CCN(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C1	REAL300007635757	0	40	-1.0	-58.76	335.64	5.97	-52.79
CC1=CC(Br)=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635758	0	38	-1.0	-57.94	352.18	8.31	-49.63
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635759	0	38	-1.0	-57.58	335.48	7.98	-49.60
COCC1=CC=CC=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635760	0	42	-1.0	-61.46	358.33	7.27	-54.19
COC1=CC(OC)=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300007635761	0	43	-1.0	-60.90	377.45	6.76	-54.14
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007635762	0	38	-1.0	-63.21	353.42	6.09	-57.12
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007635763	0	38	-1.0	-61.12	348.52	5.88	-55.24
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007635764	0	46	-1.0	-59.19	386.90	8.28	-50.91
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007635765	0	38	-1.0	-60.41	345.81	6.12	-54.29
CSC1=CC=CC=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635766	0	39	-1.0	-53.46	338.42	7.60	-45.86
CCC1=CC=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635767	0	41	-1.0	-59.31	353.98	8.46	-50.85
CCC1=CC=C(CS(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007635768	0	44	-1.0	-63.00	377.24	9.21	-53.79
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCC1=CC=CS1	REAL300007635769	0	38	-1.0	-53.92	344.42	7.39	-46.53
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635770	0	44	-1.0	-65.03	393.29	5.45	-59.58
CC1=CC=C(CS(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300007635771	0	44	-1.0	-54.66	371.18	8.73	-45.93
CC(C)CN(C)S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635772	0	42	-1.0	-50.50	338.12	6.23	-44.27
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)N(C)C1CCCC1	REAL300007635773	0	43	-1.0	-57.96	348.72	6.77	-51.19
CCCN(C)S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635774	0	39	-1.0	-57.89	324.36	5.59	-52.30
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)N1CCOC(C)(C)C1	REAL300007635775	0	44	-1.0	-57.90	355.61	5.22	-52.68
CC1=NOC(CS(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635776	0	37	-1.0	-57.47	329.68	5.68	-51.79
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)=CC=C21	REAL300007635777	0	47	-1.0	-60.77	400.18	8.55	-52.22
CCS(=O)(=O)NCCS(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635778	0	42	-1.0	-60.43	372.79	1.54	-58.89
CC1=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)OC2=CC=C(F)C=C12	REAL300007635779	0	41	-1.0	-58.92	362.78	8.29	-50.63
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007635780	0	38	-1.0	-58.03	365.08	8.96	-49.07
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007635781	0	38	-1.0	-58.23	358.00	8.68	-49.55
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007635782	0	41	-1.0	-61.10	360.71	9.49	-51.61
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCC1CCCO1	REAL300007635783	0	42	-1.0	-55.49	350.70	5.61	-49.88
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007635784	0	41	-1.0	-61.02	370.77	8.72	-52.30
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007635785	0	46	-1.0	-63.87	391.75	8.40	-55.47
CC1=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC(C)=C2S1	REAL300007635786	0	44	-1.0	-58.57	376.51	9.87	-48.70
CC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1N(C)C	REAL300007635787	0	46	-1.0	-58.59	384.07	7.68	-50.91
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007635788	0	40	-1.0	-62.63	344.15	3.98	-58.65
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCOCC1CCCC1	REAL300007635789	0	48	-1.0	-55.01	393.68	7.26	-47.75
COC1=CC(C)=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300007635790	0	42	-1.0	-60.65	362.60	7.34	-53.31
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007635791	0	44	-1.0	-61.76	393.44	5.03	-56.73
CSC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1Cl	REAL300007635792	0	39	-1.0	-59.47	366.33	8.50	-50.97
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635793	0	47	-1.0	-59.64	381.81	7.49	-52.15
COC(C)CS(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635794	0	38	-1.0	-53.58	325.57	4.51	-49.07
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007635795	0	43	-1.0	-61.88	380.60	5.59	-56.29
CCC1=NOC2=NC=C(S(=O)(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)C=C12	REAL300007635796	0	42	-1.0	-62.56	372.33	4.74	-57.82
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007635797	0	40	-1.0	-61.78	355.44	6.17	-55.61
CCC1=CC(CC)=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C(CC)=C1	REAL300007635798	0	53	-1.0	-57.51	415.86	11.23	-46.28
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007635799	0	42	-1.0	-64.46	355.24	7.07	-57.39
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007635800	0	44	-1.0	-68.34	377.26	10.96	-57.38
COC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C(C)=C1F	REAL300007635801	0	42	-1.0	-59.91	354.82	6.74	-53.17
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1(C)CCCCC1	REAL300007635802	0	47	-1.0	-50.98	358.77	8.29	-42.69
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007635803	0	44	-1.0	-55.83	367.62	8.06	-47.77
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007635805	0	43	-1.0	-60.12	382.41	8.26	-51.86
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN=NN1C	REAL300007635806	0	34	-1.0	-59.37	304.51	3.50	-55.87
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635807	0	42	-1.0	-59.32	381.26	7.26	-52.06
CC1=CC=C(CS(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C(F)=C1	REAL300007635808	0	41	-1.0	-56.72	359.41	8.23	-48.49
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007635810	0	35	-1.0	-57.35	342.02	7.22	-50.13
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007635811	0	48	-1.0	-55.13	397.75	10.10	-45.03
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007635812	0	46	-1.0	-55.87	390.89	7.54	-48.33
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCC1CCC1	REAL300007635813	0	41	-1.0	-52.00	342.58	7.36	-44.64
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCCC(C)(C)C	REAL300007635814	0	46	-1.0	-51.78	371.02	7.74	-44.04
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007635815	0	44	-1.0	-72.02	371.75	4.22	-67.80
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007635816	0	38	-1.0	-58.94	345.63	7.48	-51.46
CC1=C(CCS(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)SC=N1	REAL300007635817	0	40	-1.0	-55.02	358.16	6.04	-48.98
COCC1(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300007635818	0	39	-1.0	-60.60	324.73	6.48	-54.12
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC12CCC(CC1)C2	REAL300007635819	0	45	-1.0	-62.17	359.14	8.44	-53.73
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1CC(F)(F)C1	REAL300007635820	0	38	-1.0	-52.58	334.30	6.76	-45.82
COC1=CC=C2C=C(S(=O)(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)CCC2=C1	REAL300007635821	0	47	-1.0	-55.16	392.47	8.45	-46.71
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC12CCC(CC1)CC2	REAL300007635822	0	48	-1.0	-51.28	366.36	8.80	-42.48
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCC1CCOC1	REAL300007635823	0	42	-1.0	-53.29	348.23	5.30	-47.99
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007635824	0	46	-1.0	-59.91	382.19	3.91	-56.00
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1CCCCC1(F)F	REAL300007635825	0	44	-1.0	-59.64	363.67	8.21	-51.43
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007635826	0	42	-1.0	-61.06	359.59	9.17	-51.89
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=NN(C)C=C1	REAL300007635827	0	35	-1.0	-63.67	315.97	4.57	-59.10
CCC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300007635828	0	43	-1.0	-62.77	373.54	8.85	-53.92
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007635829	0	35	-1.0	-57.32	326.51	7.46	-49.86
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007635830	0	35	-1.0	-57.26	331.07	7.57	-49.69
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007635831	0	37	-1.0	-59.10	338.01	7.61	-51.49
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007635832	0	41	-1.0	-59.73	355.41	9.30	-50.43
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007635833	0	37	-1.0	-62.55	339.30	7.70	-54.85
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635834	0	40	-1.0	-64.21	348.59	8.07	-56.14
COC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007635835	0	39	-1.0	-59.00	339.27	6.24	-52.76
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007635836	0	37	-1.0	-75.75	328.72	8.73	-67.02
CC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007635837	0	38	-1.0	-59.31	332.49	7.70	-51.61
CCOC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007635838	0	42	-1.0	-58.69	361.13	7.17	-51.52
CC1=CC(C)=C(C)C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1C	REAL300007635839	0	47	-1.0	-58.19	366.89	9.39	-48.80
CC1=CC(C)=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300007635840	0	44	-1.0	-57.98	354.10	9.02	-48.96
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635841	0	50	-1.0	-58.68	394.36	9.64	-49.04
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007635842	0	38	-1.0	-59.56	349.82	8.03	-51.53
CC1=CC=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635843	0	38	-1.0	-59.41	332.50	7.69	-51.72
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C=CC1=CC=CC=C1	REAL300007635844	0	39	-1.0	-55.37	343.13	8.05	-47.32
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007635845	0	38	-1.0	-66.41	338.39	8.46	-57.95
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007635846	0	35	-1.0	-58.92	327.81	7.55	-51.37
CC(=O)C1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007635847	0	40	-1.0	-61.82	352.54	7.44	-54.38
CC1=CC=C(C)C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635848	0	41	-1.0	-59.82	341.83	8.07	-51.75
CC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1C	REAL300007635849	0	41	-1.0	-59.32	351.45	8.17	-51.15
CC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300007635850	0	41	-1.0	-59.59	341.72	8.06	-51.53
COC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300007635851	0	41	-1.0	-64.49	364.98	7.77	-56.72
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007635852	0	47	-1.0	-58.06	386.02	9.25	-48.81
CC(C)C1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007635853	0	44	-1.0	-58.19	370.01	8.87	-49.32
CCCC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007635854	0	44	-1.0	-58.25	374.17	9.16	-49.09
COC1=CC=CC=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635855	0	39	-1.0	-61.14	333.62	6.90	-54.24
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1=CC=CC=C1	REAL300007635856	0	38	-1.0	-54.27	332.68	7.52	-46.75
CC1=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=CC=C1Br	REAL300007635857	0	38	-1.0	-57.71	352.52	8.15	-49.56
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007635858	0	39	-1.0	-57.52	355.76	6.75	-50.77
CC1=C(C)C(C)=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C(C)=C1C	REAL300007635859	0	50	-1.0	-57.37	380.01	9.73	-47.64
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007635860	0	44	-1.0	-61.82	373.91	6.98	-54.84
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635861	0	51	-1.0	-60.41	408.13	9.20	-51.21
CC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300007635862	0	40	-1.0	-61.84	353.67	8.22	-53.62
CC1=NNC(C)=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635863	0	38	-1.0	-59.66	323.53	4.75	-54.91
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635864	0	53	-1.0	-56.59	409.34	10.73	-45.86
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007635865	0	38	-1.0	-58.31	349.82	8.03	-50.28
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007635866	0	45	-1.0	-59.20	373.85	9.52	-49.68
COC1=CC=C(OC)C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635867	0	43	-1.0	-62.21	361.41	6.17	-56.04
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CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1CCCC1	REAL300007635944	0	41	-1.0	-51.40	335.91	7.22	-44.18
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CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007635963	0	43	-1.0	-65.12	383.75	3.74	-61.38
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007635964	0	38	-1.0	-55.16	339.18	7.59	-47.57
CC1=CC=CC=C1CS(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635965	0	41	-1.0	-54.11	348.48	8.10	-46.01
CCOC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300007635966	0	48	-1.0	-60.13	394.21	9.27	-50.86
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635967	0	45	-1.0	-60.92	376.75	8.47	-52.45
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007635968	0	40	-1.0	-69.87	361.31	7.16	-62.71
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007635969	0	42	-1.0	-61.46	370.02	8.13	-53.33
CCOCCOC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007635970	0	49	-1.0	-60.68	416.61	7.41	-53.27
CCCCCOC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007635971	0	51	-1.0	-58.16	425.63	9.53	-48.63
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007635972	0	45	-1.0	-62.62	368.93	9.82	-52.80
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007635973	0	41	-1.0	-54.84	357.39	8.60	-46.24
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007635974	0	40	-1.0	-59.56	347.06	6.33	-53.23
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007635975	0	43	-1.0	-59.90	372.66	8.06	-51.84
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007635976	0	41	-1.0	-72.57	350.13	3.36	-69.21
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007635977	0	40	-1.0	-65.06	358.08	7.12	-57.94
CCOC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300007635978	0	45	-1.0	-58.74	369.35	7.57	-51.17
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635979	0	43	-1.0	-64.50	387.74	3.20	-61.30
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007635980	0	39	-1.0	-60.28	341.72	7.15	-53.13
CSC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007635981	0	39	-1.0	-58.58	349.99	7.98	-50.60
CCCCCCCS(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635982	0	46	-1.0	-51.88	380.27	8.40	-43.48
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007635983	0	41	-1.0	-55.25	371.48	8.51	-46.74
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635984	0	46	-1.0	-60.37	379.63	8.78	-51.59
CCN1C=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)N=C1C	REAL300007635985	0	41	-1.0	-64.65	355.00	6.83	-57.82
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007635986	0	41	-1.0	-60.81	346.73	6.66	-54.15
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007635987	0	40	-1.0	-60.56	339.11	7.12	-53.44
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1CCCO1	REAL300007635988	0	39	-1.0	-53.26	328.39	5.12	-48.14
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1CCCCO1	REAL300007635989	0	42	-1.0	-63.80	348.54	6.06	-57.74
CC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=C1C(F)(F)F	REAL300007635990	0	41	-1.0	-59.39	367.45	8.49	-50.90
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007635991	0	44	-1.0	-62.35	375.97	8.62	-53.73
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)CC3=CC=C(C(=O)[O-])C=C3)C=C12	REAL300007635992	0	43	-1.0	-60.98	375.70	6.76	-54.22
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635993	0	42	-1.0	-54.92	377.58	7.40	-47.52
COCC1=CC=CC(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300007635994	0	42	-1.0	-60.65	364.52	6.75	-53.90
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007635995	0	46	-1.0	-61.36	384.88	8.36	-53.00
CCN1C=C(S(=O)(=O)N(C)CC2=CC=C(C(=O)[O-])C=C2)C=N1	REAL300007635996	0	38	-1.0	-61.03	335.53	5.59	-55.44
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007635997	0	38	-1.0	-54.16	346.28	7.96	-46.20
CC(C1CC1)N(C)S(=O)(=O)N(C)CC1=CC=C(C(=O)[O-])C=C1	REAL300007635998	0	43	-1.0	-58.27	351.91	7.01	-51.26
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)C1=CC=NN1C	REAL300007635999	0	35	-1.0	-60.53	309.64	4.69	-55.84
CN(CC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007636000	0	38	-1.0	-54.84	357.69	8.33	-46.51
COC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637585	0	35	-1.0	-51.16	297.40	4.47	-46.69
CC1=C(Br)C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007637586	0	36	-1.0	-47.55	331.16	6.72	-40.83
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637587	0	42	-1.0	-54.12	351.75	4.58	-49.54
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C	REAL300007637588	0	42	-1.0	-53.06	357.68	1.51	-51.55
CC(CN(C)S(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007637589	0	49	-1.0	-46.10	353.72	6.65	-39.45
CC1=NC2=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=CC=C2C=C1	REAL300007637590	0	39	-1.0	-60.18	320.37	6.03	-54.15
CC(CN(C)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007637591	0	39	-1.0	-51.79	332.24	6.38	-45.41
CC(CN(C)S(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007637592	0	42	-1.0	-49.87	343.84	3.51	-46.36
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637593	0	45	-1.0	-57.09	382.57	5.64	-51.45
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637594	0	45	-1.0	-56.15	379.49	5.77	-50.38
COCCOCCOCCS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637595	0	45	-1.0	-53.97	377.73	1.81	-52.16
CC(COC1CCCC1)CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637596	0	47	-1.0	-51.47	369.79	5.79	-45.68
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007637597	0	46	-1.0	-59.53	386.26	5.99	-53.54
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637598	0	38	-1.0	-46.59	334.63	5.22	-41.37
CC(CN(C)S(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007637599	0	39	-1.0	-47.30	324.73	2.72	-44.58
COC1=CC(Br)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637600	0	35	-1.0	-46.98	316.60	4.88	-42.10
CC(CN(C)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007637601	0	35	-1.0	-47.01	307.15	4.74	-42.27
COC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007637602	0	37	-1.0	-48.98	321.90	5.17	-43.81
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637603	0	37	-1.0	-45.61	312.62	6.43	-39.18
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637604	0	37	-1.0	-53.29	315.94	6.07	-47.22
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007637605	0	37	-1.0	-46.82	320.81	5.94	-40.88
CC(CN(C)S(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007637606	0	43	-1.0	-53.40	342.67	1.57	-51.83
CCOC1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637607	0	38	-1.0	-54.16	317.74	4.65	-49.51
COCCN1C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=N1	REAL300007637608	0	38	-1.0	-47.40	325.56	2.56	-44.84
CC(CN(C)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007637609	0	38	-1.0	-53.08	331.64	5.48	-47.60
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1C	REAL300007637610	0	58	-1.0	-49.77	453.13	9.57	-40.20
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300007637611	0	45	-1.0	-51.53	386.72	2.85	-48.68
CC(CN(C)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007637612	0	39	-1.0	-54.01	341.55	6.64	-47.37
CC(CN(C)S(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007637613	0	36	-1.0	-55.25	310.81	4.93	-50.32
CC(CN(C)S(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007637614	0	34	-1.0	-48.92	311.32	5.78	-43.14
CC(CN(C)S(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007637615	0	34	-1.0	-53.75	308.65	5.75	-48.00
CC(CN(C)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007637616	0	38	-1.0	-57.77	330.78	2.29	-55.48
CC1=CC(Br)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637617	0	34	-1.0	-47.48	308.51	6.24	-41.24
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637618	0	34	-1.0	-48.47	294.77	5.62	-42.85
COCC1=CC=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637619	0	38	-1.0	-48.32	315.28	5.12	-43.20
COC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1Br	REAL300007637620	0	35	-1.0	-47.34	317.20	4.42	-42.92
COC1=CC(OC)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Cl	REAL300007637621	0	39	-1.0	-53.14	336.70	4.28	-48.86
CC(CN(C)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007637622	0	34	-1.0	-49.66	310.64	4.03	-45.63
CC(CN(C)S(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007637623	0	34	-1.0	-48.66	304.88	3.80	-44.86
CC(CN(C)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007637624	0	42	-1.0	-47.63	343.27	6.21	-41.42
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007637625	0	34	-1.0	-54.57	303.05	4.07	-50.50
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637626	0	42	-1.0	-58.35	346.61	3.76	-54.59
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1I	REAL300007637627	0	34	-1.0	-46.08	311.73	6.06	-40.02
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637628	0	43	-1.0	-53.87	371.76	4.19	-49.68
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637629	0	48	-1.0	-54.10	407.48	4.62	-49.48
CSC1=CC=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637630	0	35	-1.0	-51.80	299.90	5.50	-46.30
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637631	0	48	-1.0	-55.49	410.18	3.45	-52.04
CC(CN(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007637632	0	39	-1.0	-53.35	345.20	1.21	-52.14
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])S1	REAL300007637633	0	45	-1.0	-57.90	403.86	2.15	-55.75
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(OC)=C1	REAL300007637634	0	46	-1.0	-53.58	383.09	2.44	-51.14
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(F)=C1	REAL300007637635	0	45	-1.0	-58.37	383.45	3.28	-55.09
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637636	0	45	-1.0	-51.29	386.43	2.73	-48.56
CC(CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007637637	0	42	-1.0	-63.40	355.55	4.89	-58.51
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300007637638	0	45	-1.0	-52.16	388.17	2.89	-49.27
CC(CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007637639	0	46	-1.0	-56.26	374.37	6.01	-50.25
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300007637640	0	42	-1.0	-52.38	366.67	2.09	-50.29
CC(CN(C)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007637641	0	46	-1.0	-47.13	380.12	4.86	-42.27
CC(CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007637642	0	43	-1.0	-52.52	361.60	4.77	-47.75
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637643	0	40	-1.0	-53.81	348.55	2.84	-50.97
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637644	0	41	-1.0	-61.75	352.78	1.95	-59.80
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Br	REAL300007637645	0	38	-1.0	-52.46	339.05	5.34	-47.12
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007637646	0	45	-1.0	-49.08	374.55	7.48	-41.60
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007637647	0	35	-1.0	-48.30	318.56	5.22	-43.08
CC(CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007637648	0	37	-1.0	-48.95	348.56	3.10	-45.85
COC1=CC=C(Br)C(CS(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637649	0	38	-1.0	-53.18	338.10	5.06	-48.12
CC(CN(C)S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007637650	0	45	-1.0	-50.60	378.20	6.34	-44.26
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637651	0	38	-1.0	-51.01	330.50	5.59	-45.42
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C21	REAL300007637652	0	43	-1.0	-49.06	356.53	6.49	-42.57
CCS(=O)(=O)NCCS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637653	0	38	-1.0	-57.24	333.05	-0.73	-57.97
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007637654	0	37	-1.0	-53.26	321.28	5.84	-47.42
CC(CN(C)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007637655	0	34	-1.0	-47.37	322.32	6.90	-40.47
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007637656	0	37	-1.0	-55.39	333.73	7.29	-48.10
CC(CN(C)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007637657	0	34	-1.0	-47.00	315.86	6.16	-40.84
CC(CN(C)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007637658	0	37	-1.0	-52.98	319.82	7.02	-45.96
CC(CN(C)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007637659	0	37	-1.0	-49.91	329.09	6.76	-43.15
CC(CN(C)S(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007637660	0	42	-1.0	-53.17	349.22	5.80	-47.37
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007637661	0	45	-1.0	-53.41	373.39	7.82	-45.59
CC(CN(C)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007637662	0	44	-1.0	-56.82	374.69	6.01	-50.81
CC(CN(C)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007637663	0	42	-1.0	-58.67	368.08	1.54	-57.13
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007637664	0	40	-1.0	-53.57	336.28	7.35	-46.22
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1N(C)C	REAL300007637665	0	42	-1.0	-50.34	342.17	5.12	-45.22
CC(CN(C)S(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007637666	0	37	-1.0	-48.33	328.62	6.42	-41.91
CC(CN(C)S(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007637667	0	36	-1.0	-51.39	300.49	1.92	-49.47
CC(CN(C)S(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007637668	0	44	-1.0	-48.89	351.90	4.94	-43.95
COC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Cl	REAL300007637669	0	38	-1.0	-53.76	322.39	4.90	-48.86
CC(CN(C)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007637670	0	40	-1.0	-59.05	351.61	2.71	-56.34
CSC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Cl	REAL300007637671	0	35	-1.0	-52.13	321.58	5.90	-46.23
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637672	0	43	-1.0	-47.46	335.05	5.25	-42.21
CC(CN(C)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007637673	0	39	-1.0	-50.01	337.84	3.52	-46.49
CCC1=NOC2=NC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C12	REAL300007637674	0	38	-1.0	-50.36	328.53	2.65	-47.71
CC(CN(C)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007637675	0	42	-1.0	-46.81	362.31	4.78	-42.03
CC(CN(C)S(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007637676	0	36	-1.0	-47.94	310.17	4.09	-43.85
CC(CN(C)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007637677	0	37	-1.0	-48.71	334.43	7.33	-41.38
CCC1=CC(CC)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(CC)=C1	REAL300007637678	0	49	-1.0	-47.38	367.59	9.12	-38.26
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637679	1	46	-1.0	-49.49	379.37	2.00	-47.49
CC(CN(C)S(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007637680	0	38	-1.0	-57.47	312.47	5.01	-52.46
CC(CN(C)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007637681	0	37	-1.0	-45.85	334.42	3.03	-42.82
CC(CN(C)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007637682	0	40	-1.0	-57.57	337.52	8.74	-48.83
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1F	REAL300007637683	0	38	-1.0	-52.59	311.60	4.31	-48.28
CC(CN(C)S(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007637684	0	40	-1.0	-51.30	328.27	5.87	-45.43
CC(CN(C)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007637686	0	39	-1.0	-50.78	338.34	5.81	-44.97
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637687	0	38	-1.0	-48.20	339.09	5.17	-43.03
CC1=CC=C(CS(=O)(=O)N(C)CC(C)C(=O)[O-])C(F)=C1	REAL300007637688	0	37	-1.0	-52.58	319.79	5.92	-46.66
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007637690	0	31	-1.0	-49.48	301.12	4.71	-44.77
CC(CN(C)S(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007637691	0	44	-1.0	-53.34	357.73	7.90	-45.44
CC(CN(C)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007637692	0	42	-1.0	-57.50	350.79	5.18	-52.32
CC(CN(C)S(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007637693	0	40	-1.0	-61.78	329.04	1.71	-60.07
CC(CN(C)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007637694	0	34	-1.0	-52.26	304.72	4.99	-47.27
CC1=C(CCS(=O)(=O)N(C)CC(C)C(=O)[O-])SC=N1	REAL300007637695	0	36	-1.0	-50.68	315.94	3.70	-46.98
COC1=CC=C2C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])CCC2=C1	REAL300007637696	0	43	-1.0	-48.56	350.82	6.55	-42.01
CC(CN(C)S(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007637697	0	44	-1.0	-52.41	326.41	6.61	-45.80
CC(CN(C)S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007637698	0	42	-1.0	-58.27	342.24	1.61	-56.66
CC(CN(C)S(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007637699	0	40	-1.0	-51.49	323.11	5.68	-45.81
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C12	REAL300007637700	0	46	-1.0	-52.71	389.19	8.23	-44.48
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C12	REAL300007637701	0	50	-1.0	-48.20	407.32	5.73	-42.47
CCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007637702	0	39	-1.0	-60.43	329.95	6.25	-54.18
CC(CN(C)S(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007637703	0	31	-1.0	-46.12	289.39	5.60	-40.52
CC(CN(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007637704	0	33	-1.0	-47.76	294.60	5.09	-42.67
CC(CN(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007637705	0	37	-1.0	-51.60	313.18	6.72	-44.88
CC(CN(C)S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007637706	0	33	-1.0	-58.81	294.60	5.09	-53.72
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637707	0	36	-1.0	-50.22	305.38	5.65	-44.57
CC(CN(C)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007637708	0	33	-1.0	-60.44	286.89	6.70	-53.74
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637709	0	38	-1.0	-52.80	335.01	5.97	-46.83
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637710	0	38	-1.0	-48.16	318.63	5.16	-43.00
CC1=CC(C)=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1C	REAL300007637711	0	43	-1.0	-48.22	319.63	6.65	-41.57
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637712	0	46	-1.0	-50.11	352.36	7.27	-42.84
CC(CN(C)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007637713	0	34	-1.0	-52.86	306.35	5.47	-47.39
CC(CN(C)S(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007637714	0	34	-1.0	-51.55	296.15	6.41	-45.14
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007637715	0	37	-1.0	-46.62	322.79	5.19	-41.43
CC(CN(C)S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007637716	0	43	-1.0	-47.93	344.30	7.30	-40.63
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637717	0	48	-1.0	-51.53	404.85	4.69	-46.84
CC(CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007637718	0	42	-1.0	-51.20	362.03	2.97	-48.23
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Br	REAL300007637719	0	35	-1.0	-52.38	316.29	4.39	-47.99
CC(CN(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007637720	0	37	-1.0	-44.37	344.48	7.00	-37.37
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1Br	REAL300007637721	0	34	-1.0	-47.19	306.78	5.65	-41.54
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2)=C1	REAL300007637722	0	45	-1.0	-47.92	377.44	8.46	-39.46
CC(CN(C)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007637723	0	35	-1.0	-45.01	313.27	4.73	-40.28
CC1=C(C)C(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1C	REAL300007637724	0	46	-1.0	-52.14	338.27	7.41	-44.73
CC(CN(C)S(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007637725	0	40	-1.0	-51.57	332.44	4.50	-47.07
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637726	0	47	-1.0	-54.15	368.23	6.74	-47.41
CC(CN(C)S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300007637727	0	38	-1.0	-50.75	342.11	7.35	-43.40
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007637728	0	36	-1.0	-60.36	311.82	5.63	-54.73
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637729	0	35	-1.0	-50.80	312.29	5.02	-45.78
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637730	0	49	-1.0	-48.43	362.61	8.00	-40.43
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007637731	0	34	-1.0	-45.51	306.02	5.94	-39.57
CC(CN(C)S(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007637732	0	41	-1.0	-49.36	329.11	6.92	-42.44
COC1=CC=C(OC)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637733	0	39	-1.0	-54.88	321.55	3.72	-51.16
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1OC	REAL300007637734	0	39	-1.0	-52.04	325.10	3.63	-48.41
CC(CN(C)S(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007637735	0	39	-1.0	-48.26	321.35	7.26	-41.00
CC(C)CCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637736	0	46	-1.0	-47.56	370.74	8.44	-39.12
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1OCC	REAL300007637737	0	45	-1.0	-48.95	368.81	5.47	-43.48
CC(CN(C)S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007637738	0	36	-1.0	-53.04	322.34	-0.07	-53.11
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007637739	0	39	-1.0	-52.91	330.29	6.79	-46.12
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1C	REAL300007637740	0	39	-1.0	-45.32	323.52	6.40	-38.92
CC1=CC2=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C2N=C1	REAL300007637741	0	39	-1.0	-54.30	325.22	6.31	-47.99
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007637742	0	37	-1.0	-55.18	318.93	5.92	-49.26
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637743	0	35	-1.0	-47.30	305.91	5.33	-41.97
CC(CN(C)S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007637744	0	36	-1.0	-62.34	321.45	-0.59	-62.93
CC(CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007637745	0	43	-1.0	-54.11	379.75	2.75	-51.36
CC(CN(C)S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007637746	0	39	-1.0	-48.82	332.86	6.50	-42.32
CC(CN(C)S(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007637747	0	40	-1.0	-50.00	326.72	5.85	-44.15
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CN=C12	REAL300007637748	0	39	-1.0	-50.32	315.37	5.86	-44.46
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C	REAL300007637749	0	39	-1.0	-60.56	329.44	7.54	-53.02
CC(CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007637750	0	42	-1.0	-51.14	361.88	2.43	-48.71
CC(CN(C)S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007637751	0	43	-1.0	-50.91	352.90	3.76	-47.15
CC(CN(C)S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007637752	0	37	-1.0	-64.31	327.99	1.97	-62.34
CC(CN(C)S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007637753	0	41	-1.0	-54.29	333.97	8.12	-46.17
CC(CN(C)S(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007637754	0	37	-1.0	-51.53	302.27	6.50	-45.03
CC(CN(C)S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007637755	0	41	-1.0	-51.02	341.45	7.86	-43.16
CC(CN(C)S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007637756	0	45	-1.0	-52.09	356.57	6.38	-45.71
CC(CN(C)S(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007637757	0	32	-1.0	-54.43	287.55	3.43	-51.00
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637758	0	35	-1.0	-50.96	307.73	4.92	-46.04
CCC(C)(C)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637759	0	46	-1.0	-48.97	356.80	7.21	-41.76
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Cl	REAL300007637760	0	34	-1.0	-46.15	301.85	5.53	-40.62
CC(C)OC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637761	0	41	-1.0	-48.06	336.55	5.78	-42.28
CC(CN(C)S(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007637762	0	34	-1.0	-49.01	306.76	5.68	-43.33
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007637763	0	36	-1.0	-51.75	327.32	7.61	-44.14
CC(CN(C)S(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007637764	0	36	-1.0	-61.47	303.81	5.62	-55.85
CC(CN(C)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007637765	0	42	-1.0	-52.26	372.64	7.84	-44.42
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637766	0	37	-1.0	-46.64	317.40	5.48	-41.16
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1F	REAL300007637767	0	35	-1.0	-54.01	302.09	3.80	-50.21
CC(CN(C)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007637768	0	42	-1.0	-48.73	374.08	7.85	-40.88
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2)C=C1	REAL300007637769	0	46	-1.0	-50.14	385.85	6.58	-43.56
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C(C)C)=C1	REAL300007637770	0	58	-1.0	-47.21	426.83	10.65	-36.56
CC(C)OC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007637771	0	47	-1.0	-51.67	370.23	7.41	-44.26
CC(CN(C)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007637772	0	34	-1.0	-50.51	324.67	6.19	-44.32
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007637773	0	41	-1.0	-51.80	330.60	5.85	-45.95
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007637774	0	47	-1.0	-52.12	386.84	2.12	-50.00
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637775	0	36	-1.0	-44.55	309.37	5.85	-38.70
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637776	0	36	-1.0	-45.56	300.06	5.62	-39.94
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637777	0	39	-1.0	-54.58	329.97	6.98	-47.60
CC(C)CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637778	0	43	-1.0	-49.36	348.44	7.13	-42.23
COCCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637779	0	41	-1.0	-48.09	343.85	5.45	-42.64
COCCN(CCOC)S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637780	0	43	-1.0	-49.77	346.27	1.75	-48.02
CC1=CC=C(Cl)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637781	0	34	-1.0	-52.40	293.60	5.57	-46.83
COC1=C(C)C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C	REAL300007637782	0	41	-1.0	-47.54	337.91	5.77	-41.77
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637783	0	47	-1.0	-48.11	380.01	7.30	-40.81
CC(CN(C)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007637784	0	45	-1.0	-46.90	360.72	7.17	-39.73
CC(C)COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637785	0	44	-1.0	-47.78	360.23	6.66	-41.12
CCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637786	0	41	-1.0	-47.84	340.13	5.96	-41.88
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Cl	REAL300007637787	0	35	-1.0	-52.86	312.80	4.30	-48.56
CC(CN(C)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007637788	0	35	-1.0	-51.07	322.57	4.58	-46.49
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C	REAL300007637789	0	38	-1.0	-50.42	315.95	4.47	-45.95
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1OC(C)C	REAL300007637790	0	44	-1.0	-48.99	357.07	6.04	-42.95
COC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1	REAL300007637791	0	38	-1.0	-47.35	305.35	4.58	-42.77
COCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637792	0	42	-1.0	-50.44	352.25	4.43	-46.01
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637793	0	34	-1.0	-44.59	302.45	5.80	-38.79
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1C	REAL300007637794	0	39	-1.0	-47.92	311.20	6.80	-41.12
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637795	0	40	-1.0	-58.16	336.86	2.47	-55.69
CC(CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007637796	0	43	-1.0	-52.06	377.11	2.82	-49.24
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637797	0	39	-1.0	-51.94	343.90	1.11	-50.83
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637798	0	39	-1.0	-52.79	326.82	3.01	-49.78
CC(CN(C)S(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007637799	0	34	-1.0	-52.95	300.21	5.74	-47.21
COC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1F	REAL300007637800	0	35	-1.0	-47.52	303.01	3.83	-43.69
CC(CN(C)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007637801	0	41	-1.0	-49.49	340.57	7.84	-41.65
CC(CN(C)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007637802	0	34	-1.0	-51.03	325.42	6.28	-44.75
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])S2)=CS1	REAL300007637803	0	37	-1.0	-52.77	349.08	5.13	-47.64
CC(CN(C)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007637804	0	51	-1.0	-47.69	401.86	8.55	-39.14
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637805	0	39	-1.0	-56.48	327.02	6.45	-50.03
CNC(=O)C1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CN1C	REAL300007637806	0	39	-1.0	-51.70	332.36	2.09	-49.61
COC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1	REAL300007637807	0	41	-1.0	-47.77	316.73	5.02	-42.75
CC(CN(C)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007637808	0	42	-1.0	-49.36	350.03	9.08	-40.28
COC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C	REAL300007637809	0	41	-1.0	-52.77	326.43	5.08	-47.69
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007637810	0	39	-1.0	-48.47	315.82	5.96	-42.51
CC(CN(C)S(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007637811	0	36	-1.0	-50.77	298.26	4.78	-45.99
CC(CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007637812	0	44	-1.0	-53.23	365.63	8.80	-44.43
CCN1C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007637813	0	36	-1.0	-50.21	311.34	5.45	-44.76
CC(CN(C)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007637814	0	38	-1.0	-52.13	338.20	5.14	-46.99
CC(CN(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007637815	0	45	-1.0	-51.21	377.63	7.71	-43.50
CCC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637816	0	39	-1.0	-64.24	330.36	5.73	-58.51
CC(CN(C)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007637817	0	41	-1.0	-48.21	352.66	6.53	-41.68
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637818	0	53	-1.0	-51.96	406.52	7.43	-44.53
CC(CN(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007637819	0	39	-1.0	-52.95	341.66	1.68	-51.27
CC(CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007637820	0	46	-1.0	-51.00	388.31	3.56	-47.44
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CC=C12	REAL300007637821	0	44	-1.0	-51.71	353.36	6.83	-44.88
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637822	0	41	-1.0	-55.47	335.14	6.01	-49.46
CC(CN(C)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007637823	0	36	-1.0	-58.26	317.91	4.74	-53.52
CC(CN(C)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007637824	0	38	-1.0	-51.11	326.37	6.07	-45.04
CCOCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637825	0	45	-1.0	-50.93	374.92	5.44	-45.49
CCCCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637826	0	47	-1.0	-47.68	383.12	7.52	-40.16
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007637827	0	41	-1.0	-49.84	323.88	7.69	-42.15
CC(CN(C)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007637828	0	37	-1.0	-55.85	315.54	6.27	-49.58
CC(CN(C)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007637829	0	35	-1.0	-44.93	323.66	6.40	-38.53
CC(CN(C)S(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007637830	0	39	-1.0	-60.37	331.72	5.72	-54.65
CC(CN(C)S(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300007637831	0	37	-1.0	-54.65	302.92	0.70	-53.95
CC(CN(C)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007637832	0	36	-1.0	-58.06	317.40	4.62	-53.44
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1	REAL300007637833	0	41	-1.0	-47.14	326.33	5.49	-41.65
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637834	0	39	-1.0	-62.40	343.90	0.62	-61.78
CC(CN(C)S(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007637835	0	35	-1.0	-48.24	298.07	5.05	-43.19
CSC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637836	0	35	-1.0	-48.65	308.29	6.00	-42.65
CC(CN(C)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007637837	0	37	-1.0	-49.17	329.98	6.22	-42.95
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637838	0	42	-1.0	-48.44	335.10	6.70	-41.74
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007637839	0	37	-1.0	-54.49	306.84	4.22	-50.27
CC(CN(C)S(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007637840	0	36	-1.0	-51.12	297.32	4.61	-46.51
CC(CN(C)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007637841	0	43	-1.0	-52.52	362.35	6.42	-46.10
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(F)(F)F	REAL300007637842	0	37	-1.0	-45.61	321.70	5.97	-39.64
CC(CN(C)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007637843	0	37	-1.0	-51.82	338.64	5.71	-46.11
CC(CN(C)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007637844	0	40	-1.0	-47.74	331.16	6.03	-41.71
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C12	REAL300007637845	0	39	-1.0	-47.69	333.01	4.70	-42.99
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637846	0	38	-1.0	-52.10	335.82	5.08	-47.02
COCC1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637847	0	38	-1.0	-51.83	322.35	4.19	-47.64
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007637848	0	42	-1.0	-54.52	348.40	6.10	-48.42
CC(CN(C)S(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007637849	0	34	-1.0	-54.31	305.37	5.64	-48.67
CC(CN(C)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007637850	0	43	-1.0	-58.25	363.86	2.95	-55.30
CC(CN(C)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007637851	0	38	-1.0	-48.42	336.03	5.54	-42.88
COC1=CC(OC)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Br	REAL300007637852	0	39	-1.0	-53.12	341.09	4.39	-48.73
CC(CN(C)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007637853	0	39	-1.0	-60.03	334.71	5.57	-54.46
CC(CN(C)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007637854	0	34	-1.0	-52.74	318.58	6.15	-46.59
CC(CN(C)S(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007637855	0	39	-1.0	-48.02	322.86	5.56	-42.46
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637856	0	43	-1.0	-47.35	320.48	7.44	-39.91
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637857	0	43	-1.0	-52.38	350.11	3.32	-49.06
CC(CN(C)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007637858	0	42	-1.0	-48.61	373.56	8.33	-40.28
CC(CN(C)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007637859	0	37	-1.0	-48.60	333.11	5.65	-42.95
CC(CN(C)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007637860	0	37	-1.0	-51.64	348.96	6.15	-45.49
CC1=NC(C2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2)=CO1	REAL300007637861	0	40	-1.0	-57.26	345.53	3.50	-53.76
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007637862	0	34	-1.0	-53.91	308.50	3.69	-50.22
CC(CN(C)S(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007637863	0	34	-1.0	-47.03	291.85	3.62	-43.41
CC(CN(C)S(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007637864	0	39	-1.0	-49.27	320.08	5.05	-44.22
CC1=CC=C(N2C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=N2)C=C1	REAL300007637865	0	41	-1.0	-48.64	349.26	6.72	-41.92
CC(CN(C)S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007637866	0	39	-1.0	-53.07	343.42	5.68	-47.39
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007637867	0	36	-1.0	-47.06	310.58	5.61	-41.45
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=N1	REAL300007637868	0	42	-1.0	-54.55	354.42	5.72	-48.83
CC(CN(C)S(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007637869	0	33	-1.0	-49.04	298.68	4.44	-44.60
CC(CN(C)S(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007637870	0	39	-1.0	-49.53	319.78	5.36	-44.17
CC1=CC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2C=C1	REAL300007637871	0	40	-1.0	-51.45	334.52	7.38	-44.07
CC(CN(C)S(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007637872	0	39	-1.0	-51.16	317.90	4.83	-46.33
CC(CN(C)S(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007637873	0	36	-1.0	-58.80	314.27	4.54	-54.26
CC(CN(C)S(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007637874	0	37	-1.0	-50.78	330.06	6.50	-44.28
CC(CN(C)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007637875	0	43	-1.0	-53.89	344.25	5.10	-48.79
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007637876	0	33	-1.0	-47.19	300.54	4.18	-43.01
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637877	0	39	-1.0	-54.71	320.70	5.31	-49.40
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637878	0	39	-1.0	-49.45	324.17	6.42	-43.03
CC1=CC=C(C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007637879	0	39	-1.0	-61.30	321.25	7.64	-53.66
CC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007637880	0	39	-1.0	-52.21	321.16	6.30	-45.91
COC1=CC=C(CCS(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637881	0	41	-1.0	-52.84	343.76	5.30	-47.54
CC(CN(C)S(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007637882	0	40	-1.0	-52.45	342.62	6.21	-46.24
COC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC(OC)=C1	REAL300007637883	0	39	-1.0	-50.19	324.79	3.56	-46.63
CC1=CC2=C(C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-])OCO2	REAL300007637884	0	37	-1.0	-46.07	301.61	3.89	-42.18
COC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1Cl	REAL300007637885	0	35	-1.0	-47.29	312.81	4.32	-42.97
CC(CN(C)S(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300007637886	0	37	-1.0	-53.13	314.37	5.76	-47.37
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007637887	0	39	-1.0	-58.41	322.12	6.52	-51.89
CC1=NC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2O1	REAL300007637888	0	36	-1.0	-50.93	309.76	2.09	-48.84
CCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1CC	REAL300007637889	0	43	-1.0	-50.38	343.44	6.99	-43.39
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637890	0	39	-1.0	-46.31	315.64	6.41	-39.90
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637891	0	41	-1.0	-50.41	326.87	6.42	-43.99
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007637892	0	32	-1.0	-47.90	285.96	2.49	-45.41
CC(CN(C)S(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007637893	0	38	-1.0	-50.39	315.14	4.66	-45.73
CC(CN(C)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007637894	0	37	-1.0	-56.31	320.63	6.41	-49.90
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007637895	0	34	-1.0	-52.23	294.35	3.50	-48.73
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC(C)=C1F	REAL300007637896	0	37	-1.0	-45.60	312.84	6.30	-39.30
CC(CN(C)S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007637897	0	38	-1.0	-59.53	324.55	4.27	-55.26
CC(CN(C)S(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007637898	0	44	-1.0	-54.18	369.78	6.06	-48.12
CC(CN(C)S(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007637899	0	35	-1.0	-51.58	299.51	4.37	-47.21
CC(CN(C)S(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007637900	0	33	-1.0	-54.54	292.69	4.72	-49.82
CC(CN(C)S(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007637901	0	34	-1.0	-48.50	305.88	6.24	-42.26
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC=C1Cl	REAL300007637902	0	34	-1.0	-47.32	302.75	5.55	-41.77
CC(CN(C)S(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007637903	0	37	-1.0	-51.18	313.30	5.37	-45.81
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2)=N1	REAL300007637904	0	40	-1.0	-50.58	355.83	5.94	-44.64
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007637905	0	39	-1.0	-52.18	314.69	5.78	-46.40
CC(CN(C)S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007637906	0	38	-1.0	-55.20	331.79	2.83	-52.37
CC(CN(C)S(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007637907	0	40	-1.0	-55.98	317.02	4.49	-51.49
CC(CN(C)S(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007637908	0	34	-1.0	-51.37	312.74	5.73	-45.64
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637909	0	56	-1.0	-47.59	447.62	9.86	-37.73
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637910	0	41	-1.0	-51.42	353.47	6.68	-44.74
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637911	0	44	-1.0	-55.46	357.43	6.10	-49.36
COC(CS(=O)(=O)N(C)CC(C)C(=O)[O-])C1CCCC1	REAL300007637912	0	44	-1.0	-47.49	342.76	5.34	-42.15
COC(CS(=O)(=O)N(C)CC(C)C(=O)[O-])C1CCCCC1	REAL300007637913	0	47	-1.0	-48.07	357.07	6.01	-42.06
CC(CN(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007637914	0	45	-1.0	-54.98	383.85	7.78	-47.20
CCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(C)C	REAL300007637915	0	50	-1.0	-48.16	398.74	7.50	-40.66
CCC1=NC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CN1CC1CC1	REAL300007637916	0	44	-1.0	-51.55	359.92	6.74	-44.81
CC(CN(C)S(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007637917	0	34	-1.0	-49.79	308.30	4.02	-45.77
CC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007637918	0	39	-1.0	-53.18	324.53	6.53	-46.65
CC(CN(C)S(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007637919	0	38	-1.0	-45.97	309.36	4.74	-41.23
CC(CN(C)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007637920	0	44	-1.0	-47.75	364.43	6.64	-41.11
CC(CN(C)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007637921	0	34	-1.0	-47.84	311.52	3.11	-44.73
CC(CN(C)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007637922	0	42	-1.0	-48.21	368.20	8.53	-39.68
CC(CN(C)S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007637923	0	41	-1.0	-51.94	329.98	7.93	-44.01
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007637924	0	51	-1.0	-48.35	418.86	9.74	-38.61
CCC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C(C)C=C1OC	REAL300007637925	0	44	-1.0	-50.41	348.35	5.76	-44.65
CC(CN(C)S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007637926	0	37	-1.0	-45.37	338.49	6.81	-38.56
CC(CN(C)S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007637927	0	33	-1.0	-57.86	297.41	3.41	-54.45
CC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007637928	0	40	-1.0	-50.51	321.01	7.83	-42.68
CC(C)OC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=N1	REAL300007637929	0	40	-1.0	-46.05	335.85	3.51	-42.54
COC1=C(F)C=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637930	0	35	-1.0	-50.13	298.57	4.98	-45.15
CCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(C)C	REAL300007637931	0	47	-1.0	-48.24	376.33	6.67	-41.57
CC(CN(C)S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007637932	0	43	-1.0	-45.85	345.50	6.70	-39.15
CC(CN(C)S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007637933	0	50	-1.0	-49.01	391.01	9.54	-39.47
CC(CN(C)S(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007637934	0	41	-1.0	-46.85	320.82	4.82	-42.03
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007637935	0	43	-1.0	-50.81	341.91	5.32	-45.49
CC(CN(C)S(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007637936	0	41	-1.0	-46.88	334.11	5.32	-41.56
CC(CN(C)S(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007637937	0	34	-1.0	-48.09	292.41	3.40	-44.69
COC1=CC=C(F)C=C1CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637938	0	38	-1.0	-52.62	324.61	4.59	-48.03
C=CCCC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637939	0	41	-1.0	-47.88	344.49	7.72	-40.16
CCCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(C)C	REAL300007637940	0	53	-1.0	-50.16	419.33	8.25	-41.91
CC(CN(C)S(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007637941	0	35	-1.0	-46.89	314.44	6.66	-40.23
CCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(C)(C)C	REAL300007637942	0	53	-1.0	-48.16	411.29	8.16	-40.00
CCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1CC	REAL300007637943	0	47	-1.0	-50.24	381.82	6.97	-43.27
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637944	0	37	-1.0	-46.04	304.17	6.25	-39.79
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637945	0	37	-1.0	-50.33	328.82	6.39	-43.94
CC(CN(C)S(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007637946	0	35	-1.0	-53.49	316.18	6.09	-47.40
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637947	0	47	-1.0	-47.94	380.82	7.74	-40.20
CC(CN(C)S(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007637948	0	36	-1.0	-50.17	298.53	4.70	-45.47
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C2)C=C1	REAL300007637949	0	46	-1.0	-49.81	397.56	8.36	-41.45
CC(CN(C)S(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007637950	0	38	-1.0	-50.01	316.58	4.65	-45.36
CC(CN(C)S(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007637951	0	38	-1.0	-49.51	315.49	4.27	-45.24
CC(CN(C)S(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007637952	0	41	-1.0	-47.73	336.62	5.52	-42.21
CC(CN(C)S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007637953	0	42	-1.0	-50.73	339.43	3.03	-47.70
CC(CN(C)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007637954	0	37	-1.0	-50.74	333.78	5.31	-45.43
CC(CN(C)S(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007637955	0	38	-1.0	-47.28	305.23	4.91	-42.37
CCCCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(C)C	REAL300007637956	0	56	-1.0	-48.07	441.73	9.06	-39.01
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C	REAL300007637957	0	47	-1.0	-53.15	363.60	6.18	-46.97
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637958	0	41	-1.0	-53.37	337.24	5.97	-47.40
CCOCCOC1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1C(C)C	REAL300007637959	0	54	-1.0	-50.38	431.81	6.89	-43.49
CC(CN(C)S(=O)(=O)C1=C2OC(C)CC2=CC=C1)C(=O)[O-]	REAL300007637960	0	39	-1.0	-53.28	319.85	5.66	-47.62
CC(CN(C)S(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007637961	0	39	-1.0	-50.28	338.30	4.22	-46.06
CC(CN(C)S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007637962	0	37	-1.0	-52.17	320.66	5.42	-46.75
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637963	0	36	-1.0	-58.08	306.49	4.57	-53.51
CC(CN(C)S(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007637964	0	35	-1.0	-48.44	319.42	4.94	-43.50
CC(CN(C)S(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007637965	0	34	-1.0	-53.51	305.48	5.86	-47.65
CC(CN(C)S(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007637966	0	38	-1.0	-48.48	317.40	4.20	-44.28
CC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=C1F	REAL300007637967	0	40	-1.0	-45.12	312.83	6.40	-38.72
COC1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1OC	REAL300007637968	0	39	-1.0	-49.64	319.02	4.42	-45.22
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007637969	0	44	-1.0	-50.78	356.74	5.46	-45.32
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637970	0	43	-1.0	-47.45	341.05	5.43	-42.02
CCCCN1C=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C(C)=N1	REAL300007637971	0	43	-1.0	-49.71	353.11	5.48	-44.23
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007637972	0	38	-1.0	-50.69	318.14	4.21	-46.48
CC(CN(C)S(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007637973	0	35	-1.0	-49.87	306.52	4.03	-45.84
CC(CN(C)S(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007637974	0	36	-1.0	-64.07	307.55	3.50	-60.57
CC1=CC(C)=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1Br	REAL300007637975	0	37	-1.0	-50.93	313.64	6.10	-44.83
CC(CN(C)S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007637976	0	37	-1.0	-47.91	336.31	6.11	-41.80
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007637977	0	41	-1.0	-48.94	333.07	5.08	-43.86
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637978	0	49	-1.0	-52.35	373.99	8.05	-44.30
CC(CN(C)S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007637979	0	37	-1.0	-52.25	337.59	6.30	-45.95
CC(CN(C)S(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007637980	0	41	-1.0	-47.46	340.67	5.62	-41.84
CC(CN(C)S(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007637981	0	35	-1.0	-48.29	300.07	5.46	-42.83
CC(CN(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007637982	0	42	-1.0	-52.97	360.36	7.39	-45.58
COC1=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007637983	0	40	-1.0	-59.82	334.97	6.11	-53.71
CC(CN(C)S(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007637984	0	38	-1.0	-47.67	310.28	4.52	-43.15
CC(CN(C)S(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007637985	0	40	-1.0	-47.12	315.43	4.74	-42.38
CC(CN(C)S(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007637986	0	40	-1.0	-47.70	331.78	4.64	-43.06
CC(CN(C)S(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007637987	0	38	-1.0	-49.23	315.28	3.76	-45.47
CC1=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007637988	0	36	-1.0	-46.70	319.47	4.35	-42.35
CC(CN(C)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007637989	0	34	-1.0	-44.23	311.82	6.05	-38.18
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)CC(C)C(=O)[O-])=C1	REAL300007637990	0	42	-1.0	-63.33	350.95	6.47	-56.86
CC(CN(C)S(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007637991	0	42	-1.0	-48.77	342.96	7.93	-40.84
CC(CN(C)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007637992	0	37	-1.0	-47.29	332.15	5.92	-41.37
CC(CN(C)S(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007637993	0	38	-1.0	-56.25	319.32	2.80	-53.45
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)CC(C)C(=O)[O-])C=C1	REAL300007637994	0	41	-1.0	-46.81	363.49	5.71	-41.10
CC(CN(C)S(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007637995	0	31	-1.0	-49.48	291.37	5.13	-44.35
CC(CN(C)S(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007637996	0	41	-1.0	-47.66	329.05	4.94	-42.72
CCC(C)N1N=CC=C1S(=O)(=O)N(C)CC(C)C(=O)[O-]	REAL300007637997	0	40	-1.0	-47.62	325.57	4.27	-43.35
CC(CN(C)S(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007637998	0	45	-1.0	-47.92	341.70	5.73	-42.19
CC(CN(C)S(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007637999	0	45	-1.0	-49.07	358.49	3.81	-45.26
CC(CN(C)S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007638000	0	37	-1.0	-54.15	319.60	5.96	-48.19
CC1=C(Br)C=C(S(=O)(=O)NC(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007639999	0	30	-1.0	-41.12	297.61	3.98	-37.14
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)C(=O)[O-]	REAL300007640000	0	36	-1.0	-53.29	322.19	2.22	-51.07
CC1=C(Br)C=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007640942	0	30	-1.0	-41.00	294.81	3.87	-37.13
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007640943	0	36	-1.0	-47.01	324.34	2.31	-44.70
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C	REAL300007640944	0	36	-1.0	-45.37	324.05	-0.72	-46.09
C[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007640945	0	43	-1.0	-43.75	318.29	3.74	-40.01
C[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007640946	0	33	-1.0	-50.65	297.13	4.07	-46.58
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300007640947	0	43	-1.0	-49.69	376.26	4.82	-44.87
C[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007640948	0	36	-1.0	-44.92	310.81	0.73	-44.19
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007640949	0	39	-1.0	-47.36	356.21	3.31	-44.05
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007640950	0	39	-1.0	-47.59	351.56	3.48	-44.11
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007640951	0	40	-1.0	-52.21	355.02	3.53	-48.68
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007640952	0	32	-1.0	-42.67	301.41	2.47	-40.20
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300007640953	0	43	-1.0	-48.18	378.77	0.42	-47.76
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007640954	0	29	-1.0	-42.84	283.62	2.09	-40.75
C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007640955	0	29	-1.0	-43.33	278.74	2.33	-41.00
COC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007640956	0	31	-1.0	-42.63	288.19	2.92	-39.71
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007640957	0	31	-1.0	-40.08	287.65	4.10	-35.98
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007640958	0	31	-1.0	-40.66	287.91	4.14	-36.52
CC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007640959	0	31	-1.0	-41.07	287.27	3.69	-37.38
C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007640960	0	32	-1.0	-47.78	297.44	2.70	-45.08
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1C	REAL300007640961	0	52	-1.0	-45.67	418.38	6.65	-39.02
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1F	REAL300007640962	0	39	-1.0	-45.95	353.27	0.59	-45.36
C[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007640963	0	33	-1.0	-45.89	305.83	4.36	-41.53
C[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007640964	0	28	-1.0	-42.95	277.28	3.52	-39.43
C[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007640965	0	28	-1.0	-44.78	272.82	3.46	-41.32
C[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007640966	0	32	-1.0	-58.39	297.46	0.04	-58.35
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007640967	0	28	-1.0	-42.50	275.56	3.45	-39.05
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007640968	0	28	-1.0	-42.02	267.59	3.55	-38.47
COC1=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300007640969	0	29	-1.0	-41.89	282.58	2.14	-39.75
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Cl	REAL300007640970	0	33	-1.0	-45.35	308.05	1.87	-43.48
C[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007640971	0	28	-1.0	-49.13	277.55	1.25	-47.88
C[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007640972	0	28	-1.0	-50.11	272.17	1.23	-48.88
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007640973	0	36	-1.0	-42.14	283.38	0.05	-42.09
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1I	REAL300007640974	0	28	-1.0	-43.00	278.17	3.80	-39.20
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007640975	0	37	-1.0	-46.33	336.37	1.39	-44.94
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007640976	0	42	-1.0	-50.26	369.49	1.89	-48.37
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007640977	0	42	-1.0	-53.29	375.73	0.68	-52.61
C[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007640978	0	33	-1.0	-47.54	311.75	-1.06	-48.60
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])S1	REAL300007640979	0	39	-1.0	-50.31	368.78	-0.17	-50.48
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300007640980	0	40	-1.0	-48.37	357.40	-0.39	-48.76
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C(F)=C1	REAL300007640981	0	39	-1.0	-54.04	353.65	0.57	-53.47
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1	REAL300007640982	0	39	-1.0	-44.79	351.85	-0.04	-44.83
C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007640983	0	36	-1.0	-55.82	310.67	2.49	-53.33
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1F	REAL300007640984	0	39	-1.0	-46.18	354.58	0.63	-45.55
C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007640985	0	40	-1.0	-46.56	333.84	3.00	-43.56
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1F	REAL300007640986	0	36	-1.0	-46.50	333.22	-0.17	-46.67
C[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007640987	0	40	-1.0	-45.22	346.57	2.60	-42.62
C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007640988	0	37	-1.0	-51.32	322.24	2.51	-48.81
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007640989	0	34	-1.0	-52.80	314.83	0.59	-52.21
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007640990	0	35	-1.0	-51.19	323.14	-0.48	-51.67
CCOC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1Br	REAL300007640991	0	32	-1.0	-43.42	304.56	3.05	-40.37
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007640992	0	39	-1.0	-46.14	340.91	5.24	-40.90
C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007640993	0	29	-1.0	-43.11	288.93	2.78	-40.33
C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007640994	0	31	-1.0	-43.86	313.56	0.28	-43.58
COC1=CC=C(Br)C(CS(=O)(=O)N[C@@H](C)C(=O)[O-])=C1	REAL300007640995	0	32	-1.0	-45.11	302.17	2.78	-42.33
C[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007640996	0	39	-1.0	-44.83	345.71	4.12	-40.71
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H](C)C(=O)[O-]	REAL300007640997	0	32	-1.0	-45.09	302.09	3.14	-41.95
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@@H](C)C(=O)[O-])=CC=C21	REAL300007640998	0	37	-1.0	-45.86	323.52	3.70	-42.16
CC1=C(S(=O)(=O)N[C@@H](C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007640999	0	31	-1.0	-45.77	290.43	3.32	-42.45
C[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007641000	0	28	-1.0	-42.59	288.90	4.14	-38.45
COC1=CC=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641595	0	34	-1.0	-52.62	296.02	3.36	-49.26
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641596	0	41	-1.0	-53.62	344.42	3.84	-49.78
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300007641597	0	41	-1.0	-52.24	358.20	0.41	-51.83
O=C([O-])C1CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CCO1	REAL300007641598	0	48	-1.0	-49.06	350.49	4.97	-44.09
CC1=NC2=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300007641599	0	38	-1.0	-55.80	315.04	4.83	-50.97
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CCO1	REAL300007641600	0	38	-1.0	-61.98	331.16	5.32	-56.66
O=C([O-])C1CN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)CCO1	REAL300007641601	0	41	-1.0	-52.72	343.47	1.99	-50.73
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641602	0	44	-1.0	-53.09	383.35	4.60	-48.49
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641603	0	44	-1.0	-52.72	374.92	4.65	-48.07
CCCN1C=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641604	0	36	-1.0	-56.68	313.81	4.20	-52.48
COCCOCCOCCS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641605	0	44	-1.0	-55.36	374.01	0.78	-54.58
CC(COC1CCCC1)CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641606	0	46	-1.0	-51.84	366.34	4.82	-47.02
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641607	0	37	-1.0	-48.90	334.86	3.73	-45.17
O=C([O-])C1CN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)CCO1	REAL300007641608	0	38	-1.0	-51.68	325.82	1.26	-50.42
COC1=CC(Br)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641609	0	34	-1.0	-49.53	317.14	3.36	-46.17
O=C([O-])C1CN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CCO1	REAL300007641610	0	34	-1.0	-45.30	305.84	3.62	-41.68
COC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007641611	0	36	-1.0	-50.52	321.85	4.18	-46.34
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641612	0	36	-1.0	-46.67	309.31	4.78	-41.89
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641613	0	36	-1.0	-51.06	308.75	4.77	-46.29
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007641614	0	36	-1.0	-48.02	320.76	4.95	-43.07
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641615	0	39	-1.0	-51.74	315.27	5.43	-46.31
O=C([O-])C1CN(S(=O)(=O)CCCN2CCOCC2)CCO1	REAL300007641616	0	42	-1.0	-51.93	340.06	0.41	-51.52
CCOC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641617	0	37	-1.0	-53.84	317.69	3.66	-50.18
COCCN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300007641618	0	37	-1.0	-49.83	326.09	1.07	-48.76
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CCO1	REAL300007641619	0	37	-1.0	-53.91	330.03	4.00	-49.91
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CCO1	REAL300007641620	0	38	-1.0	-55.94	339.09	5.64	-50.30
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)CCO1	REAL300007641621	0	35	-1.0	-54.83	307.54	3.81	-51.02
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC(Br)=C2)CCO1	REAL300007641622	0	33	-1.0	-53.63	310.58	4.80	-48.83
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC=C2Br)CCO1	REAL300007641623	0	33	-1.0	-50.63	306.85	4.72	-45.91
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CCO1	REAL300007641624	0	37	-1.0	-69.82	330.92	1.31	-68.51
CC1=CC(Br)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641625	0	33	-1.0	-50.32	309.01	4.71	-45.61
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641626	0	33	-1.0	-49.15	290.02	4.31	-44.84
COCC1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641627	0	37	-1.0	-49.08	302.92	3.03	-46.05
COC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Br	REAL300007641628	0	34	-1.0	-48.88	316.24	3.41	-45.47
COC1=CC(OC)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300007641629	0	38	-1.0	-48.52	335.07	3.17	-45.35
O=C([O-])C1CN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CCO1	REAL300007641630	0	33	-1.0	-51.05	310.29	2.52	-48.53
O=C([O-])C1CN(S(=O)(=O)C2=CN(CC(F)F)N=C2)CCO1	REAL300007641631	0	33	-1.0	-50.95	304.26	2.35	-48.60
CC1(C)CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C2O1	REAL300007641632	0	41	-1.0	-51.09	343.76	4.68	-46.41
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CCO1	REAL300007641633	0	33	-1.0	-49.36	301.70	2.44	-46.92
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641634	0	41	-1.0	-58.09	339.46	2.22	-55.87
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641635	0	42	-1.0	-56.68	370.02	2.66	-54.02
CSC1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641636	0	34	-1.0	-52.96	295.33	4.21	-48.75
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300007641637	0	38	-1.0	-55.05	345.28	0.21	-54.84
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641638	0	44	-1.0	-54.42	385.50	1.22	-53.20
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641639	0	41	-1.0	-56.63	337.67	3.25	-53.38
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300007641640	0	41	-1.0	-54.07	366.76	1.11	-52.96
CCC1=CC=C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641641	0	39	-1.0	-51.78	333.03	5.59	-46.19
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=CS2)CCO1	REAL300007641642	0	33	-1.0	-50.18	301.86	4.03	-46.15
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CCO1	REAL300007641643	0	45	-1.0	-49.82	380.08	3.88	-45.94
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CCO1	REAL300007641644	0	42	-1.0	-52.38	355.85	3.14	-49.24
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641645	0	39	-1.0	-56.63	348.51	1.86	-54.77
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641646	0	40	-1.0	-63.16	350.30	0.82	-62.34
CC1=CC=C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300007641647	0	39	-1.0	-52.45	328.44	5.34	-47.11
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Br	REAL300007641648	0	37	-1.0	-52.31	338.10	4.34	-47.97
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007641649	0	44	-1.0	-50.72	374.53	6.50	-44.22
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CCO1	REAL300007641650	0	34	-1.0	-45.39	316.20	4.07	-41.32
COC1=CC=C(Br)C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641651	0	37	-1.0	-53.07	336.36	4.01	-49.06
CC1(C)CN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)CCO1	REAL300007641652	0	39	-1.0	-48.36	312.53	1.66	-46.70
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2S1	REAL300007641653	0	44	-1.0	-51.12	379.33	5.39	-45.73
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641654	0	37	-1.0	-52.25	329.08	4.47	-47.78
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300007641655	0	42	-1.0	-51.79	357.02	4.97	-46.82
CCS(=O)(=O)NCCS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641656	0	37	-1.0	-60.62	329.38	-1.79	-62.41
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300007641657	0	36	-1.0	-50.08	323.11	4.55	-45.53
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CCO1	REAL300007641658	0	33	-1.0	-48.30	321.97	5.39	-42.91
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300007641659	0	36	-1.0	-46.58	329.32	6.26	-40.32
O=C([O-])C1CN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CCO1	REAL300007641660	0	33	-1.0	-49.63	313.21	5.10	-44.53
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CCO1	REAL300007641661	0	36	-1.0	-54.26	318.74	6.31	-47.95
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CCO1	REAL300007641662	0	36	-1.0	-52.22	326.66	5.24	-46.98
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)CCO1	REAL300007641663	0	41	-1.0	-53.45	347.53	4.77	-48.68
O=C([O-])C1CN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CCO1	REAL300007641664	0	44	-1.0	-51.18	376.32	6.86	-44.32
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641665	0	43	-1.0	-57.29	373.76	5.01	-52.28
O=C([O-])C1CN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)CCO1	REAL300007641666	0	41	-1.0	-59.10	365.53	0.52	-58.58
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300007641667	0	39	-1.0	-48.41	332.81	6.36	-42.05
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1N(C)C	REAL300007641668	0	41	-1.0	-50.90	340.94	4.09	-46.81
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=CC=C2Br)CCO1	REAL300007641669	0	36	-1.0	-50.03	327.79	5.38	-44.65
O=C([O-])C1CN(S(=O)(=O)C2=C3OCCCN3N=C2)CCO1	REAL300007641670	0	35	-1.0	-51.93	302.68	0.38	-51.55
O=C([O-])C1CN(S(=O)(=O)CCOCC2CCCC2)CCO1	REAL300007641671	0	43	-1.0	-50.71	350.97	3.93	-46.78
COC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300007641672	0	37	-1.0	-51.84	315.50	3.61	-48.23
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641673	0	39	-1.0	-64.59	349.98	1.70	-62.89
CSC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300007641674	0	34	-1.0	-52.22	321.55	4.91	-47.31
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641675	0	42	-1.0	-52.71	333.36	3.59	-49.12
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CCO1	REAL300007641676	0	38	-1.0	-54.06	337.48	2.00	-52.06
CCC1=NOC2=NC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C12	REAL300007641677	0	37	-1.0	-49.19	327.57	1.15	-48.04
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)CCO1	REAL300007641678	0	41	-1.0	-49.77	362.84	3.27	-46.50
CN1N=CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CN=C21	REAL300007641679	0	35	-1.0	-50.69	310.69	2.58	-48.11
CCC1=CC(CC)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(CC)=C1	REAL300007641680	0	48	-1.0	-50.50	365.66	7.74	-42.76
O=C([O-])C1CN(S(=O)(=O)C2=CN3CCCCC3=N2)CCO1	REAL300007641681	0	37	-1.0	-55.11	312.28	3.48	-51.63
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCO1	REAL300007641682	0	36	-1.0	-49.51	334.93	1.53	-47.98
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CCO1	REAL300007641683	0	39	-1.0	-59.82	327.72	7.15	-52.67
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1F	REAL300007641684	0	37	-1.0	-52.32	304.05	3.07	-49.25
CC1(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)CCCCC1	REAL300007641685	0	42	-1.0	-49.79	316.19	4.95	-44.84
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)CCO1	REAL300007641686	0	39	-1.0	-52.02	327.52	4.90	-47.12
O=C([O-])C1CN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CCO1	REAL300007641688	0	38	-1.0	-51.42	334.99	4.72	-46.70
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641689	0	37	-1.0	-50.53	338.11	3.66	-46.87
CC1=CC=C(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)C(F)=C1	REAL300007641690	0	36	-1.0	-52.78	316.13	4.91	-47.87
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)CCO1	REAL300007641692	0	30	-1.0	-49.37	298.91	3.64	-45.73
O=C([O-])C1CN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)CCO1	REAL300007641693	0	43	-1.0	-51.98	355.13	6.74	-45.24
CC(C)(C)C1=CC(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)=NO1	REAL300007641694	0	41	-1.0	-56.42	347.49	4.20	-52.22
O=C([O-])C1CN(S(=O)(=O)CC2CCCS(=O)(=O)C2)CCO1	REAL300007641695	0	39	-1.0	-60.98	327.54	0.62	-60.36
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCO1	REAL300007641696	0	33	-1.0	-48.65	302.51	3.91	-44.74
CC1=C(CCS(=O)(=O)N2CCOC(C(=O)[O-])C2)SC=N1	REAL300007641697	0	35	-1.0	-52.08	315.16	2.66	-49.42
O=C([O-])C1CN(S(=O)(=O)CC23CCC(CC2)C3)CCO1	REAL300007641698	0	40	-1.0	-50.62	315.21	4.84	-45.78
COC1=CC=C2C=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)CCC2=C1	REAL300007641699	0	42	-1.0	-51.78	350.26	5.15	-46.63
O=C([O-])C1CN(S(=O)(=O)CC23CCC(CC2)CC3)CCO1	REAL300007641700	0	43	-1.0	-50.39	323.81	5.46	-44.93
CC(C)(CCS(=O)(=O)N1CCOC(C(=O)[O-])C1)S(C)(=O)=O	REAL300007641701	0	41	-1.0	-59.25	338.77	0.57	-58.68
O=C([O-])C1CN(S(=O)(=O)CC2CCCCC2(F)F)CCO1	REAL300007641702	0	39	-1.0	-50.76	319.43	4.60	-46.16
O=C([O-])C1CN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CCO1	REAL300007641703	0	37	-1.0	-52.09	317.04	5.56	-46.53
CCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007641704	0	38	-1.0	-57.77	328.88	5.28	-52.49
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C=C2)CCO1	REAL300007641705	0	30	-1.0	-48.86	282.37	3.98	-44.88
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Br)C=C2)CCO1	REAL300007641706	0	30	-1.0	-48.72	286.93	4.09	-44.63
O=C([O-])C1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CCO1	REAL300007641707	0	32	-1.0	-49.49	293.87	4.13	-45.36
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)CCO1	REAL300007641708	0	36	-1.0	-52.15	311.48	5.74	-46.41
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CCO1	REAL300007641709	0	32	-1.0	-57.40	294.56	4.11	-53.29
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641710	0	35	-1.0	-54.82	298.45	4.45	-50.37
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641711	0	34	-1.0	-50.74	295.16	2.76	-47.98
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCO1	REAL300007641712	0	32	-1.0	-58.39	280.51	5.04	-53.35
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641713	0	37	-1.0	-51.41	332.77	4.84	-46.57
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641714	0	37	-1.0	-50.40	317.02	3.68	-46.72
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1C	REAL300007641715	0	42	-1.0	-49.54	321.34	5.88	-43.66
CC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1	REAL300007641716	0	39	-1.0	-50.17	311.02	5.54	-44.63
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641717	0	45	-1.0	-50.72	346.43	6.10	-44.62
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CCO1	REAL300007641718	0	33	-1.0	-52.33	305.38	4.45	-47.88
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CCO1	REAL300007641719	0	33	-1.0	-51.66	288.65	4.74	-46.92
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(Cl)=C2)CCO1	REAL300007641720	0	30	-1.0	-51.11	283.07	3.96	-47.15
CC(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641721	0	35	-1.0	-51.59	306.14	3.86	-47.73
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007641722	0	36	-1.0	-59.66	321.85	4.18	-55.48
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641723	0	42	-1.0	-50.48	341.88	5.78	-44.70
CC(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641724	0	39	-1.0	-50.60	325.90	5.39	-45.21
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641725	0	41	-1.0	-54.41	361.96	1.44	-52.97
CCCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641726	0	39	-1.0	-49.81	330.74	5.66	-44.15
COC1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641727	0	34	-1.0	-51.35	289.61	3.29	-48.06
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Br	REAL300007641728	0	34	-1.0	-52.57	316.25	3.41	-49.16
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Br	REAL300007641729	0	33	-1.0	-48.16	305.83	4.62	-43.54
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2)=C1	REAL300007641730	0	44	-1.0	-50.90	375.78	6.99	-43.91
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CCO1	REAL300007641731	0	34	-1.0	-49.32	311.66	3.25	-46.07
CC1=C(C)C(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1C	REAL300007641732	0	45	-1.0	-50.39	333.72	6.29	-44.10
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)CCO1	REAL300007641733	0	39	-1.0	-54.40	329.15	3.38	-51.02
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641734	0	46	-1.0	-52.87	365.80	5.61	-47.26
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007641735	0	35	-1.0	-48.29	310.55	4.63	-43.66
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641736	0	34	-1.0	-51.89	310.90	3.92	-47.97
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641737	0	48	-1.0	-49.39	365.25	7.21	-42.18
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CCO1	REAL300007641738	0	33	-1.0	-48.79	304.38	4.47	-44.32
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCCCC3=C2)CCO1	REAL300007641739	0	40	-1.0	-50.15	329.05	5.93	-44.22
COC1=CC=C(OC)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641740	0	38	-1.0	-54.84	319.08	2.59	-52.25
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1OC	REAL300007641741	0	38	-1.0	-52.65	325.06	2.64	-50.01
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCCC3=C2)CCO1	REAL300007641742	0	37	-1.0	-50.37	311.89	5.35	-45.02
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)CCO1	REAL300007641743	0	38	-1.0	-51.24	320.12	5.87	-45.37
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCCC3=C2)CCO1	REAL300007641744	0	35	-1.0	-51.04	302.26	3.29	-47.75
CC(C)CCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641745	0	45	-1.0	-49.77	369.80	6.95	-42.82
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1OCC	REAL300007641746	0	44	-1.0	-52.49	368.77	4.48	-48.01
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641747	0	35	-1.0	-55.50	320.59	-1.60	-57.10
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300007641748	0	38	-1.0	-47.89	328.02	5.17	-42.72
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1C	REAL300007641749	0	38	-1.0	-45.88	315.67	4.97	-40.91
CC1=CC2=CC=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=C2N=C1	REAL300007641750	0	38	-1.0	-56.64	323.57	4.96	-51.68
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300007641751	0	36	-1.0	-55.07	310.19	4.35	-50.72
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641752	0	34	-1.0	-48.47	306.33	3.82	-44.65
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641753	0	35	-1.0	-56.15	320.59	-1.61	-57.76
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)CCO1	REAL300007641754	0	42	-1.0	-53.15	375.34	1.29	-51.86
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641755	0	38	-1.0	-51.88	333.29	5.03	-46.85
O=C([O-])C1CN(S(=O)(=O)N2CCC3=CC=CC=C3C2)CCO1	REAL300007641756	0	39	-1.0	-49.38	323.06	4.75	-44.63
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CN=C12	REAL300007641757	0	38	-1.0	-52.68	317.32	4.75	-47.93
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300007641758	0	38	-1.0	-56.83	319.15	6.24	-50.59
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641759	0	41	-1.0	-54.51	361.92	1.44	-53.07
O=C([O-])C1CN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)CCO1	REAL300007641760	0	42	-1.0	-63.83	351.47	2.80	-61.03
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641761	0	36	-1.0	-57.03	327.05	0.96	-56.07
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CCO1	REAL300007641762	0	40	-1.0	-52.70	333.07	7.21	-45.49
CC1CC(C)CN(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C1	REAL300007641763	0	41	-1.0	-49.27	325.87	3.82	-45.45
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)CCO1	REAL300007641764	0	36	-1.0	-53.37	301.61	5.48	-47.89
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CCO1	REAL300007641765	0	40	-1.0	-51.93	339.85	6.88	-45.05
CC1=CC=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641766	0	33	-1.0	-50.99	276.39	3.83	-47.16
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=CC=C12	REAL300007641767	0	44	-1.0	-51.85	355.53	5.65	-46.20
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=NSN=C32)CCO1	REAL300007641768	0	31	-1.0	-51.59	288.67	1.86	-49.73
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641769	0	34	-1.0	-51.98	306.34	3.81	-48.17
COC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641770	0	34	-1.0	-53.75	295.84	2.74	-51.01
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641771	0	45	-1.0	-50.50	356.10	6.25	-44.25
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300007641772	0	33	-1.0	-51.18	301.81	4.55	-46.63
CC(C)OC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641773	0	40	-1.0	-51.05	334.94	4.32	-46.73
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC(Cl)=C2)CCO1	REAL300007641774	0	33	-1.0	-53.60	306.02	4.69	-48.91
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=NON=C32)CCO1	REAL300007641775	0	31	-1.0	-61.01	281.35	2.23	-58.78
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CCO1	REAL300007641776	0	35	-1.0	-51.76	319.55	6.06	-45.70
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)CCO1	REAL300007641777	0	35	-1.0	-57.87	301.20	4.46	-53.41
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)CCO1	REAL300007641778	0	41	-1.0	-50.54	371.35	6.89	-43.65
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641779	0	36	-1.0	-48.39	317.83	3.96	-44.43
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300007641780	0	34	-1.0	-53.78	302.06	2.81	-50.97
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300007641781	0	33	-1.0	-52.11	293.06	4.15	-47.96
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCO1	REAL300007641782	0	41	-1.0	-49.78	371.08	6.83	-42.95
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2)C=C1	REAL300007641783	0	45	-1.0	-50.90	386.24	5.65	-45.25
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C(C)C)=C1	REAL300007641784	0	57	-1.0	-49.77	422.28	9.25	-40.52
CC(C)OC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007641785	0	46	-1.0	-53.44	369.88	6.39	-47.05
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CCO1	REAL300007641786	0	33	-1.0	-51.71	321.29	5.16	-46.55
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007641787	0	40	-1.0	-54.02	329.93	4.82	-49.20
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641788	0	35	-1.0	-48.59	297.76	4.41	-44.18
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641789	0	35	-1.0	-54.28	296.78	4.37	-49.91
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641790	0	38	-1.0	-53.81	321.39	5.78	-48.03
CC(C)CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641791	0	42	-1.0	-49.79	347.50	6.13	-43.66
COCCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641792	0	40	-1.0	-50.47	342.91	3.95	-46.52
COCCN(CCOC)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641793	0	42	-1.0	-56.18	341.17	1.63	-54.55
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641794	0	33	-1.0	-50.25	286.74	4.29	-45.96
COC1=C(C)C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300007641795	0	40	-1.0	-49.61	337.64	4.24	-45.37
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641796	0	46	-1.0	-49.99	377.58	5.79	-44.20
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CCO1	REAL300007641797	0	44	-1.0	-50.66	360.60	5.68	-44.98
CC(C)COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641798	0	43	-1.0	-50.08	358.62	5.18	-44.90
CCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641799	0	40	-1.0	-50.13	338.52	4.48	-45.65
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1Cl	REAL300007641800	0	34	-1.0	-52.64	311.86	3.30	-49.34
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CCO1	REAL300007641801	0	34	-1.0	-51.41	321.62	3.57	-47.84
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300007641802	0	37	-1.0	-51.08	315.89	3.48	-47.60
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300007641803	0	43	-1.0	-50.59	355.67	5.03	-45.56
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1	REAL300007641804	0	37	-1.0	-49.70	299.70	3.07	-46.63
COCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641805	0	41	-1.0	-52.26	350.64	2.95	-49.31
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC=C2F)CCO1	REAL300007641806	0	33	-1.0	-56.27	294.74	4.23	-52.04
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641807	0	33	-1.0	-46.60	291.53	4.38	-42.22
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1C	REAL300007641808	0	38	-1.0	-49.90	307.87	5.66	-44.24
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641809	0	39	-1.0	-61.74	330.92	1.30	-60.44
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)CCO1	REAL300007641810	0	42	-1.0	-54.45	374.68	1.31	-53.14
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641811	0	38	-1.0	-55.04	342.96	-0.39	-55.43
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641812	0	38	-1.0	-52.06	323.39	1.52	-50.54
CC1=NC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300007641813	0	32	-1.0	-49.10	291.99	1.82	-47.28
O=C([O-])C1CN(S(=O)(=O)C2=CSC3=CC=CC=C32)CCO1	REAL300007641814	0	33	-1.0	-50.95	296.43	4.58	-46.37
COC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1F	REAL300007641815	0	34	-1.0	-49.71	302.05	2.81	-46.90
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CCO1	REAL300007641816	0	40	-1.0	-54.09	340.53	6.85	-47.24
O=C([O-])C1CN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CCO1	REAL300007641817	0	33	-1.0	-51.63	322.89	5.21	-46.42
CC1=NC(C2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)S2)=CS1	REAL300007641818	0	36	-1.0	-51.61	345.78	3.98	-47.63
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)CCO1	REAL300007641819	0	50	-1.0	-49.16	400.93	7.06	-42.10
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641820	0	38	-1.0	-57.02	322.53	5.11	-51.91
CNC(=O)C1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN1C	REAL300007641821	0	38	-1.0	-53.99	329.49	1.12	-52.87
COC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1	REAL300007641822	0	40	-1.0	-49.71	319.03	4.18	-45.53
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CCO1	REAL300007641823	0	41	-1.0	-52.15	350.56	7.56	-44.59
COC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300007641824	0	40	-1.0	-48.43	319.28	3.77	-44.66
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300007641825	0	38	-1.0	-50.32	309.40	4.51	-45.81
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)CCO1	REAL300007641826	0	35	-1.0	-53.67	297.23	4.03	-49.64
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCOC(C(=O)[O-])C1)=C2	REAL300007641827	0	43	-1.0	-52.94	366.11	7.26	-45.68
CCN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007641828	0	35	-1.0	-53.43	314.30	4.11	-49.32
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)CCO1	REAL300007641829	0	37	-1.0	-51.38	336.59	4.15	-47.23
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CCO1	REAL300007641830	0	44	-1.0	-52.30	376.90	6.75	-45.55
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641831	0	38	-1.0	-61.90	329.42	4.71	-57.19
O=C([O-])C1CN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CCO1	REAL300007641832	0	40	-1.0	-55.28	352.31	5.03	-50.25
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3NC=CC=C23)CCO1	REAL300007641833	0	33	-1.0	-67.54	292.40	2.57	-64.97
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641834	0	52	-1.0	-50.17	402.37	6.35	-43.82
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641835	0	38	-1.0	-58.61	339.23	0.18	-58.43
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC(F)=C2)CCO1	REAL300007641836	0	33	-1.0	-54.41	295.69	4.25	-50.16
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007641837	0	43	-1.0	-53.60	351.78	5.75	-47.85
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641838	0	40	-1.0	-52.24	332.90	4.88	-47.36
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CCO1	REAL300007641839	0	35	-1.0	-55.98	314.67	3.61	-52.37
O=C([O-])C1CN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CCO1	REAL300007641840	0	37	-1.0	-54.50	326.90	4.57	-49.93
CCOCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641841	0	44	-1.0	-52.17	372.50	3.92	-48.25
CCCCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641842	0	46	-1.0	-50.04	381.51	6.04	-44.00
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2CCCC3)CCO1	REAL300007641843	0	40	-1.0	-50.56	310.70	5.54	-45.02
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CCO1	REAL300007641844	0	36	-1.0	-50.85	317.53	5.16	-45.69
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CCO1	REAL300007641845	0	34	-1.0	-49.87	322.05	4.93	-44.94
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3COCC3=C2)CCO1	REAL300007641846	0	35	-1.0	-49.64	302.31	2.74	-46.90
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)CCO1	REAL300007641847	0	38	-1.0	-60.26	329.31	4.74	-55.52
O=C([O-])C1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCO1	REAL300007641848	0	36	-1.0	-61.04	305.74	-0.19	-61.23
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CCO1	REAL300007641849	0	35	-1.0	-54.03	313.89	3.65	-50.38
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1	REAL300007641850	0	40	-1.0	-49.41	321.34	3.98	-45.43
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641851	0	38	-1.0	-56.24	342.96	-0.39	-56.63
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2OC(F)F)CCO1	REAL300007641852	0	34	-1.0	-49.07	299.36	3.56	-45.51
CSC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641853	0	34	-1.0	-50.26	305.87	4.49	-45.77
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CCO1	REAL300007641854	0	36	-1.0	-54.76	328.34	5.20	-49.56
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641855	0	41	-1.0	-53.65	333.50	4.93	-48.72
CCN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)N=C1C	REAL300007641856	0	36	-1.0	-54.92	312.07	3.24	-51.68
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2OCCO3)CCO1	REAL300007641857	0	36	-1.0	-51.03	302.19	3.02	-48.01
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)CCO1	REAL300007641858	0	35	-1.0	-52.41	297.18	3.90	-48.51
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)CCO1	REAL300007641859	0	42	-1.0	-52.27	360.06	5.43	-46.84
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300007641860	0	36	-1.0	-47.47	320.77	4.96	-42.51
O=C([O-])C1CN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CCO1	REAL300007641861	0	36	-1.0	-50.49	337.91	4.10	-46.39
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CCO1	REAL300007641862	0	39	-1.0	-49.73	331.16	5.05	-44.68
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C12	REAL300007641863	0	38	-1.0	-53.50	332.65	3.18	-50.32
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641864	0	37	-1.0	-52.94	335.04	4.03	-48.91
COCC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641865	0	37	-1.0	-53.27	321.41	3.16	-50.11
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=C2O1	REAL300007641866	0	41	-1.0	-54.96	329.03	4.31	-50.65
O=C([O-])C1CN(S(=O)(=O)CC2=CC=CC=C2Cl)CCO1	REAL300007641867	0	33	-1.0	-50.85	303.62	4.61	-46.24
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)CCO1	REAL300007641868	0	42	-1.0	-66.47	362.26	1.97	-64.50
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CCO1	REAL300007641869	0	37	-1.0	-51.77	336.14	3.95	-47.82
O=C([O-])C1CN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CCO1	REAL300007641870	0	38	-1.0	-55.16	325.17	4.18	-50.98
O=C([O-])C1CN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CCO1	REAL300007641871	0	33	-1.0	-51.97	317.07	5.03	-46.94
CC1CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C2O1	REAL300007641872	0	38	-1.0	-50.90	323.39	4.06	-46.84
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641873	0	42	-1.0	-48.99	321.03	6.36	-42.63
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641874	0	42	-1.0	-54.09	342.30	1.87	-52.22
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CCO1	REAL300007641875	0	41	-1.0	-52.08	371.08	6.81	-45.27
O=C([O-])C1CN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CCO1	REAL300007641876	0	36	-1.0	-51.59	331.54	4.03	-47.56
O=C([O-])C1CN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)CCO1	REAL300007641877	0	36	-1.0	-50.19	348.25	4.55	-45.64
CC1=NC(C2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2)=CO1	REAL300007641878	0	39	-1.0	-53.83	342.06	2.54	-51.29
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007641879	0	33	-1.0	-50.31	305.66	2.10	-48.21
O=C([O-])C1CN(S(=O)(=O)C2=CC3=CC=CC=C3O2)CCO1	REAL300007641880	0	33	-1.0	-50.49	296.10	3.84	-46.65
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCOC3=C2)CCO1	REAL300007641881	0	33	-1.0	-49.10	292.35	2.08	-47.02
COC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300007641882	0	33	-1.0	-50.54	293.51	0.13	-50.41
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3CCCN23)CCO1	REAL300007641883	0	34	-1.0	-55.39	294.29	2.88	-52.51
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCCCC3=C2)CCO1	REAL300007641884	0	38	-1.0	-50.25	320.04	4.07	-46.18
O=C([O-])C1CN(S(=O)(=O)C2CC3=CC=CC=C3C2)CCO1	REAL300007641885	0	37	-1.0	-50.48	307.77	5.17	-45.31
CC1=CC=C(N2C=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=N2)C=C1	REAL300007641886	0	40	-1.0	-51.10	348.30	5.25	-45.85
CC1CC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300007641887	0	38	-1.0	-48.53	340.11	4.56	-43.97
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007641888	0	35	-1.0	-49.17	310.53	4.62	-44.55
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300007641889	0	41	-1.0	-54.09	354.07	4.20	-49.89
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3C=CSC3=C2)CCO1	REAL300007641890	0	32	-1.0	-50.48	298.32	2.93	-47.55
CN(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641891	0	38	-1.0	-52.35	317.15	3.88	-48.47
CC1=CC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2C=C1	REAL300007641892	0	39	-1.0	-51.93	332.83	6.39	-45.54
COC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)SC=C1	REAL300007641893	0	31	-1.0	-53.19	286.63	2.45	-50.74
CN(C)C1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641894	0	38	-1.0	-51.38	317.44	3.83	-47.55
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2OCC3)CCO1	REAL300007641895	0	35	-1.0	-54.54	299.92	3.35	-51.19
O=C([O-])C1CN(S(=O)(=O)CC2=NOC3=CC=CC=C32)CCO1	REAL300007641896	0	35	-1.0	-55.07	312.77	3.54	-51.53
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCOC3=C2)CCO1	REAL300007641897	0	35	-1.0	-50.29	302.11	3.28	-47.01
O=C([O-])C1CN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)CCO1	REAL300007641898	0	36	-1.0	-52.03	327.60	5.49	-46.54
CN1CCCC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C21	REAL300007641899	0	42	-1.0	-50.19	340.82	4.00	-46.19
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CCO1	REAL300007641900	0	32	-1.0	-50.82	301.82	2.76	-48.06
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641901	0	38	-1.0	-57.24	319.60	3.94	-53.30
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641902	0	38	-1.0	-54.15	315.13	4.93	-49.22
CC1=CC=C(C)C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300007641903	0	38	-1.0	-51.34	316.26	6.48	-44.86
CC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007641904	0	38	-1.0	-46.53	313.88	4.92	-41.61
COC1=CC=C(CCS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641905	0	40	-1.0	-53.30	340.38	4.27	-49.03
COC1=CN=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641906	0	33	-1.0	-50.71	290.80	0.90	-49.81
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300007641907	0	39	-1.0	-50.83	339.32	5.09	-45.74
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)CCO1	REAL300007641908	0	37	-1.0	-50.73	314.90	5.56	-45.17
COC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC(OC)=C1	REAL300007641909	0	38	-1.0	-52.59	325.33	2.05	-50.54
O=C([O-])C1CN(S(=O)(=O)CCC2CCCCC2)CCO1	REAL300007641910	0	42	-1.0	-51.16	331.65	5.14	-46.02
CC1=CC=C(CCS(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641911	0	39	-1.0	-52.17	332.28	5.64	-46.53
CC1=CC2=C(C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1)OCO2	REAL300007641912	0	36	-1.0	-47.69	295.78	2.41	-45.28
O=C([O-])C1CN(S(=O)(=O)C2=C3OC=CC3=CC=C2)CCO1	REAL300007641913	0	33	-1.0	-54.78	292.51	3.75	-51.03
COC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Cl	REAL300007641914	0	34	-1.0	-49.06	311.86	3.30	-45.76
CN1C=NC2=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=CC=C21	REAL300007641915	0	36	-1.0	-60.22	314.59	4.78	-55.44
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007641916	0	38	-1.0	-59.83	315.14	4.96	-54.87
CC1=NC2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2O1	REAL300007641917	0	35	-1.0	-53.36	309.99	1.11	-52.25
CCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1CC	REAL300007641918	0	42	-1.0	-50.65	343.48	6.01	-44.64
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641919	0	38	-1.0	-47.60	317.01	5.57	-42.03
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641920	0	40	-1.0	-51.89	325.16	4.99	-46.90
CC1=C(C)SC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641921	0	33	-1.0	-50.98	298.52	3.79	-47.19
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641922	0	31	-1.0	-45.74	283.31	1.33	-44.41
CCC1=NC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300007641923	0	32	-1.0	-48.71	296.34	2.02	-46.69
CN(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300007641924	0	37	-1.0	-53.24	315.10	3.26	-49.98
CC1=CC(C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300007641925	0	33	-1.0	-49.23	295.16	4.08	-45.15
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CCO1	REAL300007641926	0	36	-1.0	-56.10	312.95	4.73	-51.37
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2OCO3)CCO1	REAL300007641927	0	33	-1.0	-53.20	290.65	2.08	-51.12
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC(C)=C1F	REAL300007641928	0	36	-1.0	-48.35	313.37	4.78	-43.57
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CCO1	REAL300007641929	0	37	-1.0	-51.74	322.34	3.19	-48.55
O=C([O-])C1CN(S(=O)(=O)CCCOCC2=CC=CC=C2)CCO1	REAL300007641930	0	43	-1.0	-54.53	366.31	5.02	-49.51
O=C([O-])C1CN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)CCO1	REAL300007641931	0	34	-1.0	-53.67	297.35	3.28	-50.39
O=C([O-])C1CN(S(=O)(=O)C2=C3N=CSC3=CC=C2)CCO1	REAL300007641932	0	32	-1.0	-55.76	294.53	3.10	-52.66
CC1=NC(CS(=O)(=O)N2CCOC(C(=O)[O-])C2)=CS1	REAL300007641933	0	32	-1.0	-55.52	296.71	1.84	-53.68
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(Cl)C=C2)CCO1	REAL300007641934	0	33	-1.0	-50.93	306.87	4.68	-46.25
CC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CC=C1Cl	REAL300007641935	0	33	-1.0	-48.29	301.79	4.54	-43.75
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CCO1	REAL300007641936	0	36	-1.0	-53.04	314.42	4.41	-48.63
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=C2)=N1	REAL300007641937	0	39	-1.0	-52.64	351.91	4.94	-47.70
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2OCCC3)CCO1	REAL300007641938	0	38	-1.0	-52.84	311.00	4.61	-48.23
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CCO1	REAL300007641939	0	37	-1.0	-59.05	331.42	1.31	-57.74
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)CCO1	REAL300007641940	0	39	-1.0	-55.44	323.09	3.81	-51.63
O=C([O-])C1CN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)CCO1	REAL300007641941	0	33	-1.0	-51.47	309.94	4.67	-46.80
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641942	0	55	-1.0	-49.87	446.01	8.39	-41.48
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C1	REAL300007641943	0	43	-1.0	-54.13	356.37	5.10	-49.03
COC(CS(=O)(=O)N1CCOC(C(=O)[O-])C1)C1CCCC1	REAL300007641944	0	43	-1.0	-49.75	340.77	3.72	-46.03
COC(CS(=O)(=O)N1CCOC(C(=O)[O-])C1)C1CCCCC1	REAL300007641945	0	46	-1.0	-52.16	359.04	4.63	-47.53
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)CCO1	REAL300007641946	0	44	-1.0	-54.84	383.81	6.79	-48.05
CCOC(CS(=O)(=O)N1CCOC(C(=O)[O-])C1)C1CC1	REAL300007641947	0	40	-1.0	-51.65	330.14	3.97	-47.68
CCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(C)C	REAL300007641948	0	49	-1.0	-50.49	397.79	6.49	-44.00
CCC1=NC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=CN1CC1CC1	REAL300007641949	0	43	-1.0	-57.24	360.70	5.24	-52.00
O=C([O-])C1CN(S(=O)(=O)C2=CN=C(C3CC3)S2)CCO1	REAL300007641950	0	33	-1.0	-49.10	306.05	2.94	-46.16
CC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300007641951	0	38	-1.0	-54.91	318.10	5.28	-49.63
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641952	0	37	-1.0	-48.43	309.69	3.22	-45.21
O=C([O-])C1CN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CCO1	REAL300007641953	0	43	-1.0	-48.71	364.97	5.64	-43.07
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641954	0	33	-1.0	-45.96	306.70	2.07	-43.89
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)CCO1	REAL300007641955	0	41	-1.0	-49.51	366.94	7.54	-41.97
O=C([O-])C1CN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CCO1	REAL300007641956	0	40	-1.0	-55.25	326.82	6.89	-48.36
CCC1=CC(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=C(C)C=C1OC	REAL300007641957	0	43	-1.0	-51.08	341.19	4.55	-46.53
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)CCO1	REAL300007641958	0	36	-1.0	-48.63	336.88	5.33	-43.30
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)=N1	REAL300007641959	0	32	-1.0	-59.56	290.01	2.25	-57.31
CC1=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300007641960	0	39	-1.0	-55.12	315.54	6.48	-48.64
CC(C)OC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=N1	REAL300007641961	0	39	-1.0	-48.74	335.51	2.00	-46.74
COC1=C(F)C=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641962	0	34	-1.0	-53.54	297.66	3.49	-50.05
CCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(C)C	REAL300007641963	0	46	-1.0	-50.89	376.29	5.69	-45.20
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1F	REAL300007641964	0	42	-1.0	-47.34	344.55	5.69	-41.65
O=C([O-])C1CN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)CCO1	REAL300007641965	0	49	-1.0	-52.50	391.22	8.00	-44.50
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641966	0	40	-1.0	-49.22	321.46	3.36	-45.86
CN1C=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300007641967	0	42	-1.0	-50.33	335.09	3.70	-46.63
O=C([O-])C1CN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)CCO1	REAL300007641968	0	40	-1.0	-52.62	333.73	3.80	-48.82
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641969	0	33	-1.0	-50.84	292.91	2.18	-48.66
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641970	0	37	-1.0	-53.59	324.71	3.58	-50.01
C=CCCC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1	REAL300007641971	0	40	-1.0	-49.98	343.55	6.22	-43.76
CCC1=NN(C)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641972	0	36	-1.0	-52.78	302.99	2.16	-50.62
CCCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(C)C	REAL300007641973	0	52	-1.0	-50.49	419.29	7.27	-43.22
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)CCO1	REAL300007641974	0	34	-1.0	-50.28	314.27	5.17	-45.11
CCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(C)(C)C	REAL300007641975	0	52	-1.0	-50.75	410.35	7.16	-43.59
CCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1CC	REAL300007641976	0	46	-1.0	-49.22	380.88	5.95	-43.27
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641977	0	36	-1.0	-47.43	306.28	5.35	-42.08
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641978	0	36	-1.0	-51.84	326.33	5.39	-46.45
O=C([O-])C1CN(S(=O)(=O)C=CC2=CC=CC=C2Cl)CCO1	REAL300007641979	0	34	-1.0	-50.97	311.78	5.08	-45.89
CCCC1=CC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641980	0	39	-1.0	-50.80	315.06	5.88	-44.92
COC1=NC=CC=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641981	0	33	-1.0	-52.69	287.44	0.68	-52.01
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641982	0	46	-1.0	-49.53	379.86	6.24	-43.29
O=C([O-])C1CN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)CCO1	REAL300007641983	0	35	-1.0	-54.60	297.23	4.02	-50.58
CC1=CSC(C)=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641984	0	33	-1.0	-49.43	286.41	4.07	-45.36
O=C([O-])C1CN(S(=O)(=O)C2=CN(C3CCC3)N=C2)CCO1	REAL300007641985	0	37	-1.0	-49.39	316.23	3.13	-46.26
O=C([O-])C1CN(S(=O)(=O)C2=CC=NN2C2CCC2)CCO1	REAL300007641986	0	37	-1.0	-48.78	312.01	3.22	-45.56
O=C([O-])C1CN(S(=O)(=O)C2=CC=NN2CC2CCC2)CCO1	REAL300007641987	0	40	-1.0	-48.61	328.93	3.83	-44.78
CC1(C)COC2=C(S(=O)(=O)N3CCOC(C(=O)[O-])C3)C=NN2C1	REAL300007641988	0	41	-1.0	-51.44	340.72	1.46	-49.98
O=C([O-])C1CN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CCO1	REAL300007641989	0	36	-1.0	-51.32	332.38	4.36	-46.96
O=C([O-])C1CN(S(=O)(=O)C2=CN=C3CCCCN32)CCO1	REAL300007641990	0	37	-1.0	-53.36	307.46	3.36	-50.00
CCCCCOC1=CC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C(C)C	REAL300007641991	0	55	-1.0	-50.50	440.79	8.05	-42.45
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)C=C1C	REAL300007641992	0	46	-1.0	-51.52	365.09	5.47	-46.05
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641993	0	40	-1.0	-51.87	332.31	4.82	-47.05
CC1CC2=CC=CC(S(=O)(=O)N3CCOC(C(=O)[O-])C3)=C2O1	REAL300007641994	0	38	-1.0	-54.95	321.03	4.12	-50.83
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCOC(C(=O)[O-])C2)S1	REAL300007641995	0	38	-1.0	-50.06	334.21	3.12	-46.94
O=C([O-])C1CN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CCO1	REAL300007641996	0	36	-1.0	-51.58	317.28	3.96	-47.62
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCOC(C(=O)[O-])C1	REAL300007641997	0	35	-1.0	-58.94	307.01	3.05	-55.89
O=C([O-])C1CN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CCO1	REAL300007641998	0	39	-1.0	-49.44	309.85	3.44	-46.00
O=C([O-])C1CN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C32)CCO1	REAL300007641999	0	34	-1.0	-51.59	318.18	3.93	-47.66
O=C([O-])C1CN(S(=O)(=O)C2=CC3=NON=C3C=C2)CCO1	REAL300007642000	0	31	-1.0	-49.96	281.20	2.22	-47.74
CC1=C(Br)C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007645230	0	30	-1.0	-43.04	292.94	3.79	-39.25
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645231	0	36	-1.0	-51.51	296.03	2.54	-48.97
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C	REAL300007645232	0	36	-1.0	-49.57	322.20	-0.81	-50.38
C[C@@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007645233	0	43	-1.0	-46.47	317.58	3.90	-42.57
C[C@@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007645234	0	33	-1.0	-57.70	294.87	3.99	-53.71
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1)C(=O)[O-]	REAL300007645235	0	43	-1.0	-52.36	347.54	4.99	-47.37
C[C@@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007645236	0	36	-1.0	-47.41	308.34	0.60	-46.81
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645237	0	39	-1.0	-54.48	341.13	3.27	-51.21
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645238	0	39	-1.0	-53.18	336.40	3.37	-49.81
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007645239	0	40	-1.0	-54.20	341.47	3.51	-50.69
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645240	0	32	-1.0	-45.80	299.65	2.39	-43.41
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(OC)=C1	REAL300007645241	0	43	-1.0	-55.23	367.81	0.28	-54.95
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645242	0	29	-1.0	-45.59	281.65	2.02	-43.57
C[C@@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007645243	0	29	-1.0	-45.36	261.63	2.25	-43.11
COC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007645244	0	31	-1.0	-45.23	286.33	2.84	-42.39
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645245	0	31	-1.0	-44.34	285.19	3.99	-40.35
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645246	0	31	-1.0	-47.37	285.71	4.01	-43.36
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007645247	0	31	-1.0	-44.29	285.52	3.59	-40.70
C[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007645248	0	32	-1.0	-50.67	295.21	2.64	-48.03
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1C	REAL300007645249	0	52	-1.0	-46.61	414.60	6.46	-40.15
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1F	REAL300007645250	0	39	-1.0	-48.89	342.00	0.03	-48.86
C[C@@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007645251	0	33	-1.0	-53.35	303.78	4.25	-49.10
C[C@@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007645252	0	28	-1.0	-50.85	275.12	3.42	-47.43
C[C@@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007645253	0	28	-1.0	-50.20	270.54	3.37	-46.83
C[C@@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007645254	0	32	-1.0	-60.83	295.71	-0.05	-60.88
CC1=CC(Br)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645255	0	28	-1.0	-45.27	273.57	3.37	-41.90
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645256	0	28	-1.0	-45.49	265.39	3.56	-41.93
COC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1Br	REAL300007645257	0	29	-1.0	-44.56	280.85	2.08	-42.48
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Cl	REAL300007645258	0	33	-1.0	-49.31	293.06	1.86	-47.45
C[C@@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007645259	0	28	-1.0	-51.22	275.14	1.11	-50.11
C[C@@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007645260	0	28	-1.0	-52.07	260.99	1.10	-50.97
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645261	0	36	-1.0	-51.56	287.19	0.32	-51.24
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1I	REAL300007645262	0	28	-1.0	-46.08	276.52	3.72	-42.36
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645263	0	37	-1.0	-52.07	334.52	1.31	-50.76
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645264	0	42	-1.0	-51.58	367.86	1.80	-49.78
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645265	0	42	-1.0	-56.86	373.99	0.59	-56.27
C[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007645266	0	33	-1.0	-50.53	309.88	-1.12	-51.65
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])S1	REAL300007645267	0	39	-1.0	-54.54	366.00	-0.26	-54.80
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(OC)=C1	REAL300007645268	0	40	-1.0	-55.42	346.32	-0.52	-55.94
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(F)=C1	REAL300007645269	0	39	-1.0	-52.90	346.02	0.08	-52.82
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645270	0	39	-1.0	-49.75	350.01	-0.11	-49.86
C[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007645271	0	36	-1.0	-61.80	310.65	2.06	-59.74
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1F	REAL300007645272	0	39	-1.0	-49.38	353.08	0.55	-48.83
C[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007645273	0	40	-1.0	-57.00	330.15	2.94	-54.06
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1F	REAL300007645274	0	36	-1.0	-49.45	331.35	-0.23	-49.68
C[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007645275	0	40	-1.0	-48.19	344.68	2.54	-45.65
C[C@@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007645276	0	37	-1.0	-53.36	322.44	2.12	-51.24
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645277	0	34	-1.0	-54.18	313.28	0.50	-53.68
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645278	0	35	-1.0	-57.58	308.12	-0.50	-58.08
CCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300007645279	0	32	-1.0	-46.94	302.69	3.00	-43.94
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007645280	0	39	-1.0	-48.67	339.25	5.14	-43.53
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007645281	0	29	-1.0	-45.36	271.97	2.70	-42.66
C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007645282	0	31	-1.0	-47.26	311.56	0.20	-47.06
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645283	0	32	-1.0	-51.05	300.01	2.68	-48.37
C[C@@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007645284	0	39	-1.0	-46.72	344.07	4.03	-42.69
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645285	0	32	-1.0	-49.40	287.12	3.16	-46.24
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C21	REAL300007645286	0	37	-1.0	-48.50	321.74	3.62	-44.88
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007645287	0	31	-1.0	-45.71	288.39	3.34	-42.37
C[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007645288	0	28	-1.0	-45.71	286.30	4.05	-41.66
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007645289	0	31	-1.0	-46.24	292.58	4.87	-41.37
C[C@@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007645290	0	28	-1.0	-47.48	285.51	4.00	-43.48
C[C@@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007645291	0	31	-1.0	-52.46	289.86	4.98	-47.48
C[C@@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007645292	0	31	-1.0	-48.91	292.08	3.86	-45.05
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007645293	0	39	-1.0	-51.52	333.30	5.48	-46.04
C[C@@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007645294	0	38	-1.0	-52.68	338.51	3.65	-49.03
C[C@@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007645295	0	36	-1.0	-55.43	330.06	-0.84	-56.27
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007645296	0	34	-1.0	-46.67	296.04	4.99	-41.68
C[C@@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007645297	0	31	-1.0	-50.25	291.41	4.04	-46.21
COC1=CC(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Cl	REAL300007645298	0	32	-1.0	-46.74	292.66	2.76	-43.98
C[C@@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007645299	0	34	-1.0	-62.28	314.75	0.31	-61.97
CSC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Cl	REAL300007645300	0	29	-1.0	-46.95	286.37	3.56	-43.39
C[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007645301	0	33	-1.0	-46.26	302.01	0.63	-45.63
C[C@@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007645302	0	36	-1.0	-46.08	327.66	1.88	-44.20
C[C@@H](NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007645303	0	31	-1.0	-46.01	298.03	4.96	-41.05
CCC1=CC(CC)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(CC)=C1	REAL300007645304	0	43	-1.0	-46.19	332.30	6.71	-39.48
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645305	1	40	-1.0	-50.32	344.20	-0.81	-51.13
C[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007645306	0	31	-1.0	-45.01	299.70	0.14	-44.87
C[C@@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007645307	0	34	-1.0	-56.20	298.41	5.86	-50.34
C[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007645309	0	33	-1.0	-45.77	300.31	3.34	-42.43
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645310	0	32	-1.0	-45.97	302.66	2.32	-43.65
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007645311	0	25	-1.0	-44.18	263.27	2.32	-41.86
COC1=CC=C2C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])CCC2=C1	REAL300007645312	0	37	-1.0	-48.03	316.34	3.82	-44.21
C[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007645313	0	36	-1.0	-60.52	303.54	-0.81	-61.33
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C12	REAL300007645314	0	40	-1.0	-48.97	354.50	5.34	-43.63
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C12	REAL300007645315	0	44	-1.0	-46.85	372.60	2.86	-43.99
CCC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007645316	0	33	-1.0	-47.70	293.25	3.94	-43.76
C[C@@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007645317	0	25	-1.0	-44.70	252.39	2.70	-42.00
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645318	0	32	-1.0	-49.89	290.52	3.50	-46.39
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007645319	0	31	-1.0	-49.20	286.36	2.84	-46.36
C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)C(=O)[O-]	REAL300007645320	0	41	-1.0	-50.40	359.38	-0.35	-50.75
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645321	0	42	-1.0	-49.52	367.61	1.81	-47.71
C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007645322	0	36	-1.0	-50.06	327.18	0.06	-50.00
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300007645323	0	29	-1.0	-47.48	281.07	2.06	-45.42
C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007645324	0	31	-1.0	-42.87	308.65	4.10	-38.77
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1Br	REAL300007645325	0	28	-1.0	-44.75	270.59	3.26	-41.49
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)=C1	REAL300007645326	0	39	-1.0	-46.70	341.18	5.61	-41.09
C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007645327	0	29	-1.0	-44.73	277.08	1.87	-42.86
C[C@@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007645328	0	34	-1.0	-48.45	293.65	2.03	-46.42
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645329	0	41	-1.0	-50.99	323.61	4.30	-46.69
C[C@@H](NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300007645330	0	32	-1.0	-49.07	306.53	4.47	-44.60
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645331	0	29	-1.0	-49.34	268.94	2.59	-46.75
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645332	0	43	-1.0	-46.19	334.94	5.99	-40.20
CCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1OCC	REAL300007645333	0	39	-1.0	-47.72	333.37	3.15	-44.57
C[C@@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007645334	0	30	-1.0	-51.52	285.28	-2.96	-54.48
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007645335	0	33	-1.0	-47.26	292.72	3.80	-43.46
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1C	REAL300007645336	0	33	-1.0	-48.51	292.32	4.25	-44.26
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007645337	0	31	-1.0	-53.36	278.87	2.84	-50.52
C[C@@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007645338	0	30	-1.0	-53.03	285.12	-2.94	-55.97
C[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007645339	0	37	-1.0	-52.84	340.19	-0.07	-52.91
C[C@@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007645340	0	33	-1.0	-48.08	298.78	3.65	-44.43
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C	REAL300007645341	0	33	-1.0	-54.74	288.63	4.78	-49.96
C[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007645342	0	36	-1.0	-51.77	326.54	0.09	-51.68
C[C@@H](NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007645343	0	37	-1.0	-57.20	316.96	1.45	-55.75
C[C@@H](NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007645344	0	31	-1.0	-54.85	291.63	-0.38	-55.23
C[C@@H](NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007645345	0	35	-1.0	-50.48	297.14	6.02	-44.46
C[C@@H](NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007645346	0	35	-1.0	-48.11	305.27	5.50	-42.61
C[C@@H](NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007645347	0	39	-1.0	-48.47	326.35	4.33	-44.14
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007645348	0	30	-1.0	-49.47	287.50	4.56	-44.91
C[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007645349	0	36	-1.0	-47.18	336.77	5.50	-41.68
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645350	0	31	-1.0	-46.15	275.64	2.66	-43.49
C[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007645351	0	36	-1.0	-45.81	336.50	5.44	-40.37
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)C=C1	REAL300007645352	0	40	-1.0	-47.12	349.27	4.22	-42.90
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(C(C)C)=C1	REAL300007645353	0	52	-1.0	-46.76	393.52	8.16	-38.60
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300007645354	0	41	-1.0	-49.28	341.43	5.40	-43.88
C[C@@H](NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007645355	0	28	-1.0	-50.47	285.97	3.76	-46.71
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300007645356	0	35	-1.0	-49.83	301.45	3.82	-46.01
C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)C(=O)[O-]	REAL300007645357	0	43	-1.0	-48.85	368.20	2.07	-46.78
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007645358	0	41	-1.0	-51.25	350.71	-0.26	-51.51
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645359	0	33	-1.0	-49.35	292.19	4.57	-44.78
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645360	0	41	-1.0	-46.36	343.00	4.41	-41.95
C[C@@H](NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007645361	0	39	-1.0	-46.81	325.14	4.27	-42.54
CC(C)COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645362	0	38	-1.0	-46.49	324.04	3.80	-42.69
C[C@@H](NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007645363	0	29	-1.0	-46.88	286.21	2.23	-44.65
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1OC(C)C	REAL300007645364	0	38	-1.0	-47.11	320.45	3.67	-43.44
COCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645365	0	36	-1.0	-48.62	315.83	1.59	-47.03
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645366	0	28	-1.0	-44.80	267.97	3.61	-41.19
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1C	REAL300007645367	0	33	-1.0	-54.94	281.36	5.01	-49.93
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645368	0	34	-1.0	-56.63	307.35	0.51	-56.12
C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007645369	0	37	-1.0	-49.93	339.87	-0.06	-49.99
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645370	0	33	-1.0	-50.47	307.44	-1.74	-52.21
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645371	0	33	-1.0	-52.88	289.89	0.49	-52.39
C[C@@H](NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007645372	0	35	-1.0	-49.67	305.04	5.51	-44.16
C[C@@H](NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007645373	0	28	-1.0	-49.09	287.29	3.82	-45.27
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])S2)=CS1	REAL300007645374	0	31	-1.0	-47.59	310.14	2.67	-44.92
C[C@@H](NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007645375	0	45	-1.0	-46.17	365.43	5.71	-40.46
C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007645376	0	36	-1.0	-48.27	315.27	6.20	-42.07
CC1=CC=C(S(=O)(=O)OC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)C=C1	REAL300007645377	0	42	-1.0	-49.28	377.57	3.73	-45.55
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007645378	0	38	-1.0	-51.53	330.90	5.92	-45.61
C[C@@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007645379	0	32	-1.0	-48.23	302.01	2.77	-45.46
C[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007645380	0	39	-1.0	-47.69	342.11	5.38	-42.31
C[C@@H](NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007645381	0	35	-1.0	-49.72	316.93	3.62	-46.10
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645382	0	47	-1.0	-42.83	375.48	5.28	-37.55
C[C@@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007645383	0	33	-1.0	-53.87	304.65	-1.21	-55.08
C[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007645384	0	40	-1.0	-53.40	352.75	1.22	-52.18
CCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300007645385	0	38	-1.0	-49.29	323.11	4.75	-44.54
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645386	0	39	-1.0	-48.79	337.92	2.54	-46.25
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645387	0	41	-1.0	-46.42	346.93	4.67	-41.75
C[C@@H](NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007645388	0	31	-1.0	-52.17	278.36	3.89	-48.28
C[C@@H](NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007645389	0	29	-1.0	-45.19	287.47	3.54	-41.65
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645390	0	33	-1.0	-51.46	307.68	-1.75	-53.21
C[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCCC2)=C1)C(=O)[O-]	REAL300007645391	0	46	-1.0	-53.49	378.75	2.78	-50.71
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1S(=O)(=O)N1CCOCC1	REAL300007645392	0	44	-1.0	-54.39	364.90	0.03	-54.36
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1S(=O)(=O)N1CCCCC1	REAL300007645393	0	46	-1.0	-52.63	371.74	2.40	-50.23
CC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645394	0	46	-1.0	-51.57	384.74	3.03	-48.54
C[C@@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)C(=O)[O-]	REAL300007645395	0	43	-1.0	-52.96	368.17	2.07	-50.89
C[C@@H](NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007645396	0	31	-1.0	-51.79	292.55	3.80	-47.99
C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Br)C=C2)=N1)C(=O)[O-]	REAL300007645397	0	31	-1.0	-47.50	318.81	3.37	-44.13
C[C@@H](NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007645398	0	37	-1.0	-49.71	326.19	4.12	-45.59
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(F)(F)F	REAL300007645399	0	31	-1.0	-45.97	285.28	3.61	-42.36
C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007645400	0	31	-1.0	-47.87	303.92	2.82	-45.05
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645401	0	32	-1.0	-51.72	298.72	2.71	-49.01
C[C@@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007645402	0	36	-1.0	-51.03	347.91	-0.45	-51.48
C[C@@H](NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007645403	0	37	-1.0	-59.84	327.67	0.58	-59.26
C[C@@H](NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007645404	0	32	-1.0	-50.02	299.82	2.60	-47.42
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300007645405	0	33	-1.0	-49.27	297.45	1.97	-47.30
C[C@@H](NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C(=O)[O-]	REAL300007645406	0	38	-1.0	-52.40	353.38	4.11	-48.29
C[C@@H](NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007645407	0	33	-1.0	-52.40	292.85	2.66	-49.74
C[C@@H](NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007645408	0	28	-1.0	-50.50	281.10	3.69	-46.81
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645409	0	37	-1.0	-51.54	320.37	1.15	-50.39
C[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007645410	0	36	-1.0	-47.06	336.24	5.46	-41.60
C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC(Br)=C2)=N1)C(=O)[O-]	REAL300007645411	0	31	-1.0	-50.19	318.81	3.36	-46.83
C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007645412	0	31	-1.0	-49.29	297.52	2.75	-46.54
C[C@@H](NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007645413	0	31	-1.0	-47.60	314.24	3.27	-44.33
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)=CO1	REAL300007645414	0	34	-1.0	-50.57	307.24	1.16	-49.41
C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007645415	0	28	-1.0	-49.52	272.44	1.11	-48.41
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=N2)C=C1	REAL300007645416	0	35	-1.0	-47.80	313.11	3.84	-43.96
C[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007645417	0	33	-1.0	-45.88	304.84	3.21	-42.67
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=N1	REAL300007645418	0	36	-1.0	-51.94	318.69	2.82	-49.12
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645419	0	33	-1.0	-45.33	290.08	4.16	-41.17
CC1=CC=C(C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007645420	0	33	-1.0	-55.08	287.72	5.05	-50.03
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007645421	0	33	-1.0	-50.13	291.77	4.21	-45.92
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645422	0	33	-1.0	-42.44	286.86	4.35	-38.09
C[C@@H](NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007645423	0	38	-1.0	-52.70	330.84	3.66	-49.04
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)=N1	REAL300007645424	0	34	-1.0	-47.76	317.09	3.57	-44.19
C[C@@H](NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007645425	0	32	-1.0	-53.98	295.95	-0.04	-54.02
C[C@@H](NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007645426	0	34	-1.0	-51.39	281.50	2.43	-48.96
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645427	0	50	-1.0	-46.39	411.43	7.01	-39.38
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645428	0	35	-1.0	-49.93	312.05	4.31	-45.62
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645429	0	38	-1.0	-46.82	321.10	3.75	-43.07
C[C@@H](NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007645430	0	39	-1.0	-49.04	348.65	5.45	-43.59
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(C)C	REAL300007645431	0	44	-1.0	-46.55	362.39	5.16	-41.39
CCC1=NC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CN1CC1CC1	REAL300007645432	0	38	-1.0	-59.77	332.99	4.31	-55.46
CC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007645433	0	33	-1.0	-46.48	296.04	4.47	-42.01
C[C@@H](NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007645434	0	38	-1.0	-45.19	331.91	4.40	-40.79
C[C@@H](NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007645435	0	28	-1.0	-41.86	272.62	0.69	-41.17
C[C@@H](NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007645436	0	36	-1.0	-48.92	331.43	6.18	-42.74
CC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007645437	0	35	-1.0	-50.03	300.17	5.62	-44.41
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007645438	0	45	-1.0	-47.54	386.43	6.98	-40.56
CCC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(C)C=C1OC	REAL300007645439	0	38	-1.0	-47.19	318.57	3.68	-43.51
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007645440	0	31	-1.0	-44.15	302.06	3.97	-40.18
CCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(C)C	REAL300007645441	0	41	-1.0	-46.94	340.89	4.35	-42.59
C[C@@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007645442	0	37	-1.0	-45.53	309.39	4.35	-41.18
C[C@@H](NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007645443	0	44	-1.0	-50.29	355.67	6.62	-43.67
C[C@@H](NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007645444	0	28	-1.0	-42.04	262.09	1.07	-40.97
CCCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(C)C	REAL300007645445	0	47	-1.0	-46.10	383.78	5.92	-40.18
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(C)(C)C	REAL300007645446	0	47	-1.0	-46.75	374.85	5.81	-40.94
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1CC	REAL300007645447	0	41	-1.0	-46.77	345.60	4.59	-42.18
COCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300007645448	0	36	-1.0	-49.52	336.55	2.26	-47.26
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645449	0	31	-1.0	-49.17	289.62	4.07	-45.10
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645450	0	41	-1.0	-48.27	344.31	4.83	-43.44
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)C=C1	REAL300007645451	0	40	-1.0	-46.37	359.72	5.95	-40.42
C[C@@H](NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007645452	0	36	-1.0	-50.74	296.33	0.05	-50.69
C[C@@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007645453	0	31	-1.0	-46.99	297.91	3.03	-43.96
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(C)C	REAL300007645454	0	50	-1.0	-46.28	405.52	6.69	-39.59
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C	REAL300007645455	0	41	-1.0	-48.14	331.94	4.10	-44.04
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645456	0	35	-1.0	-50.86	292.44	3.56	-47.30
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1C(C)C	REAL300007645457	0	48	-1.0	-49.04	396.37	4.58	-44.46
C[C@@H](NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007645458	0	31	-1.0	-51.28	280.90	2.60	-48.68
C[C@@H](NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007645459	0	29	-1.0	-51.03	274.23	2.16	-48.87
C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007645460	0	38	-1.0	-48.24	321.16	3.05	-45.19
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1Br	REAL300007645461	0	31	-1.0	-46.60	287.17	4.09	-42.51
C[C@@H](NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007645462	0	31	-1.0	-44.77	300.46	3.26	-41.51
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645463	0	43	-1.0	-48.58	342.69	5.99	-42.59
C[C@@H](NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007645464	0	31	-1.0	-47.00	302.04	3.97	-43.03
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007645465	0	36	-1.0	-51.28	317.60	4.97	-46.31
COC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007645466	0	34	-1.0	-62.36	295.48	3.32	-59.04
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007645467	0	30	-1.0	-43.47	282.02	1.90	-41.57
C[C@@H](NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007645468	0	28	-1.0	-43.19	276.33	3.17	-40.02
C[C@@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007645469	0	31	-1.0	-45.77	294.93	3.16	-42.61
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645470	0	35	-1.0	-45.51	327.29	2.85	-42.66
C[C@@H](NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007645471	0	25	-1.0	-48.36	250.23	2.48	-45.88
C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007645472	0	39	-1.0	-48.05	328.10	1.20	-46.85
C[C@@H](NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007645473	0	40	-1.0	-47.91	327.83	4.99	-42.92
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=NC=CC=C12	REAL300007645474	0	36	-1.0	-56.54	298.66	4.18	-52.36
C[C@@H](NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007645475	0	33	-1.0	-47.62	285.78	2.33	-45.29
C[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007645476	0	28	-1.0	-47.62	290.21	4.11	-43.51
C[C@@H](NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007645477	0	35	-1.0	-45.42	310.92	3.24	-42.18
C[C@@H](NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007645478	0	38	-1.0	-47.15	317.31	3.00	-44.15
C[C@@H](NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007645479	0	36	-1.0	-46.50	319.54	4.95	-41.55
CC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC(C)=C1Br	REAL300007645480	0	31	-1.0	-44.66	288.55	3.84	-40.82
C[C@@H](NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007645481	0	28	-1.0	-47.62	290.21	4.11	-43.51
C[C@@H](NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007645482	0	35	-1.0	-50.54	306.35	3.57	-46.97
C[C@@H](NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007645483	0	29	-1.0	-47.40	284.97	3.93	-43.47
C[C@@H](NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007645484	0	29	-1.0	-47.08	284.72	3.95	-43.13
CC1=NC(S(=O)(=O)N[C@H](C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007645485	0	34	-1.0	-48.92	306.57	1.06	-47.86
C[C@@H](NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007645486	0	42	-1.0	-50.56	307.30	4.96	-45.60
C[C@@H](NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007645487	0	29	-1.0	-55.88	278.04	1.13	-54.75
C[C@@H](NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007645488	0	35	-1.0	-51.86	313.36	4.99	-46.87
C[C@@H](NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007645489	0	47	-1.0	-47.66	360.76	6.26	-41.40
C[C@@H](NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007645490	0	29	-1.0	-48.30	281.12	2.94	-45.36
C[C@@H](NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007645491	0	29	-1.0	-48.84	276.29	1.74	-47.10
C[C@@H](NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007645492	0	34	-1.0	-45.58	309.73	2.59	-42.99
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645493	0	38	-1.0	-47.81	319.23	4.28	-43.53
C[C@@H](NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007645494	0	36	-1.0	-49.75	321.47	4.99	-44.76
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007645495	0	26	-1.0	-50.12	262.27	0.97	-49.15
CC1=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C2=NSN=C2C=C1	REAL300007645496	0	29	-1.0	-53.60	270.14	1.47	-52.13
C[C@@H](NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007645497	0	31	-1.0	-46.12	293.47	4.86	-41.26
C[C@@H](NS(=O)(=O)C1=CC=C(C(F)(C(F)(F)F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007645498	0	34	-1.0	-43.66	323.34	4.48	-39.18
C[C@@H](NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007645499	0	35	-1.0	-46.01	321.78	6.03	-39.98
C[C@@H](NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007645500	0	24	-1.0	-46.58	258.45	0.05	-46.53
CCC1=CC(S(=O)(=O)N[C@H](C)C(=O)[O-])=CC=C1Br	REAL300007645501	0	31	-1.0	-44.40	289.89	3.97	-40.43
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645502	0	38	-1.0	-42.43	322.91	3.32	-39.11
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645503	0	39	-1.0	-51.65	323.99	2.48	-49.17
C[C@@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007645504	0	31	-1.0	-48.69	290.88	4.99	-43.70
C[C@@H](NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300007645505	0	31	-1.0	-47.04	295.92	1.91	-45.13
C[C@@H](NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007645506	0	40	-1.0	-47.78	332.98	2.46	-45.32
C[C@@H](NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007645507	0	35	-1.0	-43.89	295.31	-0.03	-43.92
C[C@@H](NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007645508	0	30	-1.0	-48.09	283.48	4.31	-43.78
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C1	REAL300007645509	0	39	-1.0	-46.64	339.66	5.66	-40.98
C[C@@H](NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007645510	0	28	-1.0	-45.87	263.36	2.03	-43.84
C[C@@H](NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007645511	0	33	-1.0	-54.98	288.20	-1.95	-56.93
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C=C2)C=C1	REAL300007645512	0	48	-1.0	-47.65	402.58	7.29	-40.36
COC1=CC=C(S(=O)(=O)N[C@H](C)C(=O)[O-])C(C(F)F)=C1	REAL300007645513	0	32	-1.0	-52.28	280.16	2.83	-49.45
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C)C(=O)[O-]	REAL300007645514	0	31	-1.0	-45.69	284.65	0.25	-45.44
C[C@@H](NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007645515	0	32	-1.0	-51.04	291.33	2.56	-48.48
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H](C)C(=O)[O-])=C1	REAL300007645516	0	38	-1.0	-52.40	307.39	4.15	-48.25
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=C1)CC1=CC2=CC=CC=C2C=C1	REAL300007645517	0	44	-1.0	-59.55	381.64	8.82	-50.73
O=C([O-])C(CNS(=O)(=O)C1=CC=CC(F)=C1)CC1=CC2=CC=CC=C2C=C1	REAL300007645518	0	44	-1.0	-52.59	378.57	8.85	-43.74
CN(C)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645519	0	42	-1.0	-50.35	357.68	6.07	-44.28
CCCCN(C)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645520	0	51	-1.0	-52.71	422.59	8.49	-44.22
CCCCS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645521	0	46	-1.0	-51.30	388.25	8.09	-43.21
CCS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645522	0	40	-1.0	-53.44	344.93	6.51	-46.93
CS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645523	0	37	-1.0	-54.05	323.46	5.61	-48.44
CCCS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645524	0	43	-1.0	-53.33	366.43	7.30	-46.03
O=C([O-])C(CNS(=O)(=O)C1=CC=CS1)CC1=CC2=CC=CC=C2C=C1	REAL300007645525	0	41	-1.0	-51.42	373.03	7.84	-43.58
CC1=CC=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])S1	REAL300007645526	0	44	-1.0	-46.35	384.76	8.53	-37.82
O=C([O-])C(CNS(=O)(=O)N1CCOCC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645527	0	47	-1.0	-60.25	390.00	5.53	-54.72
CN1C=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C=N1	REAL300007645528	0	44	-1.0	-54.39	376.72	6.48	-47.91
CCN(CC)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645529	0	48	-1.0	-49.41	388.85	7.48	-41.93
CCC1=CC=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C=C1	REAL300007645530	0	50	-1.0	-58.89	424.54	10.26	-48.63
CC1=NNC=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645531	0	44	-1.0	-47.84	372.99	5.69	-42.15
O=C([O-])C(CNS(=O)(=O)CCC1CC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645532	0	47	-1.0	-62.46	398.61	8.86	-53.60
O=C([O-])C(CNS(=O)(=O)CC1=NOC=C1)CC1=CC2=CC=CC=C2C=C1	REAL300007645533	0	43	-1.0	-56.84	379.82	6.82	-50.02
CC1=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C=NN1C	REAL300007645534	0	47	-1.0	-55.45	394.50	6.95	-48.50
O=C([O-])C(CNS(=O)(=O)N1CC2CCC1C2)CC1=CC2=CC=CC=C2C=C1	REAL300007645535	0	50	-1.0	-52.75	408.87	8.40	-44.35
O=C([O-])C(CNS(=O)(=O)CC1CCCOC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645536	0	51	-1.0	-48.07	404.80	7.47	-40.60
COCCC(C)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645537	0	50	-1.0	-56.68	410.00	7.12	-49.56
CCC(C)CS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645538	0	49	-1.0	-52.86	400.38	8.70	-44.16
CCN(CC1CC1)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645539	0	52	-1.0	-53.98	414.32	8.87	-45.11
O=C([O-])C(CNS(=O)(=O)CCOCC1CC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645540	0	51	-1.0	-47.49	422.07	8.04	-39.45
COCC(C)CS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645541	0	50	-1.0	-51.35	415.43	7.15	-44.20
CCOCC(C)CS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645542	0	53	-1.0	-53.14	436.95	8.13	-45.01
CC(C)(C)CCS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645543	0	52	-1.0	-53.07	421.66	9.01	-44.06
CC1CCN(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C1	REAL300007645544	0	49	-1.0	-58.85	406.24	7.75	-51.10
CCC1=CC=CC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300007645545	0	50	-1.0	-54.00	415.06	10.21	-43.79
CC(C)CN(C)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645546	0	51	-1.0	-50.42	416.77	8.52	-41.90
CCN(C)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645547	0	45	-1.0	-49.30	374.40	6.89	-42.41
CN(C1CCCC1)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645548	0	52	-1.0	-53.10	419.76	8.61	-44.49
CCCN(C)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645549	0	48	-1.0	-49.33	395.90	7.65	-41.68
CC1=NOC(CS(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300007645550	0	46	-1.0	-56.50	401.76	7.70	-48.80
O=C([O-])C(CNS(=O)(=O)CCC1CCCO1)CC1=CC2=CC=CC=C2C=C1	REAL300007645551	0	51	-1.0	-63.35	423.42	7.62	-55.73
COC(C)CS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645552	0	47	-1.0	-52.18	398.04	6.55	-45.63
CN1N=NC=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645553	0	43	-1.0	-48.79	366.63	5.20	-43.59
O=C([O-])C(CNS(=O)(=O)CCC1CCC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645554	0	50	-1.0	-53.14	414.66	9.39	-43.75
CC(C)(C)CCCS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645555	0	55	-1.0	-53.00	443.15	9.77	-43.23
COCC1(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300007645556	0	48	-1.0	-67.21	399.22	8.10	-59.11
O=C([O-])C(CNS(=O)(=O)CC1CC(F)(F)C1)CC1=CC2=CC=CC=C2C=C1	REAL300007645557	0	47	-1.0	-51.78	406.74	8.78	-43.00
O=C([O-])C(CNS(=O)(=O)CCC1CCOC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645558	0	51	-1.0	-55.39	420.38	7.32	-48.07
CN1C=CC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=N1	REAL300007645559	0	44	-1.0	-59.07	385.94	6.37	-52.70
COC1=CC=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C=C1	REAL300007645560	0	48	-1.0	-58.69	411.14	8.12	-50.57
CC1=CC=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C=C1	REAL300007645561	0	47	-1.0	-59.24	403.05	9.49	-49.75
CCS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645562	0	40	-1.0	-53.44	344.93	6.51	-46.93
CC1=CC=CC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300007645563	0	47	-1.0	-54.09	393.57	9.45	-44.64
O=C([O-])C(CNS(=O)(=O)C=CC1=CC=CC=C1)CC1=CC2=CC=CC=C2C=C1	REAL300007645564	0	48	-1.0	-54.39	404.08	9.96	-44.43
CC1=CC=C(C)C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300007645565	0	50	-1.0	-51.81	417.22	10.39	-41.42
CC1=CC=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C=C1C	REAL300007645566	0	50	-1.0	-59.57	420.07	10.02	-49.55
CC1=CC=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C(C)=C1	REAL300007645567	0	50	-1.0	-54.34	408.33	10.34	-44.00
CCCCS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645568	0	46	-1.0	-51.30	388.25	8.09	-43.21
COC1=CC=CC=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645569	0	48	-1.0	-63.33	402.22	8.65	-54.68
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC=C1)CC1=CC2=CC=CC=C2C=C1	REAL300007645570	0	47	-1.0	-55.01	404.83	9.54	-45.47
CC1=NNC(C)=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645571	0	47	-1.0	-56.79	397.86	6.65	-50.14
CC1=NOC(C)=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645572	0	46	-1.0	-46.38	384.12	7.69	-38.69
O=C([O-])C(CNS(=O)(=O)N1CCCCCC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645573	0	52	-1.0	-58.56	408.05	8.81	-49.75
O=C([O-])C(CNS(=O)(=O)N1CCCCC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645574	0	49	-1.0	-56.98	391.63	7.83	-49.15
O=C([O-])C(CNS(=O)(=O)N1CCCC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645575	0	46	-1.0	-55.66	375.73	7.13	-48.53
CC1CCN(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300007645576	0	52	-1.0	-56.69	412.45	8.41	-48.28
COC1=CC=CC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300007645577	0	48	-1.0	-50.10	400.46	8.03	-42.07
CCC1=CC=CC=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645578	0	50	-1.0	-45.28	402.50	10.51	-34.77
CC1=CC=CC=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645579	0	47	-1.0	-54.61	386.91	9.68	-44.93
CC1=NC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=CN1C	REAL300007645580	0	47	-1.0	-65.42	405.18	7.69	-57.73
CC1=CC=C(CS(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C=C1	REAL300007645581	0	50	-1.0	-53.24	426.57	10.22	-43.02
CN1C=NC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300007645582	0	44	-1.0	-51.59	374.96	7.81	-43.78
O=C([O-])C(CNS(=O)(=O)C1=CC=CN=C1)CC1=CC2=CC=CC=C2C=C1	REAL300007645583	0	43	-1.0	-58.28	376.63	7.03	-51.25
CC1CCCCN1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645584	0	52	-1.0	-59.25	412.10	8.89	-50.36
CC(C)N(C)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645585	0	48	-1.0	-50.47	392.98	7.30	-43.17
CCCN(CCC)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645586	0	54	-1.0	-52.32	437.26	9.08	-43.24
O=C([O-])C(CNS(=O)(=O)C1CC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645587	0	41	-1.0	-64.53	354.97	7.35	-57.18
O=C([O-])C(CNS(=O)(=O)CC1CCCC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645588	0	50	-1.0	-62.89	408.62	9.24	-53.65
O=C([O-])C(CNS(=O)(=O)C1=CSC=C1)CC1=CC2=CC=CC=C2C=C1	REAL300007645589	0	41	-1.0	-52.23	363.27	7.68	-44.55
O=C([O-])C(CNS(=O)(=O)CC1CCCCC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645590	0	53	-1.0	-63.00	424.35	9.94	-53.06
CN(C1CC1)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645591	0	46	-1.0	-53.37	377.50	7.42	-45.95
CC1=CC=CC(CS(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300007645592	0	50	-1.0	-53.22	426.57	10.21	-43.01
CC1=CC=CC=C1CS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645593	0	50	-1.0	-58.18	411.73	10.06	-48.12
COCCS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645594	0	44	-1.0	-53.71	378.60	5.58	-48.13
CCCCCCCS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645595	0	55	-1.0	-51.16	452.75	10.43	-40.73
O=C([O-])C(CNS(=O)(=O)CC1CCCO1)CC1=CC2=CC=CC=C2C=C1	REAL300007645596	0	48	-1.0	-66.91	401.10	7.15	-59.76
O=C([O-])C(CNS(=O)(=O)CC1CCCCO1)CC1=CC2=CC=CC=C2C=C1	REAL300007645597	0	51	-1.0	-65.60	419.59	7.85	-57.75
O=C([O-])C(CNS(=O)(=O)CC1CC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645598	0	44	-1.0	-51.64	376.55	8.08	-43.56
CCN1C=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C=N1	REAL300007645599	0	47	-1.0	-59.38	407.73	7.37	-52.01
CC(C1CC1)N(C)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645600	0	52	-1.0	-53.17	412.99	8.76	-44.41
CN1N=CC=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645601	0	44	-1.0	-50.20	372.41	6.40	-43.80
O=C([O-])C(CNS(=O)(=O)CC1CCOC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645602	0	48	-1.0	-51.83	397.50	6.74	-45.09
CCCCCS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645603	0	49	-1.0	-53.09	409.42	8.87	-44.22
COCCN(C)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645604	0	49	-1.0	-52.28	410.02	6.13	-46.15
CN(CC1CC1)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645605	0	49	-1.0	-58.87	402.14	8.03	-50.84
CC1=CC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C(C)O1	REAL300007645606	0	47	-1.0	-58.96	406.40	8.35	-50.61
CC1=CSC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300007645607	0	44	-1.0	-45.91	384.52	8.39	-37.52
O=C([O-])C(CNS(=O)(=O)C1=CC=CO1)CC1=CC2=CC=CC=C2C=C1	REAL300007645608	0	41	-1.0	-53.99	354.85	6.77	-47.22
O=C([O-])C(CNS(=O)(=O)C1=CN=C2CCCN12)CC1=CC2=CC=CC=C2C=C1	REAL300007645609	0	48	-1.0	-60.16	409.63	8.25	-51.91
O=C([O-])C(CNS(=O)(=O)C1=COC=C1)CC1=CC2=CC=CC=C2C=C1	REAL300007645610	0	41	-1.0	-53.50	354.70	6.67	-46.83
CC1=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])SC=C1	REAL300007645611	0	44	-1.0	-46.93	377.55	8.23	-38.70
O=C([O-])C(CNS(=O)(=O)C1CCOC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645612	0	45	-1.0	-59.83	370.41	5.89	-53.94
C=CCCS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645613	0	44	-1.0	-53.25	379.24	7.87	-45.38
O=C([O-])C(CNS(=O)(=O)C1=CNC=N1)CC1=CC2=CC=CC=C2C=C1	REAL300007645614	0	41	-1.0	-58.90	360.40	6.39	-52.51
O=C([O-])C(CNS(=O)(=O)CCCF)CC1=CC2=CC=CC=C2C=C1	REAL300007645615	0	43	-1.0	-53.67	373.01	7.44	-46.23
O=C([O-])C(CNS(=O)(=O)CCCCF)CC1=CC2=CC=CC=C2C=C1	REAL300007645616	0	46	-1.0	-54.29	394.51	8.22	-46.07
CC1=NN(C)C=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645617	0	47	-1.0	-55.57	406.69	7.13	-48.44
CC1=CC=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])O1	REAL300007645618	0	44	-1.0	-59.40	386.25	7.63	-51.77
CC1=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])N(C)N=C1	REAL300007645619	0	47	-1.0	-45.90	387.83	7.18	-38.72
C=C(C)CS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645620	0	44	-1.0	-51.61	379.58	7.74	-43.87
C=CCCCS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645621	0	47	-1.0	-51.28	401.06	8.65	-42.63
O=C([O-])C(CNS(=O)(=O)CC1CCC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645622	0	47	-1.0	-57.71	384.25	8.55	-49.16
O=C([O-])C(CNS(=O)(=O)CCC1CCCC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645623	0	53	-1.0	-62.52	431.20	9.91	-52.61
CC1(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300007645624	0	44	-1.0	-64.73	371.76	8.07	-56.66
CC1=NC=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])S1	REAL300007645625	0	43	-1.0	-52.23	380.70	6.61	-45.62
CC1=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C(N)=NO1	REAL300007645626	0	45	-1.0	-49.05	378.60	6.18	-42.87
CC1=CC=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C=N1	REAL300007645627	0	46	-1.0	-53.10	388.76	7.61	-45.49
COC(CS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-])C1CC1	REAL300007645628	0	51	-1.0	-58.15	414.37	8.11	-50.04
CCC1(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300007645629	0	47	-1.0	-50.67	382.06	8.59	-42.08
CC1(C)CC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CO1	REAL300007645630	0	51	-1.0	-55.06	404.93	7.10	-47.96
O=C([O-])C(CNS(=O)(=O)CCCC1CC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645631	0	50	-1.0	-53.23	419.54	9.65	-43.58
CC1=NC=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])N1C	REAL300007645632	0	47	-1.0	-50.40	390.14	7.77	-42.63
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=N1)CC1=CC2=CC=CC=C2C=C1	REAL300007645633	0	43	-1.0	-52.36	366.78	6.83	-45.53
CCN1N=NC=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645634	0	46	-1.0	-48.52	386.09	6.12	-42.40
O=C([O-])C(CNS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1)CC1=CC2=CC=CC=C2C=C1	REAL300007645635	0	50	-1.0	-61.26	410.10	8.22	-53.04
CC1=CC=CC(C)=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645636	0	50	-1.0	-47.49	397.71	10.24	-37.25
CC1=NN(C)C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300007645637	0	47	-1.0	-55.51	403.83	7.03	-48.48
CC1=CC=CC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1C	REAL300007645638	0	50	-1.0	-54.54	404.45	10.22	-44.32
CN(C1CCC1)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645639	0	49	-1.0	-53.10	401.30	7.97	-45.13
O=C([O-])C(CNC(=O)N1CCC(F)(F)CC1)CC1=CC2=CC=CC=C2C=C1	REAL300007645640	0	48	-1.0	-50.14	390.87	10.90	-39.24
CN(C(C)(C)C)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645641	0	51	-1.0	-47.56	400.46	8.23	-39.33
CCC1=CC=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])O1	REAL300007645642	0	47	-1.0	-53.68	398.25	8.38	-45.30
CC1=CN=CC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300007645643	0	46	-1.0	-46.40	387.39	7.59	-38.81
O=C([O-])C(CNS(=O)(=O)N1CC2CC1C2)CC1=CC2=CC=CC=C2C=C1	REAL300007645644	0	47	-1.0	-52.72	393.17	7.74	-44.98
CCOCCCS(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645645	0	50	-1.0	-54.02	421.95	7.34	-46.68
O=C([O-])C(CNS(=O)(=O)CC1COCCO1)CC1=CC2=CC=CC=C2C=C1	REAL300007645646	0	49	-1.0	-61.00	400.98	5.96	-55.04
O=C([O-])C(CNS(=O)(=O)CCN1C=NN=N1)CC1=CC2=CC=CC=C2C=C1	REAL300007645647	0	45	-1.0	-58.82	396.19	6.71	-52.11
COCCC1(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])CC1	REAL300007645648	0	51	-1.0	-52.62	415.22	7.83	-44.79
CCN1N=CC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=N1	REAL300007645649	0	46	-1.0	-53.30	392.88	5.65	-47.65
CO[C@@H]1COC[C@@H]1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645650	0	49	-1.0	-55.38	409.84	5.73	-49.65
CC1=COC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300007645651	0	44	-1.0	-58.97	386.24	7.48	-51.49
CC1=CC=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])O1	REAL300007645652	0	44	-1.0	-59.40	386.25	7.63	-51.77
CCC1=NNC=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645653	0	47	-1.0	-58.12	404.37	6.52	-51.60
O=C([O-])C(CNS(=O)(=O)C1=C(Cl)OC=C1)CC1=CC2=CC=CC=C2C=C1	REAL300007645654	0	41	-1.0	-46.11	361.20	6.86	-39.25
CC1=CN=C(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])C(C)=C1	REAL300007645655	0	49	-1.0	-62.49	414.14	8.41	-54.08
CC1=CN=CC=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645656	0	46	-1.0	-50.13	391.56	7.93	-42.20
C=CCN(CC=C)S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645657	0	50	-1.0	-50.42	419.55	8.64	-41.78
CC1=CC=CN=C1S(=O)(=O)NCC(CC1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007645658	0	46	-1.0	-57.87	383.70	7.71	-50.16
CC1=CC(S(=O)(=O)NCC(CC2=CC3=CC=CC=C3C=C2)C(=O)[O-])=CC=N1	REAL300007645659	0	46	-1.0	-46.08	387.73	7.54	-38.54
O=C([O-])C(CNS(=O)(=O)N1CCC(F)(F)C1)CC1=CC2=CC=CC=C2C=C1	REAL300007645660	0	46	-1.0	-46.46	387.94	7.21	-39.25
O=C([O-])C(CNS(=O)(=O)C1=CN=CS1)CC1=CC2=CC=CC=C2C=C1	REAL300007645661	0	40	-1.0	-52.20	358.75	5.90	-46.30
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=C1)CC1=CC=CC2=CC=CC=C21	REAL300007645662	0	44	-1.0	-54.85	369.58	8.68	-46.17
O=C([O-])C(CNS(=O)(=O)C1=CC=CC(F)=C1)CC1=CC=CC2=CC=CC=C21	REAL300007645663	0	44	-1.0	-53.08	375.99	8.74	-44.34
CN(C)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645664	0	42	-1.0	-50.61	354.33	5.89	-44.72
CCCCN(C)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645665	0	51	-1.0	-50.70	419.55	8.37	-42.33
CCCCS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645666	0	46	-1.0	-51.51	384.67	7.95	-43.56
CCS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645667	0	40	-1.0	-51.70	341.08	6.35	-45.35
CS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645668	0	37	-1.0	-52.37	320.21	5.48	-46.89
CCCS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645669	0	43	-1.0	-51.57	362.58	7.15	-44.42
O=C([O-])C(CNS(=O)(=O)C1=CC=CS1)CC1=CC=CC2=CC=CC=C21	REAL300007645670	0	41	-1.0	-54.12	361.51	7.68	-46.44
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])S1	REAL300007645671	0	44	-1.0	-59.23	392.46	8.50	-50.73
O=C([O-])C(CNS(=O)(=O)N1CCOCC1)CC1=CC=CC2=CC=CC=C21	REAL300007645672	0	47	-1.0	-50.86	385.48	5.38	-45.48
CN1C=C(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C=N1	REAL300007645673	0	44	-1.0	-59.65	383.20	6.41	-53.24
CCN(CC)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645674	0	48	-1.0	-50.86	389.96	7.40	-43.46
CCC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300007645675	0	50	-1.0	-52.47	419.82	10.09	-42.38
CC1=NNC=C1S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645676	0	44	-1.0	-50.33	373.44	5.65	-44.68
O=C([O-])C(CNS(=O)(=O)CCC1CC1)CC1=CC=CC2=CC=CC=C21	REAL300007645677	0	47	-1.0	-57.40	386.55	8.70	-48.70
O=C([O-])C(CNS(=O)(=O)CC1=NOC=C1)CC1=CC=CC2=CC=CC=C21	REAL300007645678	0	43	-1.0	-55.20	375.98	6.66	-48.54
CC1=C(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C=NN1C	REAL300007645679	0	47	-1.0	-56.10	391.89	6.85	-49.25
O=C([O-])C(CNS(=O)(=O)N1CC2CCC1C2)CC1=CC=CC2=CC=CC=C21	REAL300007645680	0	50	-1.0	-60.07	406.12	8.27	-51.80
O=C([O-])C(CNS(=O)(=O)CC1CCCOC1)CC1=CC=CC2=CC=CC=C21	REAL300007645681	0	51	-1.0	-52.48	411.60	7.42	-45.06
COCCC(C)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645682	0	50	-1.0	-57.58	406.74	6.94	-50.64
CCC(C)CS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645683	0	49	-1.0	-51.21	396.55	8.54	-42.67
CCN(CC1CC1)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645684	0	52	-1.0	-51.16	419.08	8.75	-42.41
O=C([O-])C(CNS(=O)(=O)CCOCC1CC1)CC1=CC=CC2=CC=CC=C21	REAL300007645685	0	51	-1.0	-50.58	426.27	7.87	-42.71
COCC(C)CS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645686	0	50	-1.0	-51.53	411.26	6.99	-44.54
CCOCC(C)CS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645687	0	53	-1.0	-51.55	433.70	7.99	-43.56
CC(C)(C)CCS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645688	0	52	-1.0	-51.37	418.41	8.87	-42.50
CC1CCN(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C1	REAL300007645689	0	49	-1.0	-54.09	394.17	7.60	-46.49
CCC1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300007645690	0	50	-1.0	-54.67	412.47	10.11	-44.56
CC(C)CN(C)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645691	0	51	-1.0	-48.54	410.51	8.11	-40.43
CCN(C)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645692	0	45	-1.0	-50.78	376.08	6.81	-43.97
CN(C1CCCC1)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645693	0	52	-1.0	-51.33	415.61	8.43	-42.90
CCCN(C)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645694	0	48	-1.0	-50.75	398.05	7.59	-43.16
CC1=NOC(CS(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300007645695	0	46	-1.0	-65.38	399.36	7.58	-57.80
O=C([O-])C(CNS(=O)(=O)CCC1CCCO1)CC1=CC=CC2=CC=CC=C21	REAL300007645696	0	51	-1.0	-53.25	418.70	7.44	-45.81
COC(C)CS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645697	0	47	-1.0	-52.48	394.46	6.41	-46.07
CN1N=NC=C1S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645698	0	43	-1.0	-54.23	373.11	5.11	-49.12
O=C([O-])C(CNS(=O)(=O)CCC1CCC1)CC1=CC=CC2=CC=CC=C21	REAL300007645699	0	50	-1.0	-51.39	410.82	9.23	-42.16
CC(C)(C)CCCS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645700	0	55	-1.0	-51.28	439.91	9.64	-41.64
COCC1(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300007645701	0	48	-1.0	-49.48	392.96	7.17	-42.31
O=C([O-])C(CNS(=O)(=O)CC1CC(F)(F)C1)CC1=CC=CC2=CC=CC=C21	REAL300007645702	0	47	-1.0	-51.12	400.51	8.53	-42.59
O=C([O-])C(CNS(=O)(=O)CCC1CCOC1)CC1=CC=CC2=CC=CC=C21	REAL300007645703	0	51	-1.0	-53.60	417.13	7.19	-46.41
CN1C=CC(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=N1	REAL300007645704	0	44	-1.0	-59.07	381.77	6.18	-52.89
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300007645705	0	48	-1.0	-51.97	404.72	7.88	-44.09
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300007645706	0	47	-1.0	-51.89	396.63	9.25	-42.64
CCS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645707	0	40	-1.0	-51.70	341.08	6.35	-45.35
CC1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300007645708	0	47	-1.0	-54.75	390.99	9.34	-45.41
O=C([O-])C(CNS(=O)(=O)C=CC1=CC=CC=C1)CC1=CC=CC2=CC=CC=C21	REAL300007645709	0	48	-1.0	-59.85	410.56	9.89	-49.96
CC1=CC=C(C)C(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300007645710	0	50	-1.0	-60.26	414.78	10.28	-49.98
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C=C1C	REAL300007645711	0	50	-1.0	-59.75	417.07	9.91	-49.84
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C(C)=C1	REAL300007645712	0	50	-1.0	-55.04	405.73	10.23	-44.81
CCCCS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645713	0	46	-1.0	-51.51	384.67	7.95	-43.56
COC1=CC=CC=C1S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645714	0	48	-1.0	-63.62	399.24	8.54	-55.08
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC=C1)CC1=CC=CC2=CC=CC=C21	REAL300007645715	0	47	-1.0	-53.31	400.99	9.38	-43.93
CC1=NNC(C)=C1S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645716	0	47	-1.0	-53.96	393.14	6.48	-47.48
CC1=NOC(C)=C1S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645717	0	46	-1.0	-49.19	382.76	7.64	-41.55
O=C([O-])C(CNS(=O)(=O)N1CCCCCC1)CC1=CC=CC2=CC=CC=C21	REAL300007645718	0	52	-1.0	-51.10	410.51	8.78	-42.32
O=C([O-])C(CNS(=O)(=O)N1CCCCC1)CC1=CC=CC2=CC=CC=C21	REAL300007645719	0	49	-1.0	-51.61	394.10	7.80	-43.81
O=C([O-])C(CNS(=O)(=O)N1CCCC1)CC1=CC=CC2=CC=CC=C21	REAL300007645720	0	46	-1.0	-54.54	373.04	7.02	-47.52
CC1CCN(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300007645721	0	52	-1.0	-54.22	408.56	8.48	-45.74
COC1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300007645722	0	48	-1.0	-55.40	406.43	7.95	-47.45
CCC1=CC=CC=C1S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645723	0	50	-1.0	-60.39	410.46	10.49	-49.90
CC1=CC=CC=C1S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645724	0	47	-1.0	-48.59	386.02	9.57	-39.02
CC1=NC(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=CN1C	REAL300007645725	0	47	-1.0	-66.94	402.18	7.59	-59.35
CC1=CC=C(CS(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300007645726	0	50	-1.0	-53.48	423.00	10.08	-43.40
CN1C=NC(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300007645727	0	44	-1.0	-66.59	382.66	7.80	-58.79
O=C([O-])C(CNS(=O)(=O)C1=CC=CN=C1)CC1=CC=CC2=CC=CC=C21	REAL300007645728	0	43	-1.0	-53.37	364.56	6.89	-46.48
CC1CCCCN1S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645729	0	52	-1.0	-59.42	409.06	8.78	-50.64
CC(C)N(C)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645730	0	48	-1.0	-51.19	391.75	7.28	-43.91
CCCN(CCC)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645731	0	54	-1.0	-48.44	424.99	8.78	-39.66
O=C([O-])C(CNS(=O)(=O)C1CC1)CC1=CC=CC2=CC=CC=C21	REAL300007645732	0	41	-1.0	-57.11	342.87	7.22	-49.89
O=C([O-])C(CNS(=O)(=O)CC1CCCC1)CC1=CC=CC2=CC=CC=C21	REAL300007645733	0	50	-1.0	-57.89	396.56	9.09	-48.80
O=C([O-])C(CNS(=O)(=O)C1=CSC=C1)CC1=CC=CC2=CC=CC=C21	REAL300007645734	0	41	-1.0	-52.73	360.68	7.57	-45.16
O=C([O-])C(CNS(=O)(=O)CC1CCCCC1)CC1=CC=CC2=CC=CC=C21	REAL300007645735	0	53	-1.0	-58.01	412.29	9.79	-48.22
CN(C1CC1)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645736	0	46	-1.0	-58.92	383.98	7.35	-51.57
CC1=CC=CC(CS(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300007645737	0	50	-1.0	-53.45	423.00	10.07	-43.38
CC1=CC=CC=C1CS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645738	0	50	-1.0	-52.87	416.36	9.94	-42.93
COCCS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645739	0	44	-1.0	-51.88	374.76	5.42	-46.46
CCCCCCCS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645740	0	55	-1.0	-51.38	448.58	10.27	-41.11
O=C([O-])C(CNS(=O)(=O)CC1CCCO1)CC1=CC=CC2=CC=CC=C21	REAL300007645741	0	48	-1.0	-67.02	398.09	7.03	-59.99
O=C([O-])C(CNS(=O)(=O)CC1CCCCO1)CC1=CC=CC2=CC=CC=C21	REAL300007645742	0	51	-1.0	-60.65	407.52	7.69	-52.96
O=C([O-])C(CNS(=O)(=O)CC1CC1)CC1=CC=CC2=CC=CC=C21	REAL300007645743	0	44	-1.0	-50.80	370.67	7.82	-42.98
CCN1C=C(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])C=N1	REAL300007645744	0	47	-1.0	-54.48	395.66	7.23	-47.25
CC(C1CC1)N(C)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645745	0	52	-1.0	-58.62	419.47	8.69	-49.93
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CC1=NN(C)C=C1S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645762	0	47	-1.0	-54.41	395.22	6.95	-47.46
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])O1	REAL300007645763	0	44	-1.0	-51.44	379.83	7.39	-44.05
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COC(CS(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-])C1CC1	REAL300007645773	0	51	-1.0	-50.95	411.50	8.18	-42.77
CCC1(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300007645774	0	47	-1.0	-60.04	373.82	8.41	-51.63
CC1(C)CC(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CO1	REAL300007645775	0	51	-1.0	-51.45	410.62	7.01	-44.44
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CCN1N=NC=C1S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645779	0	46	-1.0	-53.90	392.57	6.03	-47.87
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CC1=CC=CC(C)=C1S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645781	0	50	-1.0	-49.24	398.64	10.19	-39.05
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CC1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=C1C	REAL300007645783	0	50	-1.0	-49.00	403.61	10.14	-38.86
CN(C1CCC1)S(=O)(=O)NCC(CC1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007645784	0	49	-1.0	-51.41	397.45	7.82	-43.59
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COCCC1(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])CC1	REAL300007645793	0	51	-1.0	-50.30	404.54	7.34	-42.96
CCN1N=CC(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=N1	REAL300007645794	0	46	-1.0	-58.74	399.36	5.58	-53.16
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CC1=COC(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300007645796	0	44	-1.0	-59.11	383.24	7.38	-51.73
CC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])O1	REAL300007645797	0	44	-1.0	-51.44	379.83	7.39	-44.05
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CC1=CC(S(=O)(=O)NCC(CC2=CC=CC3=CC=CC=C32)C(=O)[O-])=CC=N1	REAL300007645804	0	46	-1.0	-50.40	392.02	7.40	-43.00
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CC(=O)C1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300007645950	0	41	-1.0	-56.11	366.20	5.75	-50.36
CC1=CC=C(C)C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300007645951	0	42	-1.0	-50.72	361.86	6.93	-43.79
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1C	REAL300007645952	0	42	-1.0	-51.70	364.16	6.56	-45.14
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1	REAL300007645953	0	42	-1.0	-50.73	361.86	6.93	-43.80
COC1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007645954	0	42	-1.0	-56.08	381.26	6.10	-49.98
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300007645955	0	48	-1.0	-50.99	401.94	7.68	-43.31
CC(C)C1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300007645956	0	45	-1.0	-51.10	385.96	7.29	-43.81
CCCCS(=O)(=O)NCC1=CC=CC(OCC(=O)[O-])=C1	REAL300007645957	0	38	-1.0	-51.87	332.59	4.63	-47.24
CCCC1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300007645958	0	45	-1.0	-51.13	390.13	7.58	-43.55
COC1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(OCC(=O)[O-])=C1	REAL300007645959	0	40	-1.0	-52.81	346.31	5.19	-47.62
O=C([O-])COC1=CC=CC(CNS(=O)(=O)CC2=CC=CC=C2)=C1	REAL300007645960	0	39	-1.0	-53.46	349.49	6.08	-47.38
CC1=C(C)C(C)=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C(C)=C1C	REAL300007645961	0	51	-1.0	-51.23	395.39	8.22	-43.01
O=C([O-])COC1=CC=CC(CNS(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1	REAL300007645962	0	45	-1.0	-53.66	388.56	5.30	-48.36
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300007645963	0	41	-1.0	-57.33	372.62	6.66	-50.67
CC1=NNC(C)=C1S(=O)(=O)NCC1=CC=CC(OCC(=O)[O-])=C1	REAL300007645964	0	39	-1.0	-53.72	341.94	3.19	-50.53
O=C([O-])COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300007645965	0	39	-1.0	-51.24	364.47	6.36	-44.88
O=C([O-])COC1=CC=CC(CNS(=O)(=O)C2=CC=C3CCCCC3=C2)=C1	REAL300007645966	0	46	-1.0	-51.62	388.45	7.84	-43.78
COC1=CC=C(OC)C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300007645967	0	44	-1.0	-54.41	375.73	4.47	-49.94
COC1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1OC	REAL300007645968	0	44	-1.0	-54.59	384.46	4.56	-50.03
O=C([O-])COC1=CC=CC(CNS(=O)(=O)C2=CC=C3CCCC3=C2)=C1	REAL300007645969	0	43	-1.0	-51.66	371.25	7.27	-44.39
CC1=NOC(C)=C1S(=O)(=O)NCC1=CC=CC(OCC(=O)[O-])=C1	REAL300007645970	0	38	-1.0	-51.47	338.82	4.31	-47.16
O=C([O-])COC1=CC=CC(CNS(=O)(=O)C2=CC3=CC=CC=C3CC2)=C1	REAL300007645971	0	44	-1.0	-51.85	380.19	7.76	-44.09
O=C([O-])COC1=CC=CC(CNS(=O)(=O)C2=CC=C3OCCC3=C2)=C1	REAL300007645972	0	41	-1.0	-52.47	361.66	5.21	-47.26
CC(C)CCC1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300007645973	0	51	-1.0	-50.98	429.19	8.86	-42.12
CC1=CC(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)=CC([N+](=O)[O-])=C1C	REAL300007645974	0	44	-1.0	-56.44	386.82	7.07	-49.37
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)=C1C	REAL300007645975	0	44	-1.0	-51.77	385.64	7.46	-44.31
O=C([O-])COC1=CC=CC(CNS(=O)(=O)N2CCCCCC2)=C1	REAL300007645976	0	44	-1.0	-50.33	358.40	5.44	-44.89
CC1=CC2=CC=CC(S(=O)(=O)NCC3=CC=CC(OCC(=O)[O-])=C3)=C2N=C1	REAL300007645977	0	44	-1.0	-55.48	379.30	7.12	-48.36
COC1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C([N+](=O)[O-])=C1	REAL300007645978	0	42	-1.0	-59.00	372.65	6.13	-52.87
COC1=CC(Cl)=CC=C1S(=O)(=O)NCC1=CC=CC(OCC(=O)[O-])=C1	REAL300007645979	0	40	-1.0	-51.18	362.99	5.71	-45.47
O=C([O-])COC1=CC=CC(CNS(=O)(=O)N2CCCCC2)=C1	REAL300007645980	0	41	-1.0	-49.83	341.99	4.47	-45.36
O=C([O-])COC1=CC=CC(CNS(=O)(=O)N2CCCC2)=C1	REAL300007645981	0	38	-1.0	-50.60	329.20	3.72	-46.88
O=C([O-])COC1=CC=CC(CNS(=O)(=O)N2CCC3=CC=CC=C3C2)=C1	REAL300007645982	0	45	-1.0	-51.51	378.38	6.52	-44.99
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C2=CC=CN=C12	REAL300007645983	0	44	-1.0	-53.86	381.98	6.65	-47.21
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1C	REAL300007645984	0	44	-1.0	-58.35	381.57	8.03	-50.32
CC1CCN(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300007645985	0	44	-1.0	-50.04	364.72	5.18	-44.86
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300007645986	0	42	-1.0	-61.72	386.43	2.88	-58.84
O=C([O-])COC1=CC=CC(CNS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=C1	REAL300007645987	0	46	-1.0	-50.37	381.42	8.47	-41.90
CC1CC(C)CN(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300007645988	0	47	-1.0	-49.51	383.67	5.64	-43.87
O=C([O-])COC1=CC=CC(CNS(=O)(=O)C2=CC=CC3=CC=CC=C32)=C1	REAL300007645989	0	42	-1.0	-53.51	366.75	7.71	-45.80
O=C([O-])COC1=CC=CC(CNS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300007645990	0	46	-1.0	-52.86	399.92	8.77	-44.09
CC1=CC=C(F)C=C1S(=O)(=O)NCC1=CC=CC(OCC(=O)[O-])=C1	REAL300007645991	0	39	-1.0	-50.22	346.85	6.32	-43.90
O=C([O-])COC1=CC=CC(CNS(=O)(=O)C2=CC=CC3=NSN=C32)=C1	REAL300007645992	0	37	-1.0	-54.15	344.09	3.75	-50.40
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC1=CC=CC(OCC(=O)[O-])=C1	REAL300007645993	0	40	-1.0	-52.34	362.99	5.71	-46.63
COC1=CC=CC(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300007645994	0	40	-1.0	-53.78	355.23	4.65	-49.13
CCC(C)(C)C1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300007645995	0	51	-1.0	-50.97	416.16	8.15	-42.82
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1Cl	REAL300007645996	0	39	-1.0	-50.73	361.20	6.47	-44.26
CC(C)OC1=CC=C(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300007645997	0	46	-1.0	-52.29	395.00	6.20	-46.09
CCC1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(OCC(=O)[O-])=C1	REAL300007645998	0	42	-1.0	-50.34	357.16	7.13	-43.21
CC1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(OCC(=O)[O-])=C1	REAL300007645999	0	39	-1.0	-50.84	340.45	6.25	-44.59
CC1=NC(S(=O)(=O)NCC2=CC=CC(OCC(=O)[O-])=C2)=CN1C	REAL300007646000	0	39	-1.0	-59.13	349.27	4.23	-54.90
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648992	0	36	-1.0	-49.57	308.64	4.54	-45.03
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648993	0	43	-1.0	-52.26	359.07	4.84	-47.42
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)C=C1C	REAL300007648994	0	43	-1.0	-52.27	370.45	1.57	-50.70
CC1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007648995	0	50	-1.0	-46.92	364.97	6.22	-40.70
CC1=NC2=C(S(=O)(=O)N3CCC(C)(C(=O)[O-])C3)C=CC=C2C=C1	REAL300007648996	0	40	-1.0	-56.04	332.53	6.06	-49.98
CC1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007648997	0	40	-1.0	-55.03	343.85	6.47	-48.56
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007648998	0	43	-1.0	-47.81	353.40	3.08	-44.73
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007648999	0	46	-1.0	-50.69	393.67	5.71	-44.98
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C)(C(=O)[O-])C1	REAL300007649000	0	46	-1.0	-50.41	386.90	5.75	-44.66
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649588	0	33	-1.0	-48.27	294.91	4.10	-44.17
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649589	0	40	-1.0	-50.32	346.92	4.46	-45.86
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C	REAL300007649590	0	40	-1.0	-51.41	356.97	1.14	-50.27
O=C([O-])C1(F)CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007649591	0	47	-1.0	-44.97	352.61	5.83	-39.14
CC1=NC2=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=CC=C2C=C1	REAL300007649592	0	37	-1.0	-53.48	320.29	5.71	-47.77
O=C([O-])C1(F)CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007649593	0	37	-1.0	-54.43	329.33	6.08	-48.35
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007649594	0	40	-1.0	-48.63	342.51	2.74	-45.89
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649595	0	43	-1.0	-49.19	381.51	5.33	-43.86
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649596	0	43	-1.0	-48.94	374.74	5.36	-43.58
CCCN1C=NC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649597	0	35	-1.0	-50.98	312.59	4.94	-46.04
COCCOCCOCCS(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649598	0	43	-1.0	-52.72	373.01	1.50	-51.22
CC(COC1CCCC1)CS(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649599	0	45	-1.0	-46.11	365.73	5.55	-40.56
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649600	0	36	-1.0	-47.26	332.79	4.48	-42.78
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007649601	0	37	-1.0	-48.34	323.42	1.94	-46.40
COC1=CC(Br)=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649602	0	33	-1.0	-46.94	315.37	4.11	-42.83
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007649603	0	33	-1.0	-47.65	304.66	4.36	-43.29
COC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007649604	0	35	-1.0	-48.09	320.10	4.93	-43.16
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649605	0	35	-1.0	-43.32	310.56	5.65	-37.67
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649606	0	35	-1.0	-42.58	311.55	5.69	-36.89
CC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007649607	0	35	-1.0	-45.76	319.01	5.70	-40.06
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649608	0	38	-1.0	-46.58	310.93	5.79	-40.79
O=C([O-])C1(F)CCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300007649609	0	41	-1.0	-47.35	338.85	1.14	-46.21
CCOC1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649610	0	36	-1.0	-46.58	316.47	4.39	-42.19
COCCN1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=N1	REAL300007649611	0	36	-1.0	-47.13	325.14	1.81	-45.32
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300007649612	0	36	-1.0	-51.31	328.96	4.74	-46.57
O=C([O-])C1(F)CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007649613	0	37	-1.0	-53.75	338.00	6.36	-47.39
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300007649614	0	34	-1.0	-51.20	305.76	4.54	-46.66
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300007649615	0	32	-1.0	-51.27	309.56	5.52	-45.75
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300007649616	0	32	-1.0	-51.31	305.02	5.47	-45.84
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300007649617	0	36	-1.0	-58.41	329.96	2.06	-56.35
CC1=CC(Br)=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649618	0	32	-1.0	-45.96	307.28	5.46	-40.50
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649619	0	32	-1.0	-45.56	290.88	5.19	-40.37
COCC1=CC=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649620	0	36	-1.0	-45.47	313.28	4.38	-41.09
COC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CC=C1Br	REAL300007649621	0	33	-1.0	-46.62	314.49	4.15	-42.47
COC1=CC(OC)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1Cl	REAL300007649622	0	37	-1.0	-48.91	334.64	3.92	-44.99
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300007649623	0	32	-1.0	-54.07	308.54	3.26	-50.81
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300007649624	0	32	-1.0	-47.40	304.45	3.05	-44.35
CC1(C)CC2=CC(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)=CC=C2O1	REAL300007649625	0	40	-1.0	-48.55	341.97	5.42	-43.13
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300007649626	0	32	-1.0	-49.00	304.33	3.27	-45.73
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649627	0	40	-1.0	-50.85	346.41	3.12	-47.73
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649628	0	41	-1.0	-53.81	368.26	3.40	-50.41
CSC1=CC=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649629	0	33	-1.0	-48.67	294.45	4.88	-43.79
CCC1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649630	0	35	-1.0	-47.94	307.47	5.61	-42.33
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1F	REAL300007649631	0	37	-1.0	-51.77	343.53	0.96	-50.81
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649632	0	43	-1.0	-51.47	383.75	1.98	-49.49
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649633	0	40	-1.0	-58.48	345.60	3.85	-54.63
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1F	REAL300007649634	0	40	-1.0	-50.76	365.00	1.85	-48.91
CCC1=CC=C(CS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649635	0	38	-1.0	-47.49	331.81	6.33	-41.16
O=C([O-])C1(F)CCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300007649636	0	32	-1.0	-49.03	300.01	4.78	-44.25
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300007649637	0	44	-1.0	-48.70	378.33	4.62	-44.08
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300007649638	0	41	-1.0	-51.09	357.66	3.91	-47.18
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649639	0	38	-1.0	-53.98	346.75	2.60	-51.38
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649640	0	39	-1.0	-58.76	349.24	1.56	-57.20
CC1=CC=C(CS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C	REAL300007649641	0	38	-1.0	-51.06	326.70	6.11	-44.95
CCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1Br	REAL300007649642	0	36	-1.0	-49.06	336.34	5.08	-43.98
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007649643	0	43	-1.0	-49.71	373.58	7.24	-42.47
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300007649644	0	33	-1.0	-47.34	315.00	4.82	-42.52
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649645	0	36	-1.0	-48.18	335.01	4.76	-43.42
CC1(C)CN(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)CCO1	REAL300007649646	0	38	-1.0	-44.73	311.50	2.39	-42.34
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=C2S1	REAL300007649647	0	43	-1.0	-47.44	378.35	6.13	-41.31
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649648	0	36	-1.0	-48.04	328.03	5.22	-42.82
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)=CC=C21	REAL300007649649	0	41	-1.0	-48.73	356.10	5.73	-43.00
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649650	0	36	-1.0	-57.94	328.38	-1.07	-59.01
CC1=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300007649651	0	35	-1.0	-45.41	318.23	5.42	-39.99
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300007649652	0	32	-1.0	-44.94	321.02	6.12	-38.82
CC1=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300007649653	0	35	-1.0	-50.17	331.17	7.06	-43.11
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C1	REAL300007649654	0	32	-1.0	-49.44	313.34	5.90	-43.54
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300007649655	0	35	-1.0	-53.32	316.62	6.72	-46.60
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300007649656	0	35	-1.0	-49.41	325.59	5.97	-43.44
O=C([O-])C1(F)CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300007649657	0	40	-1.0	-51.61	345.67	5.53	-46.08
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300007649658	0	43	-1.0	-47.22	373.82	7.55	-39.67
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649659	0	42	-1.0	-53.42	372.01	5.76	-47.66
O=C([O-])C1(F)CCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300007649660	0	40	-1.0	-56.56	364.52	1.25	-55.31
CC1=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300007649661	0	38	-1.0	-49.72	334.65	7.17	-42.55
CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1N(C)C	REAL300007649662	0	40	-1.0	-47.26	339.19	4.84	-42.42
O=C([O-])C1(F)CCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300007649663	0	35	-1.0	-48.60	326.57	6.11	-42.49
O=C([O-])C1(F)CCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300007649664	0	34	-1.0	-50.64	300.79	1.14	-49.50
O=C([O-])C1(F)CCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300007649665	0	42	-1.0	-48.28	349.27	4.65	-43.63
COC1=CC(C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1Cl	REAL300007649666	0	36	-1.0	-47.07	318.09	4.53	-42.54
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649667	0	38	-1.0	-54.10	349.86	2.42	-51.68
CSC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1Cl	REAL300007649668	0	33	-1.0	-48.90	319.78	5.66	-43.24
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649669	0	41	-1.0	-49.38	335.26	4.49	-44.89
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300007649670	0	37	-1.0	-47.04	336.53	2.74	-44.30
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=C12	REAL300007649671	0	36	-1.0	-49.81	326.62	1.88	-47.93
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300007649672	0	40	-1.0	-49.06	361.97	4.00	-45.06
CN1N=CC2=CC(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)=CN=C21	REAL300007649673	0	34	-1.0	-47.84	309.74	3.31	-44.53
CCC1=CC(CC)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(CC)=C1	REAL300007649674	0	47	-1.0	-46.33	356.34	8.34	-37.99
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300007649675	0	36	-1.0	-55.48	311.18	4.23	-51.25
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300007649676	0	35	-1.0	-45.73	333.99	2.27	-43.46
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300007649677	0	38	-1.0	-56.46	329.71	7.99	-48.47
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C)=C1F	REAL300007649678	0	36	-1.0	-48.53	307.30	4.00	-44.53
CC1(CS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)CCCCC1	REAL300007649679	0	41	-1.0	-46.02	315.27	5.70	-40.32
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300007649680	0	38	-1.0	-48.19	326.24	5.62	-42.57
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300007649682	0	37	-1.0	-48.21	334.56	5.45	-42.76
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649683	0	36	-1.0	-46.86	336.38	4.41	-42.45
CC1=CC=C(CS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(F)=C1	REAL300007649684	0	35	-1.0	-50.87	315.03	5.62	-45.25
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300007649686	0	29	-1.0	-42.45	297.68	4.38	-38.07
O=C([O-])C1(F)CCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300007649687	0	42	-1.0	-48.11	353.92	7.48	-40.63
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=NO1	REAL300007649688	0	40	-1.0	-51.01	346.38	4.91	-46.10
O=C([O-])C1(F)CCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300007649689	0	38	-1.0	-53.28	326.34	1.34	-51.94
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007649690	0	32	-1.0	-45.60	301.29	4.65	-40.95
CC1=C(CCS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)SC=N1	REAL300007649691	0	34	-1.0	-50.58	313.75	3.42	-47.16
O=C([O-])C1(F)CCN(S(=O)(=O)CC23CCC(CC2)C3)C1	REAL300007649692	0	39	-1.0	-48.19	313.63	5.61	-42.58
O=C([O-])C1(F)CCN(S(=O)(=O)CC2CC(F)(F)C2)C1	REAL300007649693	0	32	-1.0	-51.09	289.79	4.14	-46.95
COC1=CC=C2C=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)CCC2=C1	REAL300007649694	0	41	-1.0	-47.22	349.05	5.87	-41.35
O=C([O-])C1(F)CCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300007649695	0	42	-1.0	-45.91	322.57	6.20	-39.71
CC(C)(CCS(=O)(=O)N1CCC(F)(C(=O)[O-])C1)S(C)(=O)=O	REAL300007649696	0	40	-1.0	-57.59	337.78	1.30	-56.29
O=C([O-])C1(F)CCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300007649697	0	38	-1.0	-46.93	318.47	5.35	-41.58
O=C([O-])C1(F)CCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300007649698	0	36	-1.0	-50.23	315.19	6.32	-43.91
CCC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007649699	0	37	-1.0	-53.01	326.97	6.04	-46.97
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300007649700	0	29	-1.0	-46.03	281.33	4.70	-41.33
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300007649701	0	29	-1.0	-45.92	285.89	4.81	-41.11
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007649702	0	31	-1.0	-46.70	292.82	4.85	-41.85
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300007649703	0	35	-1.0	-48.11	311.32	6.47	-41.64
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300007649704	0	31	-1.0	-48.10	292.80	4.85	-43.25
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649705	0	34	-1.0	-43.12	300.71	5.34	-37.78
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649706	0	33	-1.0	-47.98	294.09	3.49	-44.49
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300007649707	0	31	-1.0	-55.25	283.76	5.87	-49.38
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649708	0	36	-1.0	-47.38	330.81	5.55	-41.83
CCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649709	0	36	-1.0	-47.58	315.94	4.42	-43.16
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1C	REAL300007649710	0	41	-1.0	-46.31	321.98	6.66	-39.65
CC1=CC(C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C)=C1	REAL300007649711	0	38	-1.0	-47.33	311.60	6.32	-41.01
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649712	0	44	-1.0	-44.76	348.69	7.00	-37.76
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300007649713	0	32	-1.0	-44.25	304.19	5.18	-39.07
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300007649714	0	32	-1.0	-47.66	293.14	5.64	-42.02
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300007649715	0	29	-1.0	-44.31	281.85	4.69	-39.62
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649716	0	34	-1.0	-49.49	307.35	4.68	-44.81
CC1=CC=C(C)C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649717	0	35	-1.0	-45.27	293.89	5.34	-39.93
CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C	REAL300007649718	0	35	-1.0	-48.40	303.00	5.39	-43.01
CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C)=C1	REAL300007649719	0	35	-1.0	-45.81	292.91	5.30	-40.51
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007649720	0	35	-1.0	-54.81	320.09	4.93	-49.88
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649721	0	41	-1.0	-47.59	340.80	6.51	-41.08
CC(C)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649722	0	38	-1.0	-47.63	324.83	6.11	-41.52
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649723	0	40	-1.0	-50.72	360.86	2.17	-48.55
CCCC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649724	0	38	-1.0	-47.66	328.99	6.40	-41.26
COC1=CC=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649725	0	33	-1.0	-48.95	289.15	4.03	-44.92
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1Br	REAL300007649726	0	33	-1.0	-49.36	314.48	4.15	-45.21
CC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CC=C1Br	REAL300007649727	0	32	-1.0	-44.53	304.62	5.35	-39.18
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=C2)=C1	REAL300007649728	0	43	-1.0	-47.99	374.73	7.70	-40.29
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007649729	0	33	-1.0	-46.33	310.59	3.99	-42.34
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C)=C1C	REAL300007649730	0	44	-1.0	-48.39	337.84	7.16	-41.23
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300007649731	0	38	-1.0	-49.73	327.40	4.12	-45.61
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649732	0	45	-1.0	-48.95	364.73	6.36	-42.59
CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007649733	0	34	-1.0	-52.63	309.33	5.36	-47.27
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649734	0	33	-1.0	-47.75	309.81	4.66	-43.09
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649735	0	47	-1.0	-46.80	366.40	7.97	-38.83
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300007649736	0	32	-1.0	-44.39	304.08	5.17	-39.22
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300007649737	0	39	-1.0	-48.07	327.29	6.67	-41.40
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649738	0	37	-1.0	-50.59	317.98	3.33	-47.26
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1OC	REAL300007649739	0	37	-1.0	-48.77	324.11	3.37	-45.40
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300007649740	0	36	-1.0	-46.75	310.93	6.08	-40.67
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300007649741	0	37	-1.0	-46.86	319.61	6.57	-40.29
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300007649742	0	34	-1.0	-46.76	301.30	4.02	-42.74
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649743	0	44	-1.0	-47.56	368.05	7.69	-39.87
CCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1OCC	REAL300007649744	0	43	-1.0	-49.66	367.01	5.23	-44.43
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649745	0	34	-1.0	-53.03	318.78	-0.86	-53.89
CC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300007649746	0	37	-1.0	-52.10	325.65	5.91	-46.19
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1C	REAL300007649747	0	37	-1.0	-43.73	316.49	5.85	-37.88
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)=C2N=C1	REAL300007649748	0	37	-1.0	-52.67	321.67	5.83	-46.84
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300007649749	0	35	-1.0	-50.86	314.68	5.32	-45.54
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649750	0	33	-1.0	-46.12	305.92	4.56	-41.56
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649751	0	34	-1.0	-53.08	318.77	-0.86	-53.94
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300007649752	0	41	-1.0	-51.49	373.60	2.03	-49.46
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649753	0	37	-1.0	-50.28	333.54	5.61	-44.67
O=C([O-])C1(F)CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300007649754	0	38	-1.0	-46.09	321.97	5.50	-40.59
CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=CC=CN=C12	REAL300007649755	0	37	-1.0	-48.67	315.13	5.16	-43.51
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C	REAL300007649756	0	37	-1.0	-51.56	324.22	7.24	-44.32
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649757	0	40	-1.0	-51.68	360.19	2.18	-49.50
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300007649758	0	41	-1.0	-58.69	351.31	3.53	-55.16
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649759	0	35	-1.0	-54.95	325.29	1.71	-53.24
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300007649760	0	39	-1.0	-48.27	325.90	7.54	-40.73
CC1CC(C)CN(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C1	REAL300007649761	0	40	-1.0	-45.07	325.62	4.55	-40.52
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300007649762	0	35	-1.0	-50.60	299.87	6.22	-44.38
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300007649763	0	39	-1.0	-48.94	338.78	7.61	-41.33
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649764	0	32	-1.0	-42.94	278.87	4.74	-38.20
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=CC=C12	REAL300007649765	0	43	-1.0	-48.74	353.37	6.08	-42.66
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300007649766	0	30	-1.0	-49.52	287.16	2.61	-46.91
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649767	0	33	-1.0	-47.77	305.25	4.55	-43.22
COC1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649768	0	33	-1.0	-46.76	294.62	3.47	-43.29
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649769	0	44	-1.0	-47.53	355.03	6.97	-40.56
CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1Cl	REAL300007649770	0	32	-1.0	-44.44	300.58	5.28	-39.16
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649771	0	39	-1.0	-48.14	333.86	5.03	-43.11
CCC1=CC=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649772	0	35	-1.0	-46.34	298.32	6.05	-40.29
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300007649773	0	32	-1.0	-51.25	304.99	5.41	-45.84
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300007649774	0	30	-1.0	-49.09	279.42	2.99	-46.10
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300007649775	0	34	-1.0	-47.71	323.98	7.03	-40.68
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300007649776	0	34	-1.0	-53.17	300.27	5.19	-47.98
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300007649777	0	40	-1.0	-47.56	370.30	7.61	-39.95
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649778	0	35	-1.0	-45.76	317.40	4.71	-41.05
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1F	REAL300007649779	0	33	-1.0	-50.29	300.29	3.56	-46.73
CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1F	REAL300007649780	0	32	-1.0	-44.52	291.84	4.88	-39.64
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300007649781	0	40	-1.0	-46.97	370.01	7.56	-39.41
CC1=CC=C(CS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649782	0	35	-1.0	-47.71	310.33	5.56	-42.15
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=C2)C=C1	REAL300007649783	0	44	-1.0	-48.35	382.78	6.33	-42.02
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C(C)C)=C1	REAL300007649784	0	56	-1.0	-47.62	421.27	10.05	-37.57
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007649785	0	45	-1.0	-49.18	368.10	7.14	-42.04
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300007649786	0	32	-1.0	-46.65	321.07	5.87	-40.78
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007649787	0	39	-1.0	-49.74	328.28	5.58	-44.16
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649788	0	34	-1.0	-43.67	299.72	5.31	-38.36
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649789	0	34	-1.0	-51.29	295.45	5.18	-46.11
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649790	0	37	-1.0	-51.42	326.86	6.75	-44.67
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649791	0	41	-1.0	-47.62	345.75	6.87	-40.75
COCCC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649792	0	39	-1.0	-48.27	341.16	4.69	-43.58
COCCN(CCOC)S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649793	0	41	-1.0	-46.66	341.56	1.47	-45.19
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649794	0	32	-1.0	-42.81	289.20	5.19	-37.62
COC1=C(C)C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C	REAL300007649795	0	39	-1.0	-46.66	338.96	5.06	-41.60
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649796	0	45	-1.0	-47.22	376.51	6.52	-40.70
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300007649797	0	43	-1.0	-47.88	358.65	6.39	-41.49
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649798	0	42	-1.0	-47.32	357.55	5.91	-41.41
CCCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649799	0	39	-1.0	-47.35	337.44	5.22	-42.13
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1Cl	REAL300007649800	0	33	-1.0	-49.42	310.09	4.04	-45.38
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300007649801	0	33	-1.0	-48.75	319.85	4.31	-44.44
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C	REAL300007649802	0	36	-1.0	-48.67	314.14	4.22	-44.45
CC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300007649803	0	42	-1.0	-48.12	353.93	5.77	-42.35
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C)=C1	REAL300007649804	0	36	-1.0	-46.55	302.22	3.98	-42.57
COCCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649805	0	40	-1.0	-49.52	349.57	3.69	-45.83
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300007649806	0	32	-1.0	-53.42	293.62	4.94	-48.48
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649807	0	32	-1.0	-43.30	292.79	5.25	-38.05
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1C	REAL300007649808	0	37	-1.0	-58.73	311.91	6.65	-52.08
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649809	0	38	-1.0	-51.59	333.18	2.20	-49.39
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300007649810	0	41	-1.0	-51.59	373.61	2.03	-49.56
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649811	0	37	-1.0	-52.11	341.21	0.35	-51.76
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649812	0	37	-1.0	-50.89	325.10	2.27	-48.62
CC1=NC(C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)S1	REAL300007649813	0	31	-1.0	-47.22	292.38	2.65	-44.57
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300007649814	0	32	-1.0	-48.16	296.74	5.34	-42.82
COC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CC=C1F	REAL300007649815	0	33	-1.0	-47.24	300.29	3.56	-43.68
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300007649816	0	39	-1.0	-49.06	338.78	7.60	-41.46
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300007649817	0	32	-1.0	-49.34	321.78	5.92	-43.42
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)S2)=CS1	REAL300007649818	0	35	-1.0	-47.72	344.54	4.74	-42.98
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300007649819	0	49	-1.0	-47.25	399.17	7.81	-39.44
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649820	0	37	-1.0	-53.02	322.23	5.82	-47.20
CNC(=O)C1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CN1C	REAL300007649821	0	37	-1.0	-50.11	329.50	1.83	-48.28
COC1=CC(C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C)=C1	REAL300007649822	0	39	-1.0	-47.66	319.63	4.94	-42.72
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300007649823	0	40	-1.0	-49.56	348.80	8.30	-41.26
COC1=CC(C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C	REAL300007649824	0	39	-1.0	-46.93	322.14	4.72	-42.21
CC1=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300007649825	0	37	-1.0	-49.96	313.42	5.50	-44.46
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300007649826	0	34	-1.0	-52.94	295.16	4.45	-48.49
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC(F)(C(=O)[O-])C1)=C2	REAL300007649827	0	42	-1.0	-52.02	365.18	8.00	-44.02
CCN1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007649828	0	34	-1.0	-47.80	316.72	4.91	-42.89
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300007649829	0	36	-1.0	-48.80	335.51	4.88	-43.92
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300007649830	0	43	-1.0	-48.75	375.85	7.47	-41.28
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649831	0	37	-1.0	-50.38	328.20	5.44	-44.94
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300007649832	0	39	-1.0	-50.89	351.36	5.76	-45.13
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300007649833	0	32	-1.0	-56.87	292.91	3.38	-53.49
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649834	0	51	-1.0	-46.62	401.96	7.13	-39.49
CC1=CC=CC(CS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649835	0	35	-1.0	-50.85	309.69	5.57	-45.28
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649836	0	37	-1.0	-55.37	338.16	0.90	-54.47
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300007649837	0	32	-1.0	-51.94	294.67	4.97	-46.97
CC1=CC=CC=C1CS(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649838	0	35	-1.0	-50.56	304.11	5.48	-45.08
CCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007649839	0	42	-1.0	-49.32	350.12	6.50	-42.82
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649840	0	39	-1.0	-48.77	331.15	5.62	-43.15
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300007649841	0	34	-1.0	-61.64	312.85	4.36	-57.28
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300007649842	0	36	-1.0	-48.59	325.95	5.31	-43.28
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649843	0	43	-1.0	-49.46	371.42	4.65	-44.81
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649844	0	45	-1.0	-47.33	380.44	6.78	-40.55
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300007649845	0	39	-1.0	-47.07	321.79	6.96	-40.11
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300007649846	0	35	-1.0	-50.34	313.01	5.99	-44.35
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300007649847	0	33	-1.0	-46.84	320.98	5.66	-41.18
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300007649848	0	34	-1.0	-47.40	301.41	3.46	-43.94
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300007649849	0	37	-1.0	-55.45	328.17	5.44	-50.01
O=C([O-])C1(F)CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300007649850	0	35	-1.0	-56.62	304.17	0.55	-56.07
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300007649851	0	34	-1.0	-51.83	312.89	4.36	-47.47
CCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C)=C1	REAL300007649852	0	39	-1.0	-46.33	324.08	4.89	-41.44
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649853	0	37	-1.0	-51.97	341.20	0.35	-51.62
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300007649854	0	33	-1.0	-49.00	298.92	4.29	-44.71
CSC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649855	0	33	-1.0	-47.48	304.79	5.21	-42.27
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300007649856	0	35	-1.0	-52.31	327.34	5.92	-46.39
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649857	0	40	-1.0	-48.52	337.12	6.02	-42.50
CCN1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)N=C1C	REAL300007649858	0	35	-1.0	-54.98	310.94	3.99	-50.99
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300007649859	0	35	-1.0	-49.17	303.11	3.83	-45.34
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300007649860	0	34	-1.0	-48.50	295.01	4.33	-44.17
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300007649861	0	41	-1.0	-49.37	358.85	6.14	-43.23
CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300007649862	0	35	-1.0	-46.37	319.00	5.70	-40.67
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300007649863	0	35	-1.0	-47.69	338.61	4.88	-42.81
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300007649864	0	38	-1.0	-50.94	329.92	5.77	-45.17
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=C12	REAL300007649865	0	37	-1.0	-47.74	331.71	3.91	-43.83
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649866	0	36	-1.0	-51.63	333.17	4.78	-46.85
COCC1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649867	0	36	-1.0	-49.08	319.64	3.90	-45.18
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)=C2O1	REAL300007649868	0	40	-1.0	-49.73	340.12	5.48	-44.25
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300007649869	0	32	-1.0	-51.67	301.78	5.35	-46.32
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300007649870	0	41	-1.0	-62.80	361.19	2.70	-60.10
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007649871	0	36	-1.0	-50.63	334.28	4.70	-45.93
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300007649872	0	37	-1.0	-50.06	327.99	5.06	-45.00
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300007649873	0	32	-1.0	-50.28	315.32	5.79	-44.49
CC1CC2=CC(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)=CC=C2O1	REAL300007649874	0	37	-1.0	-47.12	322.44	4.80	-42.32
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649875	0	41	-1.0	-46.69	313.47	6.92	-39.77
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649876	0	41	-1.0	-54.24	345.63	2.75	-51.49
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300007649877	0	40	-1.0	-49.16	370.03	7.54	-41.62
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300007649878	0	35	-1.0	-47.55	331.83	4.87	-42.68
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300007649879	0	35	-1.0	-47.42	348.93	5.33	-42.09
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=C2)=CO1	REAL300007649880	0	38	-1.0	-49.77	341.74	3.25	-46.52
CN1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007649881	0	32	-1.0	-48.34	294.05	2.66	-45.68
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300007649882	0	32	-1.0	-47.72	294.90	4.56	-43.16
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300007649883	0	32	-1.0	-48.57	291.43	2.83	-45.74
COC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=N1	REAL300007649884	0	32	-1.0	-46.45	292.56	0.87	-45.58
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN=C3CCCN23)C1	REAL300007649885	0	33	-1.0	-51.14	293.38	3.63	-47.51
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300007649886	0	37	-1.0	-47.83	318.81	4.80	-43.03
O=C([O-])C1(F)CCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300007649887	0	36	-1.0	-46.32	308.83	6.00	-40.32
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=N2)C=C1	REAL300007649888	0	39	-1.0	-48.35	347.35	5.98	-42.37
CC1CC2=CC(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300007649889	0	37	-1.0	-48.43	338.89	5.29	-43.14
CC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007649890	0	34	-1.0	-46.24	308.79	5.38	-40.86
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=N1	REAL300007649891	0	40	-1.0	-53.84	353.12	4.95	-48.89
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300007649892	0	31	-1.0	-48.34	296.57	3.66	-44.68
CN(C)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649893	0	37	-1.0	-49.58	316.09	4.60	-44.98
CC1=CC2=CC=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=C2C=C1	REAL300007649894	0	38	-1.0	-48.02	332.68	7.13	-40.89
COC1=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)SC=C1	REAL300007649895	0	30	-1.0	-49.89	285.69	3.22	-46.67
CN(C)C1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649896	0	37	-1.0	-48.95	317.08	4.59	-44.36
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300007649897	0	34	-1.0	-49.35	298.63	4.08	-45.27
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300007649898	0	34	-1.0	-56.40	311.62	4.24	-52.16
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300007649899	0	34	-1.0	-47.54	301.20	4.02	-43.52
O=C([O-])C1(F)CCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300007649900	0	35	-1.0	-49.78	326.51	6.21	-43.57
CN1CCCC2=CC=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=C21	REAL300007649901	0	41	-1.0	-47.25	339.31	4.69	-42.56
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300007649902	0	31	-1.0	-47.60	300.07	3.51	-44.09
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649903	0	37	-1.0	-54.57	318.57	4.70	-49.87
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649904	0	37	-1.0	-46.52	316.89	5.86	-40.66
CC1=CC=C(C)C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300007649905	0	37	-1.0	-57.14	318.70	7.35	-49.79
CC1=CC(C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007649906	0	37	-1.0	-43.24	316.78	5.87	-37.37
COC1=CC=C(CCS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649907	0	39	-1.0	-51.26	339.28	4.99	-46.27
COC1=CN=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649908	0	32	-1.0	-48.01	289.15	1.66	-46.35
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)S1	REAL300007649909	0	38	-1.0	-45.06	338.11	5.83	-39.23
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300007649910	0	36	-1.0	-47.80	313.85	6.28	-41.52
COC1=CC(OC)=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649911	0	37	-1.0	-48.77	324.36	2.77	-46.00
O=C([O-])C1(F)CCN(S(=O)(=O)CCC2CCCCC2)C1	REAL300007649912	0	41	-1.0	-45.87	331.20	5.85	-40.02
CC1=CC=C(CCS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649913	0	38	-1.0	-47.09	331.83	6.35	-40.74
CC1=CC2=C(C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1)OCO2	REAL300007649914	0	35	-1.0	-47.82	298.75	3.33	-44.49
O=C([O-])C1(F)CCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300007649915	0	32	-1.0	-49.88	290.79	4.48	-45.40
COC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CC=C1Cl	REAL300007649916	0	33	-1.0	-46.76	310.10	4.04	-42.72
CN1C=NC2=CC(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)=CC=C21	REAL300007649917	0	35	-1.0	-52.03	313.63	5.55	-46.48
CC1=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007649918	0	37	-1.0	-56.32	310.68	5.69	-50.63
CC1=NC2=CC=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=C2O1	REAL300007649919	0	34	-1.0	-49.48	308.23	1.84	-47.64
CCC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1CC	REAL300007649920	0	41	-1.0	-48.27	341.63	6.75	-41.52
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649921	0	37	-1.0	-43.78	316.69	6.21	-37.57
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649922	0	39	-1.0	-49.91	322.86	5.80	-44.11
CC1=C(C)SC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649923	0	32	-1.0	-45.83	299.00	4.60	-41.23
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649924	0	30	-1.0	-42.60	281.90	2.11	-40.49
CCC1=NC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)S1	REAL300007649925	0	31	-1.0	-45.99	295.13	2.76	-43.23
CN(C)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=N1	REAL300007649926	0	36	-1.0	-49.00	315.29	4.01	-44.99
CC1=CC(C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)S1	REAL300007649927	0	32	-1.0	-46.56	297.75	4.67	-41.89
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300007649928	0	35	-1.0	-49.91	302.49	5.66	-44.25
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300007649929	0	32	-1.0	-48.16	289.12	2.84	-45.32
CC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CC(C)=C1F	REAL300007649930	0	35	-1.0	-44.65	312.41	5.52	-39.13
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300007649931	0	36	-1.0	-49.37	321.38	3.93	-45.44
O=C([O-])C1(F)CCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300007649932	0	42	-1.0	-52.32	365.31	5.74	-46.58
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C1	REAL300007649933	0	33	-1.0	-58.56	297.18	4.10	-54.46
O=C([O-])C1(F)CCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300007649934	0	31	-1.0	-50.84	293.25	3.86	-46.98
CC1=NC(CS(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CS1	REAL300007649935	0	31	-1.0	-53.60	294.83	2.59	-51.01
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300007649936	0	32	-1.0	-49.95	305.01	5.43	-44.52
CC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CC=C1Cl	REAL300007649937	0	32	-1.0	-44.55	300.57	5.27	-39.28
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300007649938	0	35	-1.0	-50.74	313.50	5.15	-45.59
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=C2)=N1	REAL300007649939	0	38	-1.0	-48.28	351.59	5.65	-42.63
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300007649940	0	37	-1.0	-49.21	311.89	5.42	-43.79
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300007649941	0	36	-1.0	-53.74	330.48	2.04	-51.70
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300007649942	0	38	-1.0	-49.27	322.02	4.56	-44.71
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300007649943	0	32	-1.0	-46.36	308.73	5.41	-40.95
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C1	REAL300007649944	0	42	-1.0	-46.44	355.15	5.83	-40.61
COC(CS(=O)(=O)N1CCC(F)(C(=O)[O-])C1)C1CCCC1	REAL300007649945	0	42	-1.0	-49.95	337.35	4.56	-45.39
COC(CS(=O)(=O)N1CCC(F)(C(=O)[O-])C1)C1CCCCC1	REAL300007649946	0	45	-1.0	-49.89	359.95	5.40	-44.49
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300007649947	0	43	-1.0	-51.27	382.05	7.54	-43.73
CCOC(CS(=O)(=O)N1CCC(F)(C(=O)[O-])C1)C1CC1	REAL300007649948	0	39	-1.0	-50.76	328.62	4.51	-46.25
CCCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C(C)C	REAL300007649949	0	48	-1.0	-47.87	396.03	7.23	-40.64
CCC1=NC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=CN1CC1CC1	REAL300007649950	0	42	-1.0	-54.43	359.53	5.98	-48.45
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300007649951	0	32	-1.0	-46.34	304.86	3.68	-42.66
CC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300007649952	0	37	-1.0	-50.92	321.38	6.22	-44.70
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649953	0	36	-1.0	-45.44	311.03	4.03	-41.41
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300007649954	0	42	-1.0	-46.28	364.07	6.37	-39.91
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649955	0	32	-1.0	-45.15	305.52	2.82	-42.33
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300007649956	0	40	-1.0	-49.92	365.16	8.28	-41.64
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300007649957	0	39	-1.0	-50.56	325.05	7.36	-43.20
CCC1=CC(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=C(C)C=C1OC	REAL300007649958	0	42	-1.0	-46.91	343.78	5.46	-41.45
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300007649959	0	35	-1.0	-45.85	335.81	6.06	-39.79
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)=N1	REAL300007649960	0	31	-1.0	-52.17	290.45	3.10	-49.07
CC1=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300007649961	0	38	-1.0	-51.69	318.45	7.39	-44.30
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=N1	REAL300007649962	0	38	-1.0	-46.30	334.55	2.73	-43.57
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649963	0	33	-1.0	-46.43	292.79	4.32	-42.11
CCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C(C)C	REAL300007649964	0	45	-1.0	-48.24	374.53	6.43	-41.81
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1F	REAL300007649965	0	41	-1.0	-45.95	342.80	6.44	-39.51
O=C([O-])C1(F)CCN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300007649966	0	48	-1.0	-50.29	390.14	8.72	-41.57
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649967	0	39	-1.0	-46.23	323.35	4.19	-42.04
CN1C=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300007649968	0	41	-1.0	-46.02	337.43	4.56	-41.46
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300007649969	0	39	-1.0	-46.71	332.78	4.55	-42.16
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649970	0	32	-1.0	-42.46	293.04	2.94	-39.52
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649971	0	36	-1.0	-51.94	322.85	4.33	-47.61
C=CCCC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1	REAL300007649972	0	39	-1.0	-47.70	341.80	6.96	-40.74
CCC1=NN(C)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649973	0	35	-1.0	-50.28	303.43	3.04	-47.24
CCCCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C(C)C	REAL300007649974	0	51	-1.0	-45.64	418.34	8.00	-37.64
O=C([O-])C1(F)CCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300007649975	0	33	-1.0	-47.73	313.24	5.89	-41.84
CCCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C(C)(C)C	REAL300007649976	0	51	-1.0	-45.67	409.40	7.89	-37.78
CCCOC1=CC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1CC	REAL300007649977	0	45	-1.0	-47.28	379.12	6.70	-40.58
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649978	0	35	-1.0	-43.33	305.21	6.05	-37.28
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649979	0	35	-1.0	-46.28	324.79	6.17	-40.11
O=C([O-])C1(F)CCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300007649980	0	33	-1.0	-46.19	311.27	5.78	-40.41
CCCC1=CC=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649981	0	38	-1.0	-46.52	319.94	6.79	-39.73
COC1=NC=CC=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649982	0	32	-1.0	-48.39	286.98	1.45	-46.94
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649983	0	45	-1.0	-47.20	378.91	6.98	-40.22
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300007649984	0	34	-1.0	-55.93	295.08	4.40	-51.53
CC1=CSC(C)=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649985	0	32	-1.0	-44.84	284.54	4.75	-40.09
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300007649986	0	36	-1.0	-50.16	314.48	3.87	-46.29
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300007649987	0	36	-1.0	-45.38	312.58	4.03	-41.35
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300007649988	0	39	-1.0	-45.61	329.75	4.89	-40.72
CC1(C)COC2=C(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)C=NN2C1	REAL300007649989	0	40	-1.0	-49.72	338.83	2.25	-47.47
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300007649990	0	35	-1.0	-47.59	331.96	5.09	-42.50
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300007649991	0	36	-1.0	-49.51	308.99	4.18	-45.33
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)C=C1C	REAL300007649992	0	45	-1.0	-44.53	357.74	5.76	-38.77
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649993	0	39	-1.0	-47.69	332.41	5.57	-42.12
CC1CC2=CC=CC(S(=O)(=O)N3CCC(F)(C(=O)[O-])C3)=C2O1	REAL300007649994	0	37	-1.0	-49.65	319.64	4.84	-44.81
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC(F)(C(=O)[O-])C2)S1	REAL300007649995	0	37	-1.0	-46.15	333.78	3.84	-42.31
O=C([O-])C1(F)CCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300007649996	0	35	-1.0	-50.71	318.30	4.82	-45.89
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC(F)(C(=O)[O-])C1	REAL300007649997	0	34	-1.0	-57.03	306.07	3.79	-53.24
O=C([O-])C1(F)CCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300007649998	0	38	-1.0	-46.20	311.14	4.16	-42.04
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C32)C1	REAL300007649999	0	33	-1.0	-47.77	315.71	4.59	-43.18
O=C([O-])C1(F)CCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300007650000	0	30	-1.0	-45.55	280.24	2.99	-42.56
COC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650714	0	35	-1.0	-44.79	308.30	3.48	-41.31
CC1=C(Br)C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007650715	0	36	-1.0	-51.08	331.65	5.28	-45.80
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650716	0	42	-1.0	-61.18	358.78	3.59	-57.59
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007650717	0	42	-1.0	-48.88	361.06	0.51	-48.37
CC(C)C(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007650718	0	49	-1.0	-52.70	353.86	5.13	-47.57
CC1=NC2=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300007650719	0	39	-1.0	-53.07	329.80	4.79	-48.28
CC(C)C(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007650720	0	39	-1.0	-67.55	332.32	5.34	-62.21
CC(C)C(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007650721	0	42	-1.0	-46.50	346.03	2.06	-44.44
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650722	0	45	-1.0	-45.81	390.35	4.65	-41.16
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650723	0	45	-1.0	-59.79	388.58	4.86	-54.93
COCCOCCOCCS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650724	0	45	-1.0	-56.59	379.28	0.85	-55.74
CC(C)C(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007650725	0	47	-1.0	-57.25	368.22	4.80	-52.45
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007650726	0	46	-1.0	-43.46	392.77	4.98	-38.48
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650727	0	38	-1.0	-41.28	334.10	3.76	-37.52
CC(C)C(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007650728	0	39	-1.0	-42.07	327.39	1.29	-40.78
COC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650729	0	35	-1.0	-51.66	317.68	3.39	-48.27
CC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007650730	0	35	-1.0	-43.95	312.75	3.67	-40.28
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300007650731	0	37	-1.0	-50.47	328.34	4.28	-46.19
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650732	0	37	-1.0	-51.60	323.22	5.17	-46.43
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650733	0	37	-1.0	-56.03	322.48	5.40	-50.63
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300007650734	0	37	-1.0	-41.00	323.24	5.02	-35.98
CC(C)C(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007650735	0	43	-1.0	-41.87	345.89	0.53	-41.34
CCOC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650736	0	38	-1.0	-53.81	318.24	3.70	-50.11
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300007650737	0	38	-1.0	-44.33	328.63	1.12	-43.21
CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007650738	0	38	-1.0	-55.62	335.30	4.06	-51.56
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1C	REAL300007650739	0	58	-1.0	-54.50	452.56	7.97	-46.53
CC(C)C(NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300007650740	0	45	-1.0	-54.30	377.91	1.40	-52.90
CC(C)C(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007650741	0	39	-1.0	-43.30	345.69	5.73	-37.57
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007650742	0	36	-1.0	-48.98	309.28	3.91	-45.07
CC(C)C(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007650743	0	34	-1.0	-42.91	317.26	4.91	-38.00
CC(C)C(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007650744	0	34	-1.0	-56.06	307.94	4.72	-51.34
CC(C)C(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007650745	0	38	-1.0	-65.36	331.52	1.33	-64.03
CC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650746	0	34	-1.0	-41.02	312.07	4.82	-36.20
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650747	0	34	-1.0	-52.16	302.60	4.86	-47.30
COCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650748	0	38	-1.0	-53.71	316.03	3.51	-50.20
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300007650749	0	35	-1.0	-50.03	316.75	3.44	-46.59
COC1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300007650750	0	39	-1.0	-45.56	342.11	3.20	-42.36
CC(C)C(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007650751	0	34	-1.0	-47.58	312.83	2.57	-45.01
CC(C)C(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007650752	0	34	-1.0	-45.85	303.80	2.36	-43.49
CC(C)C(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007650753	0	42	-1.0	-53.79	350.33	4.80	-48.99
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007650754	0	34	-1.0	-47.28	313.84	2.67	-44.61
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650755	0	42	-1.0	-68.14	354.51	2.43	-65.71
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1I	REAL300007650756	0	34	-1.0	-53.69	312.19	5.10	-48.59
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650757	0	43	-1.0	-57.80	371.23	2.65	-55.15
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650758	0	48	-1.0	-50.34	405.62	3.22	-47.12
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650759	0	35	-1.0	-46.08	309.63	4.69	-41.39
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650760	0	48	-1.0	-64.73	410.46	1.95	-62.78
CC(C)C(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007650761	0	39	-1.0	-56.44	351.76	0.32	-56.12
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S1	REAL300007650762	0	45	-1.0	-49.43	404.18	1.14	-48.29
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(OC)=C1	REAL300007650763	0	46	-1.0	-62.27	391.15	0.94	-61.33
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300007650764	0	45	-1.0	-57.74	394.97	2.01	-55.73
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650765	0	45	-1.0	-54.98	386.01	1.26	-53.72
CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007650766	0	42	-1.0	-66.35	348.62	3.49	-62.86
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300007650767	0	45	-1.0	-54.23	392.81	1.97	-52.26
CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007650768	0	46	-1.0	-49.04	362.87	4.29	-44.75
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300007650769	0	42	-1.0	-54.46	371.31	1.19	-53.27
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007650770	0	46	-1.0	-57.87	386.57	3.96	-53.91
CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007650771	0	43	-1.0	-55.42	359.16	3.49	-51.93
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650772	0	40	-1.0	-52.71	350.27	1.95	-50.76
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650773	0	41	-1.0	-48.72	357.29	0.85	-47.87
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Br	REAL300007650774	0	38	-1.0	-50.57	338.60	4.37	-46.20
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300007650775	0	45	-1.0	-46.79	373.90	6.51	-40.28
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007650776	0	35	-1.0	-43.75	323.08	4.13	-39.62
CC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007650777	0	37	-1.0	-53.01	347.99	1.56	-51.45
COC1=CC=C(Br)C(CS(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650778	0	38	-1.0	-57.06	340.73	4.11	-52.95
CC(C)C(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007650779	0	45	-1.0	-53.41	385.83	5.46	-47.95
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650780	0	38	-1.0	-45.11	336.05	4.53	-40.58
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007650781	0	43	-1.0	-54.66	363.53	5.04	-49.62
CCS(=O)(=O)NCCS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650782	0	38	-1.0	-60.13	330.59	-1.77	-61.90
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300007650783	0	37	-1.0	-53.62	325.88	4.84	-48.78
CC(C)C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007650784	0	34	-1.0	-43.62	324.51	5.45	-38.17
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300007650785	0	37	-1.0	-57.42	336.04	6.38	-51.04
CC(C)C(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007650786	0	34	-1.0	-52.90	325.61	5.41	-47.49
CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007650787	0	37	-1.0	-47.34	330.95	6.46	-40.88
CC(C)C(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007650788	0	37	-1.0	-55.91	328.55	5.24	-50.67
CC(C)C(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007650789	0	42	-1.0	-43.04	348.00	4.81	-38.23
CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007650790	0	45	-1.0	-56.92	386.01	6.97	-49.95
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007650791	0	44	-1.0	-57.44	377.46	5.05	-52.39
CC(C)C(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007650792	0	42	-1.0	-44.67	363.39	0.47	-44.20
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300007650793	0	40	-1.0	-56.66	339.57	6.47	-50.19
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1N(C)C	REAL300007650794	0	42	-1.0	-52.79	341.47	4.12	-48.67
CC(C)C(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007650795	0	37	-1.0	-57.05	332.24	5.46	-51.59
CC(C)C(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007650796	0	36	-1.0	-44.65	289.71	0.75	-43.90
CC(C)C(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007650797	0	44	-1.0	-54.23	357.45	3.99	-50.24
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300007650798	0	38	-1.0	-56.26	329.72	4.13	-52.13
CC(C)C(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007650799	0	40	-1.0	-52.02	356.66	1.79	-50.23
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300007650800	0	35	-1.0	-50.90	322.71	4.92	-45.98
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650801	0	43	-1.0	-51.94	340.31	3.89	-48.05
CC(C)C(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007650802	0	39	-1.0	-51.63	342.12	2.06	-49.57
CCC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C12	REAL300007650803	0	38	-1.0	-46.80	334.88	1.32	-45.48
CC(C)C(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007650804	0	42	-1.0	-49.51	369.38	3.37	-46.14
CC(C)C(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007650805	0	36	-1.0	-45.74	313.24	2.64	-43.10
CC(C)C(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007650806	0	37	-1.0	-42.12	333.08	6.34	-35.78
CCC1=CC(CC)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(CC)=C1	REAL300007650807	0	49	-1.0	-52.05	366.04	8.23	-43.82
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650808	1	46	-1.0	-57.41	383.13	0.59	-56.82
CC(C)C(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007650809	0	38	-1.0	-60.61	314.22	3.90	-56.71
CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007650810	0	37	-1.0	-49.68	335.52	1.55	-48.13
CC(C)C(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007650811	0	40	-1.0	-65.76	334.29	7.21	-58.55
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1F	REAL300007650812	0	38	-1.0	-51.36	317.16	3.75	-47.61
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007650813	0	40	-1.0	-45.64	335.14	5.03	-40.61
CC(C)C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007650815	0	39	-1.0	-45.56	338.79	4.84	-40.72
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650816	0	38	-1.0	-54.19	344.67	3.77	-50.42
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C(C)C)C(F)=C1	REAL300007650817	0	37	-1.0	-56.72	321.27	4.95	-51.77
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007650819	0	31	-1.0	-40.22	301.44	3.70	-36.52
CC(C)C(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007650820	0	44	-1.0	-57.44	356.15	6.73	-50.71
CC(C)C(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007650821	0	42	-1.0	-57.12	354.59	4.25	-52.87
CC(C)C(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007650822	0	40	-1.0	-66.65	328.53	0.62	-66.03
CC(C)C(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007650823	0	34	-1.0	-46.74	309.82	4.06	-42.68
CC1=C(CCS(=O)(=O)NC(C(=O)[O-])C(C)C)SC=N1	REAL300007650824	0	36	-1.0	-43.54	316.22	2.70	-40.84
COC1=CC=C2C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)CCC2=C1	REAL300007650825	0	43	-1.0	-53.80	356.08	5.27	-48.53
CC(C)C(NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007650826	0	44	-1.0	-40.76	320.80	5.43	-35.33
CC(C)C(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007650827	0	42	-1.0	-56.11	345.45	0.69	-55.42
CC(C)C(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007650828	0	40	-1.0	-54.40	320.80	4.61	-49.79
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C12	REAL300007650829	0	46	-1.0	-55.58	390.27	6.72	-48.86
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C12	REAL300007650830	0	50	-1.0	-50.78	412.44	4.28	-46.50
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007650831	0	39	-1.0	-60.13	335.23	5.37	-54.76
CC(C)C(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007650832	0	31	-1.0	-50.34	288.18	4.10	-46.24
CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007650833	0	33	-1.0	-49.98	301.07	4.20	-45.78
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007650834	0	37	-1.0	-47.45	314.83	5.80	-41.65
CC(C)C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007650835	0	33	-1.0	-51.39	295.78	4.12	-47.27
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650836	0	36	-1.0	-60.59	312.99	5.02	-55.57
CC(C)C(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007650837	0	33	-1.0	-59.75	286.07	4.97	-54.78
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650838	0	38	-1.0	-42.91	336.93	4.89	-38.02
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650839	0	38	-1.0	-53.05	318.88	3.67	-49.38
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1C	REAL300007650840	0	43	-1.0	-42.62	329.45	6.18	-36.44
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650841	0	46	-1.0	-56.29	358.95	6.76	-49.53
CC(C)C(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007650842	0	34	-1.0	-50.73	305.63	4.47	-46.26
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007650843	0	34	-1.0	-55.22	292.62	5.01	-50.21
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007650844	0	37	-1.0	-60.00	322.35	4.21	-55.79
CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007650845	0	43	-1.0	-54.19	349.07	5.87	-48.32
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650846	0	48	-1.0	-55.54	409.63	3.25	-52.29
CC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007650847	0	42	-1.0	-55.16	362.46	1.47	-53.69
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Br	REAL300007650848	0	35	-1.0	-50.99	316.74	3.44	-47.55
CC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007650849	0	37	-1.0	-36.89	347.15	5.56	-31.33
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1Br	REAL300007650850	0	34	-1.0	-41.97	313.15	4.80	-37.17
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)=C1	REAL300007650851	0	45	-1.0	-45.66	383.75	7.13	-38.53
CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007650852	0	35	-1.0	-50.62	316.93	3.31	-47.31
CC1=C(C)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1C	REAL300007650853	0	46	-1.0	-46.33	342.90	6.62	-39.71
CC(C)C(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007650854	0	40	-1.0	-53.49	330.32	3.38	-50.11
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650855	0	47	-1.0	-47.76	378.03	5.76	-42.00
CC(C)C(NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300007650856	0	38	-1.0	-46.59	344.79	5.93	-40.66
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007650857	0	36	-1.0	-59.75	311.72	4.64	-55.11
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650858	0	35	-1.0	-44.38	323.19	4.03	-40.35
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650859	0	49	-1.0	-52.54	373.17	7.38	-45.16
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007650860	0	34	-1.0	-50.73	311.56	4.55	-46.18
CC(C)C(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007650861	0	41	-1.0	-53.74	333.68	6.01	-47.73
COC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650862	0	39	-1.0	-48.12	326.07	2.62	-45.50
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1OC	REAL300007650863	0	39	-1.0	-53.55	326.23	2.65	-50.90
CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007650864	0	39	-1.0	-54.03	326.63	5.97	-48.06
CC(C)CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650865	0	46	-1.0	-53.94	371.01	6.95	-46.99
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1OCC	REAL300007650866	0	45	-1.0	-53.15	369.94	4.49	-48.66
CC(C)C(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007650867	0	36	-1.0	-56.87	321.14	-1.57	-58.44
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1C	REAL300007650868	0	39	-1.0	-41.42	333.76	5.39	-36.03
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1C	REAL300007650869	0	39	-1.0	-58.31	328.15	5.54	-52.77
CC1=CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C2N=C1	REAL300007650870	0	39	-1.0	-50.06	313.26	5.21	-44.85
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300007650871	0	37	-1.0	-56.54	316.58	4.30	-52.24
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650872	0	35	-1.0	-53.39	313.08	3.82	-49.57
CC(C)C(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007650873	0	36	-1.0	-49.97	323.11	-1.54	-51.51
CC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007650874	0	43	-1.0	-48.18	374.89	1.30	-46.88
CC(C)C(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007650875	0	39	-1.0	-55.91	333.12	4.97	-50.94
CC(C)C(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007650876	0	40	-1.0	-43.69	329.53	4.91	-38.78
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300007650877	0	39	-1.0	-47.65	324.86	4.80	-42.85
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007650878	0	39	-1.0	-58.04	324.17	6.21	-51.83
CC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007650879	0	42	-1.0	-49.76	364.44	1.51	-48.25
CC(C)C(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007650880	0	43	-1.0	-66.18	353.60	2.83	-63.35
CC(C)C(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007650881	0	37	-1.0	-54.11	329.57	1.03	-53.08
CC(C)C(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007650882	0	41	-1.0	-57.32	337.23	7.33	-49.99
CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007650883	0	37	-1.0	-57.22	309.07	5.88	-51.34
CC(C)C(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007650884	0	41	-1.0	-54.09	345.10	6.93	-47.16
CC(C)C(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007650885	0	45	-1.0	-55.21	363.15	5.71	-49.50
CC(C)C(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007650886	0	32	-1.0	-55.60	296.18	1.92	-53.68
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650887	0	35	-1.0	-44.41	318.63	3.93	-40.48
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650888	0	46	-1.0	-53.34	357.33	6.26	-47.08
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300007650889	0	34	-1.0	-54.39	302.97	4.55	-49.84
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650890	0	41	-1.0	-52.34	340.20	4.37	-47.97
CC(C)C(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007650891	0	34	-1.0	-42.98	312.70	4.80	-38.18
CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007650892	0	36	-1.0	-51.19	324.12	6.00	-45.19
CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007650893	0	36	-1.0	-50.22	296.92	4.61	-45.61
CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007650894	0	42	-1.0	-48.74	379.14	7.00	-41.74
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650895	0	37	-1.0	-51.45	325.22	3.92	-47.53
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1F	REAL300007650896	0	35	-1.0	-51.12	302.55	2.84	-48.28
CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007650897	0	42	-1.0	-52.32	376.33	6.89	-45.43
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)C=C1	REAL300007650898	0	46	-1.0	-53.29	391.03	5.68	-47.61
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300007650899	0	58	-1.0	-42.28	423.64	9.39	-32.89
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007650900	0	47	-1.0	-45.91	371.81	6.57	-39.34
CC(C)C(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007650901	0	34	-1.0	-40.24	323.12	5.17	-35.07
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007650902	0	41	-1.0	-48.74	338.91	5.19	-43.55
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C1(C)NC(=O)NC1=O	REAL300007650903	0	47	-1.0	-59.55	392.49	1.19	-58.36
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650904	0	36	-1.0	-50.24	311.59	5.06	-45.18
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650905	0	36	-1.0	-50.53	305.13	4.91	-45.62
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650906	0	39	-1.0	-59.23	327.57	5.83	-53.40
CC(C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650907	0	43	-1.0	-53.56	348.03	6.16	-47.40
COCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650908	0	41	-1.0	-54.22	344.13	3.95	-50.27
COCCN(CCOC)S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650909	0	43	-1.0	-53.34	344.18	0.82	-52.52
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650910	0	34	-1.0	-55.91	301.50	4.87	-51.04
COC1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007650911	0	41	-1.0	-52.42	344.53	4.41	-48.01
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650912	0	47	-1.0	-52.05	378.79	5.80	-46.25
CC(C)C(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007650913	0	45	-1.0	-52.64	362.17	5.66	-46.98
CC(C)COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650914	0	44	-1.0	-52.01	363.89	5.24	-46.77
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650915	0	41	-1.0	-53.47	340.35	4.47	-49.00
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Cl	REAL300007650916	0	35	-1.0	-51.05	312.35	3.33	-47.72
CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007650917	0	35	-1.0	-52.69	328.09	3.65	-49.04
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007650918	0	38	-1.0	-44.77	318.37	3.55	-41.22
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300007650919	0	44	-1.0	-45.43	358.15	5.10	-40.33
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1	REAL300007650920	0	38	-1.0	-54.31	312.87	3.68	-50.63
COCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650921	0	42	-1.0	-56.40	357.79	3.04	-53.36
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650922	0	34	-1.0	-52.19	306.10	4.96	-47.23
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1C	REAL300007650923	0	39	-1.0	-50.45	322.20	6.47	-43.98
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650924	0	40	-1.0	-65.05	343.57	1.85	-63.20
CC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007650925	0	43	-1.0	-55.07	375.87	1.32	-53.75
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650926	0	39	-1.0	-55.53	347.53	-0.31	-55.84
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650927	0	39	-1.0	-58.56	324.66	1.32	-57.24
CC(C)C(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007650928	0	34	-1.0	-53.13	304.61	4.87	-48.26
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1F	REAL300007650929	0	35	-1.0	-49.90	306.62	2.89	-47.01
CC(C)C(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007650930	0	41	-1.0	-46.77	343.07	6.92	-39.85
CC(C)C(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007650931	0	34	-1.0	-39.65	329.51	5.29	-34.36
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)S2)=CS1	REAL300007650932	0	37	-1.0	-45.21	345.33	4.03	-41.18
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007650933	0	51	-1.0	-52.85	407.42	7.16	-45.69
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650934	0	39	-1.0	-49.65	313.29	5.16	-44.49
CNC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CN1C	REAL300007650935	0	39	-1.0	-56.17	337.61	1.20	-54.97
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1	REAL300007650936	0	41	-1.0	-42.77	320.82	4.21	-38.56
CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007650937	0	42	-1.0	-55.26	357.06	7.65	-47.61
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C	REAL300007650938	0	41	-1.0	-55.11	332.28	4.37	-50.74
CC1=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300007650939	0	39	-1.0	-55.55	318.98	4.75	-50.80
CC(C)C(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007650940	0	36	-1.0	-56.54	304.38	4.09	-52.45
CC(C)C(NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007650941	0	44	-1.0	-59.04	370.73	7.36	-51.68
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300007650942	0	36	-1.0	-53.99	318.77	4.37	-49.62
CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007650943	0	38	-1.0	-53.15	341.85	4.21	-48.94
CC(C)C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007650944	0	45	-1.0	-53.32	382.18	6.80	-46.52
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650945	0	39	-1.0	-58.87	334.02	4.79	-54.08
CC(C)C(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007650946	0	41	-1.0	-44.60	351.85	5.02	-39.58
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650947	0	53	-1.0	-53.57	401.05	6.21	-47.36
CC(C)C(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007650948	0	39	-1.0	-57.50	347.99	0.14	-57.36
CC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007650949	0	46	-1.0	-53.98	395.58	2.75	-51.23
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007650950	0	44	-1.0	-45.72	357.29	6.03	-39.69
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650951	0	41	-1.0	-45.97	337.05	4.93	-41.04
CC(C)C(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007650952	0	36	-1.0	-49.64	317.14	3.69	-45.95
CC(C)C(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007650953	0	38	-1.0	-49.94	329.44	4.64	-45.30
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650954	0	45	-1.0	-55.24	379.68	4.00	-51.24
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650955	0	47	-1.0	-52.89	382.68	6.06	-46.83
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007650956	0	41	-1.0	-55.27	323.80	6.20	-49.07
CC(C)C(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007650957	0	37	-1.0	-55.96	315.11	5.28	-50.68
CC(C)C(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007650958	0	35	-1.0	-52.48	329.23	4.99	-47.49
CC(C)C(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007650959	0	39	-1.0	-62.25	330.37	4.73	-57.52
CC(C)C(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300007650960	0	37	-1.0	-62.76	309.93	-0.17	-62.93
CC(C)C(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007650961	0	36	-1.0	-44.89	314.15	3.63	-41.26
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C(C)=C1	REAL300007650962	0	41	-1.0	-54.04	334.73	4.62	-49.42
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650963	0	39	-1.0	-52.52	350.20	-0.22	-52.74
CC(C)C(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007650964	0	35	-1.0	-55.64	308.96	3.67	-51.97
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1	REAL300007650965	0	35	-1.0	-52.18	311.14	4.54	-47.64
CC(C)C(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007650966	0	37	-1.0	-40.95	329.67	5.22	-35.73
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650967	0	42	-1.0	-56.21	335.47	5.15	-51.06
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007650968	0	37	-1.0	-46.53	313.18	3.25	-43.28
CC(C)C(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007650969	0	36	-1.0	-45.26	306.86	4.07	-41.19
CC(C)C(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007650970	0	43	-1.0	-56.59	362.48	5.47	-51.12
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300007650971	0	37	-1.0	-42.06	320.15	4.98	-37.08
CC(C)C(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007650972	0	37	-1.0	-55.99	338.44	4.45	-51.54
CC(C)C(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007650973	0	40	-1.0	-47.50	338.47	5.21	-42.29
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C12	REAL300007650974	0	39	-1.0	-51.26	339.18	3.25	-48.01
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650975	0	38	-1.0	-57.87	335.38	4.08	-53.79
COCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650976	0	38	-1.0	-55.73	327.93	3.25	-52.48
CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007650977	0	42	-1.0	-47.36	330.66	4.73	-42.63
CC(C)C(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007650978	0	34	-1.0	-56.41	304.74	4.60	-51.81
CC(C)C(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007650979	0	43	-1.0	-69.15	367.54	2.02	-67.13
CC(C)C(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007650980	0	38	-1.0	-56.12	337.16	3.95	-52.17
COC1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C1Br	REAL300007650981	0	39	-1.0	-45.58	346.49	3.31	-42.27
CC(C)C(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007650982	0	39	-1.0	-57.13	331.57	4.15	-52.98
CC(C)C(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007650983	0	34	-1.0	-44.68	317.51	5.09	-39.59
CC(C)C(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007650984	0	39	-1.0	-53.05	323.90	4.09	-48.96
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C(=O)[O-])C(C)C	REAL300007650985	0	43	-1.0	-42.22	325.97	6.69	-35.53
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C(C)C)=C1	REAL300007650986	0	43	-1.0	-42.49	353.80	2.42	-40.07
CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007650987	0	42	-1.0	-45.10	379.04	6.99	-38.11
CC(C)C(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007650988	0	37	-1.0	-53.04	337.55	4.20	-48.84
CC(C)C(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007650989	0	37	-1.0	-54.71	346.12	4.98	-49.73
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2)=CO1	REAL300007650990	0	40	-1.0	-48.75	350.04	2.68	-46.07
CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007650991	0	34	-1.0	-51.83	307.99	2.48	-49.35
CC(C)C(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007650992	0	34	-1.0	-51.79	298.88	2.19	-49.60
CC(C)C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007650993	0	39	-1.0	-53.44	320.59	4.10	-49.34
CC1=CC=C(N2C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N2)C=C1	REAL300007650994	0	41	-1.0	-52.69	355.58	5.35	-47.34
CC(C)C(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007650995	0	39	-1.0	-43.36	339.66	4.58	-38.78
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300007650996	0	36	-1.0	-41.13	317.79	4.80	-36.33
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=N1	REAL300007650997	0	42	-1.0	-54.29	356.61	4.27	-50.02
CC(C)C(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007650998	0	33	-1.0	-53.68	304.88	3.01	-50.67
CC(C)C(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007650999	0	39	-1.0	-56.00	318.65	3.84	-52.16
CC1=CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C)C=C2C=C1	REAL300007651000	0	40	-1.0	-47.61	336.17	6.45	-41.16
COC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651853	0	36	-1.0	-45.71	298.61	3.66	-42.05
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651854	0	43	-1.0	-62.08	353.10	4.32	-57.76
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C	REAL300007651855	0	43	-1.0	-58.36	352.75	1.30	-57.06
CC1=NC2=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=CC=C2C=C1	REAL300007651856	0	40	-1.0	-50.99	327.84	5.14	-45.85
CC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300007651857	0	40	-1.0	-55.56	326.41	5.79	-49.77
CC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)(C(=O)[O-])C1CC1	REAL300007651858	0	43	-1.0	-46.57	338.53	2.32	-44.25
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651859	0	46	-1.0	-62.40	386.35	5.33	-57.07
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651860	0	46	-1.0	-62.29	381.33	5.55	-56.74
CCCN1C=NC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651861	0	38	-1.0	-62.87	308.17	6.05	-56.82
CC(COC1CCCC1)CS(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651862	0	48	-1.0	-49.46	362.49	5.29	-44.17
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651863	0	39	-1.0	-54.64	329.33	4.53	-50.11
CC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)(C(=O)[O-])C1CC1	REAL300007651864	0	40	-1.0	-46.11	319.49	1.54	-44.57
COC1=CC(Br)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651865	0	36	-1.0	-54.89	311.85	4.14	-50.75
CC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)(C(=O)[O-])C1CC1	REAL300007651866	0	36	-1.0	-57.37	308.40	4.33	-53.04
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300007651867	0	38	-1.0	-43.76	315.71	4.52	-39.24
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651868	0	38	-1.0	-39.38	318.58	5.70	-33.68
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651869	0	38	-1.0	-59.89	318.28	6.03	-53.86
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1C(F)(F)F	REAL300007651870	0	38	-1.0	-43.45	313.38	5.22	-38.23
CC(C)C1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651871	0	41	-1.0	-59.47	315.87	6.30	-53.17
CCOC1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651872	0	39	-1.0	-55.93	312.46	4.45	-51.48
COCCN1C=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=N1	REAL300007651873	0	39	-1.0	-46.60	321.86	1.41	-45.19
CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300007651874	0	39	-1.0	-45.62	323.75	4.30	-41.32
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1C	REAL300007651875	0	59	-1.0	-57.60	451.21	8.60	-49.00
CC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)(C(=O)[O-])C1CC1	REAL300007651876	0	40	-1.0	-52.70	335.35	6.09	-46.61
CC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)(C(=O)[O-])C1CC1	REAL300007651877	0	37	-1.0	-54.41	302.25	4.60	-49.81
CC(NS(=O)(=O)CC1=CC=CC(Br)=C1)(C(=O)[O-])C1CC1	REAL300007651878	0	35	-1.0	-49.69	306.93	5.25	-44.44
CC(NS(=O)(=O)CC1=CC=CC=C1Br)(C(=O)[O-])C1CC1	REAL300007651879	0	35	-1.0	-43.75	301.60	5.18	-38.57
CC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)(C(=O)[O-])C1CC1	REAL300007651880	0	39	-1.0	-62.22	325.38	1.67	-60.55
CC1=CC(Br)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651881	0	35	-1.0	-52.90	303.82	5.52	-47.38
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651882	0	35	-1.0	-53.98	296.64	5.57	-48.41
COCC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651883	0	39	-1.0	-42.00	307.94	3.81	-38.19
COC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1Br	REAL300007651884	0	36	-1.0	-43.48	310.10	3.75	-39.73
COC1=CC(OC)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Cl	REAL300007651885	0	40	-1.0	-45.12	337.79	3.62	-41.50
CC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)(C(=O)[O-])C1CC1	REAL300007651886	0	35	-1.0	-49.07	306.05	2.86	-46.21
CC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)(C(=O)[O-])C1CC1	REAL300007651887	0	35	-1.0	-47.50	301.17	2.65	-44.85
CC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)(C(=O)[O-])C1CC1	REAL300007651888	0	43	-1.0	-56.19	339.92	5.55	-50.64
CC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)(C(=O)[O-])C1CC1	REAL300007651889	0	35	-1.0	-43.96	303.28	3.07	-40.89
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651890	0	44	-1.0	-50.27	363.06	2.97	-47.30
CSC1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651891	0	36	-1.0	-43.43	300.77	4.94	-38.49
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)(C(=O)[O-])C1CC1	REAL300007651892	0	40	-1.0	-49.83	337.83	0.53	-49.30
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651893	0	43	-1.0	-69.29	345.87	4.39	-64.90
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1F	REAL300007651894	0	43	-1.0	-48.77	359.30	1.42	-47.35
CCC1=CC=C(CS(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651895	0	41	-1.0	-49.91	328.62	6.07	-43.84
CC(NS(=O)(=O)CCC1=CC=CS1)(C(=O)[O-])C1CC1	REAL300007651896	0	35	-1.0	-48.25	297.36	4.51	-43.74
CC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)(C(=O)[O-])C1CC1	REAL300007651897	0	47	-1.0	-46.94	374.49	4.24	-42.70
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)(C(=O)[O-])C1CC1	REAL300007651898	0	44	-1.0	-57.19	353.62	4.23	-52.96
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651899	0	41	-1.0	-65.68	343.24	2.65	-63.03
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651900	0	42	-1.0	-58.55	352.65	1.15	-57.40
CC1=CC=C(CS(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C	REAL300007651901	0	41	-1.0	-50.41	324.06	5.84	-44.57
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Br	REAL300007651902	0	39	-1.0	-44.83	332.50	4.69	-40.14
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1C1=CC=CC=C1	REAL300007651903	0	46	-1.0	-47.17	368.89	6.87	-40.30
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)(C(=O)[O-])C1CC1	REAL300007651904	0	36	-1.0	-56.81	318.73	4.78	-52.03
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651905	0	39	-1.0	-50.33	330.46	4.44	-45.89
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C2S1	REAL300007651906	0	46	-1.0	-45.19	373.71	5.75	-39.44
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651907	0	39	-1.0	-44.28	331.67	5.04	-39.24
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=CC=C21	REAL300007651908	0	44	-1.0	-47.11	351.16	5.33	-41.78
CCS(=O)(=O)NCCS(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651909	0	39	-1.0	-56.25	325.83	-1.35	-57.60
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)OC2=CC=C(F)C=C12	REAL300007651910	0	38	-1.0	-44.29	318.90	4.98	-39.31
CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)(C(=O)[O-])C1CC1	REAL300007651911	0	35	-1.0	-41.19	315.72	5.81	-35.38
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC(Cl)=CC=C2S1	REAL300007651912	0	38	-1.0	-52.94	329.56	6.99	-45.95
CC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)(C(=O)[O-])C1CC1	REAL300007651913	0	35	-1.0	-41.14	319.24	5.75	-35.39
CC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)(C(=O)[O-])C1CC1	REAL300007651914	0	38	-1.0	-60.34	321.63	7.09	-53.25
CC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300007651915	0	38	-1.0	-40.08	320.41	5.55	-34.53
CC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)(C(=O)[O-])C1CC1	REAL300007651916	0	43	-1.0	-50.64	343.03	5.25	-45.39
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)(C(=O)[O-])C1CC1	REAL300007651917	0	46	-1.0	-43.29	378.42	7.40	-35.89
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651918	0	45	-1.0	-46.29	365.93	5.28	-41.01
CC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)(C(=O)[O-])C1CC1	REAL300007651919	0	43	-1.0	-55.13	361.97	0.96	-54.17
CC1=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C2=CC=CC(C)=C2S1	REAL300007651920	0	41	-1.0	-45.14	328.57	6.47	-38.67
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1N(C)C	REAL300007651921	0	43	-1.0	-46.65	335.63	4.46	-42.19
CC(NS(=O)(=O)CCC1=CC=CC=C1Br)(C(=O)[O-])C1CC1	REAL300007651922	0	38	-1.0	-48.95	323.34	5.86	-43.09
CC(NS(=O)(=O)C1=C2OCCCN2N=C1)(C(=O)[O-])C1CC1	REAL300007651923	0	37	-1.0	-62.01	304.10	1.13	-60.88
CC(NS(=O)(=O)CCOCC1CCCC1)(C(=O)[O-])C1CC1	REAL300007651924	0	45	-1.0	-46.95	346.61	4.38	-42.57
COC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Cl	REAL300007651925	0	39	-1.0	-59.14	323.88	4.89	-54.25
CC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)(C(=O)[O-])C1CC1	REAL300007651926	0	41	-1.0	-60.73	346.33	2.15	-58.58
CSC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Cl	REAL300007651927	0	36	-1.0	-46.01	315.94	5.28	-40.73
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651928	0	44	-1.0	-53.26	340.45	4.57	-48.69
CC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)(C(=O)[O-])C1CC1	REAL300007651929	0	40	-1.0	-54.60	333.60	2.76	-51.84
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C12	REAL300007651930	0	39	-1.0	-45.18	323.47	1.55	-43.63
CC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)(C(=O)[O-])C1CC1	REAL300007651931	0	43	-1.0	-43.68	357.05	3.54	-40.14
CN1N=CC2=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=CN=C21	REAL300007651932	0	37	-1.0	-46.49	306.45	2.98	-43.51
CC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)(C(=O)[O-])C1CC1	REAL300007651933	0	38	-1.0	-45.40	327.71	6.68	-38.72
CCC1=CC(CC)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(CC)=C1	REAL300007651934	0	50	-1.0	-52.77	357.28	8.61	-44.16
CC(NS(=O)(=O)C1=CN2CCCCC2=N1)(C(=O)[O-])C1CC1	REAL300007651935	0	39	-1.0	-63.64	306.63	5.28	-58.36
CC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)(C(=O)[O-])C1CC1	REAL300007651936	0	38	-1.0	-52.75	331.07	2.28	-50.47
CC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)(C(=O)[O-])C1CC1	REAL300007651937	0	41	-1.0	-69.20	329.22	8.07	-61.13
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1F	REAL300007651938	0	39	-1.0	-42.77	315.86	4.00	-38.77
CC(NS(=O)(=O)CC1(C)CCCCC1)(C(=O)[O-])C1CC1	REAL300007651939	0	44	-1.0	-49.11	311.70	5.41	-43.70
CC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)(C(=O)[O-])C1CC1	REAL300007651940	0	41	-1.0	-46.20	324.10	5.30	-40.90
CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)(C(=O)[O-])C1CC1	REAL300007651942	0	40	-1.0	-44.13	330.38	5.02	-39.11
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651943	0	39	-1.0	-54.09	332.91	4.47	-49.62
CC1=CC=C(CS(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(F)=C1	REAL300007651944	0	38	-1.0	-46.20	311.60	5.34	-40.86
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)(C(=O)[O-])C1CC1	REAL300007651946	0	32	-1.0	-42.80	293.98	4.09	-38.71
CC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)(C(=O)[O-])C1CC1	REAL300007651947	0	45	-1.0	-50.62	350.72	7.21	-43.41
CC(C)(C)C1=CC(CS(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=NO1	REAL300007651948	0	43	-1.0	-44.23	342.98	4.61	-39.62
CC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)(C(=O)[O-])C1CC1	REAL300007651949	0	41	-1.0	-46.88	323.08	1.04	-45.84
CC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)(C(=O)[O-])C1CC1	REAL300007651950	0	35	-1.0	-44.20	300.77	4.51	-39.69
CC1=C(CCS(=O)(=O)NC(C)(C(=O)[O-])C2CC2)SC=N1	REAL300007651951	0	37	-1.0	-49.25	310.65	3.14	-46.11
CC(NS(=O)(=O)CC12CCC(CC1)C2)(C(=O)[O-])C1CC1	REAL300007651952	0	42	-1.0	-49.74	310.31	5.29	-44.45
COC1=CC=C2C=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)CCC2=C1	REAL300007651953	0	44	-1.0	-46.99	346.87	5.55	-41.44
CC(C)(CCS(=O)(=O)NC(C)(C(=O)[O-])C1CC1)S(C)(=O)=O	REAL300007651954	0	43	-1.0	-58.03	335.27	1.03	-57.00
CC(NS(=O)(=O)CC1CCCCC1(F)F)(C(=O)[O-])C1CC1	REAL300007651955	0	41	-1.0	-47.51	315.28	5.07	-42.44
CC(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)(C(=O)[O-])C1CC1	REAL300007651956	0	39	-1.0	-50.23	311.45	5.97	-44.26
CCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007651957	0	40	-1.0	-46.77	322.43	5.58	-41.19
CC(NS(=O)(=O)C1=CC=C(Cl)C=C1)(C(=O)[O-])C1CC1	REAL300007651958	0	32	-1.0	-38.21	276.13	4.27	-33.94
CC(NS(=O)(=O)C1=CC=C(Br)C=C1)(C(=O)[O-])C1CC1	REAL300007651959	0	32	-1.0	-38.20	280.69	4.38	-33.82
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)(C(=O)[O-])C1CC1	REAL300007651960	0	34	-1.0	-37.37	287.62	4.42	-32.95
CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)(C(=O)[O-])C1CC1	REAL300007651961	0	38	-1.0	-47.62	306.45	6.07	-41.55
CC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)(C(=O)[O-])C1CC1	REAL300007651962	0	34	-1.0	-52.03	289.49	4.91	-47.12
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651963	0	37	-1.0	-42.81	305.25	5.24	-37.57
CC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])(C(=O)[O-])C1CC1	REAL300007651964	0	34	-1.0	-60.91	280.12	5.72	-55.19
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651965	0	39	-1.0	-59.85	335.74	5.57	-54.28
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651966	0	39	-1.0	-41.98	310.74	3.98	-38.00
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1C	REAL300007651967	0	44	-1.0	-55.69	323.40	6.88	-48.81
CC1=CC(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1	REAL300007651968	0	41	-1.0	-56.32	311.47	6.50	-49.82
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651969	0	47	-1.0	-43.31	353.25	6.89	-36.42
CC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)(C(=O)[O-])C1CC1	REAL300007651970	0	35	-1.0	-46.57	299.35	4.82	-41.75
CC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)(C(=O)[O-])C1CC1	REAL300007651971	0	35	-1.0	-42.73	287.75	5.41	-37.32
CC(NS(=O)(=O)C1=CC=CC(Cl)=C1)(C(=O)[O-])C1CC1	REAL300007651972	0	32	-1.0	-53.02	278.00	4.77	-48.25
CC(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651973	0	37	-1.0	-43.92	300.63	4.16	-39.76
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007651974	0	38	-1.0	-50.37	316.24	4.55	-45.82
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651975	0	44	-1.0	-42.10	335.61	6.08	-36.02
CC(C)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651976	0	41	-1.0	-41.82	319.62	5.68	-36.14
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651977	0	43	-1.0	-47.02	354.99	1.75	-45.27
CCCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651978	0	41	-1.0	-41.25	323.79	5.97	-35.28
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1Br	REAL300007651979	0	36	-1.0	-46.54	310.63	3.78	-42.76
CC1=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=CC=C1Br	REAL300007651980	0	35	-1.0	-43.74	300.23	4.98	-38.76
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)C=C2)=C1	REAL300007651981	0	46	-1.0	-44.34	369.59	7.26	-37.08
CC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300007651982	0	36	-1.0	-37.86	305.38	3.55	-34.31
CC1=C(C)C(C)=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C(C)=C1C	REAL300007651983	0	47	-1.0	-45.67	334.74	6.66	-39.01
CC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)(C(=O)[O-])C1CC1	REAL300007651984	0	41	-1.0	-46.50	323.56	3.74	-42.76
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651985	0	48	-1.0	-47.07	368.03	5.97	-41.10
CC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007651986	0	37	-1.0	-45.66	306.18	5.03	-40.63
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651987	0	36	-1.0	-44.32	313.50	4.21	-40.11
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C)(C(=O)[O-])C1CC1	REAL300007651988	0	50	-1.0	-55.37	366.09	8.35	-47.02
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)(C(=O)[O-])C1CC1	REAL300007651989	0	35	-1.0	-37.64	298.15	4.76	-32.88
CC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)(C(=O)[O-])C1CC1	REAL300007651990	0	42	-1.0	-46.94	323.47	6.29	-40.65
COC1=CC=C(OC)C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1	REAL300007651991	0	40	-1.0	-49.56	321.67	2.89	-46.67
COC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1OC	REAL300007651992	0	40	-1.0	-47.57	319.45	3.01	-44.56
CC(NS(=O)(=O)C1=CC=C2CCCC2=C1)(C(=O)[O-])C1CC1	REAL300007651993	0	39	-1.0	-57.84	306.79	6.15	-51.69
CC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)(C(=O)[O-])C1CC1	REAL300007651994	0	40	-1.0	-46.10	317.86	6.24	-39.86
CC(NS(=O)(=O)C1=CC=C2OCCC2=C1)(C(=O)[O-])C1CC1	REAL300007651995	0	37	-1.0	-55.82	297.12	4.10	-51.72
CC(C)CCC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1	REAL300007651996	0	47	-1.0	-41.15	362.85	7.26	-33.89
CCOC1=CC=C(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)C=C1OCC	REAL300007651997	0	46	-1.0	-46.05	363.17	4.86	-41.19
CC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)(C(=O)[O-])C1CC1	REAL300007651998	0	37	-1.0	-46.99	313.57	-1.29	-48.28
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C)(C(=O)[O-])C2CC2)=C1C	REAL300007651999	0	40	-1.0	-41.87	322.76	5.72	-36.15
CC1=CC2=CC=CC(S(=O)(=O)NC(C)(C(=O)[O-])C3CC3)=C2N=C1	REAL300007652000	0	40	-1.0	-51.12	328.78	5.27	-45.85
CC1=C(Br)C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300007652715	0	31	-1.0	-38.22	298.86	4.46	-33.76
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652716	0	37	-1.0	-49.39	333.08	2.70	-46.69
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C	REAL300007652717	0	37	-1.0	-42.21	327.90	-0.32	-42.53
O=C([O-])C1(NS(=O)(=O)N2CCC3(CCCCC3)CC2)CC1	REAL300007652718	0	44	-1.0	-39.41	312.19	4.14	-35.27
CC1=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=CC=C2C=C1	REAL300007652719	0	34	-1.0	-52.51	302.74	3.73	-48.78
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CC1	REAL300007652720	0	34	-1.0	-48.56	299.57	4.64	-43.92
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCCCO2)CC1	REAL300007652721	0	44	-1.0	-47.09	384.59	5.31	-41.78
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)CC1	REAL300007652722	0	37	-1.0	-45.13	313.32	1.20	-43.93
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652723	0	40	-1.0	-45.89	363.18	3.51	-42.38
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652724	0	40	-1.0	-46.29	357.86	3.74	-42.55
COCCOCCOCCS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652725	0	40	-1.0	-46.59	343.73	0.06	-46.53
CC(COC1CCCC1)CS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652726	0	42	-1.0	-57.97	341.28	4.08	-53.89
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)CC1	REAL300007652727	0	41	-1.0	-45.84	364.67	3.76	-42.08
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652728	0	33	-1.0	-41.05	304.29	3.03	-38.02
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(OC)=C1	REAL300007652729	0	44	-1.0	-51.83	386.49	0.92	-50.91
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)CC1	REAL300007652730	0	34	-1.0	-43.28	294.11	0.41	-42.87
COC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652731	0	30	-1.0	-41.45	286.54	2.65	-38.80
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CC1	REAL300007652732	0	30	-1.0	-44.95	285.52	2.54	-42.41
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300007652733	0	32	-1.0	-41.34	291.06	3.43	-37.91
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652734	0	32	-1.0	-40.73	297.37	4.49	-36.24
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652735	0	32	-1.0	-43.22	295.37	4.51	-38.71
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300007652736	0	32	-1.0	-38.86	289.97	4.20	-34.66
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CC1	REAL300007652737	0	33	-1.0	-45.52	303.62	3.11	-42.41
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1C	REAL300007652738	0	53	-1.0	-55.65	427.04	7.21	-48.44
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300007652739	0	40	-1.0	-44.50	346.63	0.61	-43.89
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300007652740	0	34	-1.0	-59.25	313.94	4.89	-54.36
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Br)=C2)CC1	REAL300007652741	0	29	-1.0	-41.03	280.64	4.11	-36.92
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2Br)CC1	REAL300007652742	0	29	-1.0	-57.46	280.92	3.99	-53.47
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CC1	REAL300007652743	0	33	-1.0	-58.91	300.72	0.59	-58.32
CC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652744	0	29	-1.0	-39.63	278.45	4.01	-35.62
CC1=C(Br)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652745	0	29	-1.0	-41.67	275.33	4.04	-37.63
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1Br	REAL300007652746	0	30	-1.0	-40.72	285.53	2.67	-38.05
COC1=CC(OC)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300007652747	0	34	-1.0	-47.24	315.67	2.37	-44.87
O=C([O-])C1(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CC1	REAL300007652748	0	29	-1.0	-45.36	280.04	1.74	-43.62
CC1(C)CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C2O1	REAL300007652749	0	37	-1.0	-44.30	313.13	3.97	-40.33
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CC1	REAL300007652750	0	29	-1.0	-61.06	268.57	2.56	-58.50
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652751	0	37	-1.0	-63.74	300.05	0.92	-62.82
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1I	REAL300007652752	0	29	-1.0	-39.63	280.89	4.31	-35.32
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652753	0	38	-1.0	-59.81	345.82	1.97	-57.84
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652754	0	43	-1.0	-39.99	360.99	2.10	-37.89
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652755	0	43	-1.0	-48.93	380.58	1.30	-47.63
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300007652756	0	34	-1.0	-45.53	314.19	-0.55	-46.08
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300007652757	0	40	-1.0	-62.46	377.88	0.40	-62.06
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(OC)=C1	REAL300007652758	0	41	-1.0	-52.14	365.00	0.14	-52.00
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(F)=C1	REAL300007652759	0	40	-1.0	-65.86	350.45	1.48	-64.38
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652760	0	40	-1.0	-57.37	361.30	0.54	-56.83
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652761	0	37	-1.0	-54.19	312.28	2.36	-51.83
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300007652762	0	40	-1.0	-44.45	357.15	1.13	-43.32
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)CC1	REAL300007652763	0	41	-1.0	-68.81	339.78	3.90	-64.91
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1F	REAL300007652764	0	37	-1.0	-44.78	335.65	0.33	-44.45
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CC1	REAL300007652765	0	41	-1.0	-42.50	349.29	3.12	-39.38
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CC1	REAL300007652766	0	38	-1.0	-47.75	334.97	2.40	-45.35
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652767	0	35	-1.0	-43.07	317.85	1.13	-41.94
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652768	0	36	-1.0	-59.29	330.26	-0.32	-59.61
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300007652769	0	33	-1.0	-42.03	307.30	3.57	-38.46
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300007652770	0	40	-1.0	-44.92	343.84	5.78	-39.14
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CC1	REAL300007652771	0	30	-1.0	-44.52	295.84	2.99	-41.53
O=C([O-])C1(NS(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)CC1	REAL300007652772	0	32	-1.0	-41.37	318.15	0.92	-40.45
COC1=CC=C(Br)C(CS(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652773	0	33	-1.0	-44.13	305.15	3.34	-40.79
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2S1	REAL300007652774	0	40	-1.0	-44.83	348.78	4.66	-40.17
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652775	0	33	-1.0	-46.30	309.31	3.62	-42.68
CC(C)N1N=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC=C21	REAL300007652776	0	38	-1.0	-44.60	326.38	4.25	-40.35
CCS(=O)(=O)NCCS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652777	0	33	-1.0	-45.91	299.10	-2.51	-48.42
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)OC2=CC=C(F)C=C12	REAL300007652778	0	32	-1.0	-55.78	292.70	4.63	-51.15
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CC1	REAL300007652779	0	29	-1.0	-54.83	298.03	4.73	-50.10
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC(Cl)=CC=C2S1	REAL300007652780	0	32	-1.0	-57.93	308.19	5.61	-52.32
O=C([O-])C1(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CC1	REAL300007652781	0	29	-1.0	-42.59	295.39	4.42	-38.17
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CC1	REAL300007652782	0	32	-1.0	-46.07	298.30	5.45	-40.62
O=C([O-])C1(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CC1	REAL300007652783	0	32	-1.0	-40.99	298.67	4.58	-36.41
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)CC1	REAL300007652784	0	37	-1.0	-59.22	321.61	4.06	-55.16
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CC1	REAL300007652785	0	40	-1.0	-45.35	356.69	5.73	-39.62
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652786	0	39	-1.0	-47.21	346.68	4.14	-43.07
O=C([O-])C1(NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)CC1	REAL300007652787	0	37	-1.0	-44.59	335.25	-0.19	-44.78
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CC(C)=C2S1	REAL300007652788	0	35	-1.0	-57.45	311.70	5.71	-51.74
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2Br)CC1	REAL300007652789	0	32	-1.0	-42.38	296.67	4.71	-37.67
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300007652790	0	33	-1.0	-45.26	302.11	3.36	-41.90
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652791	0	35	-1.0	-49.92	320.05	1.00	-48.92
CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300007652792	0	30	-1.0	-42.01	290.75	4.14	-37.87
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652793	0	38	-1.0	-51.13	318.50	3.24	-47.89
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CC1	REAL300007652794	0	34	-1.0	-43.99	307.50	1.28	-42.71
CCC1=NOC2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C12	REAL300007652795	0	33	-1.0	-43.44	296.92	0.43	-43.01
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)CC1	REAL300007652796	0	37	-1.0	-46.10	332.73	2.51	-43.59
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)CC1	REAL300007652797	0	32	-1.0	-41.33	302.88	5.59	-35.74
CCC1=CC(CC)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(CC)=C1	REAL300007652798	0	44	-1.0	-51.77	337.73	8.03	-43.74
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652799	1	41	-1.0	-49.90	356.27	-0.24	-50.14
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CC1	REAL300007652800	0	32	-1.0	-39.21	304.29	0.80	-38.41
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CC1	REAL300007652801	0	35	-1.0	-53.66	304.14	6.29	-47.37
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C)=C1F	REAL300007652802	0	33	-1.0	-44.38	292.74	2.77	-41.61
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)CC1	REAL300007652803	0	35	-1.0	-47.92	288.89	3.73	-44.19
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CC1	REAL300007652805	0	34	-1.0	-53.34	311.66	4.00	-49.34
COCC1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652806	0	33	-1.0	-39.75	307.54	2.95	-36.80
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)CC1	REAL300007652807	0	26	-1.0	-53.46	275.08	2.97	-50.49
O=C([O-])C1(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)CC1	REAL300007652808	0	39	-1.0	-59.69	329.21	6.01	-53.68
CC(C)(C)C1=CC(CS(=O)(=O)NC2(C(=O)[O-])CC2)=NO1	REAL300007652809	0	37	-1.0	-45.07	321.94	3.36	-41.71
O=C([O-])C1(NS(=O)(=O)CC2CCCS(=O)(=O)C2)CC1	REAL300007652810	0	35	-1.0	-53.36	295.41	-0.10	-53.46
COC1=CC=C2C=C(S(=O)(=O)NC3(C(=O)[O-])CC3)CCC2=C1	REAL300007652811	0	38	-1.0	-55.08	320.76	4.78	-50.30
CC(C)(CCS(=O)(=O)NC1(C(=O)[O-])CC1)S(C)(=O)=O	REAL300007652812	0	37	-1.0	-53.01	308.50	-0.13	-53.14
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C12	REAL300007652813	0	41	-1.0	-49.88	359.60	5.93	-43.95
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C12	REAL300007652814	0	45	-1.0	-46.27	377.68	3.44	-42.83
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300007652815	0	34	-1.0	-44.37	298.78	4.56	-39.81
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C=C2)CC1	REAL300007652816	0	26	-1.0	-40.17	260.56	3.18	-36.99
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652817	0	31	-1.0	-45.08	286.52	4.16	-40.92
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652818	0	33	-1.0	-45.37	313.07	3.71	-41.66
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652819	0	41	-1.0	-45.66	334.30	5.75	-39.91
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300007652820	0	29	-1.0	-40.85	274.67	3.73	-37.12
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)CC1	REAL300007652821	0	29	-1.0	-42.37	266.32	4.14	-38.23
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300007652822	0	32	-1.0	-42.30	291.20	3.46	-38.84
O=C([O-])C1(NS(=O)(=O)C2=CC=C(S(=O)(=O)N3CCOCC3)C=C2)CC1	REAL300007652823	0	42	-1.0	-56.28	363.48	0.65	-55.63
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652824	0	43	-1.0	-57.25	378.91	2.47	-54.78
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652825	0	37	-1.0	-57.85	338.48	0.72	-57.13
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300007652826	0	30	-1.0	-42.17	285.45	2.64	-39.53
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)CC1	REAL300007652827	0	32	-1.0	-36.91	314.15	4.73	-32.18
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1Br	REAL300007652828	0	29	-1.0	-39.46	275.18	3.90	-35.56
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2)=C1	REAL300007652829	0	40	-1.0	-45.22	351.76	6.14	-39.08
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300007652830	0	30	-1.0	-40.64	285.25	2.36	-38.28
CC1=C(C)C(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C)=C1C	REAL300007652831	0	41	-1.0	-44.12	308.86	5.42	-38.70
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)CC1	REAL300007652832	0	35	-1.0	-47.26	298.46	2.67	-44.59
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652833	0	42	-1.0	-47.93	345.59	4.52	-43.41
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C21	REAL300007652834	0	33	-1.0	-45.07	311.10	5.09	-39.98
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300007652835	0	31	-1.0	-43.62	279.38	3.83	-39.79
COC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652836	0	30	-1.0	-44.65	290.75	2.84	-41.81
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652837	0	44	-1.0	-53.48	341.26	7.29	-46.19
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300007652838	0	29	-1.0	-52.35	280.90	3.76	-48.59
COC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652839	0	34	-1.0	-49.29	298.95	1.51	-47.78
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1OC	REAL300007652840	0	34	-1.0	-44.79	294.29	1.88	-42.91
CC(C)CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652841	0	41	-1.0	-56.41	345.60	6.26	-50.15
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1OCC	REAL300007652842	0	40	-1.0	-45.21	338.00	3.72	-41.49
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652843	0	31	-1.0	-59.11	296.33	-2.28	-61.39
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300007652844	0	34	-1.0	-45.98	299.51	4.54	-41.44
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1C	REAL300007652845	0	34	-1.0	-44.60	300.58	4.67	-39.93
CC1=CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=C2N=C1	REAL300007652846	0	34	-1.0	-49.23	297.41	3.78	-45.45
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300007652847	0	32	-1.0	-45.90	289.26	3.41	-42.49
COC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652848	0	30	-1.0	-43.39	286.90	3.01	-40.38
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652849	0	31	-1.0	-41.97	289.87	-2.32	-44.29
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)CC1	REAL300007652850	0	38	-1.0	-47.06	344.77	0.57	-46.49
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652851	0	34	-1.0	-36.00	294.44	4.48	-31.52
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CN=C12	REAL300007652852	0	34	-1.0	-48.21	296.89	3.87	-44.34
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C	REAL300007652853	0	34	-1.0	-48.06	301.67	5.53	-42.53
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652854	0	37	-1.0	-49.70	331.15	0.67	-49.03
O=C([O-])C1(NS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)CC1	REAL300007652855	0	38	-1.0	-48.63	321.83	1.98	-46.65
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652856	0	32	-1.0	-43.30	296.38	0.23	-43.07
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CC1	REAL300007652857	0	36	-1.0	-61.53	306.16	6.95	-54.58
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300007652858	0	36	-1.0	-57.13	316.33	6.18	-50.95
CN(C)C1=CC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=CC=C12	REAL300007652859	0	40	-1.0	-47.28	335.04	4.79	-42.49
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652860	0	30	-1.0	-44.77	286.19	2.73	-42.04
CCC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652861	0	41	-1.0	-42.72	328.11	5.58	-37.14
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CC1	REAL300007652862	0	31	-1.0	-41.54	301.73	5.33	-36.21
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)CC1	REAL300007652863	0	37	-1.0	-44.19	342.51	6.18	-38.01
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652864	0	32	-1.0	-41.68	298.38	3.16	-38.52
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CC1	REAL300007652865	0	37	-1.0	-51.99	341.46	6.49	-45.50
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2)C=C1	REAL300007652866	0	41	-1.0	-53.25	354.23	5.26	-47.99
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C(C)C)=C1	REAL300007652867	0	53	-1.0	-52.82	401.07	9.39	-43.43
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300007652868	0	42	-1.0	-49.74	349.45	5.84	-43.90
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300007652869	0	29	-1.0	-56.00	296.14	4.41	-51.59
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300007652870	0	36	-1.0	-48.71	309.95	4.29	-44.42
O=C([O-])C1(NS(=O)(=O)C2=CC=C(S(=O)(=O)N3CCCCC3)C=C2)CC1	REAL300007652871	0	44	-1.0	-57.23	379.14	2.73	-54.50
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C1(C)NC(=O)NC1=O	REAL300007652872	0	42	-1.0	-45.78	355.24	0.41	-45.37
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652873	0	31	-1.0	-40.24	286.53	4.15	-36.09
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652874	0	31	-1.0	-40.70	278.79	3.93	-36.77
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652875	0	34	-1.0	-65.06	302.70	5.28	-59.78
CC(C)CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652876	0	42	-1.0	-43.11	351.18	4.90	-38.21
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CC1	REAL300007652877	0	40	-1.0	-54.69	335.84	4.90	-49.79
CC(C)COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652878	0	39	-1.0	-43.20	332.21	4.29	-38.91
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Cl	REAL300007652879	0	30	-1.0	-42.29	281.06	2.52	-39.77
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CC1	REAL300007652880	0	30	-1.0	-42.66	290.82	2.79	-39.87
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1OC(C)C	REAL300007652881	0	39	-1.0	-43.01	324.20	4.24	-38.77
COCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652882	0	37	-1.0	-44.68	324.23	2.06	-42.62
CC1=CC(Br)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652883	0	29	-1.0	-41.21	279.58	4.10	-37.11
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1C	REAL300007652884	0	34	-1.0	-45.87	289.99	5.38	-40.49
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652885	0	35	-1.0	-55.63	315.92	0.89	-54.74
O=C([O-])C1(NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)CC1	REAL300007652886	0	38	-1.0	-47.14	346.69	0.64	-46.50
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652887	0	34	-1.0	-58.08	318.76	-1.07	-59.15
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652888	0	34	-1.0	-56.25	301.66	1.56	-54.69
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CC1	REAL300007652889	0	36	-1.0	-45.29	309.87	6.14	-39.15
O=C([O-])C1(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300007652890	0	29	-1.0	-37.84	292.82	4.50	-33.34
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)S2)=CS1	REAL300007652891	0	32	-1.0	-56.15	321.94	3.32	-52.83
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)CC1	REAL300007652892	0	46	-1.0	-42.14	372.25	6.41	-35.73
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652893	0	34	-1.0	-52.16	302.55	3.78	-48.38
CNC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CN1C	REAL300007652894	0	34	-1.0	-44.94	300.37	0.35	-44.59
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CC1	REAL300007652895	0	37	-1.0	-45.51	319.89	6.83	-38.68
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300007652896	0	34	-1.0	-54.67	281.81	3.60	-51.07
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC1(C(=O)[O-])CC1)=C2	REAL300007652897	0	39	-1.0	-49.69	335.49	6.55	-43.14
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300007652898	0	31	-1.0	-47.20	292.53	3.39	-43.81
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)CC1	REAL300007652899	0	33	-1.0	-41.39	310.18	3.26	-38.13
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CC1	REAL300007652900	0	40	-1.0	-55.85	353.39	6.04	-49.81
O=C([O-])C1(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300007652901	0	36	-1.0	-45.69	322.07	4.22	-41.47
CC(C)CCN(CCC(C)C)S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652902	0	48	-1.0	-43.46	371.63	5.82	-37.64
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652903	0	34	-1.0	-48.63	310.85	-0.52	-49.15
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(S(=O)(=O)N3CCCC3)=C2)CC1	REAL300007652904	0	41	-1.0	-51.04	357.63	1.86	-49.18
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300007652905	0	39	-1.0	-48.64	331.80	5.21	-43.43
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CC1	REAL300007652906	0	31	-1.0	-50.18	283.96	2.89	-47.29
O=C([O-])C1(NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300007652907	0	33	-1.0	-47.38	296.65	3.78	-43.60
CCOCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652908	0	40	-1.0	-44.63	346.09	3.03	-41.60
CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1	REAL300007652909	0	42	-1.0	-54.50	357.99	5.34	-49.16
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CC1	REAL300007652910	0	32	-1.0	-56.99	291.16	4.44	-52.55
O=C([O-])C1(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CC1	REAL300007652911	0	30	-1.0	-41.44	295.64	4.03	-37.41
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)CC1	REAL300007652912	0	34	-1.0	-51.29	297.16	4.03	-47.26
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CC1	REAL300007652913	0	31	-1.0	-55.33	283.38	3.26	-52.07
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652914	0	34	-1.0	-47.43	312.36	-1.10	-48.53
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2OC(F)F)CC1	REAL300007652915	0	30	-1.0	-46.74	279.14	2.48	-44.26
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(S(=O)(=O)N3CCCCC3)=C2)CC1	REAL300007652916	0	44	-1.0	-50.19	372.83	2.72	-47.47
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300007652917	0	32	-1.0	-57.19	302.96	4.43	-52.76
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)CC1	REAL300007652918	0	38	-1.0	-45.10	328.40	4.64	-40.46
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300007652919	0	32	-1.0	-39.47	289.97	4.21	-35.26
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CC1	REAL300007652920	0	32	-1.0	-45.89	301.30	4.09	-41.80
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CC1	REAL300007652921	0	35	-1.0	-44.44	300.56	4.32	-40.12
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C12	REAL300007652922	0	34	-1.0	-44.74	302.39	2.46	-42.28
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652923	0	33	-1.0	-44.26	303.91	3.34	-40.92
CC1(C)CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=C2O1	REAL300007652924	0	37	-1.0	-61.06	320.89	4.42	-56.64
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)CC1	REAL300007652925	0	38	-1.0	-58.21	334.28	1.30	-56.91
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300007652926	0	33	-1.0	-38.67	305.01	3.27	-35.40
COC1=CC(OC)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1Br	REAL300007652927	0	34	-1.0	-47.16	320.06	2.49	-44.67
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(COCC(F)(F)C(F)F)=C2)CC1	REAL300007652928	0	39	-1.0	-53.55	356.75	4.89	-48.66
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC1	REAL300007652929	0	34	-1.0	-47.80	303.33	3.25	-44.55
O=C([O-])C1(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CC1	REAL300007652930	0	29	-1.0	-58.41	291.26	4.34	-54.07
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652931	0	38	-1.0	-53.66	322.99	1.36	-52.30
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CC1	REAL300007652932	0	37	-1.0	-44.60	347.07	5.97	-38.63
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300007652933	0	32	-1.0	-48.77	294.92	4.02	-44.75
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300007652934	0	32	-1.0	-45.60	311.63	4.55	-41.05
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2)=CO1	REAL300007652935	0	35	-1.0	-57.07	318.46	1.80	-55.27
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300007652936	0	29	-1.0	-44.87	279.05	1.52	-43.35
CC1=CC=C(N2C=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=N2)C=C1	REAL300007652937	0	36	-1.0	-47.14	318.05	4.46	-42.68
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CC3)=CC(Cl)=C2O1	REAL300007652938	0	34	-1.0	-43.15	309.41	3.82	-39.33
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300007652939	0	31	-1.0	-38.58	279.36	3.84	-34.74
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=N1	REAL300007652940	0	37	-1.0	-50.06	323.58	3.41	-46.65
CC1=CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C2C=C1	REAL300007652941	0	35	-1.0	-44.75	302.97	5.65	-39.10
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C(Cl)C=C2)CC1	REAL300007652942	0	32	-1.0	-56.79	302.45	4.74	-52.05
CN1CCCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CC3)C=C21	REAL300007652943	0	38	-1.0	-44.33	309.95	3.27	-41.06
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CC1	REAL300007652944	0	28	-1.0	-38.77	271.85	2.02	-36.75
COC1=CC=CC(OC)=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652945	0	34	-1.0	-62.19	296.10	3.25	-58.94
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1	REAL300007652946	0	34	-1.0	-42.26	301.98	4.71	-37.55
CC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300007652947	0	34	-1.0	-57.76	293.48	5.49	-52.27
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300007652948	0	34	-1.0	-45.12	299.89	4.67	-40.45
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300007652949	0	35	-1.0	-56.97	315.50	4.42	-52.55
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC(OC)=C1	REAL300007652950	0	34	-1.0	-45.81	295.34	1.33	-44.48
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CC2)=CC=C1Cl	REAL300007652951	0	30	-1.0	-40.81	281.15	2.56	-38.25
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CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(C)C	REAL300007652996	0	51	-1.0	-42.47	409.99	7.30	-35.17
COC1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C	REAL300007652997	0	42	-1.0	-46.38	342.54	4.59	-41.79
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CC1	REAL300007652998	0	36	-1.0	-45.97	316.20	3.73	-42.24
CCOCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)C=C1C(C)C	REAL300007652999	0	49	-1.0	-46.41	400.97	5.15	-41.26
CC(C)(C)C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CC2)S1	REAL300007653000	0	34	-1.0	-53.32	311.22	2.45	-50.87
COC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653635	0	33	-1.0	-53.51	265.40	3.94	-49.57
CC1=C(Br)C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1[N+](=O)[O-]	REAL300007653636	0	34	-1.0	-56.20	309.51	5.39	-50.81
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653637	0	40	-1.0	-49.68	340.84	3.26	-46.42
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C	REAL300007653638	0	40	-1.0	-59.38	339.53	0.66	-58.72
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CC1=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=CC=C2C=C1	REAL300007653640	0	37	-1.0	-51.75	311.67	4.39	-47.36
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COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653643	0	43	-1.0	-44.98	368.97	4.28	-40.70
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653644	0	43	-1.0	-45.74	364.75	4.39	-41.35
COCCOCCOCCS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653645	0	43	-1.0	-58.09	356.14	1.14	-56.95
CC(COC1CCCC1)CS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653646	0	45	-1.0	-57.83	347.70	5.24	-52.59
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COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300007653648	0	36	-1.0	-54.28	315.53	4.00	-50.28
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COC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300007653650	0	33	-1.0	-55.44	297.90	3.61	-51.83
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COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1[N+](=O)[O-]	REAL300007653652	0	35	-1.0	-51.58	302.64	4.43	-47.15
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653653	0	35	-1.0	-54.44	302.92	5.48	-48.96
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653654	0	35	-1.0	-43.13	303.96	5.05	-38.08
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1C(F)(F)F	REAL300007653655	0	35	-1.0	-52.27	301.54	5.20	-47.07
O=C([O-])C1(NS(=O)(=O)CCCN2CCOCC2)CCC1	REAL300007653656	0	41	-1.0	-58.00	321.75	0.79	-57.21
COCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=N1	REAL300007653657	0	36	-1.0	-41.82	306.28	0.68	-41.14
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CCCCCCCCN1N=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1C	REAL300007653659	0	56	-1.0	-43.65	436.17	7.59	-36.06
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1F	REAL300007653660	0	43	-1.0	-56.86	357.41	1.59	-55.27
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CC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300007653666	0	32	-1.0	-40.73	289.01	4.45	-36.28
CC1=C(Br)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653667	0	32	-1.0	-40.71	284.17	4.60	-36.11
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1Br	REAL300007653668	0	33	-1.0	-52.27	296.88	3.66	-48.61
COC1=CC(OC)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Cl	REAL300007653669	0	37	-1.0	-53.33	304.58	3.75	-49.58
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CC1(C)CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=CC=C2O1	REAL300007653672	0	40	-1.0	-43.54	323.76	4.41	-39.13
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CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653674	0	40	-1.0	-40.48	301.59	0.82	-39.66
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1I	REAL300007653675	0	32	-1.0	-57.12	292.47	5.32	-51.80
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653676	0	41	-1.0	-59.80	350.63	2.90	-56.90
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300007653677	0	46	-1.0	-56.84	383.90	3.40	-53.44
CSC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653678	0	33	-1.0	-61.17	285.74	4.84	-56.33
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653679	0	46	-1.0	-67.84	389.87	2.20	-65.64
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1F	REAL300007653680	0	37	-1.0	-58.62	325.82	0.46	-58.16
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)S1	REAL300007653681	0	43	-1.0	-47.12	381.87	0.86	-46.26
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(OC)=C1	REAL300007653682	0	44	-1.0	-66.60	372.73	1.15	-65.45
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(F)=C1	REAL300007653683	0	43	-1.0	-59.24	360.92	1.78	-57.46
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653684	0	43	-1.0	-57.33	366.33	1.48	-55.85
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653685	0	40	-1.0	-68.18	328.51	3.89	-64.29
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1F	REAL300007653686	0	43	-1.0	-57.13	368.79	2.14	-54.99
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)CCC1	REAL300007653687	0	44	-1.0	-69.25	345.65	4.19	-65.06
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1F	REAL300007653688	0	40	-1.0	-57.35	347.29	1.35	-56.00
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CCC1	REAL300007653689	0	44	-1.0	-60.83	360.86	4.12	-56.71
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CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300007653691	0	38	-1.0	-66.90	329.29	2.10	-64.80
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COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Cl	REAL300007653717	0	36	-1.0	-43.96	311.52	3.96	-40.00
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CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Cl	REAL300007653719	0	33	-1.0	-52.20	302.31	5.15	-47.05
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COC1=CC=C2C=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)CCC2=C1	REAL300007653743	0	41	-1.0	-57.11	332.60	5.41	-51.70
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CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C12	REAL300007653748	0	48	-1.0	-46.79	387.79	3.87	-42.92
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1[N+](=O)[O-]	REAL300007653749	0	37	-1.0	-50.96	309.96	5.54	-45.42
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CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653754	0	34	-1.0	-45.79	293.45	4.72	-41.07
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCC1	REAL300007653755	0	31	-1.0	-59.43	266.44	5.17	-54.26
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653756	0	36	-1.0	-43.73	318.37	4.51	-39.22
CC1=CC(C)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1C	REAL300007653757	0	41	-1.0	-55.67	308.40	6.24	-49.43
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653758	0	44	-1.0	-45.62	341.42	6.36	-39.26
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CCC1	REAL300007653759	0	32	-1.0	-58.48	286.21	4.70	-53.78
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)CCC1	REAL300007653760	0	32	-1.0	-56.49	271.40	5.19	-51.30
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1[N+](=O)[O-]	REAL300007653761	0	35	-1.0	-65.24	302.62	4.43	-60.81
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653762	0	41	-1.0	-56.61	323.61	5.97	-50.64
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653763	0	46	-1.0	-57.22	383.72	3.40	-53.82
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653764	0	40	-1.0	-57.66	342.57	1.69	-55.97
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1Br	REAL300007653765	0	33	-1.0	-52.79	297.01	3.65	-49.14
O=C([O-])C1(NS(=O)(=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)CCC1	REAL300007653766	0	35	-1.0	-36.50	324.11	5.19	-31.31
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1Br	REAL300007653767	0	32	-1.0	-53.11	286.62	4.87	-48.24
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C2)=C1	REAL300007653768	0	43	-1.0	-54.40	357.82	7.23	-47.17
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CCC1	REAL300007653769	0	33	-1.0	-53.57	293.10	3.47	-50.10
CC1=C(C)C(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C)=C1C	REAL300007653770	0	44	-1.0	-56.35	322.70	6.73	-49.62
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)CCC1	REAL300007653771	0	38	-1.0	-54.33	309.93	3.62	-50.71
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653772	0	45	-1.0	-63.01	354.09	5.83	-57.18
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C21	REAL300007653773	0	36	-1.0	-59.30	322.52	6.07	-53.23
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1[N+](=O)[O-]	REAL300007653774	0	34	-1.0	-51.31	291.48	4.89	-46.42
COC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653775	0	33	-1.0	-53.27	280.32	4.50	-48.77
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653776	0	47	-1.0	-55.55	354.36	7.67	-47.88
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COC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300007653779	0	37	-1.0	-57.03	288.49	3.16	-53.87
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1OC	REAL300007653780	0	37	-1.0	-55.44	305.84	2.89	-52.55
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)CCC1	REAL300007653781	0	37	-1.0	-57.59	303.20	6.11	-51.48
CC(C)CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653782	0	44	-1.0	-56.30	350.64	7.19	-49.11
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1OCC	REAL300007653783	0	43	-1.0	-54.87	349.40	4.73	-50.14
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653784	0	34	-1.0	-59.31	301.20	-1.36	-60.67
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC([N+](=O)[O-])=C1C	REAL300007653785	0	37	-1.0	-51.46	311.85	5.55	-45.91
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1C	REAL300007653786	0	37	-1.0	-64.84	309.14	5.68	-59.16
CC1=CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=C2N=C1	REAL300007653787	0	37	-1.0	-64.01	292.20	5.58	-58.43
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C([N+](=O)[O-])=C1	REAL300007653788	0	35	-1.0	-43.96	294.15	3.78	-40.18
COC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653789	0	33	-1.0	-56.19	294.65	4.03	-52.16
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300007653790	0	34	-1.0	-58.48	301.35	-1.36	-59.84
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CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653792	0	37	-1.0	-56.62	306.86	5.27	-51.35
O=C([O-])C1(NS(=O)(=O)N2CCC3=CC=CC=C3C2)CCC1	REAL300007653793	0	38	-1.0	-53.11	300.96	4.88	-48.23
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C2=CC=CN=C12	REAL300007653794	0	37	-1.0	-47.54	306.17	4.36	-43.18
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C	REAL300007653795	0	37	-1.0	-58.54	304.92	6.38	-52.16
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300007653796	0	40	-1.0	-64.30	338.64	1.61	-62.69
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CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C2)=CO1	REAL300007653905	0	38	-1.0	-57.59	323.49	2.74	-54.85
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C(F)(F)F)=N1	REAL300007653906	0	32	-1.0	-42.51	289.82	1.99	-40.52
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCCC3=C2)CCC1	REAL300007653907	0	37	-1.0	-56.36	300.82	4.32	-52.04
CC1=CC=C(N2C=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=N2)C=C1	REAL300007653908	0	39	-1.0	-47.79	328.47	4.87	-42.92
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=CC(Cl)=C2O1	REAL300007653909	0	37	-1.0	-57.09	320.75	4.81	-52.28
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1[N+](=O)[O-]	REAL300007653910	0	34	-1.0	-50.69	291.69	4.88	-45.81
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=N1	REAL300007653911	0	40	-1.0	-50.46	334.27	3.82	-46.64
O=C([O-])C1(NS(=O)(=O)C2=CN=C3C=CSC3=C2)CCC1	REAL300007653912	0	31	-1.0	-45.71	278.29	2.57	-43.14
CC1=CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C2C=C1	REAL300007653913	0	38	-1.0	-58.02	314.29	6.62	-51.40
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=CC=CC=C32)CCC1	REAL300007653914	0	34	-1.0	-58.25	294.77	3.89	-54.36
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C(Cl)C=C2)CCC1	REAL300007653915	0	35	-1.0	-40.63	308.72	5.24	-35.39
CN1CCCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C21	REAL300007653916	0	41	-1.0	-59.28	321.08	4.22	-55.06
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CCC1	REAL300007653917	0	31	-1.0	-38.10	281.81	2.44	-35.66
COC1=CC=CC(OC)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653918	0	37	-1.0	-63.58	299.63	4.03	-59.55
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300007653919	0	37	-1.0	-51.13	307.59	5.62	-45.51
CC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1[N+](=O)[O-]	REAL300007653920	0	37	-1.0	-57.15	303.88	6.46	-50.69
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1[N+](=O)[O-]	REAL300007653921	0	37	-1.0	-44.47	305.04	5.04	-39.43
COC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653922	0	39	-1.0	-58.14	322.42	4.64	-53.50
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)S1	REAL300007653923	0	38	-1.0	-43.17	319.53	4.89	-38.28
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC(OC)=C1	REAL300007653924	0	37	-1.0	-46.29	305.28	1.78	-44.51
CC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1)OCO2	REAL300007653925	0	35	-1.0	-45.35	287.15	2.50	-42.85
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1Cl	REAL300007653926	0	33	-1.0	-52.29	292.49	3.54	-48.75
CN1C=NC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=CC=C21	REAL300007653927	0	35	-1.0	-67.69	295.40	5.03	-62.66
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C2=NC=CC=C2C=C1	REAL300007653928	0	37	-1.0	-62.40	294.01	5.05	-57.35
CC1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C2O1	REAL300007653929	0	34	-1.0	-57.81	290.63	1.34	-56.47
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1CC	REAL300007653930	0	41	-1.0	-58.04	324.20	6.26	-51.78
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653931	0	37	-1.0	-48.70	301.95	5.88	-42.82
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653932	0	39	-1.0	-61.44	311.75	5.30	-56.14
NC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653933	0	30	-1.0	-53.57	271.67	1.52	-52.05
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CCC1	REAL300007653934	0	35	-1.0	-44.81	298.14	5.00	-39.81
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC(C)=C1F	REAL300007653935	0	35	-1.0	-40.24	293.61	4.54	-35.70
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CCC1	REAL300007653936	0	36	-1.0	-57.49	302.96	3.44	-54.05
O=C([O-])C1(NS(=O)(=O)CCCOCC2=CC=CC=C2)CCC1	REAL300007653937	0	42	-1.0	-59.88	348.44	5.39	-54.49
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=CC(F)=C23)CCC1	REAL300007653938	0	33	-1.0	-59.94	288.08	3.80	-56.14
O=C([O-])C1(NS(=O)(=O)C2=C3N=CSC3=CC=C2)CCC1	REAL300007653939	0	31	-1.0	-60.67	280.78	3.07	-57.60
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C=C2)CCC1	REAL300007653940	0	32	-1.0	-40.26	287.23	4.46	-35.80
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC=C1Cl	REAL300007653941	0	32	-1.0	-53.14	282.58	4.78	-48.36
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CCC1	REAL300007653942	0	35	-1.0	-59.55	295.22	4.68	-54.87
CC1=CSC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C2)=N1	REAL300007653943	0	38	-1.0	-57.63	333.33	5.16	-52.47
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCC3)CCC1	REAL300007653944	0	37	-1.0	-47.66	301.56	4.48	-43.18
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CCC1	REAL300007653945	0	36	-1.0	-49.14	311.40	1.02	-48.12
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)CCC1	REAL300007653946	0	38	-1.0	-54.55	291.96	4.22	-50.33
O=C([O-])C1(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)CCC1	REAL300007653947	0	32	-1.0	-57.29	292.22	5.01	-52.28
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653948	0	54	-1.0	-54.57	427.51	8.62	-45.95
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653949	0	39	-1.0	-43.42	339.88	5.31	-38.11
CCC(C)OC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C1	REAL300007653950	0	42	-1.0	-62.28	339.06	5.44	-56.84
COC(CS(=O)(=O)NC1(C(=O)[O-])CCC1)C1CCCC1	REAL300007653951	0	42	-1.0	-57.36	325.15	4.53	-52.83
COC(CS(=O)(=O)NC1(C(=O)[O-])CCC1)C1CCCCC1	REAL300007653952	0	45	-1.0	-56.71	342.32	4.92	-51.79
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)CCC1	REAL300007653953	0	43	-1.0	-59.85	364.44	7.04	-52.81
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C(C)C	REAL300007653954	0	48	-1.0	-54.79	378.61	6.73	-48.06
CCC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CN1CC1CC1	REAL300007653955	0	42	-1.0	-47.97	341.75	4.87	-43.10
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3CC3)S2)CCC1	REAL300007653956	0	32	-1.0	-42.67	286.67	2.76	-39.91
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C)=C1[N+](=O)[O-]	REAL300007653957	0	37	-1.0	-52.07	312.35	6.01	-46.06
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CCC1	REAL300007653958	0	42	-1.0	-52.35	349.60	5.91	-46.44
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653959	0	32	-1.0	-43.69	290.33	1.60	-42.09
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)CCC1	REAL300007653960	0	40	-1.0	-54.81	348.12	7.80	-47.01
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CCC1	REAL300007653961	0	39	-1.0	-50.43	315.53	6.51	-43.92
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=CC(C)=C1OCC1=CC=CC=C1	REAL300007653962	0	49	-1.0	-56.14	400.17	8.48	-47.66
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCC2)=C(C)C=C1OC	REAL300007653963	0	42	-1.0	-60.05	334.78	5.23	-54.82
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)CCC1	REAL300007653964	0	35	-1.0	-52.02	318.39	5.56	-46.46
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CCC2)=N1	REAL300007653965	1	31	-1.0	-50.80	276.40	2.67	-48.13
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C2=CC=CC=C2C=C1	REAL300007653966	0	38	-1.0	-61.03	297.24	6.59	-54.44
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=N1	REAL300007653967	0	38	-1.0	-52.14	316.30	2.24	-49.90
COC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653968	0	33	-1.0	-51.77	260.00	4.00	-47.77
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C(C)C	REAL300007653969	0	45	-1.0	-55.16	357.11	5.93	-49.23
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1F	REAL300007653970	0	41	-1.0	-57.86	325.35	5.94	-51.92
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)CCC1	REAL300007653971	0	48	-1.0	-43.28	372.36	7.75	-35.53
CN1N=C2CCCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653972	0	39	-1.0	-45.38	307.22	3.23	-42.15
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C(C(C)(C)C)=N1	REAL300007653973	0	41	-1.0	-50.37	322.58	3.29	-47.08
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCC3)N=C2)CCC1	REAL300007653974	0	39	-1.0	-43.32	314.01	3.42	-39.90
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653975	0	32	-1.0	-41.94	277.49	2.11	-39.83
COC1=CC=C(F)C=C1CS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653976	0	36	-1.0	-59.87	305.99	3.98	-55.89
C=CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1	REAL300007653977	0	39	-1.0	-56.22	324.38	6.47	-49.75
CCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C(C)C	REAL300007653978	0	51	-1.0	-54.57	400.06	7.51	-47.06
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)CCC1	REAL300007653979	0	33	-1.0	-43.33	297.59	5.00	-38.33
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C(C)(C)C	REAL300007653980	0	51	-1.0	-55.01	391.12	7.40	-47.61
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1CC	REAL300007653981	0	45	-1.0	-54.81	361.50	6.20	-48.61
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653982	0	35	-1.0	-51.99	294.84	5.87	-46.12
CC1=CC(Br)=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653983	0	35	-1.0	-39.71	305.68	5.20	-34.51
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC=C2Cl)CCC1	REAL300007653984	0	33	-1.0	-56.78	294.76	5.43	-51.35
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653985	0	45	-1.0	-45.22	362.83	5.77	-39.45
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)CCC1	REAL300007653986	0	34	-1.0	-45.69	286.07	3.62	-42.07
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=C2)C=C1	REAL300007653987	0	44	-1.0	-56.79	377.26	7.54	-49.25
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CC2CCC2)CCC1	REAL300007653988	0	39	-1.0	-43.33	305.01	3.87	-39.46
CC1(C)COC2=C(S(=O)(=O)NC3(C(=O)[O-])CCC3)C=NN2C1	REAL300007653989	0	40	-1.0	-44.08	307.18	1.52	-42.56
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CCC1	REAL300007653990	0	35	-1.0	-55.60	313.50	4.57	-51.03
CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C(C)C	REAL300007653991	0	54	-1.0	-54.52	421.60	8.30	-46.22
COC1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C	REAL300007653992	0	45	-1.0	-44.56	348.51	5.15	-39.41
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653993	0	39	-1.0	-61.65	324.22	5.12	-56.53
CCOCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)C=C1C(C)C	REAL300007653994	0	52	-1.0	-56.79	412.59	6.15	-50.64
CC1CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCC3)=C2O1	REAL300007653995	0	37	-1.0	-61.45	306.94	4.32	-57.13
CC(C)(C)C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCC2)S1	REAL300007653996	0	37	-1.0	-42.90	315.24	2.89	-40.01
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CCC1	REAL300007653997	0	35	-1.0	-58.12	301.82	4.11	-54.01
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1(C(=O)[O-])CCC1	REAL300007653998	0	34	-1.0	-55.32	286.85	2.47	-52.85
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)CCC1	REAL300007653999	0	33	-1.0	-54.10	304.68	4.29	-49.81
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3S2)CCC1	REAL300007654000	0	32	-1.0	-45.57	284.96	4.66	-40.91
COCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007671009	0	36	-1.0	-46.82	306.48	1.91	-44.91
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671010	0	43	-1.0	-50.04	361.91	2.13	-47.91
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1C	REAL300007671011	0	43	-1.0	-51.89	360.53	-0.76	-52.65
COCC(C)(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007671012	0	50	-1.0	-57.72	357.96	4.70	-53.02
COCC(C)(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007671013	0	40	-1.0	-52.40	333.53	3.04	-49.36
COCC(C)(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007671014	0	40	-1.0	-53.47	334.66	4.21	-49.26
COCC(C)(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007671015	0	43	-1.0	-49.11	345.60	0.65	-48.46
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671016	0	46	-1.0	-46.95	393.84	3.14	-43.81
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671017	0	46	-1.0	-63.38	388.32	3.91	-59.47
CCCN1C=NC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671018	0	38	-1.0	-51.36	317.72	3.59	-47.77
COCCOCCOCCS(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671019	0	46	-1.0	-49.41	378.37	-0.34	-49.75
COCC(C)(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007671020	0	48	-1.0	-41.30	371.39	3.66	-37.64
COCC(C)(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007671021	0	39	-1.0	-46.95	335.67	2.55	-44.40
COCC(C)(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007671022	0	40	-1.0	-48.32	326.48	-0.10	-48.42
COCC(C)(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300007671023	0	36	-1.0	-47.05	318.29	2.17	-44.88
COCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007671024	0	36	-1.0	-46.13	316.25	2.18	-43.95
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300007671025	0	38	-1.0	-46.27	323.75	2.93	-43.34
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300007671026	0	38	-1.0	-55.22	325.66	4.49	-50.73
COCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300007671027	0	38	-1.0	-60.74	325.59	4.49	-56.25
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007671028	0	38	-1.0	-45.30	322.65	3.70	-41.60
COCC(C)(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300007671029	0	41	-1.0	-60.75	324.84	4.75	-56.00
COCC(C)(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007671030	0	44	-1.0	-41.68	343.34	-0.55	-42.23
CCOC1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671031	0	39	-1.0	-57.52	320.67	2.91	-54.61
COCCN1C=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=N1	REAL300007671032	0	39	-1.0	-49.54	328.23	-0.27	-49.81
COCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007671033	0	39	-1.0	-52.87	331.28	2.76	-50.11
COCC(C)(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007671034	0	40	-1.0	-43.15	343.35	4.50	-38.65
COCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007671035	0	37	-1.0	-49.70	308.60	2.50	-47.20
COCC(C)(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007671036	0	35	-1.0	-43.22	314.93	3.66	-39.56
COCC(C)(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007671037	0	35	-1.0	-45.46	310.21	3.77	-41.69
COCC(C)(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007671038	0	39	-1.0	-62.99	332.06	0.12	-62.87
COCC(C)(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300007671039	0	35	-1.0	-46.96	310.16	3.53	-43.43
COCC(C)(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007671040	0	35	-1.0	-42.84	306.67	3.47	-39.37
COCC1=CC=CC=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671041	0	39	-1.0	-44.15	314.66	1.72	-42.43
COCC(C)(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300007671042	0	36	-1.0	-46.07	318.12	2.16	-43.91
COCC(C)(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300007671043	0	40	-1.0	-47.16	344.93	1.90	-45.26
COCC(C)(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007671044	0	35	-1.0	-52.49	312.36	1.19	-51.30
COCC(C)(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007671045	0	35	-1.0	-51.81	306.41	1.01	-50.80
COCC(C)(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007671046	0	43	-1.0	-48.43	344.97	3.50	-44.93
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007671047	0	35	-1.0	-45.51	313.60	0.95	-44.56
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671048	0	43	-1.0	-60.84	328.34	-0.11	-60.95
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300007671049	0	44	-1.0	-53.47	371.11	1.39	-52.08
COCC(C)(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007671050	0	36	-1.0	-46.00	308.27	2.86	-43.14
CCC1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671051	0	38	-1.0	-49.37	310.29	3.60	-45.77
COCC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007671052	0	40	-1.0	-50.52	347.13	-0.91	-51.43
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300007671053	0	46	-1.0	-51.22	386.52	-0.04	-51.26
COCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007671054	0	43	-1.0	-69.98	351.34	2.64	-67.34
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1F	REAL300007671055	0	43	-1.0	-49.35	368.61	0.00	-49.35
CCC1=CC=C(CS(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300007671056	0	41	-1.0	-44.32	336.10	4.64	-39.68
COCC(C)(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007671057	0	35	-1.0	-43.31	305.36	2.92	-40.39
COCC(C)(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007671058	0	47	-1.0	-49.64	381.94	2.63	-47.01
COCC(C)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007671059	0	44	-1.0	-58.87	361.89	2.66	-56.21
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671060	0	41	-1.0	-56.66	350.39	0.61	-56.05
COCC(C)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300007671061	0	42	-1.0	-48.22	360.75	-0.63	-48.85
COCC(C)(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007671062	0	41	-1.0	-45.82	332.05	4.25	-41.57
CCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1Br	REAL300007671063	0	39	-1.0	-47.93	339.97	3.08	-44.85
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007671064	0	46	-1.0	-49.87	376.37	5.25	-44.62
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007671065	0	36	-1.0	-45.24	326.55	2.63	-42.61
COCC(C)(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300007671066	0	39	-1.0	-47.07	337.73	2.83	-44.24
COCC(C)(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300007671067	0	41	-1.0	-56.15	314.75	1.23	-54.92
COCC(C)(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007671068	0	46	-1.0	-48.12	380.46	4.20	-43.92
COCC(C)(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300007671069	0	39	-1.0	-46.58	341.53	2.80	-43.78
COCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007671070	0	44	-1.0	-50.06	358.12	3.77	-46.29
CCS(=O)(=O)NCCS(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671071	0	39	-1.0	-48.19	333.73	-2.93	-51.12
COCC(C)(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007671072	0	38	-1.0	-46.70	325.69	3.81	-42.89
COCC(C)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007671073	0	35	-1.0	-47.08	324.19	4.24	-42.84
COCC(C)(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007671074	0	38	-1.0	-48.77	333.16	4.98	-43.79
COCC(C)(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007671075	0	35	-1.0	-43.96	328.20	3.68	-40.28
COCC(C)(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007671076	0	38	-1.0	-46.31	330.38	4.57	-41.74
COCC(C)(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007671077	0	38	-1.0	-50.50	328.41	3.96	-46.54
COCC(C)(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007671078	0	43	-1.0	-45.68	351.02	3.66	-42.02
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007671079	0	46	-1.0	-46.61	387.60	5.47	-41.14
COCC(C)(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007671080	0	45	-1.0	-54.29	374.80	3.73	-50.56
COCC(C)(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007671081	0	43	-1.0	-46.78	369.89	-0.61	-47.39
COCC(C)(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300007671082	0	41	-1.0	-47.54	339.57	5.13	-42.41
COCC(C)(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300007671083	0	43	-1.0	-48.75	342.00	2.82	-45.93
COCC(C)(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007671084	0	38	-1.0	-44.84	331.33	4.28	-40.56
COCC(C)(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007671085	0	37	-1.0	-51.46	311.42	-1.26	-52.72
COCC(C)(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007671086	0	45	-1.0	-45.21	354.62	2.79	-42.42
COCC(C)(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300007671087	0	39	-1.0	-60.67	332.06	3.32	-57.35
COCC(C)(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007671088	0	41	-1.0	-52.04	354.32	0.56	-51.48
COCC(C)(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300007671089	0	36	-1.0	-47.82	323.42	3.66	-44.16
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671090	0	44	-1.0	-55.02	345.96	2.96	-52.06
COCC(C)(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007671091	0	40	-1.0	-47.39	338.62	0.72	-46.67
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C12	REAL300007671092	0	39	-1.0	-46.26	328.64	-0.11	-46.37
COCC(C)(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007671093	0	43	-1.0	-46.18	363.89	2.01	-44.17
COCC(C)(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007671094	0	37	-1.0	-48.89	311.79	1.37	-47.52
CCC1=CC(CC)=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C(CC)=C1	REAL300007671095	0	50	-1.0	-55.70	371.61	7.31	-48.39
COCC(C)(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007671096	0	39	-1.0	-52.75	316.17	2.83	-49.92
COCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007671097	0	38	-1.0	-46.48	336.08	0.33	-46.15
COCC(C)(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007671098	0	41	-1.0	-70.60	337.29	6.51	-64.09
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300007671099	0	39	-1.0	-45.14	322.87	1.92	-43.22
COCC(C)(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007671100	0	44	-1.0	-42.84	319.69	3.84	-39.00
COCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007671101	0	41	-1.0	-44.92	327.59	2.92	-42.00
COCC(C)(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007671103	0	40	-1.0	-47.32	336.98	3.43	-43.89
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671104	0	39	-1.0	-47.30	339.31	2.48	-44.82
COCC(C)(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300007671105	0	38	-1.0	-47.11	320.15	3.91	-43.20
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007671107	0	32	-1.0	-45.23	301.16	2.49	-42.74
COCC(C)(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007671108	0	45	-1.0	-43.39	358.40	5.77	-37.62
COCC(C)(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007671109	0	43	-1.0	-45.34	351.57	3.19	-42.15
COCC(C)(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007671110	0	41	-1.0	-49.51	331.84	-0.53	-50.04
COCC(C)(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007671111	0	35	-1.0	-45.30	306.76	3.03	-42.27
COCC(C)(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007671112	0	37	-1.0	-44.17	318.65	1.55	-42.62
COCC(C)(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007671113	0	42	-1.0	-43.26	314.46	3.80	-39.46
COCC(C)(NS(=O)(=O)CC1CC(F)(F)C1)C(=O)[O-]	REAL300007671114	0	35	-1.0	-39.09	294.73	2.44	-36.65
COCC(C)(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300007671115	0	44	-1.0	-48.50	353.76	3.94	-44.56
COCC(C)(NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007671116	0	45	-1.0	-43.30	327.27	4.34	-38.96
COCC(C)(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007671117	0	43	-1.0	-55.79	343.13	-0.55	-56.34
COCC(C)(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007671118	0	41	-1.0	-45.28	319.46	3.72	-41.56
COCC(C)(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300007671119	0	39	-1.0	-48.84	319.74	4.32	-44.52
CCC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007671120	0	40	-1.0	-49.52	330.59	4.12	-45.40
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007671121	0	32	-1.0	-46.62	283.65	2.74	-43.88
COCC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007671122	0	32	-1.0	-46.43	288.22	2.85	-43.58
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007671123	0	34	-1.0	-45.45	295.60	2.84	-42.61
COCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007671124	0	38	-1.0	-50.04	313.30	4.52	-45.52
COCC(C)(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007671125	0	34	-1.0	-50.58	296.43	2.86	-47.72
COCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300007671126	0	37	-1.0	-44.94	316.13	3.20	-41.74
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007671127	0	36	-1.0	-48.59	297.69	1.48	-47.11
COCC(C)(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007671128	0	34	-1.0	-61.36	287.35	3.99	-57.37
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671129	0	39	-1.0	-45.63	343.23	3.38	-42.25
CCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300007671130	0	39	-1.0	-48.36	318.73	2.40	-45.96
COCC(C)(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300007671131	0	44	-1.0	-45.14	330.47	4.32	-40.82
COCC(C)(NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300007671132	0	41	-1.0	-46.88	319.03	4.67	-42.21
COCC(C)(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300007671133	0	47	-1.0	-45.80	364.12	4.86	-40.94
COCC(C)(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007671134	0	35	-1.0	-47.96	306.46	3.24	-44.72
COCC(C)(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007671135	0	35	-1.0	-43.03	293.61	3.41	-39.62
COCC(C)(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007671136	0	32	-1.0	-47.93	284.96	2.71	-45.22
COCC(C)(NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300007671137	0	37	-1.0	-50.75	308.66	2.59	-48.16
COCC(C)(NS(=O)(=O)C1=CC(C)=CC=C1C)C(=O)[O-]	REAL300007671138	0	38	-1.0	-45.14	309.34	3.20	-41.94
COCC(C)(NS(=O)(=O)C1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007671139	0	38	-1.0	-49.34	306.65	3.39	-45.95
COCC(C)(NS(=O)(=O)C1=CC=C(C)C=C1C)C(=O)[O-]	REAL300007671140	0	38	-1.0	-59.85	308.00	4.14	-55.71
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007671141	0	38	-1.0	-50.99	323.72	2.93	-48.06
COCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007671142	0	44	-1.0	-48.35	343.65	4.49	-43.86
COCC(C)(NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300007671143	0	41	-1.0	-48.52	327.67	4.10	-44.42
COCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007671144	0	43	-1.0	-51.22	362.95	0.17	-51.05
CCCC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300007671145	0	41	-1.0	-48.67	331.83	4.40	-44.27
COCC(C)(NS(=O)(=O)C1=CC=CC=C1OC)C(=O)[O-]	REAL300007671146	0	36	-1.0	-47.33	302.05	1.62	-45.71
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300007671147	0	36	-1.0	-48.34	318.13	2.16	-46.18
COCC(C)(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300007671148	0	35	-1.0	-46.08	306.88	3.35	-42.73
COCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300007671149	0	46	-1.0	-47.81	379.48	5.88	-41.93
COCC(C)(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007671150	0	36	-1.0	-45.53	314.21	1.98	-43.55
COCC(C)(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300007671151	0	47	-1.0	-59.04	344.77	5.69	-53.35
COCC(C)(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007671152	0	41	-1.0	-48.88	330.24	2.18	-46.70
COCC(C)(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300007671153	0	48	-1.0	-48.38	376.31	4.18	-44.20
COCC(C)(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007671154	0	37	-1.0	-49.70	312.51	3.49	-46.21
COCC(C)(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300007671155	0	36	-1.0	-45.49	321.36	2.47	-43.02
COCC(C)(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300007671156	0	50	-1.0	-46.10	374.00	6.18	-39.92
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007671157	0	35	-1.0	-54.09	308.06	3.69	-50.40
COCC(C)(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007671158	0	42	-1.0	-49.11	330.10	4.66	-44.45
COCC(C)(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300007671159	0	40	-1.0	-50.53	329.55	1.15	-49.38
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300007671160	0	40	-1.0	-49.47	326.93	1.39	-48.08
COCC(C)(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300007671161	0	39	-1.0	-49.19	312.99	4.15	-45.04
COCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007671162	0	40	-1.0	-47.68	324.25	4.64	-43.04
COCC(C)(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007671163	0	37	-1.0	-48.92	303.37	2.10	-46.82
COCC(C)(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300007671164	0	47	-1.0	-48.63	370.89	5.69	-42.94
CCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1OCC	REAL300007671165	0	46	-1.0	-58.87	371.80	3.74	-55.13
COCC(C)(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007671166	0	37	-1.0	-52.80	321.67	-2.87	-55.67
COCC(C)(NS(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007671167	0	40	-1.0	-49.18	331.51	4.16	-45.02
COCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300007671168	0	40	-1.0	-46.49	334.45	3.80	-42.69
COCC(C)(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300007671169	0	40	-1.0	-52.20	334.74	3.07	-49.13
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007671170	0	38	-1.0	-57.23	316.78	3.30	-53.93
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300007671171	0	36	-1.0	-43.52	316.19	2.55	-40.97
COCC(C)(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007671172	0	37	-1.0	-55.55	322.41	-2.85	-58.40
COCC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007671173	0	44	-1.0	-59.65	378.45	0.53	-59.12
COCC(C)(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007671174	0	40	-1.0	-44.07	331.83	4.56	-39.51
COCC(C)(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007671175	0	41	-1.0	-57.25	323.25	3.86	-53.39
COCC(C)(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300007671176	0	40	-1.0	-48.33	328.74	2.97	-45.36
COCC(C)(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007671177	0	40	-1.0	-60.87	327.31	5.33	-55.54
COCC(C)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007671178	0	43	-1.0	-59.20	365.02	0.68	-58.52
COCC(C)(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007671179	0	44	-1.0	-57.38	354.48	1.55	-55.83
COCC(C)(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007671180	0	38	-1.0	-62.60	330.12	0.20	-62.40
COCC(C)(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007671181	0	42	-1.0	-64.54	341.00	6.38	-58.16
COCC(C)(NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300007671182	0	43	-1.0	-58.53	316.77	3.09	-55.44
COCC(C)(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007671183	0	38	-1.0	-47.81	313.64	4.05	-43.76
COCC(C)(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007671184	0	42	-1.0	-49.45	341.56	5.59	-43.86
COCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300007671185	0	35	-1.0	-43.83	294.24	2.60	-41.23
COCC(C)(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007671186	0	46	-1.0	-47.59	367.07	3.92	-43.67
COCC(C)(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007671187	0	33	-1.0	-47.20	298.39	0.04	-47.16
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007671188	0	36	-1.0	-45.69	316.80	2.36	-43.33
COCC(C)(NS(=O)(=O)C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300007671189	0	36	-1.0	-57.87	298.89	1.98	-55.89
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300007671190	0	47	-1.0	-48.25	357.87	4.97	-43.28
COCC(C)(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300007671191	0	35	-1.0	-47.42	303.68	3.30	-44.12
COCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300007671192	0	42	-1.0	-48.48	337.58	3.13	-45.35
CCC1=CC=CC=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671193	0	38	-1.0	-59.83	302.11	4.45	-55.38
COCC(C)(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007671194	0	35	-1.0	-43.29	310.36	3.56	-39.73
COCC(C)(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007671195	0	33	-1.0	-44.12	288.41	0.34	-43.78
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007671196	0	37	-1.0	-53.92	327.08	5.12	-48.80
COCC(C)(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007671197	0	37	-1.0	-55.27	314.18	2.50	-52.77
COCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007671198	0	43	-1.0	-48.69	372.14	5.66	-43.03
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300007671199	0	38	-1.0	-42.07	327.67	2.70	-39.37
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300007671200	0	36	-1.0	-48.82	303.93	1.55	-47.27
COCC(C)(NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300007671201	0	35	-1.0	-47.70	294.93	2.90	-44.80
COCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007671202	0	43	-1.0	-46.72	374.77	5.72	-41.00
COCC(C)(NS(=O)(=O)CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300007671203	0	38	-1.0	-44.63	314.62	3.87	-40.76
COCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300007671204	0	47	-1.0	-48.02	389.48	4.45	-43.57
COCC(C)(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300007671205	0	59	-1.0	-59.17	420.71	8.02	-51.15
COCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300007671206	0	48	-1.0	-49.63	379.75	4.97	-44.66
COCC(C)(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007671207	0	35	-1.0	-40.45	325.55	4.01	-36.44
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300007671208	0	42	-1.0	-49.52	340.99	3.46	-46.06
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007671209	0	37	-1.0	-40.50	315.72	3.17	-37.33
COCC(C)(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007671210	0	37	-1.0	-43.56	307.51	3.00	-40.56
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671211	0	40	-1.0	-65.10	330.43	5.13	-59.97
COCC(C)(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300007671212	0	44	-1.0	-48.63	348.53	4.85	-43.78
COCCC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300007671213	0	42	-1.0	-49.08	344.01	2.69	-46.39
COCCN(CCOC)S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671214	0	44	-1.0	-57.07	342.69	0.57	-56.50
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007671215	0	35	-1.0	-42.95	304.64	3.05	-39.90
COCC(C)(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300007671216	0	42	-1.0	-48.28	340.83	3.22	-45.06
COCC(C)(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300007671217	0	48	-1.0	-48.12	378.83	4.55	-43.57
COCC(C)(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007671218	0	46	-1.0	-47.80	362.06	4.55	-43.25
COCC(C)(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300007671219	0	45	-1.0	-48.28	359.87	3.94	-44.34
CCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300007671220	0	42	-1.0	-48.36	339.76	3.25	-45.11
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300007671221	0	36	-1.0	-48.32	313.74	2.05	-46.27
COCC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007671222	0	36	-1.0	-47.93	323.48	2.32	-45.61
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300007671223	0	39	-1.0	-48.68	317.78	2.23	-46.45
COCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300007671224	0	45	-1.0	-48.09	357.50	3.88	-44.21
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300007671225	0	39	-1.0	-45.31	317.29	1.83	-43.48
COCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300007671226	0	43	-1.0	-50.33	352.36	1.67	-48.66
COCC(C)(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300007671227	0	35	-1.0	-47.44	298.73	3.23	-44.21
COCC(C)(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007671228	0	35	-1.0	-41.40	308.78	3.12	-38.28
COCC(C)(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300007671229	0	40	-1.0	-59.19	317.38	5.21	-53.98
COCC(C)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300007671230	0	41	-1.0	-46.00	348.60	0.06	-45.94
COCC(C)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007671231	0	44	-1.0	-59.21	378.35	0.54	-58.67
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300007671232	0	40	-1.0	-51.88	343.98	-1.66	-53.54
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671233	0	40	-1.0	-58.23	329.45	1.05	-57.18
COCC(C)(NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300007671234	0	34	-1.0	-45.45	294.63	0.65	-44.80
COCC(C)(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007671235	0	35	-1.0	-47.27	309.75	3.22	-44.05
COCC(C)(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300007671236	0	36	-1.0	-46.51	303.94	1.56	-44.95
COCC(C)(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007671237	0	42	-1.0	-47.67	341.95	5.63	-42.04
COCC(C)(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007671238	0	35	-1.0	-39.59	326.69	4.21	-35.38
COCC(C)(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300007671239	0	38	-1.0	-48.87	348.08	2.85	-46.02
COCC(C)(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007671240	0	52	-1.0	-47.86	401.96	5.78	-42.08
COCC(C)(NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300007671241	0	40	-1.0	-52.55	334.71	3.07	-49.48
CNC(=O)C1=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=CN1C	REAL300007671242	0	40	-1.0	-50.75	334.25	-0.14	-50.89
COCC(C)(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300007671243	0	42	-1.0	-46.63	327.15	3.15	-43.48
COCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007671244	0	43	-1.0	-49.80	351.66	6.37	-43.43
COCC(C)(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300007671245	0	42	-1.0	-46.11	337.20	2.56	-43.55
COCC(C)(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300007671246	0	40	-1.0	-57.16	319.93	3.77	-53.39
COCC(C)(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007671247	0	37	-1.0	-47.10	308.95	2.28	-44.82
COCC(C)(NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007671248	0	45	-1.0	-52.23	367.21	6.01	-46.22
CCN1C=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007671249	0	37	-1.0	-55.56	321.27	3.41	-52.15
COCC(C)(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007671250	0	39	-1.0	-49.92	338.30	2.86	-47.06
COCC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007671251	0	46	-1.0	-49.42	378.64	5.44	-43.98
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671252	0	40	-1.0	-62.11	332.45	3.95	-58.16
COCC(C)(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007671253	0	42	-1.0	-50.48	354.37	3.70	-46.78
COCC(C)(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300007671254	0	35	-1.0	-61.08	298.41	1.35	-59.73
COCC(C)(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300007671255	0	54	-1.0	-57.82	403.00	5.95	-51.87
COCC(C)(NS(=O)(=O)CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300007671256	0	38	-1.0	-45.33	315.04	3.71	-41.62
COCC(C)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007671257	0	40	-1.0	-55.31	344.72	-1.20	-56.51
COCC(C)(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300007671258	0	35	-1.0	-43.65	300.05	3.11	-40.54
COCC(C)(NS(=O)(=O)CC1=CC=CC=C1C)C(=O)[O-]	REAL300007671259	0	38	-1.0	-44.74	309.17	3.77	-40.97
CCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C2=CC=CC=C12	REAL300007671260	0	45	-1.0	-48.99	363.87	4.33	-44.66
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671261	0	42	-1.0	-47.99	343.35	3.42	-44.57
COCC(C)(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007671262	0	37	-1.0	-60.05	315.72	2.43	-57.62
COCC(C)(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007671263	0	39	-1.0	-50.17	329.02	3.23	-46.94
CCOCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300007671264	0	46	-1.0	-50.97	373.74	2.68	-48.29
CCCCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300007671265	0	48	-1.0	-48.20	382.76	4.81	-43.39
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007671266	0	42	-1.0	-59.85	325.78	5.40	-54.45
COCC(C)(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007671267	0	38	-1.0	-47.46	318.45	4.26	-43.20
COCC(C)(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007671268	0	36	-1.0	-45.90	324.58	3.65	-42.25
COCC(C)(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300007671269	0	37	-1.0	-48.43	303.37	1.54	-46.89
COCC(C)(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007671270	0	40	-1.0	-55.14	333.52	3.60	-51.54
COCC(C)(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300007671271	0	38	-1.0	-42.62	311.60	-1.97	-44.59
COCC(C)(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007671272	0	37	-1.0	-53.05	315.36	2.48	-50.57
CCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C(C)=C1	REAL300007671273	0	42	-1.0	-45.31	339.14	2.75	-42.56
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671274	0	40	-1.0	-53.98	344.03	-1.60	-55.58
COCC(C)(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007671275	0	36	-1.0	-47.08	309.17	2.33	-44.75
COCC(C)(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300007671276	0	36	-1.0	-48.03	308.39	3.21	-44.82
COCC(C)(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007671277	0	38	-1.0	-43.32	332.69	4.06	-39.26
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671278	0	43	-1.0	-41.31	333.97	4.46	-36.85
CCN1C=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])N=C1C	REAL300007671279	0	38	-1.0	-54.96	313.82	1.86	-53.10
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007671280	0	38	-1.0	-48.33	315.53	1.52	-46.81
COCC(C)(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007671281	0	37	-1.0	-47.54	308.77	2.17	-45.37
COCC(C)(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007671282	0	44	-1.0	-49.46	363.53	4.23	-45.23
COCC(C)(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300007671283	0	38	-1.0	-47.51	322.65	3.71	-43.80
COCC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007671284	0	38	-1.0	-56.15	344.41	3.78	-52.37
COCC(C)(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007671285	0	41	-1.0	-49.87	332.23	3.84	-46.03
COCC(C)(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300007671286	0	40	-1.0	-54.47	335.81	2.41	-52.06
COCC(C)(NS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007671287	0	39	-1.0	-47.14	338.53	2.93	-44.21
COCC1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671288	0	39	-1.0	-50.38	322.46	1.89	-48.49
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007671289	0	43	-1.0	-50.47	351.42	3.08	-47.39
COCC(C)(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007671290	0	35	-1.0	-45.74	307.00	3.65	-42.09
COCC(C)(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007671291	0	44	-1.0	-61.45	364.03	0.68	-60.77
COCC(C)(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007671292	0	39	-1.0	-40.36	339.21	2.99	-37.37
COCC(C)(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007671293	0	40	-1.0	-58.80	331.79	3.16	-55.64
COCC(C)(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007671294	0	35	-1.0	-47.49	319.75	3.92	-43.57
COCC(C)(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007671295	0	40	-1.0	-48.62	324.45	2.85	-45.77
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671296	0	44	-1.0	-55.94	329.39	5.97	-49.97
COCC(C)(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300007671297	0	44	-1.0	-62.07	360.04	1.55	-60.52
COCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007671298	0	43	-1.0	-48.28	374.65	5.71	-42.57
COCC(C)(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007671299	0	38	-1.0	-57.57	338.06	3.70	-53.87
COCC(C)(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007671300	0	38	-1.0	-55.82	354.73	4.23	-51.59
COCC(C)(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300007671301	0	41	-1.0	-52.56	343.48	1.38	-51.18
COCC(C)(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007671302	0	35	-1.0	-45.09	308.07	0.81	-44.28
COCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007671303	0	35	-1.0	-47.96	300.36	2.96	-45.00
COCC(C)(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007671304	0	35	-1.0	-48.43	293.42	0.84	-47.59
COCC(C)(NS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300007671305	0	35	-1.0	-46.64	294.68	-1.15	-47.79
COCC(C)(NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300007671306	0	36	-1.0	-61.12	298.29	1.89	-59.23
COCC(C)(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007671307	0	40	-1.0	-57.84	323.19	3.32	-54.52
COCC(C)(NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007671308	0	39	-1.0	-45.33	314.04	3.61	-41.72
COCC(C)(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300007671309	0	42	-1.0	-49.72	350.36	3.93	-45.79
COCC(C)(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007671310	0	40	-1.0	-58.41	343.23	3.80	-54.61
COCC(C)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300007671311	0	37	-1.0	-44.92	312.50	3.48	-41.44
COCC(C)(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300007671312	0	43	-1.0	-53.26	356.20	2.88	-50.38
COCC(C)(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007671313	0	34	-1.0	-48.15	299.49	1.64	-46.51
COCC(C)(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007671314	0	40	-1.0	-50.55	319.93	2.60	-47.95
COCC(C)(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300007671315	0	41	-1.0	-49.79	334.69	5.18	-44.61
COCC(C)(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300007671316	0	33	-1.0	-54.06	289.20	1.23	-52.83
COCC(C)(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007671317	0	40	-1.0	-59.11	321.92	3.10	-56.01
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300007671318	0	37	-1.0	-49.27	309.82	1.65	-47.62
COCC(C)(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007671319	0	37	-1.0	-47.45	316.78	2.53	-44.92
COCC(C)(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300007671320	0	37	-1.0	-50.84	303.18	2.03	-48.81
COCC(C)(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007671321	0	38	-1.0	-42.04	331.87	4.35	-37.69
COCC(C)(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007671322	0	44	-1.0	-49.45	340.56	2.78	-46.67
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007671323	0	34	-1.0	-45.54	302.16	1.39	-44.15
COCC(C)(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300007671324	0	40	-1.0	-54.95	324.80	2.58	-52.37
COCC(C)(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007671325	0	40	-1.0	-42.48	333.63	3.81	-38.67
COCC(C)(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300007671326	0	40	-1.0	-59.77	328.37	5.31	-54.46
COCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300007671327	0	40	-1.0	-65.98	330.53	4.66	-61.32
COCC(C)(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007671328	0	42	-1.0	-44.57	344.64	3.13	-41.44
COCC(C)(NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300007671329	0	35	-1.0	-47.95	292.01	-0.37	-48.32
COCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007671330	0	41	-1.0	-48.52	341.65	3.96	-44.56
COCC(C)(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300007671331	0	39	-1.0	-48.51	316.48	4.43	-44.08
COCC(C)(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300007671332	0	40	-1.0	-50.41	326.48	0.86	-49.55
COCC(C)(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300007671333	0	44	-1.0	-42.01	335.69	4.15	-37.86
COCC(C)(NS(=O)(=O)CCC1=CC=C(C)C=C1)C(=O)[O-]	REAL300007671334	0	41	-1.0	-44.09	336.54	4.50	-39.59
COCC(C)(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300007671335	0	38	-1.0	-46.67	311.30	1.07	-45.60
COCC(C)(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300007671336	0	35	-1.0	-49.59	301.51	2.16	-47.43
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300007671337	0	36	-1.0	-46.19	313.74	2.05	-44.14
COCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300007671338	0	38	-1.0	-61.72	317.57	4.04	-57.68
COCC(C)(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007671339	0	40	-1.0	-70.80	323.58	4.55	-66.25
COCC(C)(NS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300007671340	0	37	-1.0	-49.12	311.80	-0.16	-49.28
CCC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1CC	REAL300007671341	0	44	-1.0	-48.79	345.29	4.75	-44.04
COCC(C)(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007671342	0	40	-1.0	-43.58	325.02	4.56	-39.02
COCC(C)(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300007671343	0	42	-1.0	-63.24	332.80	4.38	-58.86
COCC(C)(NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300007671344	0	35	-1.0	-48.90	301.66	2.70	-46.20
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007671345	0	33	-1.0	-46.42	296.30	-0.27	-46.69
CCC1=NC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])S1	REAL300007671346	0	34	-1.0	-47.03	298.95	0.92	-46.11
COCC(C)(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007671347	0	39	-1.0	-49.61	317.40	2.01	-47.60
COCC(C)(NS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300007671348	0	35	-1.0	-60.22	299.93	3.06	-57.16
COCC(C)(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007671349	0	38	-1.0	-63.21	319.54	4.15	-59.06
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007671350	0	35	-1.0	-47.68	300.35	0.49	-47.19
COCC(C)(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300007671351	0	38	-1.0	-46.15	314.28	3.68	-42.47
COCC(C)(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007671352	0	39	-1.0	-53.53	323.39	1.91	-51.62
COCC(C)(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007671353	0	45	-1.0	-42.66	370.66	3.89	-38.77
COCC(C)(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007671354	0	36	-1.0	-49.44	310.52	2.21	-47.23
COCC(C)(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007671355	0	34	-1.0	-49.12	304.95	1.14	-47.98
COCC(C)(NS(=O)(=O)CC1=CSC(C)=N1)C(=O)[O-]	REAL300007671356	0	34	-1.0	-47.11	300.01	0.88	-46.23
COCC(C)(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007671357	0	35	-1.0	-40.93	309.94	3.72	-37.21
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300007671358	0	35	-1.0	-46.19	302.86	3.26	-42.93
COCC(C)(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007671359	0	38	-1.0	-55.91	315.51	3.16	-52.75
COCC(C)(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300007671360	0	41	-1.0	-49.03	353.33	3.78	-45.25
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007671361	0	40	-1.0	-48.09	325.05	3.12	-44.97
COCC(C)(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007671362	0	39	-1.0	-55.48	332.59	0.11	-55.37
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007671363	0	41	-1.0	-51.10	334.96	2.28	-48.82
COCC(C)(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007671364	0	35	-1.0	-43.59	313.48	3.57	-40.02
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671365	0	45	-1.0	-58.20	360.95	4.40	-53.80
COCC(C)(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300007671366	0	45	-1.0	-42.57	344.23	2.99	-39.58
COCC(C)(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300007671367	0	48	-1.0	-43.98	361.06	3.33	-40.65
COCC(C)(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007671368	0	46	-1.0	-49.65	385.69	5.54	-44.11
CCOC(CS(=O)(=O)NC(C)(COC)C(=O)[O-])C1CC1	REAL300007671369	0	42	-1.0	-44.27	333.65	2.76	-41.51
CCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1C(C)C	REAL300007671370	0	51	-1.0	-48.04	398.84	5.28	-42.76
CCC1=NC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=CN1CC1CC1	REAL300007671371	0	45	-1.0	-62.30	365.34	4.84	-57.46
COCC(C)(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007671372	0	35	-1.0	-47.14	308.55	1.84	-45.30
COCC(C)(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007671373	0	40	-1.0	-44.15	336.91	4.13	-40.02
COCC(C)(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007671374	0	39	-1.0	-45.85	313.13	1.92	-43.93
COCC(C)(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007671375	0	45	-1.0	-54.36	371.95	4.87	-49.49
COCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007671376	0	35	-1.0	-42.80	309.35	0.83	-41.97
COCC(C)(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007671377	0	43	-1.0	-61.62	370.22	6.79	-54.83
COCC(C)(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007671378	0	42	-1.0	-51.18	337.88	5.22	-45.96
CCC1=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C(C)C=C1OC	REAL300007671379	0	45	-1.0	-46.20	358.83	3.30	-42.90
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007671380	0	38	-1.0	-45.63	338.61	4.04	-41.59
COCC(C)(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007671381	1	34	-1.0	-56.15	298.69	1.29	-54.86
COCC(C)(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300007671382	0	41	-1.0	-52.05	323.06	5.31	-46.74
COCC(C)(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300007671383	0	41	-1.0	-46.83	336.65	0.79	-46.04
COCC(C)(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300007671384	0	36	-1.0	-55.49	305.67	2.66	-52.83
CCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1C(C)C	REAL300007671385	0	48	-1.0	-48.40	377.34	4.47	-43.93
COCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007671386	0	44	-1.0	-46.87	346.43	4.44	-42.43
COCC(C)(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007671387	0	51	-1.0	-43.56	395.06	7.01	-36.55
COCC(C)(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007671388	0	42	-1.0	-45.84	327.96	2.26	-43.58
COCC(C)(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007671389	0	44	-1.0	-62.08	341.64	2.84	-59.24
COCC(C)(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007671390	0	42	-1.0	-48.49	335.99	2.50	-45.99
COCC(C)(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007671391	0	35	-1.0	-39.76	298.87	0.98	-38.78
COCC(C)(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007671392	0	39	-1.0	-47.35	328.21	2.48	-44.87
C=CCCC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1	REAL300007671393	0	42	-1.0	-48.79	344.64	4.96	-43.83
CCC1=NN(C)C=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671394	0	38	-1.0	-56.46	312.95	1.63	-54.83
CCCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1C(C)C	REAL300007671395	0	54	-1.0	-47.84	420.34	6.01	-41.83
COCC(C)(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007671396	0	36	-1.0	-45.85	320.04	4.05	-41.80
CCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1C(C)(C)C	REAL300007671397	0	54	-1.0	-48.16	411.40	5.94	-42.22
CCCOC1=CC=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C=C1CC	REAL300007671398	0	48	-1.0	-47.87	382.75	4.70	-43.17
COCC(C)(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300007671399	0	38	-1.0	-43.73	314.49	4.36	-39.37
COCC(C)(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007671400	0	38	-1.0	-41.05	330.45	4.39	-36.66
COCC(C)(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007671401	0	36	-1.0	-47.42	317.55	3.96	-43.46
CCCC1=CC=CC=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671402	0	41	-1.0	-60.22	323.78	5.30	-54.92
COCC(C)(NS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300007671403	0	35	-1.0	-46.53	297.09	-0.66	-47.19
COCC(C)(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007671404	0	48	-1.0	-55.63	386.77	5.37	-50.26
COCC(C)(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007671405	0	37	-1.0	-46.64	308.42	2.31	-44.33
COCC(C)(NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300007671406	0	35	-1.0	-46.31	288.76	2.82	-43.49
COCC(C)(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007671407	0	39	-1.0	-48.89	318.56	1.83	-47.06
COCC(C)(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007671408	0	39	-1.0	-49.31	319.14	2.08	-47.23
COCC(C)(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007671409	0	42	-1.0	-53.95	333.97	3.25	-50.70
COCC(C)(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007671410	0	43	-1.0	-51.18	349.49	-0.17	-51.35
COCC(C)(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007671411	0	38	-1.0	-48.10	335.60	3.23	-44.87
COCC(C)(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007671412	0	39	-1.0	-48.88	305.83	2.47	-46.41
COCC(C)(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300007671413	0	48	-1.0	-60.63	373.33	4.73	-55.90
COCC(C)(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300007671414	0	42	-1.0	-46.79	346.87	3.47	-43.32
COCC(C)(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300007671415	0	40	-1.0	-62.81	328.35	3.26	-59.55
COCC(C)(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007671416	0	40	-1.0	-46.86	337.54	2.00	-44.86
COCC(C)(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007671417	0	38	-1.0	-50.69	324.91	2.85	-47.84
COCC(C)(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300007671418	0	37	-1.0	-58.13	310.57	1.56	-56.57
COCC(C)(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300007671419	0	41	-1.0	-58.06	316.65	3.03	-55.03
COCC(C)(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007671420	0	36	-1.0	-44.16	328.01	2.67	-41.49
COCC(C)(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300007671421	0	33	-1.0	-45.03	282.12	0.99	-44.04
COCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007671422	0	35	-1.0	-49.64	307.35	3.74	-45.90
COCC(C)(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007671423	0	39	-1.0	-49.71	322.59	1.95	-47.76
COCC(C)(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300007671424	0	41	-1.0	-46.88	322.38	4.56	-42.32
COCC(C)(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300007671425	0	40	-1.0	-58.63	328.51	2.52	-56.11
COCC(C)(NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007671426	0	35	-1.0	-48.30	304.06	2.12	-46.18
COCC(C)(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007671427	0	45	-1.0	-56.95	360.31	3.52	-53.43
COCC(C)(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300007671428	0	44	-1.0	-55.22	347.80	3.07	-52.15
CCCCN1C=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C(C)=N1	REAL300007671429	0	44	-1.0	-46.19	356.58	2.25	-43.94
COCC(C)(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007671430	0	39	-1.0	-57.51	327.57	2.53	-54.98
COCC(C)(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007671431	0	36	-1.0	-49.83	306.63	1.75	-48.08
COCC(C)(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007671432	0	37	-1.0	-53.49	318.21	0.14	-53.35
COCC(C)(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300007671433	0	38	-1.0	-43.88	327.34	3.72	-40.16
COCC(C)(NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300007671434	0	43	-1.0	-42.49	319.45	3.21	-39.28
COCC(C)(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007671435	0	38	-1.0	-45.50	338.05	3.35	-42.15
COCC(C)(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007671436	0	42	-1.0	-56.97	344.24	3.01	-53.96
COCC(C)(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300007671437	0	50	-1.0	-61.71	384.78	6.69	-55.02
COCC(C)(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007671438	0	38	-1.0	-48.25	339.43	4.06	-44.19
COCC(C)(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007671439	0	42	-1.0	-49.93	342.32	2.76	-47.17
COCC(C)(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007671440	0	36	-1.0	-49.02	304.85	3.36	-45.66
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007671441	0	43	-1.0	-45.02	370.63	4.77	-40.25
COCC(C)(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007671442	0	41	-1.0	-61.82	336.58	3.37	-58.45
CCCC1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671443	0	41	-1.0	-49.28	331.78	4.38	-44.90
COCC(C)(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007671444	0	39	-1.0	-46.88	313.69	1.65	-45.23
COCC(C)(NS(=O)(=O)C1=C(C)C=CC=C1C)C(=O)[O-]	REAL300007671445	0	38	-1.0	-48.24	295.73	3.97	-44.27
COCC(C)(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007671446	0	41	-1.0	-43.32	311.89	2.11	-41.21
COCC(C)(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007671447	0	41	-1.0	-49.43	332.92	1.84	-47.59
COCC(C)(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007671448	0	39	-1.0	-55.47	321.41	1.69	-53.78
COCC(C)(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007671449	0	37	-1.0	-44.83	318.39	2.01	-42.82
COCC(C)(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007671450	0	35	-1.0	-44.51	312.59	3.32	-41.19
COCC(C)(NS(=O)(=O)C1=CC=CC(C)=C1C)C(=O)[O-]	REAL300007671451	0	38	-1.0	-46.48	306.29	3.51	-42.97
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671452	0	43	-1.0	-61.77	353.95	4.71	-57.06
COCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007671453	0	43	-1.0	-47.71	337.69	5.21	-42.50
COCC(C)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007671454	0	38	-1.0	-45.68	332.28	3.25	-42.43
COCC(C)(NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007671455	0	38	-1.0	-57.25	311.65	3.38	-53.87
COCC(C)(NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007671456	0	39	-1.0	-47.83	322.92	0.68	-47.15
COCC(C)(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007671457	0	32	-1.0	-39.35	287.92	1.97	-37.38
COCC(C)(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300007671458	0	39	-1.0	-49.16	317.45	4.29	-44.87
COCC(C)(NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300007671459	0	33	-1.0	-45.82	296.70	0.35	-45.47
COCC(C)(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007671460	0	42	-1.0	-49.50	336.69	2.77	-46.73
CCC(C)N1N=CC=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671461	0	41	-1.0	-45.83	328.94	2.04	-43.79
COCC(C)(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007671462	0	46	-1.0	-48.94	330.48	3.41	-45.53
COCC(C)(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007671463	0	46	-1.0	-57.00	370.25	1.75	-55.25
COCC(C)(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007671464	0	38	-1.0	-49.88	321.44	3.72	-46.16
COCC(C)(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007671465	0	36	-1.0	-57.33	308.65	2.26	-55.07
COCC(C)(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007671466	0	47	-1.0	-42.41	360.01	5.44	-36.97
COCC(C)(NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300007671467	0	33	-1.0	-47.68	292.37	0.75	-46.93
COCC(C)(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007671468	0	43	-1.0	-56.79	339.75	4.71	-52.08
COCC(C)(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007671469	0	40	-1.0	-38.69	320.45	2.92	-35.77
COCC(C)(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300007671470	0	35	-1.0	-49.06	301.07	0.82	-48.24
CCOCC1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671471	0	42	-1.0	-50.40	344.32	2.85	-47.55
COCC(C)(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007671472	0	42	-1.0	-46.45	348.46	3.34	-43.11
COCC(C)(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007671473	0	45	-1.0	-48.28	354.96	3.09	-45.19
COCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007671474	0	43	-1.0	-48.30	356.01	5.09	-43.21
COCC(C)(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300007671475	0	35	-1.0	-44.52	289.27	2.50	-42.02
COCC(C)(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300007671476	0	38	-1.0	-46.39	324.95	4.08	-42.31
COCC(C)(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300007671477	0	41	-1.0	-49.18	331.39	4.59	-44.59
COCC(C)(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007671478	0	42	-1.0	-58.91	348.13	4.17	-54.74
COCC(C)(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007671479	0	36	-1.0	-46.30	309.72	3.60	-42.70
COCC(C)(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007671480	0	36	-1.0	-45.77	324.60	4.15	-41.62
COCC(C)(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007671481	0	36	-1.0	-45.80	324.59	4.16	-41.64
COCC(C)(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007671482	0	37	-1.0	-41.60	313.07	-3.71	-45.31
COCC(C)(NS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300007671483	0	35	-1.0	-51.14	294.45	2.47	-48.67
COCC(C)(NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300007671484	0	38	-1.0	-39.01	305.21	2.17	-36.84
COCC(C)(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007671485	0	34	-1.0	-56.69	300.20	2.08	-54.61
COCC(C)(NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300007671486	0	40	-1.0	-47.68	324.70	-0.48	-48.16
COCC(C)(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007671487	0	41	-1.0	-60.55	348.17	2.28	-58.27
COCC(C)(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007671488	0	49	-1.0	-43.45	346.44	5.36	-38.09
COCC(C)(NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300007671489	0	42	-1.0	-44.09	330.41	1.63	-42.46
COCC(C)(NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300007671490	0	35	-1.0	-44.64	300.43	-1.83	-46.47
COCC(C)(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007671491	0	40	-1.0	-48.36	308.91	2.77	-45.59
COCC(C)(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007671492	0	40	-1.0	-55.67	340.37	-0.84	-56.51
COCC(C)(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007671493	0	45	-1.0	-43.25	343.89	2.84	-40.41
COCC(C)(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300007671494	0	42	-1.0	-41.77	340.17	4.78	-36.99
COCC(C)(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007671495	0	36	-1.0	-49.59	317.63	1.52	-48.07
COCC(C)(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007671496	0	42	-1.0	-42.94	353.15	5.25	-37.69
COCC(C)(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007671497	0	41	-1.0	-43.83	323.85	-0.12	-43.95
COCC(C)(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007671498	0	45	-1.0	-42.35	337.41	4.48	-37.87
COCC(C)(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007671499	0	36	-1.0	-48.77	312.37	3.62	-45.15
COCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007671500	0	54	-1.0	-48.93	396.19	6.33	-42.60
COCC(C)(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007671501	0	43	-1.0	-58.00	347.70	3.20	-54.80
COCC(C)(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300007671502	0	37	-1.0	-63.32	322.49	0.61	-62.71
COCC(C)(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300007671503	0	44	-1.0	-41.65	322.06	3.31	-38.34
COCC(C)(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007671504	0	43	-1.0	-49.93	338.84	4.45	-45.48
COCC(C)(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007671505	0	36	-1.0	-57.23	320.05	3.40	-53.83
COCC(C)(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007671506	0	36	-1.0	-49.05	307.08	1.76	-47.29
COCC(C)(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007671507	0	36	-1.0	-61.11	313.29	2.30	-58.81
COCC(C)(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007671508	0	38	-1.0	-47.29	312.80	2.10	-45.19
COCC(C)(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300007671509	0	39	-1.0	-52.55	321.16	4.02	-48.53
COCC(C)(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007671510	0	41	-1.0	-46.53	346.31	2.75	-43.78
COCC(C)(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007671511	0	45	-1.0	-59.62	360.32	4.84	-54.78
COCC(C)(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007671512	0	43	-1.0	-62.56	359.06	5.58	-56.98
COCC(C)(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007671513	0	38	-1.0	-47.03	308.04	3.53	-43.50
COCC(C)(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007671514	0	33	-1.0	-44.92	315.11	0.52	-44.40
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671515	0	43	-1.0	-57.73	353.04	4.30	-53.43
CCN1C=C(S(=O)(=O)NC(C)(COC)C(=O)[O-])C(C2CC2)=N1	REAL300007671516	0	42	-1.0	-57.39	349.10	3.38	-54.01
COCC(C)(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300007671517	0	36	-1.0	-52.33	308.50	1.72	-50.61
COCC(C)(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007671518	0	38	-1.0	-48.04	330.03	5.02	-43.02
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007671519	0	42	-1.0	-56.71	360.29	6.61	-50.10
COCC(C)(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007671520	0	31	-1.0	-53.26	298.69	1.04	-52.22
CCC1=CC(S(=O)(=O)NC(C)(COC)C(=O)[O-])=CC=C1Br	REAL300007671521	0	38	-1.0	-45.86	327.26	4.06	-41.80
COCC(C)(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007671522	0	45	-1.0	-46.11	357.55	3.41	-42.70
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007671523	0	29	-1.0	-45.84	277.26	1.90	-43.94
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)(COC)C(=O)[O-])=C1	REAL300007671524	0	46	-1.0	-47.32	376.62	2.35	-44.97
COCC(C)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007671525	0	38	-1.0	-46.91	331.53	4.64	-42.27
COCC(C)(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007671526	0	40	-1.0	-45.83	319.00	-0.11	-45.94
COCC(C)(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300007671527	0	39	-1.0	-60.86	314.79	4.80	-56.06
COCC(C)(NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300007671528	0	43	-1.0	-57.78	318.21	2.69	-55.09
COCC(C)(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007671529	0	47	-1.0	-48.72	369.47	2.72	-46.00
COCC(C)(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300007671530	0	35	-1.0	-45.27	317.18	-0.58	-45.85
COCC(C)(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300007671531	0	38	-1.0	-46.50	314.76	-0.40	-46.90
COCC(C)(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300007671532	0	41	-1.0	-49.76	335.87	2.21	-47.55
COCC(C)(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300007671533	0	41	-1.0	-56.42	335.19	2.32	-54.10
COCC(C)(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007671534	0	42	-1.0	-58.65	326.42	0.55	-58.10
COCC1=CC(CS(=O)(=O)NC(C)(COC)C(=O)[O-])=NO1	REAL300007671535	0	38	-1.0	-46.74	324.03	0.34	-46.40
COCC(C)(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007671536	0	37	-1.0	-41.39	322.49	3.73	-37.66
COCC(C)(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007671537	0	43	-1.0	-46.88	340.67	2.65	-44.23
COCC(C)(NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300007671538	0	38	-1.0	-48.95	313.60	1.43	-47.52
COCC(C)(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007671539	0	39	-1.0	-48.41	324.38	2.30	-46.11
COCC(C)(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007671540	0	39	-1.0	-49.47	321.54	3.42	-46.05
COCC(C)(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300007671541	0	34	-1.0	-58.16	299.91	1.98	-56.18
COCC(C)(NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300007671542	0	37	-1.0	-47.68	299.42	2.90	-44.78
COCC(C)(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300007671543	0	41	-1.0	-61.89	334.90	2.41	-59.48
COCC(C)(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300007671544	0	46	-1.0	-48.11	376.19	5.84	-42.27
COCC(C)(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007671545	0	37	-1.0	-64.74	307.95	3.58	-61.16
COCC(C)(NS(=O)(=O)C1=NC=C(C)C=C1C)C(=O)[O-]	REAL300007671546	0	37	-1.0	-51.39	303.22	2.34	-49.05
COCC(C)(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007671547	0	35	-1.0	-38.16	295.36	2.62	-35.54
COCC(C)(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007671548	0	40	-1.0	-54.55	321.45	-1.79	-56.34
COCC(C)(NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300007671549	0	39	-1.0	-56.79	300.53	1.09	-55.70
COCC(C)(NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300007671550	0	38	-1.0	-39.64	302.79	2.26	-37.38
COCC(C)(NS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300007671551	0	35	-1.0	-48.87	294.01	-0.34	-49.21
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300007671552	0	39	-1.0	-44.90	320.14	2.31	-42.59
COCC(C)(NS(=O)(=O)C1=CC=C(OC)C=N1)C(=O)[O-]	REAL300007671553	0	35	-1.0	-58.42	297.14	0.42	-58.00
COCC(C)(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300007671554	0	38	-1.0	-44.50	339.30	-0.13	-44.63
COCC(C)(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300007671555	0	37	-1.0	-47.96	309.26	2.17	-45.79
CCOC1=CC=CN=C1S(=O)(=O)NC(C)(COC)C(=O)[O-]	REAL300007671556	0	38	-1.0	-55.51	307.36	1.49	-54.02
COCC(C)(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007671557	0	40	-1.0	-53.20	331.18	2.94	-50.26
COCC(C)(NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007671558	0	36	-1.0	-47.72	306.41	2.47	-45.25
COCC(C)(NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300007671559	0	34	-1.0	-55.27	284.97	1.55	-53.72
COCC(C)(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300007671560	0	34	-1.0	-50.29	298.63	1.27	-49.02
COCC(C)(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007671561	0	39	-1.0	-43.61	345.70	3.07	-40.54
COCC(C)(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300007671562	0	45	-1.0	-48.76	359.74	3.74	-45.02
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2)C(OC)=C1	REAL300007671563	0	43	-1.0	-59.18	370.30	4.82	-54.36
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(F)=C2)C(OC)=C1	REAL300007671564	0	43	-1.0	-46.89	371.65	4.66	-42.23
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C)C(OC)=C1	REAL300007671565	0	41	-1.0	-56.80	344.29	1.98	-54.82
CCCCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671566	0	50	-1.0	-57.80	395.49	4.54	-53.26
CCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671567	0	45	-1.0	-59.06	375.19	4.13	-54.93
CCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671568	0	39	-1.0	-59.16	332.19	2.55	-56.61
COC1=CC=C(C(CC(=O)[O-])NS(C)(=O)=O)C(OC)=C1	REAL300007671569	0	36	-1.0	-59.08	310.73	1.67	-57.41
CCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671570	0	42	-1.0	-59.07	353.69	3.34	-55.73
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CS2)C(OC)=C1	REAL300007671571	0	40	-1.0	-58.61	361.86	3.90	-54.71
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)S2)C(OC)=C1	REAL300007671572	0	43	-1.0	-59.17	383.84	4.71	-54.46
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCOCC2)C(OC)=C1	REAL300007671573	0	46	-1.0	-56.83	367.03	1.74	-55.09
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)N=C2)C(OC)=C1	REAL300007671574	0	43	-1.0	-49.32	370.81	2.31	-47.01
CCN(CC)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671575	0	47	-1.0	-57.98	374.22	3.94	-54.04
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)N(C)N=C2C)C(OC)=C1	REAL300007671576	0	49	-1.0	-59.68	404.18	3.97	-55.71
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)C=C1	REAL300007671577	0	49	-1.0	-58.61	412.87	6.35	-52.26
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CNN=C2C)C(OC)=C1	REAL300007671578	0	43	-1.0	-58.01	349.24	2.11	-55.90
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=CC(F)=C2)C(OC)=C1	REAL300007671579	0	46	-1.0	-46.72	393.55	5.29	-41.43
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2CC2)C(OC)=C1	REAL300007671580	0	46	-1.0	-58.91	384.99	5.01	-53.90
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=NOC=C2)C(OC)=C1	REAL300007671581	0	42	-1.0	-65.43	366.77	2.96	-62.47
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)N(C)N=C2)C(OC)=C1	REAL300007671582	0	46	-1.0	-62.80	384.87	3.59	-59.21
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CC3CCC2C3)C(OC)=C1	REAL300007671583	0	49	-1.0	-59.93	387.24	4.80	-55.13
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C(C)C)N=C2)C(OC)=C1	REAL300007671584	0	49	-1.0	-49.20	411.82	3.62	-45.58
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C(C)C)C=N2)C(OC)=C1	REAL300007671585	0	49	-1.0	-66.46	415.78	5.19	-61.27
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CNC(C(C)C)=N2)C(OC)=C1	REAL300007671586	0	49	-1.0	-60.21	401.43	3.82	-56.39
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCCOC2)C(OC)=C1	REAL300007671587	0	50	-1.0	-60.75	402.11	3.59	-57.16
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(F)=C2C)C(OC)=C1	REAL300007671588	0	46	-1.0	-56.28	384.84	5.71	-50.57
COCCC(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671589	0	49	-1.0	-59.38	393.99	3.53	-55.85
CCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671590	0	48	-1.0	-59.46	387.65	4.74	-54.72
CCN(CC1CC1)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671591	0	51	-1.0	-58.71	408.30	5.49	-53.22
CCCN1C=NC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)=C1	REAL300007671592	0	49	-1.0	-66.59	417.70	5.56	-61.03
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCOCC2CC2)C(OC)=C1	REAL300007671593	0	50	-1.0	-48.32	415.92	3.87	-44.45
COCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671594	0	49	-1.0	-60.34	402.36	3.19	-57.15
CCOCC(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671595	0	52	-1.0	-60.34	424.22	4.17	-56.17
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC(C)(C)C)C(OC)=C1	REAL300007671596	0	51	-1.0	-59.01	408.93	5.06	-53.95
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCC(C)C2)C(OC)=C1	REAL300007671597	0	48	-1.0	-58.42	392.58	3.82	-54.60
CCC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)=C1	REAL300007671598	0	49	-1.0	-48.18	408.14	6.04	-42.14
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2=CC=CS2)C(OC)=C1	REAL300007671599	0	46	-1.0	-46.63	400.36	5.16	-41.47
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)CC(C)C)C(OC)=C1	REAL300007671600	0	50	-1.0	-57.70	402.22	4.13	-53.57
CCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671601	0	44	-1.0	-57.54	353.20	3.04	-54.50
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C2CCCC2)C(OC)=C1	REAL300007671602	0	51	-1.0	-58.06	402.78	4.76	-53.30
CCCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671603	0	47	-1.0	-57.57	388.33	3.61	-53.96
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC(C)=NO2)C(OC)=C1	REAL300007671604	0	45	-1.0	-59.29	388.75	3.87	-55.42
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2CCCO2)C(OC)=C1	REAL300007671605	0	50	-1.0	-61.37	409.77	3.76	-57.61
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC(C)OC)C(OC)=C1	REAL300007671606	0	46	-1.0	-62.05	384.98	2.57	-59.48
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2(C)CCCCC2)C(OC)=C1	REAL300007671607	0	55	-1.0	-46.27	414.06	6.15	-40.12
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=NN2C)C(OC)=C1	REAL300007671608	0	42	-1.0	-47.61	362.63	1.09	-46.52
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2CCC2)C(OC)=C1	REAL300007671609	0	49	-1.0	-45.68	397.77	5.20	-40.48
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCCC(C)(C)C)C(OC)=C1	REAL300007671610	0	54	-1.0	-59.20	430.44	5.81	-53.39
COCC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)CC1	REAL300007671611	0	47	-1.0	-61.66	383.84	3.91	-57.75
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC23CCC(CC2)C3)C(OC)=C1	REAL300007671612	0	53	-1.0	-60.64	412.87	6.35	-54.29
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CC(F)(F)C2)C(OC)=C1	REAL300007671613	0	46	-1.0	-43.59	390.21	4.52	-39.07
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2CCOC2)C(OC)=C1	REAL300007671614	0	50	-1.0	-59.89	407.65	3.37	-56.52
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=NN(C)C=C2)C(OC)=C1	REAL300007671615	0	43	-1.0	-53.85	371.63	2.12	-51.73
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(Cl)C=C2)C(OC)=C1	REAL300007671616	0	43	-1.0	-55.08	386.70	5.43	-49.65
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)C=C1	REAL300007671617	0	47	-1.0	-57.65	399.48	4.21	-53.44
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)C=C2)C(OC)=C1	REAL300007671618	0	46	-1.0	-59.01	391.38	5.59	-53.42
CCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671619	0	39	-1.0	-59.16	332.19	2.55	-56.61
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(C)=C2)C(OC)=C1	REAL300007671620	0	46	-1.0	-48.32	387.80	5.22	-43.10
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C=CC2=CC=CC=C2)C(OC)=C1	REAL300007671621	0	47	-1.0	-50.29	400.25	5.86	-44.43
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(Cl)=C2)C(OC)=C1	REAL300007671622	0	43	-1.0	-46.18	381.98	5.12	-41.06
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=CC=C2C)C(OC)=C1	REAL300007671623	0	49	-1.0	-61.10	395.97	6.61	-54.49
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)C(C)=C2)C(OC)=C1	REAL300007671624	0	49	-1.0	-49.22	404.79	5.74	-43.48
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)C=C2C)C(OC)=C1	REAL300007671625	0	49	-1.0	-61.06	395.49	6.65	-54.41
CCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671626	0	45	-1.0	-59.06	375.19	4.13	-54.93
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2OC)C(OC)=C1	REAL300007671627	0	47	-1.0	-61.74	378.93	5.02	-56.72
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC=C2)C(OC)=C1	REAL300007671628	0	46	-1.0	-60.92	392.10	5.59	-55.33
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)NN=C2C)C(OC)=C1	REAL300007671629	0	46	-1.0	-54.25	382.91	2.75	-51.50
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)ON=C2C)C(OC)=C1	REAL300007671630	0	45	-1.0	-54.53	381.06	3.91	-50.62
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCCCCC2)C(OC)=C1	REAL300007671631	0	51	-1.0	-45.90	396.62	4.86	-41.04
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCCCC2)C(OC)=C1	REAL300007671632	0	48	-1.0	-57.77	375.12	4.26	-53.51
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCCC2)C(OC)=C1	REAL300007671633	0	45	-1.0	-46.99	367.73	3.18	-43.81
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCC(C)CC2)C(OC)=C1	REAL300007671634	0	51	-1.0	-46.05	404.67	4.61	-41.44
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(F)=CC=C2C)C(OC)=C1	REAL300007671635	0	46	-1.0	-60.90	383.17	6.25	-54.65
COC1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)=C1	REAL300007671636	0	47	-1.0	-50.17	394.74	3.90	-46.27
CCC1=CC=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671637	0	49	-1.0	-60.97	394.77	6.53	-54.44
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2C)C(OC)=C1	REAL300007671638	0	46	-1.0	-46.23	378.37	5.34	-40.89
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)C(C)=N2)C(OC)=C1	REAL300007671639	0	46	-1.0	-54.81	391.27	3.44	-51.37
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)C(F)=C2)C(OC)=C1	REAL300007671640	0	46	-1.0	-47.01	391.97	5.31	-41.70
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=C(C)C=C2)C(OC)=C1	REAL300007671641	0	49	-1.0	-48.67	410.04	5.96	-42.71
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)C=N2)C(OC)=C1	REAL300007671642	0	43	-1.0	-67.60	374.39	3.90	-63.70
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CN=C2)C(OC)=C1	REAL300007671643	0	42	-1.0	-56.08	365.29	3.03	-53.05
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCCCC2C)C(OC)=C1	REAL300007671644	0	51	-1.0	-58.23	397.91	4.86	-53.37
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C(C)C)C(OC)=C1	REAL300007671645	0	47	-1.0	-58.23	372.93	3.64	-54.59
CCCN(CCC)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671646	0	53	-1.0	-58.15	417.24	5.46	-52.69
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2CC2)C(OC)=C1	REAL300007671647	0	40	-1.0	-46.65	338.33	3.12	-43.53
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC=C2F)C(OC)=C1	REAL300007671648	0	46	-1.0	-60.94	396.98	5.70	-55.24
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCCC2)C(OC)=C1	REAL300007671649	0	49	-1.0	-46.09	391.73	5.01	-41.08
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CSC=C2)C(OC)=C1	REAL300007671650	0	40	-1.0	-57.26	361.41	3.72	-53.54
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCCCC2)C(OC)=C1	REAL300007671651	0	52	-1.0	-45.94	407.90	5.65	-40.29
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C2CC2)C(OC)=C1	REAL300007671652	0	45	-1.0	-57.43	369.50	3.95	-53.48
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC(C)=C2)C(OC)=C1	REAL300007671653	0	49	-1.0	-61.20	413.19	6.35	-54.85
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC(F)=C2)C(OC)=C1	REAL300007671654	0	46	-1.0	-47.06	394.43	5.34	-41.72
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2=CC=CC=C2C)C(OC)=C1	REAL300007671655	0	49	-1.0	-61.00	407.49	6.25	-54.75
COCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671656	0	43	-1.0	-57.26	365.87	1.63	-55.63
CCCCCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671657	0	54	-1.0	-58.99	439.69	6.47	-52.52
CCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)N=C1C	REAL300007671658	0	49	-1.0	-55.78	412.61	4.29	-51.49
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCCO2)C(OC)=C1	REAL300007671659	0	47	-1.0	-48.69	384.15	2.67	-46.02
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCCCO2)C(OC)=C1	REAL300007671660	0	50	-1.0	-47.51	401.66	3.87	-43.64
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COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C(C)C2CC2)C(OC)=C1	REAL300007671663	0	51	-1.0	-46.53	409.82	4.71	-41.82
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NN2C)C(OC)=C1	REAL300007671664	0	43	-1.0	-47.94	368.38	2.30	-45.64
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCOC2)C(OC)=C1	REAL300007671665	0	47	-1.0	-60.72	384.42	2.78	-57.94
CCCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671666	0	48	-1.0	-59.04	396.69	4.91	-54.13
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COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(OC)N=C2)C(OC)=C1	REAL300007671671	0	46	-1.0	-55.99	397.48	1.51	-54.48
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CO2)C(OC)=C1	REAL300007671672	0	40	-1.0	-59.46	353.06	2.82	-56.64
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COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=COC=C2)C(OC)=C1	REAL300007671674	0	40	-1.0	-47.54	349.58	2.47	-45.07
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=CS2)C(OC)=C1	REAL300007671675	0	43	-1.0	-60.25	367.01	4.67	-55.58
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2CCOC2)C(OC)=C1	REAL300007671676	0	44	-1.0	-45.82	359.09	1.59	-44.23
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COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCCF)C(OC)=C1	REAL300007671679	0	42	-1.0	-59.97	360.29	3.48	-56.49
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCCCF)C(OC)=C1	REAL300007671680	0	45	-1.0	-59.13	381.79	4.26	-54.87
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN(C)N=C2C)C(OC)=C1	REAL300007671681	0	46	-1.0	-58.01	384.29	3.48	-54.53
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)O2)C(OC)=C1	REAL300007671682	0	43	-1.0	-60.06	374.95	3.65	-56.41
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C=C(C)CS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671684	0	43	-1.0	-59.21	366.52	3.78	-55.43
C=CCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671685	0	46	-1.0	-59.19	388.00	4.69	-54.50
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2CCC2)C(OC)=C1	REAL300007671686	0	46	-1.0	-59.83	380.11	4.75	-55.08
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(OC)=CN=C2)C(OC)=C1	REAL300007671687	0	46	-1.0	-48.81	389.86	2.05	-46.76
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2CCCCC2)C(OC)=C1	REAL300007671688	0	55	-1.0	-46.15	430.92	6.25	-39.90
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCC2CCCC2)C(OC)=C1	REAL300007671689	0	52	-1.0	-45.96	413.80	5.67	-40.29
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2(C)CC2)C(OC)=C1	REAL300007671690	0	43	-1.0	-46.53	344.44	3.52	-43.01
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=C(C)S2)C(OC)=C1	REAL300007671691	0	46	-1.0	-48.44	400.08	5.01	-43.43
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=C(C)S2)C(OC)=C1	REAL300007671692	0	42	-1.0	-56.24	378.55	2.74	-53.50
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)ON=C2N)C(OC)=C1	REAL300007671693	1	44	-1.0	-47.79	372.93	1.95	-45.84
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=C(C)S2)C(OC)=C1	REAL300007671694	0	46	-1.0	-48.38	387.36	4.78	-43.60
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)N=C2)C(OC)=C1	REAL300007671695	0	45	-1.0	-47.85	382.99	3.35	-44.50
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC(OC)C2CC2)C(OC)=C1	REAL300007671696	0	50	-1.0	-62.08	410.59	4.75	-57.33
CCC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)CC1	REAL300007671697	0	46	-1.0	-62.31	359.59	4.60	-57.71
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2COC(C)(C)C2)C(OC)=C1	REAL300007671698	0	50	-1.0	-58.58	395.40	3.62	-54.96
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COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCCC2CC2)C(OC)=C1	REAL300007671700	0	49	-1.0	-45.27	402.65	5.47	-39.80
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CN=C2OC)C(OC)=C1	REAL300007671701	0	46	-1.0	-50.77	384.72	2.10	-48.67
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=C(C)N2C)C(OC)=C1	REAL300007671702	0	46	-1.0	-49.38	387.65	3.68	-45.70
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=N2)C(OC)=C1	REAL300007671703	0	42	-1.0	-63.81	366.20	2.91	-60.90
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)SC=C2C)C(OC)=C1	REAL300007671704	0	46	-1.0	-54.95	389.70	5.61	-49.34
CCN1N=NC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671705	0	45	-1.0	-54.14	372.20	2.30	-51.84
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C(OC)=C1	REAL300007671706	0	52	-1.0	-47.12	411.33	4.77	-42.35
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)C(OC)=C1	REAL300007671707	0	49	-1.0	-58.15	398.49	4.29	-53.86
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(C)C=CC=C2C)C(OC)=C1	REAL300007671708	0	49	-1.0	-46.71	393.53	6.15	-40.56
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=NN2C)C(OC)=C1	REAL300007671709	0	46	-1.0	-48.92	390.07	2.95	-45.97
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC(C)=C2C)C(OC)=C1	REAL300007671710	0	49	-1.0	-46.74	395.41	5.74	-41.00
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C2CCC2)C(OC)=C1	REAL300007671711	0	48	-1.0	-57.48	384.87	3.93	-53.55
COC1=CC=C(C(CC(=O)[O-])NC(=O)N2CCC(F)(F)CC2)C(OC)=C1	REAL300007671712	0	47	-1.0	-59.81	373.11	7.60	-52.21
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N(C)C(C)(C)C)C(OC)=C1	REAL300007671713	0	50	-1.0	-58.42	385.51	4.56	-53.86
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)O1	REAL300007671714	0	46	-1.0	-60.01	396.44	4.44	-55.57
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=CC=C2CF)C(OC)=C1	REAL300007671715	0	46	-1.0	-63.13	384.23	5.87	-57.26
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=CC(C)=C2)C(OC)=C1	REAL300007671716	0	45	-1.0	-48.01	381.77	3.43	-44.58
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CC3CC2C3)C(OC)=C1	REAL300007671717	0	46	-1.0	-59.74	375.87	3.86	-55.88
CCOCCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671718	0	49	-1.0	-60.32	409.22	3.38	-56.94
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC2COCCO2)C(OC)=C1	REAL300007671719	0	48	-1.0	-63.08	396.86	2.12	-60.96
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CCN2C=NN=N2)C(OC)=C1	REAL300007671720	0	44	-1.0	-54.23	378.98	2.51	-51.72
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C(OC)=C1	REAL300007671721	0	53	-1.0	-58.90	438.99	7.12	-51.78
COCCC1(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)CC1	REAL300007671722	0	50	-1.0	-48.16	391.89	3.68	-44.48
CCN1N=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)=N1	REAL300007671723	0	45	-1.0	-56.29	390.68	1.77	-54.52
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)[C@H]2COC[C@H]2OC)C(OC)=C1	REAL300007671724	0	48	-1.0	-61.05	389.97	1.77	-59.28
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC(C)=CO2)C(OC)=C1	REAL300007671725	0	43	-1.0	-59.24	374.96	3.49	-55.75
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=C(C)O2)C(OC)=C1	REAL300007671726	0	43	-1.0	-60.06	374.95	3.65	-56.41
CCC1=NNC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671727	0	46	-1.0	-56.49	385.45	2.32	-54.17
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=C(Cl)OC=C2)C(OC)=C1	REAL300007671728	0	40	-1.0	-57.25	352.49	3.25	-54.00
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NN2C(C)C)C(OC)=C1	REAL300007671729	0	49	-1.0	-53.97	400.90	4.61	-49.36
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=NC=C(C)C=C2C)C(OC)=C1	REAL300007671730	0	48	-1.0	-53.98	394.09	5.15	-48.83
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NC=C2C)C(OC)=C1	REAL300007671731	0	45	-1.0	-57.64	374.80	3.94	-53.70
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCC(C#N)CC2)C(OC)=C1	REAL300007671732	0	49	-1.0	-44.48	403.56	4.29	-40.19
COC1=CC=NC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)=C1	REAL300007671733	0	46	-1.0	-61.26	395.90	2.23	-59.03
C=CCN(CC=C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=C(OC)C=C1OC	REAL300007671734	0	49	-1.0	-58.22	403.54	5.12	-53.10
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=C(OC)C=C2OC)N=C1	REAL300007671735	0	46	-1.0	-51.12	386.57	2.99	-48.13
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=NC=CC=C2C)C(OC)=C1	REAL300007671736	0	45	-1.0	-65.17	382.03	3.74	-61.43
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CC=NC(C)=C2)C(OC)=C1	REAL300007671737	0	45	-1.0	-47.43	383.25	3.39	-44.04
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)N2CCC(F)(F)C2)C(OC)=C1	REAL300007671738	0	45	-1.0	-55.36	380.89	3.87	-51.49
COC1=CC=C(C(CC(=O)[O-])NS(=O)(=O)C2=CN=CS2)C(OC)=C1	REAL300007671739	0	39	-1.0	-46.90	353.10	1.72	-45.18
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1	REAL300007671740	0	38	-1.0	-44.63	323.56	6.35	-38.28
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(F)=C1	REAL300007671741	0	38	-1.0	-52.43	335.81	6.75	-45.68
CC(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)=C1	REAL300007671742	0	43	-1.0	-61.38	370.67	7.09	-54.29
CCCCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1C	REAL300007671743	0	45	-1.0	-54.06	368.51	6.28	-47.78
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=CS1	REAL300007671744	0	35	-1.0	-43.39	315.57	5.48	-37.91
CCC(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)C=C1	REAL300007671745	0	50	-1.0	-54.36	407.90	9.35	-45.01
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)S1	REAL300007671746	0	38	-1.0	-55.51	341.45	6.47	-49.04
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)S1	REAL300007671747	0	35	-1.0	-40.83	332.60	6.09	-34.74
COC1=CC=C(C)C=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1C	REAL300007671748	0	45	-1.0	-48.55	362.83	7.15	-41.40
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)N1CCOCC1	REAL300007671749	0	41	-1.0	-53.24	323.89	3.56	-49.68
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007671750	0	44	-1.0	-58.95	388.66	4.23	-54.72
COC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)C=C1OC	REAL300007671751	0	49	-1.0	-57.40	390.86	6.95	-50.45
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300007671752	0	41	-1.0	-41.72	359.46	7.69	-34.03
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1	REAL300007671753	0	38	-1.0	-55.67	333.96	4.40	-51.27
CCN(CC)S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1C	REAL300007671754	0	42	-1.0	-54.45	331.15	5.69	-48.76
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)N(C)C1CCCCC1	REAL300007671755	0	49	-1.0	-55.46	372.37	7.30	-48.16
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1C	REAL300007671756	0	44	-1.0	-55.40	358.41	5.63	-49.77
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007671757	0	44	-1.0	-48.51	368.03	5.50	-43.01
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)C=C1	REAL300007671758	0	44	-1.0	-54.88	370.85	8.15	-46.73
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1Br	REAL300007671759	0	38	-1.0	-43.57	337.51	7.07	-36.50
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CC1=NC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)S1	REAL300007671970	0	40	-1.0	-45.35	349.62	4.94	-40.41
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007671971	0	41	-1.0	-48.22	346.02	8.03	-40.19
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)CC1CCCC1	REAL300007671972	0	44	-1.0	-55.87	354.46	7.17	-48.70
COC1=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)=CC=C1F	REAL300007671973	0	42	-1.0	-44.16	359.27	5.72	-38.44
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CSC=C1	REAL300007671974	0	35	-1.0	-42.38	315.06	5.29	-37.09
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007671975	0	48	-1.0	-55.89	403.60	10.10	-45.79
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)CC1CCCCC1	REAL300007671976	0	47	-1.0	-42.83	365.61	7.45	-35.38
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)=C1	REAL300007671977	0	46	-1.0	-51.67	382.04	7.76	-43.91
CNC(=O)C1=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)=CN1C	REAL300007671978	0	46	-1.0	-55.27	393.19	4.33	-50.94
COC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)C(C)=C1	REAL300007671979	0	48	-1.0	-53.83	381.86	7.76	-46.07
COC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)C=C1C	REAL300007671980	0	48	-1.0	-56.62	381.75	7.78	-48.84
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300007671981	0	46	-1.0	-54.68	369.87	7.78	-46.90
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007671982	0	43	-1.0	-49.78	366.76	7.14	-42.64
CCN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)C([N+](=O)[O-])=N1	REAL300007671983	0	43	-1.0	-54.36	374.51	6.89	-47.47
CCC(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)=C1	REAL300007671984	0	46	-1.0	-61.38	392.48	7.95	-53.43
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)N(C)C1CC1	REAL300007671985	0	40	-1.0	-54.14	325.39	5.21	-48.93
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007671986	0	48	-1.0	-53.89	414.78	8.32	-45.57
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007671987	0	41	-1.0	-57.52	352.17	5.57	-51.95
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300007671988	0	60	-1.0	-42.13	456.45	9.34	-32.79
CC1=CC=CC(CS(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2C)=C1	REAL300007671989	0	44	-1.0	-45.74	368.45	7.79	-37.95
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300007671990	0	41	-1.0	-43.79	353.45	7.19	-36.60
CC1=CC=CC=C1CS(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1C	REAL300007671991	0	44	-1.0	-57.16	365.54	8.07	-49.09
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1C	REAL300007671992	0	48	-1.0	-60.37	394.84	8.66	-51.71
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007671993	0	43	-1.0	-63.00	377.68	6.86	-56.14
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007671994	0	45	-1.0	-54.59	389.98	7.80	-46.79
COCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1C	REAL300007671995	0	38	-1.0	-53.28	325.01	3.51	-49.77
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007671996	0	48	-1.0	-57.78	375.79	9.73	-48.05
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007671997	0	43	-1.0	-53.48	365.37	5.98	-47.50
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007671998	0	46	-1.0	-56.11	386.93	7.65	-48.46
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007671999	0	44	-1.0	-43.86	359.66	2.51	-41.35
CC1=CC=CC=C1C(CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007672000	0	43	-1.0	-55.50	376.23	6.89	-48.61
COC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674046	0	34	-1.0	-57.23	289.16	1.53	-55.70
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674047	0	41	-1.0	-45.85	341.69	1.47	-44.38
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C	REAL300007674048	0	41	-1.0	-47.55	335.12	-0.89	-48.44
CC1=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=CC=C2C=C1	REAL300007674049	0	38	-1.0	-62.88	316.53	2.93	-59.95
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])CCOC1	REAL300007674050	0	38	-1.0	-50.46	314.23	3.66	-46.80
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)CCOC1	REAL300007674051	0	41	-1.0	-52.76	330.68	0.17	-52.59
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674052	0	44	-1.0	-42.08	372.66	2.61	-39.47
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674053	0	44	-1.0	-59.96	371.52	2.95	-57.01
CCCN1C=NC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674054	0	36	-1.0	-49.44	298.19	3.04	-46.40
COCCOCCOCCS(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674055	0	44	-1.0	-45.71	358.00	-0.93	-46.64
CC(COC1CCCC1)CS(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674056	0	46	-1.0	-41.88	349.77	3.17	-38.71
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674057	0	37	-1.0	-42.21	311.27	2.43	-39.78
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCOC3)N=C2)CCOC1	REAL300007674058	0	38	-1.0	-43.42	302.46	-0.29	-43.71
COC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674059	0	34	-1.0	-51.26	304.15	1.63	-49.63
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)CCOC1	REAL300007674060	0	34	-1.0	-41.26	294.88	1.63	-39.63
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC=C1[N+](=O)[O-]	REAL300007674061	0	36	-1.0	-41.83	298.40	2.90	-38.93
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674062	0	36	-1.0	-50.51	309.48	3.55	-46.96
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674063	0	36	-1.0	-55.05	308.91	3.55	-51.50
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC=C1C(F)(F)F	REAL300007674064	0	36	-1.0	-40.79	295.47	3.59	-37.20
CC(C)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674065	0	39	-1.0	-56.20	307.83	3.84	-52.36
O=C([O-])C1(NS(=O)(=O)CCCN2CCOCC2)CCOC1	REAL300007674066	0	42	-1.0	-43.12	323.21	-1.27	-44.39
CCOC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674067	0	37	-1.0	-45.04	294.27	2.37	-42.67
COCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=N1	REAL300007674068	0	37	-1.0	-49.37	313.65	-0.74	-50.11
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)CCOC1	REAL300007674069	0	37	-1.0	-54.09	317.61	2.28	-51.81
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)CCOC1	REAL300007674070	0	38	-1.0	-45.32	323.00	3.93	-41.39
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)CCOC1	REAL300007674071	0	35	-1.0	-50.89	294.78	2.05	-48.84
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Br)=C2)CCOC1	REAL300007674072	0	33	-1.0	-42.89	294.58	3.10	-39.79
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2Br)CCOC1	REAL300007674073	0	33	-1.0	-44.06	290.25	3.05	-41.01
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)CCOC1	REAL300007674074	0	37	-1.0	-72.58	317.97	-0.43	-73.01
CC1=CC(Br)=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674075	0	33	-1.0	-51.92	296.06	2.97	-48.95
CC1=C(Br)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674076	0	33	-1.0	-51.33	286.96	3.11	-48.22
COCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674077	0	37	-1.0	-53.18	300.70	1.83	-51.35
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC=C1Br	REAL300007674078	0	34	-1.0	-41.78	292.80	2.12	-39.66
COC1=CC(OC)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1Cl	REAL300007674079	0	38	-1.0	-45.09	327.90	0.86	-44.23
O=C([O-])C1(NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)CCOC1	REAL300007674080	0	33	-1.0	-50.07	297.85	0.71	-49.36
O=C([O-])C1(NS(=O)(=O)C2=CN(CC(F)F)N=C2)CCOC1	REAL300007674081	0	33	-1.0	-50.06	292.96	0.50	-49.56
CC1(C)CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCOC3)=CC=C2O1	REAL300007674082	0	41	-1.0	-43.81	320.51	3.38	-40.43
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)CCOC1	REAL300007674083	0	33	-1.0	-52.35	294.49	0.83	-51.52
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674084	0	41	-1.0	-41.97	311.20	-0.93	-42.90
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674085	0	42	-1.0	-55.96	357.20	0.89	-55.07
CSC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674086	0	34	-1.0	-57.78	290.36	2.84	-54.94
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1F	REAL300007674087	0	38	-1.0	-46.53	321.01	-1.09	-47.62
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674088	0	44	-1.0	-53.57	372.68	-0.53	-54.10
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674089	0	41	-1.0	-65.31	335.40	1.87	-63.44
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1F	REAL300007674090	0	41	-1.0	-45.36	342.47	-0.19	-45.55
CCC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674091	0	39	-1.0	-43.39	316.17	3.92	-39.47
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CS2)CCOC1	REAL300007674092	0	33	-1.0	-44.62	284.53	2.77	-41.85
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)CCOC1	REAL300007674093	0	45	-1.0	-44.73	356.64	2.59	-42.14
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)CCOC1	REAL300007674094	0	42	-1.0	-64.91	345.20	0.97	-63.94
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674095	0	39	-1.0	-64.95	336.38	-0.16	-65.11
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674096	0	40	-1.0	-54.22	339.52	-1.16	-55.38
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C	REAL300007674097	0	39	-1.0	-44.07	311.70	3.69	-40.38
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1Br	REAL300007674098	0	37	-1.0	-43.59	314.64	3.03	-40.56
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C1=CC=CC=C1	REAL300007674099	0	44	-1.0	-56.38	361.74	4.74	-51.64
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)CCOC1	REAL300007674100	0	34	-1.0	-40.65	305.21	2.07	-38.58
COC1=CC=C(Br)C(CS(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674101	0	37	-1.0	-44.60	319.60	2.34	-42.26
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=C2S1	REAL300007674102	0	44	-1.0	-50.76	366.31	3.65	-47.11
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674103	0	37	-1.0	-57.07	322.79	2.64	-54.43
CC(C)N1N=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCOC3)=CC=C21	REAL300007674104	0	42	-1.0	-52.35	343.76	3.24	-49.11
CCS(=O)(=O)NCCS(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674105	0	37	-1.0	-52.08	312.90	-3.08	-55.16
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)OC2=CC=C(F)C=C12	REAL300007674106	0	36	-1.0	-41.69	303.49	4.18	-37.51
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)CCOC1	REAL300007674107	0	33	-1.0	-50.74	310.28	3.61	-47.13
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=CC(Cl)=CC=C2S1	REAL300007674108	0	36	-1.0	-55.47	320.33	4.47	-51.00
O=C([O-])C1(NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)CCOC1	REAL300007674109	0	33	-1.0	-52.04	308.68	3.63	-48.41
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)CCOC1	REAL300007674110	0	36	-1.0	-57.13	311.66	4.63	-52.50
O=C([O-])C1(NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)CCOC1	REAL300007674111	0	36	-1.0	-54.26	314.26	3.51	-50.75
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)CCOC1	REAL300007674112	0	41	-1.0	-44.38	330.67	3.10	-41.28
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)CCOC1	REAL300007674113	0	44	-1.0	-56.93	370.06	5.00	-51.93
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674114	0	43	-1.0	-55.99	360.10	3.20	-52.79
O=C([O-])C1(NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)CCOC1	REAL300007674115	0	41	-1.0	-51.04	349.05	-0.76	-51.80
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=CC=CC(C)=C2S1	REAL300007674116	0	39	-1.0	-49.91	318.02	4.50	-45.41
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1N(C)C	REAL300007674117	0	41	-1.0	-55.37	327.98	2.36	-53.01
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC=C2Br)CCOC1	REAL300007674118	0	36	-1.0	-45.09	309.38	4.07	-41.02
O=C([O-])C1(NS(=O)(=O)C2=C3OCCCN3N=C2)CCOC1	REAL300007674119	0	35	-1.0	-58.04	291.43	-1.38	-59.42
O=C([O-])C1(NS(=O)(=O)CCOCC2CCCC2)CCOC1	REAL300007674120	0	43	-1.0	-41.52	334.26	2.22	-39.30
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1Cl	REAL300007674121	0	37	-1.0	-55.55	314.55	2.45	-53.10
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674122	0	39	-1.0	-52.85	333.98	-0.01	-52.86
CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1Cl	REAL300007674123	0	34	-1.0	-53.15	308.74	3.15	-50.00
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674124	0	42	-1.0	-54.63	331.66	2.15	-52.48
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)CCOC1	REAL300007674125	0	38	-1.0	-45.70	324.74	0.24	-45.46
CCC1=NOC2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=C12	REAL300007674126	0	37	-1.0	-49.87	314.59	-0.65	-50.52
O=C([O-])C1(NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)CCOC1	REAL300007674127	0	41	-1.0	-41.57	339.54	1.96	-39.61
CN1N=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCOC3)=CN=C21	REAL300007674128	0	35	-1.0	-43.33	287.65	1.12	-42.21
CCC1=CC(CC)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(CC)=C1	REAL300007674129	0	48	-1.0	-51.35	347.13	6.12	-45.23
O=C([O-])C1(NS(=O)(=O)C2=CN3CCCCC3=N2)CCOC1	REAL300007674130	0	37	-1.0	-58.61	301.91	1.89	-56.72
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)CCOC1	REAL300007674131	0	36	-1.0	-48.50	321.95	-0.28	-48.78
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)CCOC1	REAL300007674132	0	39	-1.0	-63.13	319.38	5.50	-57.63
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C)=C1F	REAL300007674133	0	37	-1.0	-51.51	304.96	1.88	-49.63
CC1(CS(=O)(=O)NC2(C(=O)[O-])CCOC2)CCCCC1	REAL300007674134	0	42	-1.0	-42.09	299.44	3.23	-38.86
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)CCOC1	REAL300007674135	0	39	-1.0	-43.63	307.55	3.61	-40.02
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)CCOC1	REAL300007674137	0	38	-1.0	-49.10	322.80	2.88	-46.22
COCC1=CC(Cl)=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674138	0	37	-1.0	-52.30	325.16	1.94	-50.36
CC1=CC=C(CS(=O)(=O)NC2(C(=O)[O-])CCOC2)C(F)=C1	REAL300007674139	0	36	-1.0	-45.16	300.00	3.19	-41.97
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)CCOC1	REAL300007674141	0	30	-1.0	-49.32	285.12	1.98	-47.34
O=C([O-])C1(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)CCOC1	REAL300007674142	0	43	-1.0	-44.11	336.80	4.99	-39.12
CC(C)(C)C1=CC(CS(=O)(=O)NC2(C(=O)[O-])CCOC2)=NO1	REAL300007674143	0	41	-1.0	-44.80	331.40	2.49	-42.31
O=C([O-])C1(NS(=O)(=O)CC2CCCS(=O)(=O)C2)CCOC1	REAL300007674144	0	39	-1.0	-50.49	311.49	-1.15	-51.64
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCOC1	REAL300007674145	0	33	-1.0	-41.37	285.40	3.39	-37.98
CC1=C(CCS(=O)(=O)NC2(C(=O)[O-])CCOC2)SC=N1	REAL300007674146	0	35	-1.0	-45.70	298.28	1.42	-44.28
O=C([O-])C1(NS(=O)(=O)CC23CCC(CC2)C3)CCOC1	REAL300007674147	0	40	-1.0	-45.92	297.86	3.58	-42.34
COC1=CC=C2C=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)CCC2=C1	REAL300007674148	0	42	-1.0	-43.33	330.29	3.86	-39.47
O=C([O-])C1(NS(=O)(=O)CC23CCC(CC2)CC3)CCOC1	REAL300007674149	0	43	-1.0	-45.92	306.38	4.16	-41.76
CC(C)(CCS(=O)(=O)NC1(C(=O)[O-])CCOC1)S(C)(=O)=O	REAL300007674150	0	41	-1.0	-54.02	322.77	-1.13	-55.15
O=C([O-])C1(NS(=O)(=O)CC2CCCCC2(F)F)CCOC1	REAL300007674151	0	39	-1.0	-42.88	302.83	2.94	-39.94
O=C([O-])C1(NS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CCOC1	REAL300007674152	0	37	-1.0	-46.71	292.96	4.24	-42.47
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1[N+](=O)[O-]	REAL300007674153	0	38	-1.0	-44.42	303.61	3.89	-40.53
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C=C2)CCOC1	REAL300007674154	0	30	-1.0	-49.04	269.80	2.23	-46.81
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Br)C=C2)CCOC1	REAL300007674155	0	30	-1.0	-48.87	274.37	2.33	-46.54
O=C([O-])C1(NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)CCOC1	REAL300007674156	0	32	-1.0	-46.91	281.49	2.40	-44.51
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CCOC1	REAL300007674157	0	36	-1.0	-45.50	288.77	4.41	-41.09
O=C([O-])C1(NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)CCOC1	REAL300007674158	0	32	-1.0	-44.51	270.01	2.76	-41.75
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674159	0	35	-1.0	-58.77	298.65	3.21	-55.56
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674160	0	34	-1.0	-51.77	283.02	0.96	-50.81
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCOC1	REAL300007674161	0	32	-1.0	-58.95	272.00	3.13	-55.82
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674162	0	37	-1.0	-56.48	326.46	2.97	-53.51
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674163	0	37	-1.0	-51.26	304.60	1.96	-49.30
CC1=CC(C)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1C	REAL300007674164	0	42	-1.0	-50.93	311.38	4.17	-46.76
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C)=C1	REAL300007674165	0	39	-1.0	-50.41	298.90	3.75	-46.66
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674166	0	45	-1.0	-56.43	346.63	4.86	-51.57
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)CCOC1	REAL300007674167	0	33	-1.0	-42.74	277.63	3.01	-39.73
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)CCOC1	REAL300007674168	0	33	-1.0	-54.35	278.97	3.24	-51.11
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2)CCOC1	REAL300007674169	0	30	-1.0	-42.52	259.27	2.65	-39.87
CC(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674170	0	35	-1.0	-51.37	293.99	2.09	-49.28
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1[N+](=O)[O-]	REAL300007674171	0	36	-1.0	-45.94	297.28	2.84	-43.10
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674172	0	42	-1.0	-52.55	329.74	4.00	-48.55
CC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674173	0	39	-1.0	-52.42	313.50	3.65	-48.77
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674174	0	41	-1.0	-53.65	348.87	-0.28	-53.93
CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674175	0	39	-1.0	-52.74	317.93	3.89	-48.85
COC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674176	0	34	-1.0	-57.99	283.12	1.46	-56.53
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1Br	REAL300007674177	0	34	-1.0	-53.57	303.44	1.64	-51.93
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC=C1Br	REAL300007674178	0	33	-1.0	-41.56	282.39	3.32	-38.24
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=C2)=C1	REAL300007674179	0	44	-1.0	-50.59	364.14	5.28	-45.31
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)CCOC1	REAL300007674180	0	34	-1.0	-49.47	299.52	1.46	-48.01
CC1=C(C)C(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C)=C1C	REAL300007674181	0	45	-1.0	-44.57	324.30	5.58	-38.99
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)CCOC1	REAL300007674182	0	39	-1.0	-44.44	305.69	2.09	-42.35
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674183	0	46	-1.0	-43.97	354.91	3.62	-40.35
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1[N+](=O)[O-]	REAL300007674184	0	35	-1.0	-45.99	288.03	3.35	-42.64
COC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674185	0	34	-1.0	-56.28	304.02	2.09	-54.19
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674186	0	48	-1.0	-42.10	345.95	5.68	-36.42
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)CCOC1	REAL300007674187	0	33	-1.0	-48.45	292.31	2.69	-45.76
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCCCC3=C2)CCOC1	REAL300007674188	0	40	-1.0	-44.29	303.39	4.53	-39.76
COC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674189	0	38	-1.0	-60.52	312.20	0.75	-59.77
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1OC	REAL300007674190	0	38	-1.0	-53.44	312.26	0.89	-52.55
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCCC3=C2)CCOC1	REAL300007674191	0	37	-1.0	-54.38	299.10	3.59	-50.79
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3CC2)CCOC1	REAL300007674192	0	38	-1.0	-44.15	297.89	4.50	-39.65
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCC3=C2)CCOC1	REAL300007674193	0	35	-1.0	-44.03	278.97	2.00	-42.03
CC(C)CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674194	0	45	-1.0	-52.62	356.99	5.18	-47.44
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1OCC	REAL300007674195	0	44	-1.0	-45.00	345.31	3.19	-41.81
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674196	0	35	-1.0	-55.25	307.72	-3.37	-58.62
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC([N+](=O)[O-])=C1C	REAL300007674197	0	38	-1.0	-58.19	314.68	3.40	-54.79
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1C	REAL300007674198	0	38	-1.0	-58.10	313.82	3.83	-54.27
CC1=CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCOC3)=C2N=C1	REAL300007674199	0	38	-1.0	-61.58	315.80	3.01	-58.57
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C([N+](=O)[O-])=C1	REAL300007674200	0	36	-1.0	-55.16	301.36	2.44	-52.72
COC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674201	0	34	-1.0	-39.64	295.57	1.81	-37.83
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674202	0	35	-1.0	-49.78	294.04	-2.84	-52.62
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)CCOC1	REAL300007674203	0	42	-1.0	-50.48	351.90	-0.01	-50.49
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=CC=CN=C12	REAL300007674204	0	38	-1.0	-55.41	310.24	3.06	-52.35
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C	REAL300007674205	0	38	-1.0	-57.19	310.54	4.46	-52.73
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674206	0	41	-1.0	-48.43	335.43	0.20	-48.23
O=C([O-])C1(NS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)CCOC1	REAL300007674207	0	42	-1.0	-52.61	330.47	1.31	-51.30
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674208	0	36	-1.0	-65.17	314.91	-1.06	-66.23
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)CCOC1	REAL300007674209	0	40	-1.0	-48.19	325.01	5.20	-42.99
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=CC=C32)CCOC1	REAL300007674210	0	36	-1.0	-57.67	295.37	4.09	-53.58
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)CCOC1	REAL300007674211	0	40	-1.0	-53.12	327.42	5.15	-47.97
CC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674212	0	33	-1.0	-55.32	276.82	2.60	-52.72
CN(C)C1=CC=CC2=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=CC=C12	REAL300007674213	0	44	-1.0	-55.25	348.36	3.96	-51.29
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NSN=C32)CCOC1	REAL300007674214	0	31	-1.0	-55.31	279.08	0.07	-55.24
COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674215	0	34	-1.0	-56.48	299.45	1.99	-54.49
COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674216	0	34	-1.0	-45.25	272.42	1.44	-43.81
CCC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674217	0	45	-1.0	-52.60	343.99	4.47	-48.13
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1Cl	REAL300007674218	0	33	-1.0	-49.68	289.02	2.80	-46.88
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674219	0	40	-1.0	-52.26	323.27	2.57	-49.69
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(Cl)=C2)CCOC1	REAL300007674220	0	33	-1.0	-42.88	290.01	2.99	-39.89
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NON=C32)CCOC1	REAL300007674221	0	31	-1.0	-53.43	270.83	0.47	-52.96
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CCOC1	REAL300007674222	0	35	-1.0	-50.46	310.97	4.18	-46.28
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=CN=C32)CCOC1	REAL300007674223	0	35	-1.0	-62.08	294.39	2.37	-59.71
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)CCOC1	REAL300007674224	0	41	-1.0	-52.90	358.97	5.08	-47.82
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674225	0	36	-1.0	-38.05	307.11	1.99	-36.06
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1F	REAL300007674226	0	34	-1.0	-54.64	289.24	1.05	-53.59
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1F	REAL300007674227	0	33	-1.0	-49.36	280.28	2.39	-46.97
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCOC1	REAL300007674228	0	41	-1.0	-51.21	358.96	5.04	-46.17
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=C2)C=C1	REAL300007674229	0	45	-1.0	-53.05	371.73	3.82	-49.23
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C(C)C)=C1	REAL300007674230	0	57	-1.0	-54.83	407.76	7.24	-47.59
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=CC=CC=C12	REAL300007674231	0	46	-1.0	-47.89	362.95	4.37	-43.52
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)CCOC1	REAL300007674232	0	33	-1.0	-41.74	305.20	3.45	-38.29
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=CC=CC=C12	REAL300007674233	0	40	-1.0	-46.16	322.76	2.79	-43.37
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674234	0	35	-1.0	-49.24	298.64	3.20	-46.04
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674235	0	35	-1.0	-38.18	290.27	2.50	-35.68
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674236	0	38	-1.0	-59.04	313.55	4.19	-54.85
CC(C)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674237	0	42	-1.0	-52.77	334.69	4.36	-48.41
COCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674238	0	40	-1.0	-52.82	330.10	2.19	-50.63
CC1=CC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674239	0	33	-1.0	-54.49	287.15	3.06	-51.43
COC1=C(C)C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C	REAL300007674240	0	40	-1.0	-51.44	326.94	2.60	-48.84
CC(C)CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674241	0	46	-1.0	-50.55	365.17	4.06	-46.49
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CCOC1	REAL300007674242	0	44	-1.0	-51.10	348.95	3.93	-47.17
CC(C)COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674243	0	43	-1.0	-50.87	346.20	3.46	-47.41
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674244	0	40	-1.0	-50.86	326.10	2.76	-48.10
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1Cl	REAL300007674245	0	34	-1.0	-53.67	299.05	1.53	-52.14
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CCOC1	REAL300007674246	0	34	-1.0	-43.46	298.15	2.28	-41.18
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C	REAL300007674247	0	37	-1.0	-44.28	292.44	2.19	-42.09
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC=C1OC(C)C	REAL300007674248	0	43	-1.0	-43.87	332.23	3.75	-40.12
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C)=C1	REAL300007674249	0	37	-1.0	-53.93	299.89	1.83	-52.10
COCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674250	0	41	-1.0	-52.95	338.23	1.23	-51.72
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2F)CCOC1	REAL300007674251	0	33	-1.0	-45.70	278.63	2.53	-43.17
CC1=CC(Br)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674252	0	33	-1.0	-51.13	291.71	3.15	-47.98
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1C	REAL300007674253	0	38	-1.0	-53.75	294.44	4.74	-49.01
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674254	0	39	-1.0	-65.38	331.12	0.06	-65.32
O=C([O-])C1(NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)CCOC1	REAL300007674255	0	42	-1.0	-53.43	362.28	-0.43	-53.86
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674256	0	38	-1.0	-54.33	330.15	-2.16	-56.49
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674257	0	38	-1.0	-64.86	315.47	-0.51	-65.37
CC1=NC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)S1	REAL300007674258	0	32	-1.0	-53.78	278.64	0.25	-53.53
O=C([O-])C1(NS(=O)(=O)C2=CSC3=CC=CC=C23)CCOC1	REAL300007674259	0	33	-1.0	-53.36	291.10	3.16	-50.20
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC=C1F	REAL300007674260	0	34	-1.0	-42.15	278.60	1.53	-40.62
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CCOC1	REAL300007674261	0	40	-1.0	-45.56	314.20	5.45	-40.11
O=C([O-])C1(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CCOC1	REAL300007674262	0	33	-1.0	-41.02	306.75	3.49	-37.53
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)S2)=CS1	REAL300007674263	0	36	-1.0	-44.68	324.03	2.60	-42.08
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)CCOC1	REAL300007674264	0	50	-1.0	-50.59	387.83	5.35	-45.24
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674265	0	38	-1.0	-49.64	314.88	2.44	-47.20
CNC(=O)C1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CN1C	REAL300007674266	0	38	-1.0	-46.64	308.86	-0.25	-46.89
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C)=C1	REAL300007674267	0	40	-1.0	-41.91	304.69	2.92	-38.99
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CCOC1	REAL300007674268	0	41	-1.0	-45.12	327.22	6.24	-38.88
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C	REAL300007674269	0	40	-1.0	-55.17	319.42	2.57	-52.60
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=CC=CN=C2C=C1	REAL300007674270	0	38	-1.0	-52.83	296.03	2.77	-50.06
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CN=CC=C32)CCOC1	REAL300007674271	0	35	-1.0	-42.66	288.47	1.65	-41.01
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC1(C(=O)[O-])CCOC1)=C2	REAL300007674272	0	43	-1.0	-54.72	353.14	5.54	-49.18
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C([N+](=O)[O-])=N1	REAL300007674273	0	35	-1.0	-53.19	304.59	2.55	-50.64
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)CCOC1	REAL300007674274	0	37	-1.0	-51.51	324.17	2.42	-49.09
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CCOC1	REAL300007674275	0	44	-1.0	-52.01	364.51	5.01	-47.00
CCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674276	0	38	-1.0	-50.80	304.62	3.39	-47.41
O=C([O-])C1(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CCOC1	REAL300007674277	0	40	-1.0	-50.03	339.87	3.21	-46.82
O=C([O-])C1(NS(=O)(=O)C2=CN=C3NC=CC=C23)CCOC1	REAL300007674278	0	33	-1.0	-57.06	275.43	1.18	-55.88
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674279	0	38	-1.0	-59.42	326.66	-1.58	-61.00
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(F)=C2)CCOC1	REAL300007674280	0	33	-1.0	-43.34	279.69	2.55	-40.79
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=CC=CC=C12	REAL300007674281	0	43	-1.0	-46.17	344.61	3.71	-42.46
CCOC1=CC=C(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674282	0	40	-1.0	-43.52	322.15	2.89	-40.63
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CCOC1	REAL300007674283	0	35	-1.0	-59.39	301.84	1.85	-57.54
O=C([O-])C1(NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CCOC1	REAL300007674284	0	37	-1.0	-53.29	314.05	2.75	-50.54
CCOCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674285	0	44	-1.0	-52.88	360.08	2.20	-50.68
CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674286	0	46	-1.0	-50.63	369.10	4.32	-46.31
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2CCCC3)CCOC1	REAL300007674287	0	40	-1.0	-55.57	308.84	4.47	-51.10
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CCOC1	REAL300007674288	0	36	-1.0	-44.94	294.25	3.78	-41.16
O=C([O-])C1(NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)CCOC1	REAL300007674289	0	34	-1.0	-50.56	309.91	3.14	-47.42
O=C([O-])C1(NS(=O)(=O)C2=CC=C3COCC3=C2)CCOC1	REAL300007674290	0	35	-1.0	-43.69	279.01	1.42	-42.27
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)CCOC1	REAL300007674291	0	38	-1.0	-50.11	313.17	3.02	-47.09
O=C([O-])C1(NS(=O)(=O)C2CCS(=O)(=O)CC2)CCOC1	REAL300007674292	0	36	-1.0	-60.99	299.54	-1.72	-62.71
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CCOC1	REAL300007674293	0	35	-1.0	-48.56	291.29	2.32	-46.24
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C)=C1	REAL300007674294	0	40	-1.0	-53.47	321.46	2.75	-50.72
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674295	0	38	-1.0	-50.67	319.50	-1.68	-52.35
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2OC(F)F)CCOC1	REAL300007674296	0	34	-1.0	-56.19	292.86	1.73	-54.46
CSC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674297	0	34	-1.0	-51.21	293.72	2.70	-48.51
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CCOC1	REAL300007674298	0	36	-1.0	-43.38	312.01	3.47	-39.91
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)N=C1C	REAL300007674299	0	36	-1.0	-58.51	301.65	1.65	-56.86
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCO3)CCOC1	REAL300007674300	0	36	-1.0	-57.03	298.19	1.33	-55.70
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=NC=CC=C32)CCOC1	REAL300007674301	0	35	-1.0	-55.00	290.51	2.20	-52.80
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)CCOC1	REAL300007674302	0	42	-1.0	-44.79	340.04	4.14	-40.65
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C(F)(F)F	REAL300007674303	0	36	-1.0	-42.56	295.34	3.61	-38.95
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CCOC1	REAL300007674304	0	36	-1.0	-52.82	328.85	2.63	-50.19
O=C([O-])C1(NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CCOC1	REAL300007674305	0	39	-1.0	-55.42	318.18	3.30	-52.12
CC1=NN(C)C2=NC=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=C12	REAL300007674306	0	38	-1.0	-43.03	309.49	1.72	-41.31
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674307	0	37	-1.0	-45.18	318.18	2.35	-42.83
COCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674308	0	37	-1.0	-45.50	296.10	1.81	-43.69
CC1(C)CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCOC3)=C2O1	REAL300007674309	0	41	-1.0	-59.25	332.83	2.94	-56.31
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC=C2Cl)CCOC1	REAL300007674310	0	33	-1.0	-44.29	286.92	2.94	-41.35
O=C([O-])C1(NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)CCOC1	REAL300007674311	0	42	-1.0	-69.13	350.12	0.19	-68.94
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)CCOC1	REAL300007674312	0	37	-1.0	-45.35	318.80	2.68	-42.67
O=C([O-])C1(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CCOC1	REAL300007674313	0	38	-1.0	-55.68	315.86	2.36	-53.32
O=C([O-])C1(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CCOC1	REAL300007674314	0	33	-1.0	-44.49	299.15	3.45	-41.04
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCOC3)=CC=C2O1	REAL300007674315	0	38	-1.0	-43.63	300.11	2.75	-40.88
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674316	0	42	-1.0	-51.71	312.28	5.05	-46.66
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674317	0	42	-1.0	-58.40	343.28	0.63	-57.77
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CCOC1	REAL300007674318	0	41	-1.0	-51.51	359.44	5.13	-46.38
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CCOC1	REAL300007674319	0	36	-1.0	-54.45	322.45	2.56	-51.89
O=C([O-])C1(NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)CCOC1	REAL300007674320	0	36	-1.0	-52.57	339.17	3.08	-49.49
CC1=NC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=C2)=CO1	REAL300007674321	0	39	-1.0	-54.03	329.95	0.73	-53.30
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C(F)(F)F)=N1	REAL300007674322	0	33	-1.0	-51.22	294.14	0.61	-50.61
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3O2)CCOC1	REAL300007674323	0	33	-1.0	-44.22	278.24	3.32	-40.90
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCOC3=C2)CCOC1	REAL300007674324	0	33	-1.0	-49.48	279.60	0.34	-49.14
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=N1	REAL300007674325	0	33	-1.0	-42.17	270.30	-1.19	-43.36
O=C([O-])C1(NS(=O)(=O)C2=CN=C3CCCN32)CCOC1	REAL300007674326	0	34	-1.0	-49.55	275.79	1.28	-48.27
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCCC3=C2)CCOC1	REAL300007674327	0	38	-1.0	-44.37	294.34	2.67	-41.70
O=C([O-])C1(NS(=O)(=O)C2CC3=CC=CC=C3C2)CCOC1	REAL300007674328	0	37	-1.0	-55.49	301.80	3.70	-51.79
CC1=CC=C(N2C=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=N2)C=C1	REAL300007674329	0	40	-1.0	-44.59	326.07	3.75	-40.84
CC1CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCOC3)=CC(Cl)=C2O1	REAL300007674330	0	38	-1.0	-43.25	316.68	3.24	-40.01
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC=C1[N+](=O)[O-]	REAL300007674331	0	35	-1.0	-40.44	287.07	3.33	-37.11
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=N1	REAL300007674332	0	41	-1.0	-56.93	341.23	2.39	-54.54
O=C([O-])C1(NS(=O)(=O)C2=CN=C3C=CSC3=C2)CCOC1	REAL300007674333	0	32	-1.0	-50.60	285.58	1.17	-49.43
CN(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674334	0	38	-1.0	-54.74	306.05	2.10	-52.64
CC1=CC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=C2C=C1	REAL300007674335	0	39	-1.0	-45.27	310.14	5.06	-40.21
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)SC=C1	REAL300007674336	0	31	-1.0	-57.96	272.95	0.68	-57.28
CN(C)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674337	0	38	-1.0	-44.91	290.90	2.39	-42.52
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCC3)CCOC1	REAL300007674338	0	35	-1.0	-58.23	290.64	1.58	-56.65
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=CC=CC=C32)CCOC1	REAL300007674339	0	35	-1.0	-46.82	296.63	1.82	-45.00
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCOC3=C2)CCOC1	REAL300007674340	0	35	-1.0	-57.73	289.36	1.53	-56.20
O=C([O-])C1(NS(=O)(=O)CCC2=CC=C(Cl)C=C2)CCOC1	REAL300007674341	0	36	-1.0	-42.20	311.51	3.77	-38.43
CN1CCCC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=C21	REAL300007674342	0	42	-1.0	-56.75	327.70	2.24	-54.51
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CCOC1	REAL300007674343	0	32	-1.0	-40.80	278.64	1.43	-39.37
COC1=CC=CC(OC)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674344	0	38	-1.0	-60.87	307.73	1.93	-58.94
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674345	0	38	-1.0	-38.54	311.59	3.19	-35.35
CC1=CC=C(C)C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1[N+](=O)[O-]	REAL300007674346	0	38	-1.0	-67.72	308.55	4.63	-63.09
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1[N+](=O)[O-]	REAL300007674347	0	38	-1.0	-59.39	314.68	3.68	-55.71
COC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674348	0	40	-1.0	-43.85	324.29	2.55	-41.30
COC1=CN=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674349	0	33	-1.0	-51.90	278.13	-0.84	-52.74
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)S1	REAL300007674350	0	39	-1.0	-43.50	317.52	3.70	-39.80
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CC3)C=C2)CCOC1	REAL300007674351	0	37	-1.0	-52.74	302.78	3.79	-48.95
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC(OC)=C1	REAL300007674352	0	38	-1.0	-55.32	312.24	0.34	-54.98
O=C([O-])C1(NS(=O)(=O)CCC2CCCCC2)CCOC1	REAL300007674353	0	42	-1.0	-44.68	314.65	3.83	-40.85
CC1=CC=C(CCS(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674354	0	39	-1.0	-42.75	316.19	3.93	-38.82
CC1=CC2=C(C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1)OCO2	REAL300007674355	0	36	-1.0	-55.50	296.15	1.19	-54.31
O=C([O-])C1(NS(=O)(=O)C2=C3OC=CC3=CC=C2)CCOC1	REAL300007674356	0	33	-1.0	-57.55	282.26	2.07	-55.48
COC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC=C1Cl	REAL300007674357	0	34	-1.0	-41.93	288.40	2.00	-39.93
CN1C=NC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCOC3)=CC=C21	REAL300007674358	0	36	-1.0	-62.94	301.83	3.04	-59.90
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=NC=CC=C2C=C1	REAL300007674359	0	38	-1.0	-65.23	306.23	3.50	-61.73
CC1=NC2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=C2O1	REAL300007674360	0	35	-1.0	-51.17	296.71	-0.62	-51.79
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1CC	REAL300007674361	0	42	-1.0	-44.55	319.94	4.70	-39.85
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674362	0	38	-1.0	-39.04	297.98	4.03	-35.01
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674363	0	40	-1.0	-44.97	309.37	4.21	-40.76
CC1=C(C)SC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674364	0	33	-1.0	-44.11	278.16	2.48	-41.63
NC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674365	0	31	-1.0	-50.41	276.18	-0.35	-50.76
CCC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)S1	REAL300007674366	0	32	-1.0	-49.84	282.43	0.38	-49.46
CN(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=N1	REAL300007674367	0	37	-1.0	-45.14	291.66	1.95	-43.19
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)S1	REAL300007674368	0	33	-1.0	-44.73	284.74	2.74	-41.99
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CCOC1	REAL300007674369	0	36	-1.0	-60.52	304.91	3.76	-56.76
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCO3)CCOC1	REAL300007674370	0	33	-1.0	-42.60	280.45	-0.14	-42.74
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC(C)=C1F	REAL300007674371	0	36	-1.0	-49.09	300.59	3.01	-46.08
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CCOC1	REAL300007674372	0	37	-1.0	-62.13	309.56	1.43	-60.70
O=C([O-])C1(NS(=O)(=O)CCCOCC2=CC=CC=C2)CCOC1	REAL300007674373	0	43	-1.0	-44.39	350.30	3.31	-41.08
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=CC(F)=C23)CCOC1	REAL300007674374	0	34	-1.0	-45.75	289.83	1.18	-44.57
O=C([O-])C1(NS(=O)(=O)C2=C3N=CSC3=CC=C2)CCOC1	REAL300007674375	0	32	-1.0	-58.96	286.42	1.10	-57.86
CC1=NC(CS(=O)(=O)NC2(C(=O)[O-])CCOC2)=CS1	REAL300007674376	0	32	-1.0	-45.40	279.91	0.19	-45.21
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(Cl)C=C2)CCOC1	REAL300007674377	0	33	-1.0	-44.93	289.54	3.40	-41.53
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC=C1Cl	REAL300007674378	0	33	-1.0	-41.61	278.35	3.24	-38.37
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CCOC1	REAL300007674379	0	36	-1.0	-65.40	301.68	2.67	-62.73
CC1=CSC(C2=CC=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=C2)=N1	REAL300007674380	0	39	-1.0	-53.30	339.79	3.16	-50.14
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCC3)CCOC1	REAL300007674381	0	38	-1.0	-58.95	307.25	2.90	-56.05
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CCOC1	REAL300007674382	0	37	-1.0	-60.31	318.68	-0.46	-60.77
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)CCOC1	REAL300007674383	0	39	-1.0	-55.38	316.15	2.08	-53.30
O=C([O-])C1(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)CCOC1	REAL300007674384	0	33	-1.0	-42.44	293.20	3.00	-39.44
CCCCCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674385	0	55	-1.0	-50.69	433.59	6.66	-44.03
CCC(C)OC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674386	0	43	-1.0	-44.92	332.90	3.81	-41.11
COC(CS(=O)(=O)NC1(C(=O)[O-])CCOC1)C1CCCC1	REAL300007674387	0	43	-1.0	-45.34	321.54	2.52	-42.82
COC(CS(=O)(=O)NC1(C(=O)[O-])CCOC1)C1CCCCC1	REAL300007674388	0	46	-1.0	-44.98	337.95	3.05	-41.93
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)CCOC1	REAL300007674389	0	44	-1.0	-45.37	360.36	5.50	-39.87
CCOC(CS(=O)(=O)NC1(C(=O)[O-])CCOC1)C1CC1	REAL300007674390	0	40	-1.0	-46.16	314.32	2.34	-43.82
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C(C)C	REAL300007674391	0	49	-1.0	-43.53	374.34	5.19	-38.34
CCC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CN1CC1CC1	REAL300007674392	0	43	-1.0	-55.68	347.39	3.34	-52.34
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3CC3)S2)CCOC1	REAL300007674393	0	33	-1.0	-43.01	284.47	1.57	-41.44
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C)=C1[N+](=O)[O-]	REAL300007674394	0	38	-1.0	-38.76	315.23	3.41	-35.35
CN1N=CC(C2CC2)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674395	0	37	-1.0	-51.00	299.46	1.24	-49.76
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)CCOC1	REAL300007674396	0	43	-1.0	-47.63	344.71	3.93	-43.70
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674397	0	33	-1.0	-40.96	288.24	0.41	-40.55
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)CCOC1	REAL300007674398	0	41	-1.0	-45.70	343.00	6.24	-39.46
O=C([O-])C1(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CCOC1	REAL300007674399	0	40	-1.0	-59.15	320.86	5.15	-54.00
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C(C)C=C1OC	REAL300007674400	0	43	-1.0	-42.35	337.76	2.61	-39.74
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)CCOC1	REAL300007674401	0	36	-1.0	-47.88	324.47	3.60	-44.28
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=N1	REAL300007674402	1	32	-1.0	-63.44	269.56	0.00	-63.44
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=CC=CC=C2C=C1	REAL300007674403	0	39	-1.0	-56.75	301.24	4.53	-52.22
CC(C)OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=N1	REAL300007674404	0	39	-1.0	-49.84	322.50	0.18	-49.66
COC1=C(F)C=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674405	0	34	-1.0	-51.55	287.18	1.77	-49.78
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C(C)C	REAL300007674406	0	46	-1.0	-43.90	352.84	4.39	-39.51
CC(C)(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1F	REAL300007674407	0	42	-1.0	-42.09	321.12	4.40	-37.69
O=C([O-])C1(NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)CCOC1	REAL300007674408	0	49	-1.0	-45.80	374.66	6.69	-39.11
CN1N=C2CCCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674409	0	40	-1.0	-48.92	312.61	1.61	-47.31
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C(C)(C)C)=N1	REAL300007674410	0	42	-1.0	-55.24	322.13	2.16	-53.08
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCC3)N=C2)CCOC1	REAL300007674411	0	40	-1.0	-49.65	321.22	1.99	-47.66
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674412	0	33	-1.0	-38.86	274.99	-0.16	-39.02
COC1=CC=C(F)C=C1CS(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674413	0	37	-1.0	-45.61	307.86	1.91	-43.70
C=CCCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674414	0	40	-1.0	-52.65	330.74	4.46	-48.19
CCC1=NN(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674415	0	36	-1.0	-53.01	298.73	0.83	-52.18
CCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C(C)C	REAL300007674416	0	52	-1.0	-50.78	406.52	5.52	-45.26
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)CCOC1	REAL300007674417	0	34	-1.0	-41.20	299.32	3.53	-37.67
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C(C)(C)C	REAL300007674418	0	52	-1.0	-53.17	397.58	5.39	-47.78
CCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1CC	REAL300007674419	0	46	-1.0	-43.21	355.74	4.59	-38.62
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674420	0	36	-1.0	-39.74	286.47	3.86	-35.88
CC1=CC(Br)=CC=C1CS(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674421	0	36	-1.0	-41.63	306.53	3.87	-37.76
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC=C2Cl)CCOC1	REAL300007674422	0	34	-1.0	-45.67	297.08	3.88	-41.79
CCCC1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674423	0	39	-1.0	-54.88	303.85	4.27	-50.61
COC1=NC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674424	0	33	-1.0	-46.12	283.70	-1.34	-47.46
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674425	0	46	-1.0	-53.48	363.39	4.24	-49.24
O=C([O-])C1(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)CCOC1	REAL300007674426	0	35	-1.0	-56.48	290.21	2.31	-54.17
CC1=CSC(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674427	0	33	-1.0	-40.82	265.02	2.64	-38.18
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCC3)N=C2)CCOC1	REAL300007674428	0	37	-1.0	-44.10	292.10	1.59	-42.51
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2CCC2)CCOC1	REAL300007674429	0	37	-1.0	-42.08	293.08	1.85	-40.23
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CC2CCC2)CCOC1	REAL300007674430	0	40	-1.0	-49.73	316.09	2.39	-47.34
CC1(C)COC2=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=NN2C1	REAL300007674431	0	41	-1.0	-48.67	328.39	-0.78	-49.45
O=C([O-])C1(NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CCOC1	REAL300007674432	0	36	-1.0	-44.09	310.94	2.98	-41.11
O=C([O-])C1(NS(=O)(=O)C2=CN=C3CCCCN23)CCOC1	REAL300007674433	0	37	-1.0	-54.60	299.97	1.59	-53.01
CCCCCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C(C)C	REAL300007674434	0	55	-1.0	-43.47	417.33	6.76	-36.71
COC1=CC(C(C)C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C	REAL300007674435	0	46	-1.0	-55.87	355.43	3.97	-51.90
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674436	0	40	-1.0	-57.37	329.91	3.07	-54.30
CC1CC2=CC=CC(S(=O)(=O)NC3(C(=O)[O-])CCOC3)=C2O1	REAL300007674437	0	38	-1.0	-58.94	311.61	2.33	-56.61
CC(C)(C)C1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)S1	REAL300007674438	0	38	-1.0	-50.04	321.09	1.42	-48.62
O=C([O-])C1(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CCOC1	REAL300007674439	0	36	-1.0	-55.24	307.74	2.11	-53.13
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674440	0	35	-1.0	-60.51	289.54	0.97	-59.54
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)CCOC1	REAL300007674441	0	34	-1.0	-40.20	305.93	1.64	-38.56
O=C([O-])C1(NS(=O)(=O)C2=CC3=NON=C3C=C2)CCOC1	REAL300007674442	0	31	-1.0	-48.33	268.43	0.48	-47.85
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3S2)CCOC1	REAL300007674443	0	33	-1.0	-44.81	283.30	3.47	-41.34
CN1N=C(C2CC2)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674444	0	37	-1.0	-48.60	305.94	1.34	-47.26
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C)=C1F	REAL300007674445	0	39	-1.0	-41.44	302.10	4.72	-36.72
COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1OC	REAL300007674446	0	38	-1.0	-56.97	311.24	1.72	-55.25
O=C([O-])C1(NS(=O)(=O)C2=COC3=CC=CC=C23)CCOC1	REAL300007674447	0	33	-1.0	-53.11	284.07	2.09	-51.02
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C2CCCC2)=N1	REAL300007674448	0	43	-1.0	-53.65	344.00	2.58	-51.07
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674449	0	42	-1.0	-48.79	328.35	1.99	-46.80
CCCCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C)=N1	REAL300007674450	0	42	-1.0	-52.50	343.03	2.44	-50.06
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C2CC2)=N1	REAL300007674451	0	37	-1.0	-54.10	310.59	1.61	-52.49
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)CCOC1	REAL300007674452	0	34	-1.0	-54.32	292.50	1.31	-53.01
CN1N=NC2=C(S(=O)(=O)NC3(C(=O)[O-])CCOC3)C=CC=C21	REAL300007674453	0	35	-1.0	-61.41	298.86	0.16	-61.25
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1Br	REAL300007674454	0	36	-1.0	-54.90	309.92	3.72	-51.18
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)CCOC1	REAL300007674455	0	36	-1.0	-39.76	314.58	3.26	-36.50
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C2CCC2)=N1	REAL300007674456	0	40	-1.0	-53.62	327.49	2.07	-51.55
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674457	0	48	-1.0	-56.79	365.90	5.86	-50.93
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)CCOC1	REAL300007674458	0	36	-1.0	-54.95	325.41	3.30	-51.65
O=C([O-])C1(NS(=O)(=O)C2=CN(CC3CCC3)N=C2)CCOC1	REAL300007674459	0	40	-1.0	-49.57	327.82	2.29	-47.28
O=C([O-])C1(NS(=O)(=O)C2=C(C3CC3)C=CS2)CCOC1	REAL300007674460	0	34	-1.0	-56.86	294.03	2.66	-54.20
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)CCOC1	REAL300007674461	0	41	-1.0	-56.64	353.09	4.54	-52.10
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=NC=CC=C2C=C1	REAL300007674462	0	39	-1.0	-69.98	318.81	2.78	-67.20
CCCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674463	0	39	-1.0	-44.36	305.43	4.28	-40.08
CN1N=C2CCCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674464	0	37	-1.0	-50.17	301.07	1.10	-49.07
CC(C)(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674465	0	39	-1.0	-45.19	289.60	1.18	-44.01
CC(C)(C)N1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=N1	REAL300007674466	0	39	-1.0	-44.37	308.60	1.68	-42.69
O=C([O-])C1(NS(=O)(=O)C2=CNN=C2C2CCC2)CCOC1	REAL300007674467	0	37	-1.0	-52.07	304.70	0.72	-51.35
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CN=C1C(F)(F)F	REAL300007674468	0	35	-1.0	-39.69	294.28	1.81	-37.88
O=C([O-])C1(NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CCOC1	REAL300007674469	0	33	-1.0	-47.00	298.50	2.78	-44.22
CCCC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674470	0	41	-1.0	-66.85	338.14	3.73	-63.12
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)CCOC1	REAL300007674471	0	41	-1.0	-43.14	315.18	5.23	-37.91
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)CCOC1	REAL300007674472	0	36	-1.0	-40.70	308.76	3.17	-37.53
O=C([O-])C1(NS(=O)(=O)CC2=NOC3=C2COCC3)CCOC1	REAL300007674473	0	37	-1.0	-46.52	302.59	0.11	-46.41
O=C([O-])C1(NS(=O)(=O)C2=CSC=C2C(F)(F)F)CCOC1	REAL300007674474	0	30	-1.0	-51.20	273.19	2.12	-49.08
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(C3CC3)=C2)CCOC1	REAL300007674475	0	37	-1.0	-54.39	302.58	3.80	-50.59
COC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=CS1	REAL300007674476	0	31	-1.0	-46.61	271.55	0.57	-46.04
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2CCCC2)CCOC1	REAL300007674477	0	40	-1.0	-40.55	312.71	2.82	-37.73
CCC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674478	0	39	-1.0	-48.36	313.78	1.52	-46.84
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C2CCOCC2)=N1	REAL300007674479	0	44	-1.0	-53.59	353.73	0.84	-52.75
CC(F)(F)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674480	0	36	-1.0	-56.94	307.40	2.93	-54.01
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)CCOC1	REAL300007674481	0	34	-1.0	-44.56	282.16	1.73	-42.83
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)S1	REAL300007674482	0	31	-1.0	-43.15	268.38	0.49	-42.66
CC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=NC=CC=C12	REAL300007674483	0	41	-1.0	-64.90	324.31	4.03	-60.87
O=C([O-])C1(NS(=O)(=O)C2=CN(CCF)N=C2)CCOC1	REAL300007674484	0	33	-1.0	-49.09	286.57	0.35	-48.74
CCOCC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674485	0	40	-1.0	-45.48	317.96	2.77	-42.71
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674486	0	40	-1.0	-46.21	326.98	3.01	-43.20
O=C([O-])C1(NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)CCOC1	REAL300007674487	0	43	-1.0	-49.40	340.30	2.59	-46.81
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)CCOC1	REAL300007674488	0	41	-1.0	-50.69	342.71	4.60	-46.09
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2CF)CCOC1	REAL300007674489	0	33	-1.0	-55.01	274.60	2.78	-52.23
CC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC(C)=C1Br	REAL300007674490	0	36	-1.0	-49.55	311.25	3.43	-46.12
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=CC=CC=C12	REAL300007674491	0	39	-1.0	-46.78	312.38	4.03	-42.75
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C2=CC=CC=C2)=N1	REAL300007674492	0	40	-1.0	-60.35	330.33	3.07	-57.28
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=C(F)C=C2)CCOC1	REAL300007674493	0	34	-1.0	-44.25	289.25	3.52	-40.73
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=CC(Br)=C2)CCOC1	REAL300007674494	0	34	-1.0	-41.16	303.88	3.63	-37.53
O=C([O-])C1(NS(=O)(=O)C=CC2=CC=C(Br)C=C2)CCOC1	REAL300007674495	0	34	-1.0	-43.74	304.13	4.07	-39.67
O=C([O-])C1(NS(=O)(=O)CCC2NC(=O)NC2=O)CCOC1	REAL300007674496	0	35	-1.0	-47.79	293.40	-4.33	-52.12
O=C([O-])C1(NS(=O)(=O)C2=CN=C3C=CC=CN23)CCOC1	REAL300007674497	0	33	-1.0	-55.50	279.51	1.93	-53.57
O=C([O-])C1(NS(=O)(=O)C2CCC(F)(F)CC2)CCOC1	REAL300007674498	0	36	-1.0	-37.55	286.70	1.73	-35.82
O=C([O-])C1(NS(=O)(=O)C2=CC=C3SC=NC3=C2)CCOC1	REAL300007674499	0	32	-1.0	-56.75	284.50	1.09	-55.66
O=C([O-])C1(NS(=O)(=O)CCOC2CCOC2)CCOC1	REAL300007674500	0	38	-1.0	-44.50	303.85	-0.65	-45.15
CC1=NC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C(C2=CC=CC=C2)O1	REAL300007674501	0	39	-1.0	-47.27	321.33	2.24	-45.03
O=C([O-])C1(NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CCOC1	REAL300007674502	0	47	-1.0	-42.77	326.62	4.61	-38.16
CC1(C)COC(CS(=O)(=O)NC2(C(=O)[O-])CCOC2)C1	REAL300007674503	0	40	-1.0	-44.84	309.00	1.56	-43.28
O=C([O-])C1(NS(=O)(=O)CC2CS(=O)(=O)C2)CCOC1	REAL300007674504	0	33	-1.0	-52.84	280.04	-2.15	-54.99
CC(C)(CS(=O)(=O)NC1(C(=O)[O-])CCOC1)C(C)(F)F	REAL300007674505	0	38	-1.0	-44.57	287.86	2.58	-41.99
CS(=O)(=O)CCCCS(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674506	0	38	-1.0	-55.90	319.53	-1.02	-56.92
CC1(C)CCC(CS(=O)(=O)NC2(C(=O)[O-])CCOC2)OC1	REAL300007674507	0	43	-1.0	-43.83	323.16	2.40	-41.43
O=C([O-])C1(NS(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CCOC1	REAL300007674508	0	40	-1.0	-41.87	320.05	4.05	-37.82
O=C([O-])C1(NS(=O)(=O)CC2=CC=CC3=NSN=C32)CCOC1	REAL300007674509	0	34	-1.0	-47.72	297.50	0.80	-46.92
O=C([O-])C1(NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)CCOC1	REAL300007674510	0	40	-1.0	-43.96	331.54	4.61	-39.35
O=C([O-])C1(NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CCOC1	REAL300007674511	0	39	-1.0	-50.41	303.20	-0.46	-50.87
O=C([O-])C1(NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CCOC1	REAL300007674512	0	43	-1.0	-41.92	317.34	3.80	-38.12
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CC3)S2)CCOC1	REAL300007674513	0	34	-1.0	-53.47	296.12	3.06	-50.41
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC3(C(=O)[O-])CCOC3)=CC=C21	REAL300007674514	0	52	-1.0	-55.23	383.66	5.67	-49.56
COC1=CC=C(C=C(C)S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674515	0	41	-1.0	-40.43	322.22	2.16	-38.27
COC1=CSC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1OC	REAL300007674516	0	35	-1.0	-45.85	293.75	0.71	-45.14
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)CCOC1	REAL300007674517	0	34	-1.0	-53.62	304.48	2.40	-51.22
O=C([O-])C1(NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CCOC1	REAL300007674518	0	34	-1.0	-45.58	288.35	1.80	-43.78
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674519	0	36	-1.0	-50.99	296.63	1.45	-49.54
CN1C=CC2=CC(S(=O)(=O)NC3(C(=O)[O-])CCOC3)=CC=C21	REAL300007674520	0	37	-1.0	-56.06	307.21	3.45	-52.61
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)CCOC1	REAL300007674521	0	39	-1.0	-42.65	321.92	2.62	-40.03
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674522	0	43	-1.0	-53.10	342.72	3.94	-49.16
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CCOC1	REAL300007674523	0	41	-1.0	-46.54	332.43	5.03	-41.51
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674524	0	36	-1.0	-61.16	290.70	3.69	-57.47
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)CCOC1	REAL300007674525	0	31	-1.0	-40.86	295.35	-0.08	-40.94
C=C(C)COC1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674526	0	41	-1.0	-45.49	326.25	3.76	-41.73
CCN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C2CC2)=N1	REAL300007674527	0	40	-1.0	-53.52	331.25	2.51	-51.01
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=NSN=C2C=C1	REAL300007674528	0	34	-1.0	-45.83	282.51	1.70	-44.13
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CCOC1	REAL300007674529	0	36	-1.0	-43.27	305.49	4.90	-38.37
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)CCOC1	REAL300007674530	0	40	-1.0	-42.71	333.83	6.08	-36.63
O=C([O-])C1(NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)CCOC1	REAL300007674531	0	29	-1.0	-50.06	283.58	-0.17	-50.23
CCC1=CC(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=CC=C1Br	REAL300007674532	0	36	-1.0	-41.38	301.93	4.01	-37.37
CC1=NN(C2CCCC2)C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674533	0	43	-1.0	-48.76	340.73	2.83	-45.93
O=C([O-])C1(NS(=O)(=O)C2=CC(Cl)=CS2)CCOC1	REAL300007674534	0	27	-1.0	-41.46	252.79	1.56	-39.90
COCCC1=CC=C(OC)C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674535	0	44	-1.0	-43.75	355.42	1.83	-41.92
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CCOC1	REAL300007674536	0	36	-1.0	-43.26	312.39	4.01	-39.25
CN1N=C2CCOCC2=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674537	0	38	-1.0	-48.96	301.05	-0.70	-49.66
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2C2CC2)CCOC1	REAL300007674538	0	37	-1.0	-56.38	297.86	3.94	-52.44
O=C([O-])C1(NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)CCOC1	REAL300007674539	0	45	-1.0	-52.62	354.98	2.09	-50.53
COC1=NC=C(Cl)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674540	0	33	-1.0	-43.83	301.24	-0.87	-44.70
COC1=NC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1C	REAL300007674541	0	36	-1.0	-41.41	290.56	-0.58	-41.99
CC(C)CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=N1	REAL300007674542	0	39	-1.0	-49.34	316.83	1.80	-47.54
CC1=NN(C(C)C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674543	0	39	-1.0	-52.99	318.71	1.42	-51.57
COCC1=CC(CS(=O)(=O)NC2(C(=O)[O-])CCOC2)=NO1	REAL300007674544	0	36	-1.0	-46.01	303.91	-0.37	-46.38
CC(C)N1N=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674545	0	36	-1.0	-48.49	295.80	0.87	-47.62
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2CC2CC2)CCOC1	REAL300007674546	0	37	-1.0	-41.49	292.39	2.21	-39.28
O=C([O-])C1(NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CCOC1	REAL300007674547	0	37	-1.0	-47.10	302.83	2.72	-44.38
CC1=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=NN1C(C)C	REAL300007674548	0	39	-1.0	-57.24	318.45	1.49	-55.75
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C=C1	REAL300007674549	0	44	-1.0	-50.84	362.85	5.32	-45.52
COC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C(C(F)F)=C1	REAL300007674550	0	37	-1.0	-50.83	304.01	2.30	-48.53
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC1(C(=O)[O-])CCOC1	REAL300007674551	0	36	-1.0	-51.37	318.92	-0.12	-51.49
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)C2=NC=CC=C12	REAL300007674552	0	38	-1.0	-62.48	312.16	2.90	-59.58
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC=CC=C32)CCOC1	REAL300007674553	0	34	-1.0	-43.88	285.75	1.07	-42.81
O=C([O-])C1(NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)CCOC1	REAL300007674554	0	37	-1.0	-39.72	323.67	2.02	-37.70
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC2(C(=O)[O-])CCOC2)=C1	REAL300007674555	0	43	-1.0	-58.45	343.63	3.72	-54.73
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)C1=CC=CC=C1	REAL300007674556	0	35	-1.0	-51.06	348.61	7.01	-44.05
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)C1=CC=CC(F)=C1	REAL300007674557	0	35	-1.0	-39.35	355.37	7.18	-32.17
CN(C)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674558	0	33	-1.0	-38.02	326.17	4.34	-33.68
CCCCN(C)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674559	0	42	-1.0	-49.49	388.37	6.59	-42.90
CCCCS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674560	0	37	-1.0	-38.16	353.58	6.31	-31.85
CCS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674561	0	31	-1.0	-38.72	311.72	4.73	-33.99
CS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674562	0	28	-1.0	-38.72	290.26	3.86	-34.86
CCCS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674563	0	34	-1.0	-38.23	332.08	5.53	-32.70
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)C1=CC=CS1	REAL300007674564	0	32	-1.0	-40.80	341.22	6.08	-34.72
CC1=CC=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])S1	REAL300007674565	0	35	-1.0	-40.82	360.87	6.87	-33.95
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)N1CCOCC1	REAL300007674566	0	38	-1.0	-48.03	340.19	3.21	-44.82
CN1C=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300007674567	0	35	-1.0	-42.85	353.86	4.80	-38.05
CCN(CC)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674568	0	39	-1.0	-39.10	361.00	5.77	-33.33
CC1=NNC=C1S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674569	0	35	-1.0	-42.11	350.19	4.05	-38.06
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CCC1CC1	REAL300007674570	0	38	-1.0	-38.54	363.70	7.10	-31.44
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CC1=NOC=C1	REAL300007674571	0	34	-1.0	-44.69	345.49	5.05	-39.64
CC1=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=NN1C	REAL300007674572	0	38	-1.0	-42.74	370.18	5.27	-37.47
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)N1CC2CCC1C2	REAL300007674573	0	41	-1.0	-41.09	371.42	6.53	-34.56
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CC1CCCOC1	REAL300007674574	0	42	-1.0	-38.37	380.53	5.79	-32.58
COCCC(C)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674575	0	41	-1.0	-37.09	375.75	5.26	-31.83
CCC(C)CS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674576	0	40	-1.0	-38.24	366.05	6.93	-31.31
CCN(CC1CC1)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674577	0	43	-1.0	-39.15	393.11	7.39	-31.76
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CCOCC1CC1	REAL300007674578	0	42	-1.0	-40.46	395.61	6.31	-34.15
COCC(C)CS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674579	0	41	-1.0	-37.65	380.76	5.38	-32.27
CCOCC(C)CS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674580	0	44	-1.0	-37.66	402.61	6.35	-31.31
CC(C)(C)CCS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674581	0	43	-1.0	-38.75	387.32	7.25	-31.50
CC1CCN(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C1	REAL300007674582	0	40	-1.0	-49.66	360.55	5.48	-44.18
CC(C)CN(C)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674583	0	42	-1.0	-38.28	387.86	6.65	-31.63
CCN(C)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674584	0	36	-1.0	-49.43	345.36	5.06	-44.37
CN(C1CCCC1)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674585	0	43	-1.0	-37.37	379.49	6.68	-30.69
CCCN(C)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674586	0	39	-1.0	-49.18	366.63	5.83	-43.35
CC1=NOC(CS(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300007674587	0	37	-1.0	-39.72	368.57	5.92	-33.80
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CCC1CCCO1	REAL300007674588	0	42	-1.0	-43.07	388.51	5.86	-37.21
COC(C)CS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674589	0	38	-1.0	-40.28	363.37	4.78	-35.50
CN1N=NC=C1S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674590	0	34	-1.0	-41.24	342.64	3.54	-37.70
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CCC1CCC1	REAL300007674591	0	41	-1.0	-50.79	381.79	7.58	-43.21
CC(C)(C)CCCS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674592	0	46	-1.0	-38.78	409.95	8.00	-30.78
COCC1(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300007674593	0	39	-1.0	-41.57	372.61	5.84	-35.73
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CCC1CCOC1	REAL300007674594	0	42	-1.0	-38.83	383.84	5.51	-33.32
CN1C=CC(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=N1	REAL300007674595	0	35	-1.0	-52.82	354.09	4.60	-48.22
CC1=CC=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300007674596	0	38	-1.0	-50.95	370.02	7.69	-43.26
CCS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674597	0	31	-1.0	-38.72	311.72	4.73	-33.99
CC1=CC=CC(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300007674598	0	38	-1.0	-41.70	370.37	7.78	-33.92
CCCCS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674599	0	37	-1.0	-38.16	353.58	6.31	-31.85
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CC1=CC=CC=C1	REAL300007674600	0	38	-1.0	-52.83	372.20	7.72	-45.11
CC1=NNC(C)=C1S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674601	0	38	-1.0	-46.43	362.31	4.74	-41.69
CC1=NOC(C)=C1S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674602	0	37	-1.0	-43.47	360.07	5.92	-37.55
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)N1CCCCCC1	REAL300007674603	0	43	-1.0	-39.92	368.74	6.78	-33.14
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)N1CCCCC1	REAL300007674604	0	40	-1.0	-39.67	367.56	6.32	-33.35
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)N1CCCC1	REAL300007674605	0	37	-1.0	-50.19	347.28	5.12	-45.07
CC1CCN(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300007674606	0	43	-1.0	-39.56	388.36	6.90	-32.66
CC1=CC=CC=C1S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674607	0	38	-1.0	-40.54	360.72	7.90	-32.64
CC1=NC(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=CN1C	REAL300007674608	0	38	-1.0	-54.13	372.61	5.92	-48.21
CN1C=NC(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300007674609	0	35	-1.0	-49.80	353.33	6.18	-43.62
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)C1=CC=CN=C1	REAL300007674610	0	34	-1.0	-40.12	342.06	5.28	-34.84
CC1CCCCN1S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674611	0	43	-1.0	-49.72	377.32	7.01	-42.71
CC(C)N(C)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674612	0	39	-1.0	-50.07	354.51	5.27	-44.80
CCCN(CCC)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674613	0	45	-1.0	-39.44	403.99	7.30	-32.14
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)C1CC1	REAL300007674614	0	32	-1.0	-38.78	317.30	5.50	-33.28
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CC1CCCC1	REAL300007674615	0	41	-1.0	-51.44	375.43	7.42	-44.02
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)C1=CSC=C1	REAL300007674616	0	32	-1.0	-39.49	340.42	5.99	-33.50
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CC1CCCCC1	REAL300007674617	0	44	-1.0	-38.16	387.26	8.13	-30.03
CN(C1CC1)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674618	0	37	-1.0	-38.07	348.84	5.61	-32.46
COCCS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674619	0	35	-1.0	-40.31	344.26	3.82	-36.49
CCCCCCCS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674620	0	46	-1.0	-38.79	419.22	8.65	-30.14
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CC1CCCO1	REAL300007674621	0	39	-1.0	-41.63	367.33	5.38	-36.25
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CC1CCCCO1	REAL300007674622	0	42	-1.0	-41.85	385.81	6.07	-35.78
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CC1CC1	REAL300007674623	0	35	-1.0	-51.65	343.89	6.26	-45.39
CCN1C=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300007674624	0	38	-1.0	-43.05	375.04	5.67	-37.38
CC(C1CC1)N(C)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674625	0	43	-1.0	-49.94	382.39	6.85	-43.09
CN1N=CC=C1S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674626	0	35	-1.0	-41.09	349.18	4.75	-36.34
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CC1CCOC1	REAL300007674627	0	39	-1.0	-39.71	362.84	4.98	-34.73
CCCCCS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674628	0	40	-1.0	-38.89	376.22	7.09	-31.80
COCCN(C)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674629	0	40	-1.0	-40.17	375.93	4.19	-35.98
CN(CC1CC1)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674630	0	40	-1.0	-38.87	379.91	6.77	-32.10
CC1=CC(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=C(C)O1	REAL300007674631	0	38	-1.0	-41.28	368.62	6.47	-34.81
CC1=CSC(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300007674632	0	35	-1.0	-41.20	362.88	6.74	-34.46
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)C1=CC=CO1	REAL300007674633	0	32	-1.0	-42.12	329.74	5.08	-37.04
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)C1=COC=C1	REAL300007674634	0	32	-1.0	-40.22	329.59	4.94	-35.28
CC1=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])SC=C1	REAL300007674635	0	35	-1.0	-51.37	340.46	5.86	-45.51
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)C1CCOC1	REAL300007674636	0	36	-1.0	-50.77	334.68	3.70	-47.07
C=CCCS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674637	0	35	-1.0	-39.01	346.04	6.09	-32.92
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)C1=CNC=N1	REAL300007674638	0	32	-1.0	-53.28	330.64	4.40	-48.88
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CCCF	REAL300007674639	0	34	-1.0	-37.54	339.82	5.67	-31.87
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CCCCF	REAL300007674640	0	37	-1.0	-39.83	361.32	6.45	-33.38
CC1=NN(C)C=C1S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674641	0	38	-1.0	-43.29	366.34	5.23	-38.06
CC1=CC=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])O1	REAL300007674642	0	35	-1.0	-51.65	354.41	5.87	-45.78
CC1=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])N(C)N=C1	REAL300007674643	0	38	-1.0	-41.64	365.66	5.53	-36.11
C=C(C)CS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674644	0	35	-1.0	-38.99	344.92	5.97	-33.02
C=CCCCS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674645	0	38	-1.0	-38.14	366.39	6.88	-31.26
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CC1CCC1	REAL300007674646	0	38	-1.0	-38.66	358.82	6.85	-31.81
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CCC1CCCC1	REAL300007674647	0	44	-1.0	-50.81	397.77	8.11	-42.70
CC1(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300007674648	0	35	-1.0	-51.56	331.61	6.23	-45.33
CC1=NC=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])S1	REAL300007674649	0	34	-1.0	-40.18	355.43	4.91	-35.27
CC1=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C(N)=NO1	REAL300007674650	0	36	-1.0	-40.91	355.74	4.49	-36.42
CC1=CC=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=N1	REAL300007674651	0	37	-1.0	-43.93	365.93	5.92	-38.01
COC(CS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-])C1CC1	REAL300007674652	0	42	-1.0	-40.24	390.18	6.40	-33.84
CCC1(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300007674653	0	38	-1.0	-37.86	351.93	6.76	-31.10
CC1(C)CC(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CO1	REAL300007674654	0	42	-1.0	-50.30	375.62	5.14	-45.16
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CCCC1CC1	REAL300007674655	0	41	-1.0	-37.75	383.04	7.83	-29.92
CC1=NC=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])N1C	REAL300007674656	0	38	-1.0	-43.08	366.08	6.06	-37.02
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)C1=CC=CC=N1	REAL300007674657	0	34	-1.0	-51.73	344.15	5.13	-46.60
CCN1N=NC=C1S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674658	0	37	-1.0	-42.08	362.87	4.45	-37.63
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007674659	0	41	-1.0	-41.13	377.65	6.51	-34.62
CC1=NN(C)C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300007674660	0	38	-1.0	-41.67	369.08	5.24	-36.43
CN(C1CCC1)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674661	0	40	-1.0	-49.09	356.13	5.66	-43.43
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NC(=O)N1CCC(F)(F)CC1	REAL300007674662	0	39	-1.0	-48.93	357.02	9.44	-39.49
CN(C(C)(C)C)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674663	0	42	-1.0	-39.72	372.91	6.61	-33.11
CCC1=CC=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])O1	REAL300007674664	0	38	-1.0	-51.54	375.90	6.66	-44.88
CC1=CN=CC(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300007674665	0	37	-1.0	-41.94	363.57	5.94	-36.00
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)N1CC2CC1C2	REAL300007674666	0	38	-1.0	-39.69	355.61	5.91	-33.78
CCOCCCS(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674667	0	41	-1.0	-38.77	388.75	5.57	-33.20
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CC1COCCO1	REAL300007674668	0	40	-1.0	-39.91	375.10	4.43	-35.48
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)CCN1C=NN=N1	REAL300007674669	0	36	-1.0	-55.47	363.24	4.89	-50.58
COCCC1(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])CC1	REAL300007674670	0	42	-1.0	-39.01	386.11	5.88	-33.13
CCN1N=CC(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=N1	REAL300007674671	0	37	-1.0	-44.29	369.67	3.98	-40.31
CO[C@@H]1COC[C@@H]1S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674672	0	40	-1.0	-52.59	366.24	3.52	-49.07
CC1=COC(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300007674673	0	35	-1.0	-43.21	353.55	5.79	-37.42
CC1=CC=C(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])O1	REAL300007674674	0	35	-1.0	-51.65	354.41	5.87	-45.78
CCC1=NNC=C1S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674675	0	38	-1.0	-48.64	363.55	4.47	-44.17
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)C1=C(Cl)OC=C1	REAL300007674676	0	32	-1.0	-40.79	331.66	5.06	-35.73
CC1=CN=CC=C1S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674677	0	37	-1.0	-38.70	354.64	6.04	-32.66
C=CCN(CC=C)S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674678	0	41	-1.0	-39.75	387.92	6.96	-32.79
CC1=CC=CN=C1S(=O)(=O)NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007674679	0	37	-1.0	-51.17	354.47	5.74	-45.43
CC1=CC(S(=O)(=O)NC(CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=CC=N1	REAL300007674680	0	37	-1.0	-40.22	363.85	5.89	-34.33
O=C([O-])C(CC1=CC(Cl)=CC(Cl)=C1)NS(=O)(=O)C1=CN=CS1	REAL300007674681	0	31	-1.0	-39.77	335.88	4.21	-35.56
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007674682	0	42	-1.0	-53.23	362.39	5.87	-47.36
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC(F)=C1)C(=O)[O-]	REAL300007674683	0	42	-1.0	-56.47	370.88	6.00	-50.47
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300007674684	0	47	-1.0	-64.79	404.97	6.32	-58.47
COC1=CC=CC=C1CC(CNS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007674685	0	40	-1.0	-50.30	335.16	3.89	-46.41
CCCCN(C)S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674686	0	49	-1.0	-50.12	399.87	5.60	-44.52
CCCCS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674687	0	44	-1.0	-50.96	364.88	5.93	-45.03
CCS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674688	0	38	-1.0	-52.14	326.24	3.55	-48.59
CCCS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674689	0	41	-1.0	-51.09	343.38	5.15	-45.94
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CS1)C(=O)[O-]	REAL300007674690	0	39	-1.0	-50.27	350.09	4.95	-45.32
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C)S1)C(=O)[O-]	REAL300007674691	0	42	-1.0	-52.21	376.14	5.67	-46.54
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007674692	0	39	-1.0	-48.80	371.30	5.49	-43.31
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300007674693	0	49	-1.0	-57.54	397.33	6.40	-51.14
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CCOCC1)C(=O)[O-]	REAL300007674694	0	45	-1.0	-50.29	366.26	3.39	-46.90
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007674695	0	45	-1.0	-47.56	389.89	7.34	-40.22
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN(C)N=C1)C(=O)[O-]	REAL300007674696	0	42	-1.0	-54.89	368.55	3.65	-51.24
CCN(CC)S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674697	0	46	-1.0	-50.19	371.23	5.42	-44.77
COC1=CC=CC=C1CC(CNS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300007674698	0	53	-1.0	-57.24	421.61	6.38	-50.86
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300007674699	0	48	-1.0	-55.03	401.61	5.02	-50.01
CCC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C=C1	REAL300007674700	0	48	-1.0	-52.81	405.28	7.32	-45.49
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CNN=C1C)C(=O)[O-]	REAL300007674701	0	42	-1.0	-56.88	366.50	2.90	-53.98
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300007674702	0	45	-1.0	-50.08	391.81	6.68	-43.40
COC1=CC=CC=C1CC(CNS(=O)(=O)CCC1CC1)C(=O)[O-]	REAL300007674703	0	45	-1.0	-57.11	375.48	5.89	-51.22
COCC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C=C1	REAL300007674704	0	49	-1.0	-52.66	413.10	6.41	-46.25
CCOC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C=N1	REAL300007674705	0	48	-1.0	-54.86	413.51	3.56	-51.30
COC1=CC=CC=C1CC(CNS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007674706	0	47	-1.0	-63.14	411.38	1.90	-61.24
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=NOC=C1)C(=O)[O-]	REAL300007674707	0	41	-1.0	-55.23	361.14	3.85	-51.38
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)N(C)N=C1)C(=O)[O-]	REAL300007674708	0	45	-1.0	-59.39	386.77	4.10	-55.29
COC1=CC=CC=C1CC(CNS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300007674709	0	51	-1.0	-56.83	411.49	4.02	-52.81
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CC2CCC1C2)C(=O)[O-]	REAL300007674710	0	48	-1.0	-53.77	389.80	5.41	-48.36
CCN1N=C(C)C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])=C1C	REAL300007674711	0	51	-1.0	-55.30	417.40	6.62	-48.68
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300007674712	0	48	-1.0	-54.26	408.77	5.03	-49.23
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007674713	0	51	-1.0	-56.34	426.94	6.84	-49.50
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300007674714	0	48	-1.0	-56.31	403.41	7.06	-49.25
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300007674715	0	48	-1.0	-54.49	401.96	4.39	-50.10
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1CCCOC1)C(=O)[O-]	REAL300007674716	0	49	-1.0	-52.00	391.77	5.41	-46.59
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300007674717	0	45	-1.0	-50.68	378.25	6.87	-43.81
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007674718	0	45	-1.0	-54.54	396.56	6.81	-47.73
COCCC(C)S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674719	0	48	-1.0	-55.82	392.01	4.27	-51.55
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007674720	0	46	-1.0	-60.26	391.40	5.83	-54.43
CCC(C)CS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674721	0	47	-1.0	-51.68	381.70	5.74	-45.94
CCN(CC1CC1)S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674722	0	50	-1.0	-55.19	407.70	6.22	-48.97
CCCN1C=NC(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])=C1	REAL300007674723	0	48	-1.0	-58.28	403.29	7.60	-50.68
COC1=CC=CC=C1CC(CNS(=O)(=O)CCOCC1CC1)C(=O)[O-]	REAL300007674724	0	49	-1.0	-51.95	413.41	5.17	-46.78
COCC(C)CS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674725	0	48	-1.0	-51.06	392.06	5.00	-46.06
CCOCC(C)CS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674726	0	51	-1.0	-51.96	418.26	5.16	-46.80
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300007674727	0	51	-1.0	-51.79	411.87	8.78	-43.01
CCOC1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])=C1	REAL300007674728	0	49	-1.0	-58.88	415.83	6.16	-52.72
COCCN1C=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C=N1	REAL300007674729	0	49	-1.0	-52.70	417.75	4.30	-48.40
COC1=CC=CC=C1CC(CNS(=O)(=O)CCC(C)(C)C)C(=O)[O-]	REAL300007674730	0	50	-1.0	-51.70	402.97	6.05	-45.65
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CCC(C)C1)C(=O)[O-]	REAL300007674731	0	47	-1.0	-51.28	382.58	5.62	-45.66
COCC1=CC=CC=C1S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674732	0	49	-1.0	-52.45	404.33	6.82	-45.63
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007674733	0	46	-1.0	-56.74	382.61	5.95	-50.79
CCC1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])=C1	REAL300007674734	0	48	-1.0	-53.31	398.28	7.34	-45.97
CCC1=CC=C(CS(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C=C1	REAL300007674735	0	51	-1.0	-52.66	424.64	8.83	-43.83
COC1=CC=CC=C1CC(CNS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007674736	0	45	-1.0	-51.36	393.48	7.27	-44.09
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007674737	0	51	-1.0	-57.64	417.55	7.81	-49.83
COC1=CC=CC=C1CC(CNS(=O)(=O)N(C)CC(C)C)C(=O)[O-]	REAL300007674738	0	49	-1.0	-49.70	397.91	5.58	-44.12
CCN(C)S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674739	0	43	-1.0	-50.03	356.88	4.06	-45.97
COC1=CC=CC=C1CC(CNS(=O)(=O)N(C)C1CCCC1)C(=O)[O-]	REAL300007674740	0	50	-1.0	-53.79	396.64	5.75	-48.04
CCCN(C)S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674741	0	46	-1.0	-50.58	378.05	5.55	-45.03
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300007674742	0	51	-1.0	-50.11	410.19	4.15	-45.96
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=CC(C)=NO1)C(=O)[O-]	REAL300007674743	0	44	-1.0	-54.14	378.72	5.54	-48.60
COC1=CC=CC=C1CC(CNS(=O)(=O)CCC1CCCO1)C(=O)[O-]	REAL300007674744	0	49	-1.0	-52.85	399.80	5.48	-47.37
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007674745	0	47	-1.0	-56.32	391.04	2.87	-53.45
COC1=CC=CC=C1CC(CNS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007674746	0	55	-1.0	-51.69	447.10	6.32	-45.37
COC1=CC=CC=C1CC(CNS(=O)(=O)CC(C)OC)C(=O)[O-]	REAL300007674747	0	45	-1.0	-52.73	379.02	3.58	-49.15
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007674748	0	49	-1.0	-56.54	403.94	5.98	-50.56
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007674749	0	54	-1.0	-51.02	407.83	8.18	-42.84
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN=NN1C)C(=O)[O-]	REAL300007674750	0	41	-1.0	-51.87	351.40	3.14	-48.73
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300007674751	0	48	-1.0	-54.37	412.87	7.29	-47.08
COC1=CC=CC=C1CC(CNS(=O)(=O)CCC1CCC1)C(=O)[O-]	REAL300007674752	0	48	-1.0	-50.88	391.57	7.23	-43.65
COC1=CC=CC=C1CC(CNS(=O)(=O)CCCC(C)(C)C)C(=O)[O-]	REAL300007674753	0	53	-1.0	-50.79	420.11	7.62	-43.17
COC1=CC=CC=C1CC(CNS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007674754	0	47	-1.0	-52.75	407.23	5.92	-46.83
COCC1(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])CC1	REAL300007674755	0	46	-1.0	-63.83	390.26	4.95	-58.88
COC1=CC=CC=C1CC(CNS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007674756	0	52	-1.0	-51.28	402.66	8.13	-43.15
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1CC(F)(F)C1)C(=O)[O-]	REAL300007674757	0	45	-1.0	-52.34	387.70	5.81	-46.53
COC1=CC=CC=C1CC(CNS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007674758	0	55	-1.0	-52.34	419.79	7.88	-44.46
COC1=CC=CC=C1CC(CNS(=O)(=O)CCC1CCOC1)C(=O)[O-]	REAL300007674759	0	49	-1.0	-58.90	397.82	4.35	-54.55
COC1=CC=CC=C1CC(CNS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300007674760	0	49	-1.0	-57.18	409.24	7.98	-49.20
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=NN(C)C=C1)C(=O)[O-]	REAL300007674761	0	42	-1.0	-59.21	367.21	3.41	-55.80
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007674762	0	42	-1.0	-50.28	379.12	6.39	-43.89
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007674763	0	44	-1.0	-50.48	386.75	6.53	-43.95
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007674764	0	48	-1.0	-54.23	403.95	8.96	-45.27
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007674765	0	44	-1.0	-53.14	383.61	6.58	-46.56
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C=C1	REAL300007674766	0	46	-1.0	-53.34	391.88	5.17	-48.17
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007674767	0	44	-1.0	-65.45	375.39	8.17	-57.28
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C)C=C1)C(=O)[O-]	REAL300007674768	0	45	-1.0	-52.57	379.44	7.36	-45.21
CCOC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C=C1	REAL300007674769	0	49	-1.0	-53.08	413.74	6.10	-46.98
CCS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674770	0	38	-1.0	-52.14	326.24	3.55	-48.59
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300007674771	0	51	-1.0	-51.97	402.10	8.70	-43.27
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC(C)=C1)C(=O)[O-]	REAL300007674772	0	45	-1.0	-58.13	385.88	6.60	-51.53
COC1=CC=CC=C1CC(CNS(=O)(=O)C=CC1=CC=CC=C1)C(=O)[O-]	REAL300007674773	0	46	-1.0	-52.79	394.27	7.05	-45.74
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007674774	0	42	-1.0	-56.06	381.21	6.45	-49.61
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300007674775	0	47	-1.0	-55.66	400.78	7.17	-48.49
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(C)=CC=C1C)C(=O)[O-]	REAL300007674776	0	48	-1.0	-54.07	391.55	7.47	-46.60
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007674777	0	48	-1.0	-58.42	402.90	7.14	-51.28
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C)C=C1C)C(=O)[O-]	REAL300007674778	0	48	-1.0	-51.63	394.10	8.24	-43.39
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300007674779	0	51	-1.0	-57.28	424.71	7.87	-49.41
CCCCS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674780	0	44	-1.0	-50.96	364.88	5.93	-45.03
CCCC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C=C1	REAL300007674781	0	51	-1.0	-52.65	426.78	8.09	-44.56
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC=C1OC)C(=O)[O-]	REAL300007674782	0	46	-1.0	-55.28	378.56	6.51	-48.77
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=CC=CC=C1)C(=O)[O-]	REAL300007674783	0	45	-1.0	-61.99	388.22	6.65	-55.34
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)NN=C1C)C(=O)[O-]	REAL300007674784	0	45	-1.0	-52.75	374.37	3.79	-48.96
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300007674785	0	49	-1.0	-58.23	409.99	7.85	-50.38
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)ON=C1C)C(=O)[O-]	REAL300007674786	0	44	-1.0	-51.38	371.18	5.65	-45.73
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007674787	0	47	-1.0	-52.52	393.92	6.54	-45.98
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CCCCCC1)C(=O)[O-]	REAL300007674788	0	50	-1.0	-51.54	395.02	5.96	-45.58
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CCCCC1)C(=O)[O-]	REAL300007674789	0	47	-1.0	-50.91	380.25	5.05	-45.86
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007674790	0	44	-1.0	-57.81	367.94	4.29	-53.52
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CCC(C)CC1)C(=O)[O-]	REAL300007674791	0	50	-1.0	-53.49	395.58	5.54	-47.95
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300007674792	0	53	-1.0	-51.83	404.53	6.18	-45.65
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007674793	0	48	-1.0	-57.06	398.98	9.04	-48.02
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300007674794	0	45	-1.0	-47.57	379.42	6.91	-40.66
COC1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])=C1	REAL300007674795	0	46	-1.0	-55.73	391.87	5.17	-50.56
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300007674796	0	45	-1.0	-56.79	399.94	7.05	-49.74
CCC1=CC=CC=C1S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674797	0	48	-1.0	-50.47	389.53	7.72	-42.75
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC=C1C)C(=O)[O-]	REAL300007674798	0	45	-1.0	-58.66	379.19	6.84	-51.82
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN(C)C(C)=N1)C(=O)[O-]	REAL300007674799	0	45	-1.0	-61.40	381.69	4.82	-56.58
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007674800	0	45	-1.0	-51.65	398.52	7.90	-43.75
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007674801	0	43	-1.0	-56.38	368.89	5.39	-50.99
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C=C1F	REAL300007674802	0	46	-1.0	-52.10	391.10	5.28	-46.82
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300007674803	0	45	-1.0	-52.27	382.11	6.61	-45.66
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=CC=C(C)C=C1)C(=O)[O-]	REAL300007674804	0	48	-1.0	-52.96	403.16	8.06	-44.90
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN(C)C=N1)C(=O)[O-]	REAL300007674805	0	42	-1.0	-60.50	359.41	4.99	-55.51
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CN=C1)C(=O)[O-]	REAL300007674806	0	41	-1.0	-52.66	358.98	4.16	-48.50
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CCCCC1C)C(=O)[O-]	REAL300007674807	0	50	-1.0	-49.47	388.41	6.02	-43.45
COC1=CC=CC=C1CC(CNS(=O)(=O)N(C)C(C)C)C(=O)[O-]	REAL300007674808	0	46	-1.0	-51.75	377.07	4.48	-47.27
CCCN(CCC)S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674809	0	52	-1.0	-50.24	414.31	6.16	-44.08
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007674810	0	45	-1.0	-47.50	389.76	7.36	-40.14
COC1=CC=CC=C1CC(CNS(=O)(=O)C1CC1)C(=O)[O-]	REAL300007674811	0	39	-1.0	-55.36	328.66	4.44	-50.92
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C=C1C	REAL300007674812	0	49	-1.0	-52.69	404.95	5.95	-46.74
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C(C)=C1	REAL300007674813	0	49	-1.0	-50.85	402.62	6.14	-44.71
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300007674814	0	45	-1.0	-63.07	393.54	6.68	-56.39
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300007674815	0	44	-1.0	-52.33	387.58	4.43	-47.90
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1CCCC1)C(=O)[O-]	REAL300007674816	0	48	-1.0	-50.97	385.01	7.09	-43.88
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300007674817	0	46	-1.0	-50.14	391.11	5.28	-44.86
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CSC=C1)C(=O)[O-]	REAL300007674818	0	39	-1.0	-50.91	349.10	5.58	-45.33
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1CCCCC1)C(=O)[O-]	REAL300007674819	0	51	-1.0	-51.91	405.10	6.99	-44.92
COC1=CC=CC=C1CC(CNS(=O)(=O)N(C)C1CC1)C(=O)[O-]	REAL300007674820	0	44	-1.0	-49.80	363.49	4.60	-45.20
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300007674821	0	45	-1.0	-68.80	383.59	5.10	-63.70
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300007674822	0	48	-1.0	-53.87	407.50	7.24	-46.63
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300007674823	0	45	-1.0	-51.97	388.20	7.45	-44.52
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=CC=CC=C1C)C(=O)[O-]	REAL300007674824	0	48	-1.0	-61.67	403.90	7.23	-54.44
COCCS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674825	0	42	-1.0	-51.34	355.56	3.43	-47.91
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300007674826	0	47	-1.0	-53.09	393.97	5.98	-47.11
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300007674827	0	46	-1.0	-52.36	398.23	7.70	-44.66
CCCCCCCS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674828	0	53	-1.0	-51.78	433.73	7.47	-44.31
CCN1C=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])N=C1C	REAL300007674829	0	48	-1.0	-60.79	403.70	5.73	-55.06
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1CCCO1)C(=O)[O-]	REAL300007674830	0	46	-1.0	-55.86	381.85	4.18	-51.68
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1CCCCO1)C(=O)[O-]	REAL300007674831	0	49	-1.0	-52.51	395.93	5.70	-46.81
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1CC1)C(=O)[O-]	REAL300007674832	0	42	-1.0	-61.06	359.91	5.19	-55.87
COCC1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])=C1	REAL300007674833	0	49	-1.0	-54.59	410.46	5.63	-48.96
CCN1C=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C=N1	REAL300007674834	0	45	-1.0	-55.50	384.08	5.24	-50.26
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007674835	0	45	-1.0	-61.54	401.81	7.09	-54.45
COC1=CC=CC=C1CC(CNS(=O)(=O)N(C)C(C)C1CC1)C(=O)[O-]	REAL300007674836	0	50	-1.0	-52.67	403.22	5.86	-46.81
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=NN1C)C(=O)[O-]	REAL300007674837	0	42	-1.0	-56.06	358.60	3.35	-52.71
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1CCOC1)C(=O)[O-]	REAL300007674838	0	46	-1.0	-61.94	380.56	3.85	-58.09
CCCCCS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674839	0	47	-1.0	-50.83	386.38	6.71	-44.12
COCCN(C)S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674840	0	47	-1.0	-50.04	386.98	3.98	-46.06
COC1=CC=CC=C1CC(CNS(=O)(=O)N(C)CC1CC1)C(=O)[O-]	REAL300007674841	0	47	-1.0	-50.56	378.54	5.89	-44.67
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)OC(C)=C1)C(=O)[O-]	REAL300007674842	0	45	-1.0	-52.92	380.14	5.42	-47.50
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(C)=CS1)C(=O)[O-]	REAL300007674843	0	42	-1.0	-51.08	371.56	6.35	-44.73
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007674844	0	45	-1.0	-59.16	394.25	6.32	-52.84
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007674845	0	45	-1.0	-53.34	384.57	4.52	-48.82
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C=N1	REAL300007674846	0	45	-1.0	-50.95	385.17	3.36	-47.59
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CO1)C(=O)[O-]	REAL300007674847	0	39	-1.0	-58.14	347.16	3.93	-54.21
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300007674848	0	46	-1.0	-56.69	392.28	5.39	-51.30
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=COC=C1)C(=O)[O-]	REAL300007674849	0	39	-1.0	-52.94	340.53	4.57	-48.37
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)C=CS1)C(=O)[O-]	REAL300007674850	0	42	-1.0	-58.56	371.08	5.43	-53.13
COC1=CC=CC=C1CC(CNS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007674851	0	49	-1.0	-60.40	403.54	7.49	-52.91
COC1=CC=CC=C1CC(CNS(=O)(=O)C1CCOC1)C(=O)[O-]	REAL300007674852	0	43	-1.0	-52.67	356.18	3.79	-48.88
C=CCCS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674853	0	42	-1.0	-51.03	356.20	5.71	-45.32
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CNC=N1)C(=O)[O-]	REAL300007674854	0	39	-1.0	-58.85	337.28	4.24	-54.61
COC1=CC=CC=C1CC(CNS(=O)(=O)CCCF)C(=O)[O-]	REAL300007674855	0	41	-1.0	-51.51	349.97	5.29	-46.22
COC1=CC=CC=C1CC(CNS(=O)(=O)CCCCF)C(=O)[O-]	REAL300007674856	0	44	-1.0	-51.97	371.47	6.07	-45.90
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN(C)N=C1C)C(=O)[O-]	REAL300007674857	0	45	-1.0	-54.87	381.93	4.19	-50.68
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C)O1)C(=O)[O-]	REAL300007674858	0	42	-1.0	-55.03	363.12	4.67	-50.36
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)C=NN1C)C(=O)[O-]	REAL300007674859	0	45	-1.0	-49.96	375.06	4.42	-45.54
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007674860	0	50	-1.0	-53.16	409.40	6.35	-46.81
C=C(C)CS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674861	0	42	-1.0	-51.39	356.22	5.59	-45.80
COC1=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])SC=C1	REAL300007674862	0	43	-1.0	-63.49	380.32	4.44	-59.05
C=CCCCS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674863	0	45	-1.0	-51.81	382.05	5.69	-46.12
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007674864	0	50	-1.0	-58.97	415.98	6.33	-52.64
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1CCC1)C(=O)[O-]	REAL300007674865	0	45	-1.0	-61.15	376.55	5.72	-55.43
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300007674866	0	47	-1.0	-60.41	388.21	5.72	-54.69
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300007674867	0	47	-1.0	-55.64	393.80	6.53	-49.11
COC1=CN=CC(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])=C1	REAL300007674868	0	45	-1.0	-51.64	379.97	3.37	-48.27
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300007674869	0	49	-1.0	-52.19	407.26	8.79	-43.40
COC1=CC=CC=C1CC(CNS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300007674870	0	54	-1.0	-50.92	424.03	8.34	-42.58
COC1=CC=CC=C1CC(CNS(=O)(=O)CCC1=CC=C(C)C=C1)C(=O)[O-]	REAL300007674871	0	51	-1.0	-60.43	431.13	8.12	-52.31
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300007674872	0	45	-1.0	-56.36	380.28	6.14	-50.22
COC1=CC=CC=C1CC(CNS(=O)(=O)CCC1CCCC1)C(=O)[O-]	REAL300007674873	0	51	-1.0	-55.61	404.93	6.99	-48.62
COC1=CC=CC=C1CC(CNS(=O)(=O)C1(C)CC1)C(=O)[O-]	REAL300007674874	0	42	-1.0	-60.52	354.55	5.19	-55.33
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300007674875	0	45	-1.0	-57.87	397.44	6.32	-51.55
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007674876	0	43	-1.0	-53.80	386.66	3.83	-49.97
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN=C(C)S1)C(=O)[O-]	REAL300007674877	0	41	-1.0	-51.82	366.51	4.51	-47.31
CCC1=NC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])S1	REAL300007674878	0	44	-1.0	-50.92	385.41	4.49	-46.43
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300007674879	0	43	-1.0	-51.84	364.43	4.08	-47.76
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007674880	0	49	-1.0	-53.88	407.32	6.40	-47.48
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300007674881	0	45	-1.0	-58.73	392.94	6.24	-52.49
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007674882	0	45	-1.0	-55.17	382.68	4.43	-50.74
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300007674883	0	48	-1.0	-50.20	405.03	8.02	-42.18
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C)N=C1)C(=O)[O-]	REAL300007674884	0	44	-1.0	-51.98	374.59	5.51	-46.47
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=CSC(C)=N1)C(=O)[O-]	REAL300007674885	0	44	-1.0	-54.13	388.38	5.07	-49.06
COC1=CC=CC=C1CC(CNS(=O)(=O)CC(OC)C1CC1)C(=O)[O-]	REAL300007674886	0	49	-1.0	-52.79	399.61	5.66	-47.13
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007674887	0	45	-1.0	-52.12	402.85	7.10	-45.02
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300007674888	0	45	-1.0	-50.49	397.84	6.97	-43.52
CCC1(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])CC1	REAL300007674889	0	45	-1.0	-50.33	358.97	6.45	-43.88
COC1=CC=CC=C1CC(CNS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300007674890	0	55	-1.0	-55.75	428.23	6.28	-49.47
COC1=CC=CC=C1CC(CNS(=O)(=O)C1COC(C)(C)C1)C(=O)[O-]	REAL300007674891	0	49	-1.0	-58.66	397.23	4.26	-54.40
CCOC(CS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-])C1CC1	REAL300007674892	0	52	-1.0	-58.72	422.60	6.16	-52.56
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007674893	0	45	-1.0	-51.91	397.71	6.19	-45.72
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007674894	0	49	-1.0	-54.42	411.03	5.82	-48.60
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007674895	1	44	-1.0	-61.29	382.49	4.90	-56.39
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300007674896	0	46	-1.0	-53.90	382.66	6.79	-47.11
CCC1=NN(C)C=C1S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674897	0	48	-1.0	-58.06	409.84	4.98	-53.08
COC1=CC=CC=C1CC(CNS(=O)(=O)CCCC1CC1)C(=O)[O-]	REAL300007674898	0	48	-1.0	-50.96	396.50	7.50	-43.46
CCCC1=CC=CC=C1S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674899	0	51	-1.0	-50.82	410.90	8.50	-42.32
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300007674900	0	45	-1.0	-56.17	376.51	2.96	-53.21
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN=C(C)N1C)C(=O)[O-]	REAL300007674901	0	45	-1.0	-54.03	380.37	4.83	-49.20
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC=N1)C(=O)[O-]	REAL300007674902	0	41	-1.0	-56.55	355.43	4.18	-52.37
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300007674903	0	45	-1.0	-50.49	380.96	7.38	-43.11
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007674904	0	49	-1.0	-53.13	407.89	6.36	-46.77
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007674905	0	49	-1.0	-52.14	405.60	5.62	-46.52
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007674906	0	49	-1.0	-54.69	400.06	5.95	-48.74
CCN1N=NC=C1S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674907	0	44	-1.0	-49.99	371.91	4.02	-45.97
COC1=CC=CC=C1CC(CNS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300007674908	0	51	-1.0	-57.32	410.25	5.91	-51.41
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300007674909	0	43	-1.0	-53.06	379.36	4.72	-48.34
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007674910	0	49	-1.0	-52.21	413.25	5.64	-46.57
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007674911	0	45	-1.0	-59.13	387.40	5.89	-53.24
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007674912	0	49	-1.0	-54.31	399.76	5.24	-49.07
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300007674913	0	53	-1.0	-50.15	418.49	6.34	-43.81
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007674914	0	46	-1.0	-59.43	401.22	7.13	-52.30
CCCC1=CC=CC(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])=C1	REAL300007674915	0	51	-1.0	-53.28	419.78	8.11	-45.17
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007674916	0	49	-1.0	-54.27	408.08	5.39	-48.88
COC1=CC=CC=C1CC(CNS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1)C(=O)[O-]	REAL300007674917	0	48	-1.0	-54.17	386.85	5.25	-48.92
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)C=CC=C1C)C(=O)[O-]	REAL300007674918	0	48	-1.0	-51.66	384.69	8.20	-43.46
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007674919	0	51	-1.0	-54.25	402.42	5.47	-48.78
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007674920	0	51	-1.0	-54.59	428.49	5.65	-48.94
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007674921	0	49	-1.0	-53.06	391.93	5.14	-47.92
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(C)=NN1C)C(=O)[O-]	REAL300007674922	0	45	-1.0	-49.43	377.57	4.12	-45.31
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC(C)=C1C)C(=O)[O-]	REAL300007674923	0	48	-1.0	-51.77	390.29	8.14	-43.63
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007674924	0	48	-1.0	-51.79	397.82	6.34	-45.45
COC1=CC=CC=C1CC(CNS(=O)(=O)N(C)C1CCC1)C(=O)[O-]	REAL300007674925	0	47	-1.0	-53.93	376.68	4.88	-49.05
COC1=CC=CC=C1CC(CNC(=O)N1CCC(F)(F)CC1)C(=O)[O-]	REAL300007674926	0	46	-1.0	-48.20	367.80	8.20	-40.00
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300007674927	0	49	-1.0	-57.87	413.69	8.04	-49.83
COC1=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])C=CS1	REAL300007674928	0	43	-1.0	-53.47	373.87	5.20	-48.27
CCC(C)N1N=CC=C1S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674929	0	51	-1.0	-53.44	413.56	5.45	-47.99
COC1=CC=CC=C1CC(CNS(=O)(=O)N(C)C(C)(C)C)C(=O)[O-]	REAL300007674930	0	49	-1.0	-50.38	384.18	6.17	-44.21
CCC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])O1	REAL300007674931	0	45	-1.0	-50.73	384.24	5.55	-45.18
COC1=CC=CC=C1CC(CNS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007674932	0	56	-1.0	-49.93	423.65	7.49	-42.44
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])S1	REAL300007674933	0	43	-1.0	-51.71	386.12	4.32	-47.39
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300007674934	0	45	-1.0	-53.82	390.67	5.37	-48.45
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300007674935	0	45	-1.0	-51.84	378.68	6.98	-44.86
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN=CC(C)=C1)C(=O)[O-]	REAL300007674936	0	44	-1.0	-51.91	378.78	4.72	-47.19
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CC2CC1C2)C(=O)[O-]	REAL300007674937	0	45	-1.0	-53.57	374.15	4.77	-48.80
COC1=CC=CC=C1CC(CNS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007674938	0	46	-1.0	-57.64	402.78	7.18	-50.46
CCOCCCS(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674939	0	48	-1.0	-51.75	398.91	5.19	-46.56
COC1=CC=CC=C1CC(CNS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007674940	0	47	-1.0	-68.79	407.67	-0.11	-68.90
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300007674941	0	45	-1.0	-56.55	387.83	6.27	-50.28
COC1=CC=CC=C1CC(CNS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300007674942	0	48	-1.0	-51.40	394.69	7.17	-44.23
COC1=CC=CC=C1CC(CNS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300007674943	0	50	-1.0	-52.59	417.20	3.05	-49.54
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1COCCO1)C(=O)[O-]	REAL300007674944	0	47	-1.0	-53.59	386.54	3.31	-50.28
COC1=CC=CC=C1CC(CNS(=O)(=O)CCN1C=NN=N1)C(=O)[O-]	REAL300007674945	0	43	-1.0	-58.32	372.76	4.55	-53.77
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300007674946	0	52	-1.0	-54.25	418.32	5.42	-48.83
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300007674947	0	45	-1.0	-58.51	393.33	1.54	-56.97
COC1=CC=CC=C1CC(CNS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007674948	0	50	-1.0	-52.87	397.03	7.13	-45.74
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007674949	0	55	-1.0	-59.85	432.79	6.22	-53.63
COC1=CC=CC=C1CC(CNS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300007674950	0	52	-1.0	-55.50	425.96	8.19	-47.31
COC1=CC=CC=C1CC(CNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007674951	0	51	-1.0	-54.83	410.48	4.13	-50.70
COCCC1(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])CC1	REAL300007674952	0	49	-1.0	-58.15	393.11	4.70	-53.45
CCN1N=CC(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])=N1	REAL300007674953	0	44	-1.0	-52.64	376.10	2.77	-49.87
COC1=CC=CC=C1CC(CNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007674954	0	55	-1.0	-52.09	429.69	7.85	-44.24
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007674955	0	46	-1.0	-51.54	401.80	7.99	-43.55
COC1=CC=CC=C1CC(CNS(=O)(=O)[C@H]1COC[C@H]1OC)C(=O)[O-]	REAL300007674956	0	47	-1.0	-53.30	386.46	3.57	-49.73
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(C)=CO1)C(=O)[O-]	REAL300007674957	0	42	-1.0	-52.27	362.57	5.35	-46.92
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=C(C)O1)C(=O)[O-]	REAL300007674958	0	42	-1.0	-55.03	363.12	4.67	-50.36
CCC1=NNC=C1S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674959	0	45	-1.0	-52.18	381.10	3.68	-48.50
COC1=CC=CC=C1CC(CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300007674960	0	54	-1.0	-57.00	424.52	6.41	-50.59
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(Cl)OC=C1)C(=O)[O-]	REAL300007674961	0	39	-1.0	-56.53	354.73	4.07	-52.46
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007674962	0	39	-1.0	-49.45	366.77	6.20	-43.25
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300007674963	0	49	-1.0	-53.23	400.84	8.91	-44.32
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300007674964	0	53	-1.0	-51.11	408.53	6.66	-44.45
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300007674965	0	48	-1.0	-51.99	405.28	4.10	-47.89
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300007674966	0	51	-1.0	-52.48	420.93	6.84	-45.64
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300007674967	0	51	-1.0	-57.22	428.09	5.63	-51.59
COCC1=CC(CS(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])=NO1	REAL300007674968	0	48	-1.0	-56.61	412.38	4.55	-52.06
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300007674969	0	48	-1.0	-56.50	401.34	4.89	-51.61
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007674970	0	49	-1.0	-50.94	406.67	6.86	-44.08
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300007674971	0	47	-1.0	-59.39	390.49	6.28	-53.11
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300007674972	0	51	-1.0	-56.24	421.77	5.66	-50.58
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=NC=C(C)C=C1C)C(=O)[O-]	REAL300007674973	0	47	-1.0	-61.74	396.97	5.53	-56.21
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=NC=C1C)C(=O)[O-]	REAL300007674974	0	44	-1.0	-52.54	368.92	4.96	-47.58
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300007674975	0	49	-1.0	-53.56	389.94	3.98	-49.58
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300007674976	0	48	-1.0	-61.72	402.77	5.42	-56.30
COC1=CC=NC(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])=C1	REAL300007674977	0	45	-1.0	-55.34	383.73	3.37	-51.97
C=CCN(CC=C)S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674978	0	48	-1.0	-50.16	398.51	5.82	-44.34
COC1=CC=C(S(=O)(=O)NCC(CC2=CC=CC=C2OC)C(=O)[O-])N=C1	REAL300007674979	0	45	-1.0	-59.84	389.89	3.29	-56.55
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=NC=CC=C1C)C(=O)[O-]	REAL300007674980	0	44	-1.0	-57.60	366.92	4.83	-52.77
CCOC1=CC=CN=C1S(=O)(=O)NCC(CC1=CC=CC=C1OC)C(=O)[O-]	REAL300007674981	0	48	-1.0	-61.21	400.28	5.19	-56.02
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CC=NC(C)=C1)C(=O)[O-]	REAL300007674982	0	44	-1.0	-51.79	379.13	4.69	-47.10
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007674983	0	46	-1.0	-57.85	381.96	5.53	-52.32
COC1=CC=CC=C1CC(CNS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300007674984	0	44	-1.0	-52.48	379.32	4.36	-48.12
COC1=CC=CC=C1CC(CNS(=O)(=O)C1=CN=CS1)C(=O)[O-]	REAL300007674985	0	38	-1.0	-51.47	344.61	3.80	-47.67
C=CC(C)C(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300007674986	0	37	-1.0	-47.87	329.29	4.66	-43.21
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(C)CC)C=C1)C(=O)[O-]	REAL300007674987	0	44	-1.0	-43.37	357.95	6.57	-36.80
C=CC(C)C(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007674988	0	29	-1.0	-51.79	289.97	3.63	-48.16
C=CC(C)C(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300007674989	0	39	-1.0	-43.12	319.50	4.57	-38.55
C=CC(C)C(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007674990	0	35	-1.0	-39.51	320.91	5.62	-33.89
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007674991	0	36	-1.0	-43.61	332.87	4.47	-39.14
C=CC(C)C(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007674992	0	38	-1.0	-54.69	343.10	1.57	-53.12
C=CC(C)C(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007674993	0	36	-1.0	-50.08	326.22	3.77	-46.31
C=CC(C)C(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007674994	0	43	-1.0	-56.79	354.78	4.14	-52.65
C=CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007674995	0	35	-1.0	-40.05	310.51	5.38	-34.67
C=CC(C)C(NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300007674996	0	43	-1.0	-53.45	335.14	4.38	-49.07
C=CC(C)C(NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300007674997	0	38	-1.0	-48.96	319.06	3.09	-45.87
C=CC(C)C(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007674998	0	48	-1.0	-43.27	381.11	7.78	-35.49
C=CC(C)C(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007674999	0	38	-1.0	-47.44	332.63	3.35	-44.09
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007675000	0	32	-1.0	-53.11	299.70	4.73	-48.38
C=CC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007675039	0	36	-1.0	-39.65	304.47	3.99	-35.66
C=CC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300007675040	0	43	-1.0	-45.54	378.32	4.33	-41.21
C=CC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300007675041	0	43	-1.0	-50.29	379.93	1.16	-49.13
C=CC(C)C(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007675042	0	50	-1.0	-42.16	375.28	5.88	-36.28
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007675043	0	40	-1.0	-49.78	329.39	5.60	-44.18
C=CC(C)C(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007675044	0	40	-1.0	-53.33	345.90	5.93	-47.40
C=CC(C)C(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007675045	0	43	-1.0	-53.43	363.81	2.63	-50.80
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300007675046	0	46	-1.0	-40.86	388.61	5.09	-35.77
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300007675047	0	46	-1.0	-45.98	402.04	5.48	-40.50
C=CC(C)C(NS(=O)(=O)C1=CN(CCC)C=N1)C(=O)[O-]	REAL300007675048	0	38	-1.0	-49.85	324.62	5.65	-44.20
C=CC(C)C(NS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300007675049	0	46	-1.0	-47.72	387.77	1.32	-46.40
C=CC(C)C(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007675050	0	48	-1.0	-57.58	380.91	5.35	-52.23
C=CC(C)C(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007675051	0	39	-1.0	-51.11	355.56	4.40	-46.71
C=CC(C)C(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007675052	0	40	-1.0	-44.38	340.45	1.80	-42.58
C=CC(C)C(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300007675053	0	36	-1.0	-50.69	336.63	3.99	-46.70
C=CC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007675054	0	36	-1.0	-38.59	311.41	4.17	-34.42
C=CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300007675055	0	38	-1.0	-41.92	343.60	4.94	-36.98
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300007675056	0	38	-1.0	-38.26	327.98	5.61	-32.65
C=CC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300007675057	0	38	-1.0	-39.35	338.69	6.01	-33.34
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007675058	0	38	-1.0	-38.52	338.29	5.61	-32.91
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300007675059	0	41	-1.0	-57.07	330.17	5.58	-51.49
C=CC(C)C(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007675060	0	44	-1.0	-39.36	355.18	1.01	-38.35
C=CC(C)C(NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300007675061	0	39	-1.0	-43.95	337.86	4.39	-39.56
C=CC(C)C(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300007675062	0	39	-1.0	-51.13	347.84	1.71	-49.42
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007675063	0	39	-1.0	-47.40	343.64	4.52	-42.88
C=CC(C)C(NS(=O)(=O)C1=C(C)N(CCCCCCCC)N=C1C)C(=O)[O-]	REAL300007675064	0	59	-1.0	-47.91	469.61	8.68	-39.23
C=CC(C)C(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007675065	0	40	-1.0	-42.71	360.18	6.31	-36.40
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007675066	0	37	-1.0	-56.69	322.21	4.32	-52.37
C=CC(C)C(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007675067	0	35	-1.0	-58.46	325.14	5.31	-53.15
C=CC(C)C(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007675068	0	35	-1.0	-44.39	327.25	5.41	-38.98
C=CC(C)C(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007675069	0	39	-1.0	-57.01	347.03	1.92	-55.09
C=CC(C)C(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300007675070	0	35	-1.0	-51.88	328.53	5.35	-46.53
C=CC(C)C(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007675071	0	35	-1.0	-51.85	314.02	5.44	-46.41
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300007675072	0	39	-1.0	-52.05	328.51	4.12	-47.93
C=CC(C)C(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300007675073	0	36	-1.0	-41.74	337.99	4.17	-37.57
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300007675074	0	40	-1.0	-41.21	343.72	4.14	-37.07
C=CC(C)C(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007675075	0	35	-1.0	-51.96	330.52	3.15	-48.81
C=CC(C)C(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007675076	0	35	-1.0	-56.32	324.58	2.98	-53.34
C=CC(C)C(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007675077	0	43	-1.0	-44.53	356.71	5.24	-39.29
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007675078	0	35	-1.0	-48.50	309.38	3.37	-45.13
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC)C(=O)[O-]	REAL300007675079	0	43	-1.0	-58.16	350.68	2.11	-56.05
C=CC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300007675080	0	44	-1.0	-53.24	386.06	3.27	-49.97
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007675081	0	36	-1.0	-45.21	324.10	5.27	-39.94
C=CC(C)C(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007675082	0	40	-1.0	-41.58	367.03	0.97	-40.61
C=CC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC)C=C1)C(=O)[O-]	REAL300007675083	0	46	-1.0	-47.66	398.40	1.77	-45.89
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007675084	0	43	-1.0	-67.01	361.19	4.16	-62.85
C=CC(C)C(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300007675085	0	43	-1.0	-40.96	388.49	1.86	-39.10
C=CC(C)C(NS(=O)(=O)CC1=CC=C(CC)C=C1)C(=O)[O-]	REAL300007675086	0	41	-1.0	-56.02	352.33	6.24	-49.78
C=CC(C)C(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007675087	0	35	-1.0	-43.31	316.46	4.62	-38.69
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007675088	0	47	-1.0	-46.05	401.83	4.63	-41.42
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007675089	0	44	-1.0	-49.23	369.38	4.41	-44.82
C=CC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300007675090	0	41	-1.0	-58.96	363.19	2.41	-56.55
C=CC(C)C(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300007675091	0	42	-1.0	-45.95	358.97	1.44	-44.51
C=CC(C)C(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007675092	0	41	-1.0	-59.02	343.05	5.89	-53.13
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300007675093	0	39	-1.0	-42.31	359.84	5.09	-37.22
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007675094	0	46	-1.0	-58.01	389.14	7.05	-50.96
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007675095	0	36	-1.0	-38.62	321.74	4.61	-34.01
C=CC(C)C(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300007675096	0	39	-1.0	-43.62	351.46	4.63	-38.99
C=CC(C)C(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300007675097	0	41	-1.0	-41.37	332.80	2.38	-38.99
C=CC(C)C(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007675098	0	46	-1.0	-52.43	400.33	6.05	-46.38
C=CC(C)C(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300007675099	0	39	-1.0	-58.28	349.97	5.00	-53.28
C=CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007675100	0	44	-1.0	-53.64	378.02	5.62	-48.02
C=CC(C)C(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300007675101	0	39	-1.0	-60.87	343.95	-1.27	-62.14
C=CC(C)C(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007675102	0	38	-1.0	-55.15	335.95	5.31	-49.84
C=CC(C)C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007675103	0	35	-1.0	-44.13	338.05	6.00	-38.13
C=CC(C)C(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007675104	0	38	-1.0	-41.05	346.48	6.83	-34.22
C=CC(C)C(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007675105	0	35	-1.0	-53.08	335.54	5.91	-47.17
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007675106	0	38	-1.0	-58.40	339.88	6.91	-51.49
C=CC(C)C(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007675107	0	38	-1.0	-41.93	340.29	5.77	-36.16
C=CC(C)C(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007675108	0	43	-1.0	-56.69	368.36	5.42	-51.27
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007675109	0	46	-1.0	-40.15	382.11	7.37	-32.78
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007675110	0	45	-1.0	-49.13	389.83	5.62	-43.51
C=CC(C)C(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007675111	0	43	-1.0	-60.82	380.10	1.05	-59.77
C=CC(C)C(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300007675112	0	41	-1.0	-44.19	354.80	7.09	-37.10
C=CC(C)C(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300007675113	0	43	-1.0	-41.89	358.90	4.76	-37.13
C=CC(C)C(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007675114	0	38	-1.0	-44.98	342.43	5.97	-39.01
C=CC(C)C(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007675115	0	37	-1.0	-45.41	303.88	0.81	-44.60
C=CC(C)C(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007675116	0	45	-1.0	-54.68	365.60	4.44	-50.24
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300007675117	0	39	-1.0	-56.39	342.41	4.67	-51.72
C=CC(C)C(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007675118	0	41	-1.0	-70.97	364.54	2.21	-68.76
C=CC(C)C(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300007675119	0	36	-1.0	-42.19	343.28	5.67	-36.52
C=CC(C)C(NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300007675120	0	44	-1.0	-45.46	351.52	4.43	-41.03
C=CC(C)C(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007675121	0	40	-1.0	-51.02	357.01	2.62	-48.40
C=CC(C)C(NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300007675122	0	39	-1.0	-51.16	347.13	1.76	-49.40
C=CC(C)C(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007675123	0	43	-1.0	-47.46	378.91	3.88	-43.58
C=CC(C)C(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007675124	0	37	-1.0	-50.85	331.68	3.22	-47.63
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007675125	0	38	-1.0	-43.33	355.34	7.07	-36.26
C=CC(C)C(NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300007675126	0	50	-1.0	-52.90	380.10	8.76	-44.14
C=CC(C)C(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007675127	0	39	-1.0	-53.12	325.05	4.00	-49.12
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007675128	0	38	-1.0	-41.63	351.02	2.14	-39.49
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007675129	0	41	-1.0	-45.12	346.33	7.74	-37.38
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300007675130	0	39	-1.0	-52.37	331.33	4.28	-48.09
C=CC(C)C(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007675131	0	44	-1.0	-57.60	330.70	5.47	-52.13
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007675132	0	41	-1.0	-56.41	344.27	5.47	-50.94
C=CC(C)C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007675134	0	40	-1.0	-51.89	350.53	5.25	-46.64
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300007675135	0	39	-1.0	-53.04	359.16	4.33	-48.71
C=CC(C)C(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300007675136	0	38	-1.0	-43.98	331.99	5.47	-38.51
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007675138	0	32	-1.0	-52.04	314.27	4.21	-47.83
C=CC(C)C(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007675139	0	45	-1.0	-42.62	375.46	7.43	-35.19
C=CC(C)C(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007675140	0	43	-1.0	-55.59	367.56	4.81	-50.78
C=CC(C)C(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007675141	0	41	-1.0	-49.16	342.12	1.20	-47.96
C=CC(C)C(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007675142	0	35	-1.0	-45.81	324.32	4.64	-41.17
C=CC(C)C(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007675143	0	37	-1.0	-42.44	325.54	3.16	-39.28
C=CC(C)C(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007675144	0	42	-1.0	-40.05	326.17	5.51	-34.54
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300007675145	0	44	-1.0	-52.95	370.98	5.82	-47.13
C=CC(C)C(NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007675146	0	45	-1.0	-39.98	338.92	6.06	-33.92
C=CC(C)C(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007675147	0	43	-1.0	-63.78	353.33	1.11	-62.67
C=CC(C)C(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007675148	0	41	-1.0	-52.80	339.06	5.26	-47.54
C=CC(C)C(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300007675149	0	39	-1.0	-43.53	338.12	6.28	-37.25
C=CC(C)C(NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007675150	0	40	-1.0	-44.00	346.26	5.92	-38.08
C=CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007675151	0	32	-1.0	-41.56	299.14	4.57	-36.99
C=CC(C)C(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007675152	0	32	-1.0	-41.52	303.70	4.68	-36.84
C=CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007675153	0	34	-1.0	-39.24	307.50	4.65	-34.59
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007675154	0	38	-1.0	-56.20	326.87	6.26	-49.94
C=CC(C)C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007675155	0	34	-1.0	-41.63	316.35	4.85	-36.78
C=CC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300007675156	0	37	-1.0	-40.42	327.83	5.66	-34.76
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007675157	0	34	-1.0	-59.66	301.63	5.56	-54.10
C=CC(C)C(NS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300007675158	0	39	-1.0	-39.53	338.19	5.33	-34.20
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007675159	0	39	-1.0	-44.62	333.75	4.28	-40.34
C=CC(C)C(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300007675160	0	44	-1.0	-54.14	341.73	6.60	-47.54
C=CC(C)C(NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300007675161	0	41	-1.0	-41.32	331.86	6.33	-34.99
C=CC(C)C(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300007675162	0	47	-1.0	-42.51	375.63	7.31	-35.20
C=CC(C)C(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007675163	0	35	-1.0	-39.65	325.25	5.17	-34.48
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007675164	0	35	-1.0	-58.65	303.74	4.92	-53.73
C=CC(C)C(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007675165	0	32	-1.0	-39.93	303.24	4.69	-35.24
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300007675166	0	37	-1.0	-43.67	320.51	4.41	-39.26
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007675167	0	38	-1.0	-48.16	343.59	4.94	-43.22
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007675168	0	44	-1.0	-45.29	358.61	6.38	-38.91
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300007675169	0	41	-1.0	-43.22	339.49	5.91	-37.31
C=CC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007675170	0	43	-1.0	-49.92	377.98	2.05	-47.87
C=CC(C)C(NS(=O)(=O)C1=CC=C(CCC)C=C1)C(=O)[O-]	REAL300007675171	0	41	-1.0	-42.79	343.66	6.20	-36.59
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300007675172	0	36	-1.0	-42.47	337.98	4.17	-38.30
C=CC(C)C(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300007675173	0	35	-1.0	-41.15	327.64	5.37	-35.78
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300007675174	0	46	-1.0	-51.18	395.95	7.60	-43.58
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007675175	0	36	-1.0	-41.65	328.39	3.84	-37.81
C=CC(C)C(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300007675176	0	47	-1.0	-43.79	357.14	7.17	-36.62
C=CC(C)C(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007675177	0	41	-1.0	-43.43	350.90	4.13	-39.30
C=CC(C)C(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300007675178	0	48	-1.0	-43.68	374.55	6.59	-37.09
C=CC(C)C(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007675179	0	37	-1.0	-46.56	332.28	5.38	-41.18
C=CC(C)C(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300007675180	0	36	-1.0	-40.01	319.53	4.87	-35.14
C=CC(C)C(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300007675181	0	50	-1.0	-41.83	385.70	7.87	-33.96
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007675182	0	35	-1.0	-49.05	324.53	5.08	-43.97
C=CC(C)C(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007675183	0	42	-1.0	-44.04	349.22	6.66	-37.38
C=CC(C)C(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300007675184	0	40	-1.0	-43.41	327.71	3.22	-40.19
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300007675185	0	40	-1.0	-45.36	346.80	3.40	-41.96
C=CC(C)C(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300007675186	0	39	-1.0	-45.20	324.82	5.89	-39.31
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007675187	0	40	-1.0	-44.11	329.94	6.30	-37.81
C=CC(C)C(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007675188	0	37	-1.0	-44.60	315.19	3.83	-40.77
C=CC(C)C(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300007675189	0	47	-1.0	-42.57	382.72	7.49	-35.08
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300007675190	0	46	-1.0	-45.60	390.51	5.24	-40.36
C=CC(C)C(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007675191	0	37	-1.0	-48.70	333.50	-1.07	-49.77
C=CC(C)C(NS(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007675192	0	40	-1.0	-49.79	350.21	5.92	-43.87
C=CC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300007675193	0	40	-1.0	-58.21	344.57	6.10	-52.11
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300007675194	0	40	-1.0	-61.83	342.77	5.30	-56.53
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007675195	0	38	-1.0	-47.57	321.76	4.68	-42.89
C=CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300007675196	0	36	-1.0	-40.69	310.00	4.32	-36.37
C=CC(C)C(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007675197	0	37	-1.0	-57.41	334.49	-1.07	-58.48
C=CC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007675198	0	44	-1.0	-49.13	397.16	2.03	-47.10
C=CC(C)C(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007675199	0	40	-1.0	-55.27	352.92	5.62	-49.65
C=CC(C)C(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007675200	0	41	-1.0	-53.03	334.22	5.16	-47.87
C=CC(C)C(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300007675201	0	40	-1.0	-44.78	337.05	5.24	-39.54
C=CC(C)C(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007675202	0	40	-1.0	-58.88	338.62	6.75	-52.13
C=CC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007675203	0	43	-1.0	-56.85	376.62	1.99	-54.86
C=CC(C)C(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007675204	0	44	-1.0	-52.37	369.79	3.44	-48.93
C=CC(C)C(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007675205	0	38	-1.0	-51.54	344.70	1.62	-49.92
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007675206	0	42	-1.0	-60.98	350.66	7.58	-53.40
C=CC(C)C(NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300007675207	0	43	-1.0	-42.41	337.61	4.60	-37.81
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007675208	0	38	-1.0	-44.62	321.77	6.29	-38.33
C=CC(C)C(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007675209	0	42	-1.0	-45.16	353.45	7.39	-37.77
C=CC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300007675210	0	35	-1.0	-39.96	305.98	5.07	-34.89
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007675211	0	46	-1.0	-55.21	375.84	6.25	-48.96
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007675212	0	33	-1.0	-46.98	292.72	2.38	-44.60
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007675213	0	36	-1.0	-40.03	314.97	4.77	-35.26
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300007675214	0	47	-1.0	-43.63	369.70	6.77	-36.86
C=CC(C)C(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300007675215	0	35	-1.0	-41.03	319.33	5.21	-35.82
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300007675216	0	42	-1.0	-44.63	351.69	4.90	-39.73
C=CC(C)C(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007675217	0	35	-1.0	-58.51	320.58	5.21	-53.30
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007675218	0	33	-1.0	-63.00	297.19	2.98	-60.02
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007675219	0	37	-1.0	-43.11	331.73	6.37	-36.74
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007675220	0	37	-1.0	-51.01	318.30	4.67	-46.34
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007675221	0	43	-1.0	-49.08	387.91	7.44	-41.64
C=CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300007675222	0	38	-1.0	-39.80	320.75	4.80	-35.00
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300007675223	0	36	-1.0	-42.96	323.79	3.57	-39.39
C=CC(C)C(NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300007675224	0	35	-1.0	-41.82	310.58	4.80	-37.02
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007675225	0	43	-1.0	-42.31	384.68	7.34	-34.97
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300007675226	0	47	-1.0	-45.57	400.61	6.19	-39.38
C=CC(C)C(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300007675227	0	59	-1.0	-53.93	441.07	10.03	-43.90
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300007675228	0	48	-1.0	-56.54	391.29	7.30	-49.24
C=CC(C)C(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007675229	0	35	-1.0	-58.18	336.54	5.66	-52.52
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300007675230	0	42	-1.0	-56.60	350.79	5.74	-50.86
C=CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007675231	0	37	-1.0	-38.40	318.77	5.45	-32.95
C=CC(C)C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007675232	0	37	-1.0	-50.92	318.49	5.42	-45.50
C=CC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300007675233	0	40	-1.0	-40.21	344.24	6.54	-33.67
C=CC(C)C(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300007675234	0	44	-1.0	-42.69	360.48	6.67	-36.02
C=CC(C)C(NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300007675235	0	42	-1.0	-43.02	355.83	4.49	-38.53
C=CC(C)C(NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300007675236	0	44	-1.0	-41.97	352.26	1.18	-40.79
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007675237	0	35	-1.0	-39.53	316.33	5.51	-34.02
C=CC(C)C(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300007675238	0	42	-1.0	-52.31	360.95	4.99	-47.32
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300007675239	0	48	-1.0	-42.91	391.20	6.31	-36.60
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007675240	0	46	-1.0	-44.54	377.05	6.27	-38.27
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300007675241	0	45	-1.0	-43.20	372.23	5.70	-37.50
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCCC)C=C1)C(=O)[O-]	REAL300007675242	0	42	-1.0	-44.90	355.27	5.08	-39.82
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300007675243	0	36	-1.0	-42.42	333.60	4.05	-38.37
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007675244	0	36	-1.0	-42.15	339.14	4.22	-37.93
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300007675245	0	39	-1.0	-42.30	333.42	4.14	-38.16
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300007675246	0	45	-1.0	-44.73	377.41	5.78	-38.95
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300007675247	0	39	-1.0	-42.62	319.46	4.06	-38.56
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300007675248	0	43	-1.0	-48.56	367.40	3.55	-45.01
C=CC(C)C(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300007675249	0	35	-1.0	-45.98	315.77	4.88	-41.10
C=CC(C)C(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007675250	0	35	-1.0	-40.00	315.07	5.48	-34.52
C=CC(C)C(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300007675251	0	40	-1.0	-58.58	331.88	6.78	-51.80
C=CC(C)C(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300007675252	0	41	-1.0	-50.59	355.95	2.40	-48.19
C=CC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007675253	0	44	-1.0	-54.19	394.82	1.92	-52.27
C=CC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300007675254	0	40	-1.0	-49.94	359.01	0.22	-49.72
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC)C(=O)[O-]	REAL300007675255	0	40	-1.0	-58.45	340.71	1.90	-56.55
C=CC(C)C(NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300007675256	0	34	-1.0	-41.61	309.23	2.69	-38.92
C=CC(C)C(NS(=O)(=O)C1=CSC2=CC=CC=C21)C(=O)[O-]	REAL300007675257	0	35	-1.0	-54.18	318.75	5.39	-48.79
C=CC(C)C(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300007675258	0	36	-1.0	-41.93	323.80	3.57	-38.36
C=CC(C)C(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007675259	0	42	-1.0	-55.20	354.44	7.39	-47.81
C=CC(C)C(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007675260	0	35	-1.0	-37.11	338.89	5.77	-31.34
C=CC(C)C(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300007675261	0	38	-1.0	-44.36	363.45	4.67	-39.69
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007675262	0	52	-1.0	-44.50	416.98	7.67	-36.83
C=CC(C)C(NS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300007675263	0	40	-1.0	-61.45	348.62	5.52	-55.93
C=CC(C)C(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300007675264	0	40	-1.0	-55.89	345.00	1.65	-54.24
C=CC(C)C(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300007675265	0	42	-1.0	-44.09	343.26	4.96	-39.13
C=CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007675266	0	43	-1.0	-48.81	366.63	8.17	-40.64
C=CC(C)C(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300007675267	0	42	-1.0	-56.40	346.35	4.97	-51.43
C=CC(C)C(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300007675268	0	40	-1.0	-55.28	326.36	5.20	-50.08
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007675269	0	37	-1.0	-47.13	324.28	4.74	-42.39
C=CC(C)C(NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007675270	0	45	-1.0	-53.33	382.23	7.89	-45.44
C=CC(C)C(NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007675271	0	37	-1.0	-53.56	331.37	4.92	-48.64
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007675272	0	39	-1.0	-41.89	350.19	4.67	-37.22
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007675273	0	46	-1.0	-45.87	393.66	7.33	-38.54
C=CC(C)C(NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300007675274	0	40	-1.0	-60.21	344.08	5.26	-54.95
C=CC(C)C(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007675275	0	42	-1.0	-51.30	372.54	5.65	-45.65
C=CC(C)C(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300007675276	0	35	-1.0	-61.32	316.33	3.40	-57.92
C=CC(C)C(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300007675277	0	54	-1.0	-42.32	416.11	6.89	-35.43
C=CC(C)C(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007675278	0	40	-1.0	-46.95	356.35	0.60	-46.35
C=CC(C)C(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300007675279	0	35	-1.0	-59.89	311.03	4.76	-55.13
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300007675280	0	45	-1.0	-56.09	372.60	6.67	-49.42
C=CC(C)C(NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300007675281	0	42	-1.0	-43.65	337.47	5.65	-38.00
C=CC(C)C(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007675282	0	37	-1.0	-49.20	336.42	4.36	-44.84
C=CC(C)C(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007675283	0	39	-1.0	-54.63	348.73	5.24	-49.39
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300007675284	0	46	-1.0	-44.42	386.10	4.44	-39.98
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCCCCC)C=C1)C(=O)[O-]	REAL300007675285	0	48	-1.0	-42.95	395.13	6.57	-36.38
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007675286	0	42	-1.0	-42.92	329.10	6.46	-36.46
C=CC(C)C(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007675287	0	38	-1.0	-44.18	329.88	5.86	-38.32
C=CC(C)C(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007675288	0	36	-1.0	-42.22	338.79	5.52	-36.70
C=CC(C)C(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300007675289	0	37	-1.0	-42.71	315.25	3.28	-39.43
C=CC(C)C(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007675290	0	40	-1.0	-62.94	343.72	5.24	-57.70
C=CC(C)C(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300007675291	0	38	-1.0	-63.71	325.30	0.42	-63.29
C=CC(C)C(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007675292	0	37	-1.0	-47.52	330.68	4.23	-43.29
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300007675293	0	42	-1.0	-42.61	341.30	4.99	-37.62
C=CC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300007675294	0	40	-1.0	-61.93	357.60	0.16	-61.77
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007675295	0	36	-1.0	-55.51	325.34	4.25	-51.26
C=CC(C)C(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300007675296	0	36	-1.0	-42.63	319.47	5.00	-37.63
C=CC(C)C(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007675297	0	38	-1.0	-59.57	342.91	5.72	-53.85
C=CC(C)C(NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300007675298	0	43	-1.0	-55.67	355.28	5.82	-49.85
C=CC(C)C(NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300007675299	0	38	-1.0	-51.16	327.95	3.85	-47.31
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007675300	0	38	-1.0	-46.81	329.54	3.81	-43.00
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007675301	0	37	-1.0	-44.72	321.53	4.62	-40.10
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007675302	0	44	-1.0	-55.82	382.29	6.13	-49.69
C=CC(C)C(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300007675303	0	38	-1.0	-41.04	338.29	5.62	-35.42
C=CC(C)C(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007675304	0	38	-1.0	-57.54	361.40	4.88	-52.66
C=CC(C)C(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007675305	0	41	-1.0	-57.01	345.06	5.57	-51.44
C=CC(C)C(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300007675306	0	40	-1.0	-45.41	345.59	3.71	-41.70
C=CC(C)C(NS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007675307	0	39	-1.0	-43.86	350.16	4.64	-39.22
C=CC(C)C(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300007675308	0	39	-1.0	-42.91	341.58	3.89	-39.02
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007675309	0	43	-1.0	-47.42	342.40	5.73	-41.69
C=CC(C)C(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007675310	0	35	-1.0	-44.59	324.04	5.30	-39.29
C=CC(C)C(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007675311	0	44	-1.0	-61.26	379.00	2.56	-58.70
C=CC(C)C(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007675312	0	39	-1.0	-40.72	350.73	4.54	-36.18
C=CC(C)C(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007675313	0	40	-1.0	-56.43	343.21	4.67	-51.76
C=CC(C)C(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007675314	0	35	-1.0	-57.71	331.53	5.60	-52.11
C=CC(C)C(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007675315	0	40	-1.0	-44.97	336.32	4.60	-40.37
C=CC(C)C(NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300007675316	0	44	-1.0	-53.71	336.54	7.19	-46.52
C=CC(C)C(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300007675317	0	44	-1.0	-59.37	372.30	3.01	-56.36
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007675318	0	43	-1.0	-51.91	391.24	7.44	-44.47
C=CC(C)C(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007675319	0	38	-1.0	-56.28	346.38	5.06	-51.22
C=CC(C)C(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007675320	0	38	-1.0	-57.23	371.72	5.34	-51.89
C=CC(C)C(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300007675321	0	41	-1.0	-49.00	358.80	3.12	-45.88
C=CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007675322	0	35	-1.0	-46.50	316.47	2.87	-43.63
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007675323	0	35	-1.0	-48.03	313.76	4.50	-43.53
C=CC(C)C(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007675324	0	35	-1.0	-50.86	313.38	2.76	-48.10
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300007675325	0	35	-1.0	-44.88	309.59	0.74	-44.14
C=CC(C)C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007675326	0	40	-1.0	-54.61	334.72	4.62	-49.99
C=CC(C)C(NS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007675327	0	39	-1.0	-54.35	327.61	5.85	-48.50
C=CC(C)C(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300007675328	0	42	-1.0	-51.83	370.04	5.90	-45.93
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007675329	0	40	-1.0	-54.82	354.80	5.10	-49.72
C=CC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300007675330	0	37	-1.0	-40.39	332.29	5.38	-35.01
C=CC(C)C(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300007675331	0	43	-1.0	-54.83	370.15	4.82	-50.01
C=CC(C)C(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007675332	0	34	-1.0	-48.35	314.40	3.54	-44.81
C=CC(C)C(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007675333	0	40	-1.0	-45.31	330.76	4.38	-40.93
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300007675334	0	41	-1.0	-56.00	348.25	6.92	-49.08
C=CC(C)C(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300007675335	0	33	-1.0	-59.47	298.29	2.44	-57.03
C=CC(C)C(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007675336	0	40	-1.0	-56.04	332.11	4.37	-51.67
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300007675337	0	37	-1.0	-46.99	321.05	3.93	-43.06
C=CC(C)C(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007675338	0	37	-1.0	-57.67	334.31	4.14	-53.53
C=CC(C)C(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300007675339	0	37	-1.0	-52.97	321.61	3.91	-49.06
C=CC(C)C(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007675340	0	38	-1.0	-41.10	348.70	6.17	-34.93
C=CC(C)C(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007675341	0	44	-1.0	-45.52	358.07	4.65	-40.87
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007675342	0	34	-1.0	-41.24	314.00	3.24	-38.00
C=CC(C)C(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300007675343	0	40	-1.0	-50.64	341.31	4.73	-45.91
C=CC(C)C(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007675344	0	40	-1.0	-49.20	343.62	6.10	-43.10
C=CC(C)C(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300007675345	0	40	-1.0	-70.63	338.43	7.30	-63.33
C=CC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300007675346	0	40	-1.0	-39.82	338.26	5.88	-33.94
C=CC(C)C(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007675347	0	42	-1.0	-41.58	356.26	4.84	-36.74
C=CC(C)C(NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300007675348	0	35	-1.0	-42.88	308.65	1.59	-41.29
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007675349	0	41	-1.0	-54.99	353.99	5.67	-49.32
C=CC(C)C(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300007675350	0	39	-1.0	-52.52	335.07	6.18	-46.34
C=CC(C)C(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300007675351	0	40	-1.0	-54.78	344.82	2.68	-52.10
C=CC(C)C(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300007675352	0	44	-1.0	-55.08	353.24	5.76	-49.32
C=CC(C)C(NS(=O)(=O)CCC1=CC=C(C)C=C1)C(=O)[O-]	REAL300007675353	0	41	-1.0	-42.84	353.37	6.32	-36.52
C=CC(C)C(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300007675354	0	38	-1.0	-42.84	319.89	3.52	-39.32
C=CC(C)C(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300007675355	0	35	-1.0	-57.29	316.12	4.46	-52.83
C=CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300007675356	0	36	-1.0	-41.68	333.60	4.05	-37.63
C=CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300007675357	0	38	-1.0	-51.36	327.54	5.33	-46.03
C=CC(C)C(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007675358	0	40	-1.0	-50.17	332.21	5.60	-44.57
C=CC(C)C(NS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300007675359	0	37	-1.0	-48.16	326.00	1.72	-46.44
C=CC(C)C(NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300007675360	0	44	-1.0	-45.14	365.13	6.76	-38.38
C=CC(C)C(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007675361	0	40	-1.0	-37.83	338.49	6.32	-31.51
C=CC(C)C(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300007675362	0	42	-1.0	-56.36	345.27	5.63	-50.73
C=CC(C)C(NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300007675363	0	35	-1.0	-45.30	315.37	4.44	-40.86
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007675364	0	33	-1.0	-50.95	303.62	1.91	-49.04
C=CC(C)C(NS(=O)(=O)C1=CN=C(CC)S1)C(=O)[O-]	REAL300007675365	0	34	-1.0	-52.35	311.94	2.61	-49.74
C=CC(C)C(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007675366	0	39	-1.0	-46.50	328.05	3.81	-42.69
C=CC(C)C(NS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300007675367	0	35	-1.0	-42.78	306.96	4.34	-38.44
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007675368	0	38	-1.0	-60.02	332.67	5.52	-54.50
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007675369	0	35	-1.0	-54.10	313.18	2.76	-51.34
C=CC(C)C(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300007675370	0	38	-1.0	-49.39	332.88	5.42	-43.97
C=CC(C)C(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007675371	0	39	-1.0	-47.51	340.00	3.85	-43.66
C=CC(C)C(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007675372	0	45	-1.0	-60.36	381.65	5.54	-54.82
C=CC(C)C(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007675373	0	36	-1.0	-60.13	320.62	4.11	-56.02
C=CC(C)C(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007675374	0	34	-1.0	-57.62	317.38	3.63	-53.99
C=CC(C)C(NS(=O)(=O)CC1=CSC(C)=N1)C(=O)[O-]	REAL300007675375	0	34	-1.0	-45.87	307.11	2.34	-43.53
C=CC(C)C(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007675376	0	35	-1.0	-54.75	326.17	5.31	-49.44
C=CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300007675377	0	35	-1.0	-41.08	323.61	5.29	-35.79
C=CC(C)C(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007675378	0	38	-1.0	-51.33	327.39	4.96	-46.37
C=CC(C)C(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300007675379	0	41	-1.0	-54.09	373.56	5.58	-48.51
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007675380	0	40	-1.0	-47.55	339.21	5.38	-42.17
C=CC(C)C(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007675381	0	39	-1.0	-47.34	344.38	1.84	-45.50
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007675382	0	41	-1.0	-50.07	340.62	4.40	-45.67
C=CC(C)C(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007675383	0	35	-1.0	-40.47	325.12	5.27	-35.20
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCCCCCCCC)C=C1)C(=O)[O-]	REAL300007675384	0	57	-1.0	-42.96	459.62	8.91	-34.05
C=CC(C)C(NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300007675385	0	45	-1.0	-44.29	376.54	5.83	-38.46
C=CC(C)C(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300007675386	0	45	-1.0	-41.14	353.87	4.28	-36.86
C=CC(C)C(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300007675387	0	48	-1.0	-42.72	368.45	4.98	-37.74
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007675388	0	46	-1.0	-44.31	405.55	7.55	-36.76
C=CC(C)C(NS(=O)(=O)CC(OCC)C1CC1)C(=O)[O-]	REAL300007675389	0	42	-1.0	-57.79	351.29	4.38	-53.41
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007675390	0	51	-1.0	-44.51	419.60	7.24	-37.27
C=CC(C)C(NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300007675391	0	45	-1.0	-56.57	370.94	6.33	-50.24
C=CC(C)C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007675392	0	35	-1.0	-52.22	320.86	3.52	-48.70
C=CC(C)C(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007675393	0	40	-1.0	-51.20	345.29	6.51	-44.69
C=CC(C)C(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007675394	0	39	-1.0	-41.89	330.26	3.94	-37.95
C=CC(C)C(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007675395	0	45	-1.0	-52.97	381.46	6.06	-46.91
C=CC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007675396	0	35	-1.0	-39.99	324.59	2.73	-37.26
C=CC(C)C(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007675397	0	43	-1.0	-44.70	388.72	8.28	-36.42
C=CC(C)C(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007675398	0	42	-1.0	-57.03	350.71	7.43	-49.60
C=CC(C)C(NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300007675399	0	45	-1.0	-56.50	367.98	5.72	-50.78
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007675400	0	38	-1.0	-39.18	350.49	5.85	-33.33
C=CC(C)C(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007675401	1	34	-1.0	-48.47	311.10	3.07	-45.40
C=CC(C)C(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300007675402	0	41	-1.0	-47.78	338.35	7.25	-40.53
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300007675403	0	41	-1.0	-42.52	348.44	2.54	-39.98
C=CC(C)C(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300007675404	0	36	-1.0	-52.59	315.85	4.06	-48.53
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007675405	0	48	-1.0	-44.81	398.11	6.44	-38.37
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007675406	0	44	-1.0	-44.41	366.30	6.45	-37.96
C=CC(C)C(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007675407	0	51	-1.0	-55.64	411.30	8.60	-47.04
C=CC(C)C(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007675408	0	42	-1.0	-49.28	342.13	4.13	-45.15
C=CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007675409	0	44	-1.0	-56.69	352.11	4.20	-52.49
C=CC(C)C(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007675410	0	42	-1.0	-53.50	355.58	4.46	-49.04
C=CC(C)C(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007675411	0	35	-1.0	-40.89	309.92	2.79	-38.10
C=CC(C)C(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007675412	0	39	-1.0	-44.08	339.84	4.19	-39.89
C=CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)C=C)C=C1	REAL300007675413	0	42	-1.0	-42.62	356.47	6.76	-35.86
C=CC(C)C(NS(=O)(=O)C1=CN(C)N=C1CC)C(=O)[O-]	REAL300007675414	0	38	-1.0	-46.94	318.25	2.98	-43.96
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007675415	0	54	-1.0	-44.14	441.10	8.02	-36.12
C=CC(C)C(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007675416	0	36	-1.0	-51.79	335.68	5.82	-45.97
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCCC)C(C(C)(C)C)=C1)C(=O)[O-]	REAL300007675417	0	54	-1.0	-45.49	432.16	7.90	-37.59
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCCC)C(CC)=C1)C(=O)[O-]	REAL300007675418	0	48	-1.0	-42.36	398.40	6.61	-35.75
C=CC(C)C(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300007675419	0	38	-1.0	-40.42	330.56	6.18	-34.24
C=CC(C)C(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007675420	0	38	-1.0	-40.24	347.55	6.05	-34.19
C=CC(C)C(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007675421	0	36	-1.0	-53.86	334.71	5.76	-48.10
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1CCC)C(=O)[O-]	REAL300007675422	0	41	-1.0	-55.00	336.07	6.48	-48.52
C=CC(C)C(NS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300007675423	0	35	-1.0	-45.96	291.04	1.13	-44.83
C=CC(C)C(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007675424	0	48	-1.0	-45.87	393.30	6.75	-39.12
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007675425	0	37	-1.0	-50.26	324.59	4.72	-45.54
C=CC(C)C(NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300007675426	0	35	-1.0	-49.78	306.77	4.68	-45.10
C=CC(C)C(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007675427	0	39	-1.0	-46.76	329.16	3.68	-43.08
C=CC(C)C(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007675428	0	39	-1.0	-54.62	331.76	3.84	-50.78
C=CC(C)C(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007675429	0	42	-1.0	-42.43	340.72	4.26	-38.17
C=CC(C)C(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007675430	0	43	-1.0	-45.06	341.31	2.37	-42.69
C=CC(C)C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007675431	0	38	-1.0	-54.04	348.66	4.93	-49.11
C=CC(C)C(NS(=O)(=O)C1=CN=C2CCCCN21)C(=O)[O-]	REAL300007675432	0	39	-1.0	-46.92	318.55	3.90	-43.02
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCCCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007675433	0	57	-1.0	-44.33	462.60	8.81	-35.52
C=CC(C)C(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300007675434	0	48	-1.0	-56.69	382.53	6.06	-50.63
C=CC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300007675435	0	42	-1.0	-42.15	349.86	5.70	-36.45
C=CC(C)C(NS(=O)(=O)C1=CC=C(OCCOCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007675436	0	55	-1.0	-43.72	449.30	6.56	-37.16
C=CC(C)C(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300007675437	0	40	-1.0	-57.95	343.34	4.80	-53.15
C=CC(C)C(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007675438	0	40	-1.0	-51.92	349.79	3.67	-48.25
C=CC(C)C(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007675439	0	38	-1.0	-57.39	332.09	4.63	-52.76
C=CC(C)C(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300007675440	0	37	-1.0	-63.17	327.23	3.68	-59.49
C=CC(C)C(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300007675441	0	41	-1.0	-52.46	330.04	4.00	-48.46
C=CC(C)C(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007675442	0	36	-1.0	-45.11	327.80	4.21	-40.90
C=CC(C)C(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300007675443	0	33	-1.0	-42.33	297.29	2.84	-39.49
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007675444	0	35	-1.0	-46.54	318.12	5.45	-41.09
C=CC(C)C(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007675445	0	39	-1.0	-44.08	334.49	3.83	-40.25
C=CC(C)C(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300007675446	0	41	-1.0	-54.18	333.36	6.26	-47.92
C=CC(C)C(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300007675447	0	40	-1.0	-56.00	339.62	3.87	-52.13
C=CC(C)C(NS(=O)(=O)C1=COC2=CC=CC=C21)C(=O)[O-]	REAL300007675448	0	35	-1.0	-44.31	301.31	3.90	-40.41
C=CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007675449	0	45	-1.0	-52.88	369.47	4.75	-48.13
C=CC(C)C(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300007675450	0	44	-1.0	-45.97	354.40	4.46	-41.51
C=CC(C)C(NS(=O)(=O)C1=CN(CCCC)N=C1C)C(=O)[O-]	REAL300007675451	0	44	-1.0	-47.38	370.74	4.72	-42.66
C=CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007675452	0	39	-1.0	-46.61	343.53	4.04	-42.57
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007675453	0	36	-1.0	-47.47	321.66	3.63	-43.84
C=CC(C)C(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007675454	0	37	-1.0	-56.69	312.67	2.41	-54.28
C=CC(C)C(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300007675455	0	38	-1.0	-39.16	334.30	6.05	-33.11
C=CC(C)C(NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300007675456	0	43	-1.0	-42.19	342.63	4.58	-37.61
C=CC(C)C(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007675457	0	38	-1.0	-40.51	356.02	5.30	-35.21
C=CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007675458	0	42	-1.0	-52.44	356.66	4.37	-48.07
C=CC(C)C(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300007675459	0	50	-1.0	-41.55	394.46	8.04	-33.51
C=CC(C)C(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007675460	0	38	-1.0	-40.52	359.34	6.06	-34.46
C=CC(C)C(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007675461	0	42	-1.0	-50.61	360.51	4.73	-45.88
C=CC(C)C(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007675462	0	36	-1.0	-57.45	314.01	5.01	-52.44
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007675463	0	43	-1.0	-57.52	379.97	6.82	-50.70
C=CC(C)C(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007675464	0	41	-1.0	-55.25	348.64	5.39	-49.86
C=CC(C)C(NS(=O)(=O)C1=CC=CC(CCC)=C1)C(=O)[O-]	REAL300007675465	0	41	-1.0	-54.52	344.62	6.19	-48.33
C=CC(C)C(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007675466	0	39	-1.0	-46.51	323.59	3.51	-43.00
C=CC(C)C(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007675467	0	41	-1.0	-43.62	325.51	3.66	-39.96
C=CC(C)C(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007675468	0	41	-1.0	-50.92	351.08	3.80	-47.12
C=CC(C)C(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007675469	0	39	-1.0	-45.09	330.62	3.09	-42.00
C=CC(C)C(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007675470	0	37	-1.0	-47.76	331.24	3.80	-43.96
C=CC(C)C(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007675471	0	35	-1.0	-47.50	330.96	5.15	-42.35
C=CC(C)C(NS(=O)(=O)C1=CC=CC(C(=O)CCC)=C1)C(=O)[O-]	REAL300007675472	0	43	-1.0	-48.43	372.71	6.23	-42.20
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007675473	0	43	-1.0	-56.89	351.86	7.07	-49.82
C=CC(C)C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007675474	0	38	-1.0	-42.30	350.24	5.22	-37.08
C=CC(C)C(NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007675475	0	38	-1.0	-44.83	323.14	4.50	-40.33
C=CC(C)C(NS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007675476	0	39	-1.0	-58.10	333.14	2.34	-55.76
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300007675477	0	42	-1.0	-41.59	375.46	4.75	-36.84
C=CC(C)C(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007675478	0	32	-1.0	-40.50	294.87	4.25	-36.25
C=CC(C)C(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300007675479	0	39	-1.0	-44.11	337.30	6.30	-37.81
C=CC(C)C(NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300007675480	0	33	-1.0	-41.73	290.23	2.57	-39.16
C=CC(C)C(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007675481	0	42	-1.0	-45.60	347.23	4.67	-40.93
C=CC(C)C(NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300007675482	0	41	-1.0	-51.01	338.45	3.57	-47.44
C=CC(C)C(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007675483	0	46	-1.0	-39.84	352.32	5.01	-34.83
C=CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007675484	0	46	-1.0	-46.05	375.37	3.06	-42.99
C=CC(C)C(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007675485	0	38	-1.0	-43.35	339.73	5.70	-37.65
C=CC(C)C(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007675486	0	36	-1.0	-45.32	327.38	3.76	-41.56
C=CC(C)C(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007675487	0	47	-1.0	-41.81	383.66	6.85	-34.96
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300007675488	0	33	-1.0	-53.97	305.46	2.46	-51.51
C=CC(C)C(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007675489	0	43	-1.0	-51.35	354.87	6.44	-44.91
C=CC(C)C(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007675490	0	40	-1.0	-39.39	337.78	4.18	-35.21
C=CC(C)C(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300007675491	0	35	-1.0	-54.26	320.84	2.81	-51.45
C=CC(C)C(NS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300007675492	0	42	-1.0	-42.94	363.43	4.86	-38.08
C=CC(C)C(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007675493	0	42	-1.0	-45.90	362.66	5.31	-40.59
C=CC(C)C(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007675494	0	45	-1.0	-53.40	374.56	5.06	-48.34
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007675495	0	43	-1.0	-51.25	374.48	6.93	-44.32
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300007675496	0	35	-1.0	-57.42	304.50	5.09	-52.33
C=CC(C)C(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300007675497	0	38	-1.0	-49.79	343.55	5.82	-43.97
C=CC(C)C(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300007675498	0	41	-1.0	-58.19	340.15	6.92	-51.27
C=CC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007675499	0	42	-1.0	-49.28	349.07	5.23	-44.05
C=CC(C)C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675500	0	36	-1.0	-43.43	317.58	5.25	-38.18
C=CC(C)C(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007675501	0	36	-1.0	-51.71	340.24	5.92	-45.79
C=CC(C)C(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007675502	0	36	-1.0	-45.13	335.60	5.87	-39.26
C=CC(C)C(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007675503	0	37	-1.0	-42.11	329.90	-1.93	-44.04
C=CC(C)C(NS(=O)(=O)C1=CN=C2C=CC=CN21)C(=O)[O-]	REAL300007675504	0	35	-1.0	-49.67	309.50	4.47	-45.20
C=CC(C)C(NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300007675505	0	38	-1.0	-37.59	319.27	4.52	-33.07
C=CC(C)C(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007675506	0	34	-1.0	-45.51	310.22	3.38	-42.13
C=CC(C)C(NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300007675507	0	40	-1.0	-43.99	336.33	1.24	-42.75
C=CC(C)C(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007675508	0	41	-1.0	-52.30	348.26	4.22	-48.08
C=CC(C)C(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007675509	0	49	-1.0	-58.13	357.09	6.86	-51.27
C=CC(C)C(NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300007675510	0	42	-1.0	-61.07	340.67	3.16	-57.91
C=CC(C)C(NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300007675511	0	35	-1.0	-65.06	311.85	-0.34	-65.40
C=CC(C)C(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007675512	0	40	-1.0	-47.37	319.97	4.48	-42.89
C=CC(C)C(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007675513	0	40	-1.0	-54.23	349.77	0.82	-53.41
C=CC(C)C(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007675514	0	45	-1.0	-57.34	361.47	4.45	-52.89
C=CC(C)C(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300007675515	0	42	-1.0	-56.79	351.39	6.28	-50.51
C=CC(C)C(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007675516	0	36	-1.0	-47.26	329.48	3.08	-44.18
C=CC(C)C(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007675517	0	42	-1.0	-40.45	366.23	6.97	-33.48
C=CC(C)C(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007675518	0	41	-1.0	-61.58	333.31	1.43	-60.15
C=CC(C)C(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007675519	0	45	-1.0	-42.59	348.51	6.02	-36.57
C=CC(C)C(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007675520	0	36	-1.0	-55.86	325.51	5.34	-50.52
C=CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007675521	0	54	-1.0	-44.69	413.58	8.27	-36.42
C=CC(C)C(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007675522	0	43	-1.0	-45.16	352.08	4.87	-40.29
C=CC(C)C(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300007675523	0	37	-1.0	-55.07	330.44	1.65	-53.42
C=CC(C)C(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300007675524	0	44	-1.0	-44.17	346.00	4.60	-39.57
C=CC(C)C(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007675525	0	43	-1.0	-54.15	358.29	5.82	-48.33
C=CC(C)C(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007675526	0	36	-1.0	-58.42	325.39	4.28	-54.14
C=CC(C)C(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007675527	0	36	-1.0	-56.51	316.72	3.52	-52.99
C=CC(C)C(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007675528	0	36	-1.0	-43.97	329.49	3.74	-40.23
C=CC(C)C(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007675529	0	38	-1.0	-52.83	324.33	3.91	-48.92
C=CC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300007675530	0	39	-1.0	-57.41	339.49	5.83	-51.58
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007675531	0	41	-1.0	-51.73	366.20	4.57	-47.16
C=CC(C)C(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007675532	0	45	-1.0	-49.63	370.18	6.41	-43.22
C=CC(C)C(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007675533	0	43	-1.0	-45.87	376.82	7.02	-38.85
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007675534	0	38	-1.0	-64.91	315.90	5.32	-59.59
C=CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007675535	0	33	-1.0	-43.43	326.33	2.85	-40.58
C=CC(C)C(NS(=O)(=O)C1=CC=CC(OCC(=C)C)=C1)C(=O)[O-]	REAL300007675536	0	43	-1.0	-45.38	371.77	5.81	-39.57
C=CC(C)C(NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300007675537	0	42	-1.0	-47.18	365.00	4.89	-42.29
C=CC(C)C(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300007675538	0	36	-1.0	-62.55	325.03	3.50	-59.05
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007675539	0	38	-1.0	-43.48	350.78	6.97	-36.51
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007675540	0	42	-1.0	-51.34	376.74	8.00	-43.34
C=CC(C)C(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007675541	0	31	-1.0	-52.89	309.90	2.47	-50.42
C=CC(C)C(NS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300007675542	0	38	-1.0	-39.53	342.90	5.97	-33.56
C=CC(C)C(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007675543	0	45	-1.0	-50.43	367.71	5.21	-45.22
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007675544	0	29	-1.0	-37.62	292.90	3.64	-33.98
C=CC(C)C(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300007675545	0	46	-1.0	-43.08	374.90	4.76	-38.32
C=CC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007675546	0	38	-1.0	-54.90	340.24	6.90	-48.00
C=CC(C)C(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007675547	0	40	-1.0	-48.86	330.24	1.74	-47.12
C=CC(C)C(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300007675548	0	39	-1.0	-57.08	324.27	6.27	-50.81
C=CC(C)C(NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300007675549	0	43	-1.0	-53.26	331.06	3.95	-49.31
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007675550	0	47	-1.0	-44.43	384.29	4.43	-40.00
C=CC(C)C(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300007675551	0	35	-1.0	-44.01	324.49	1.78	-42.23
C=CC(C)C(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300007675552	0	38	-1.0	-51.23	328.40	1.41	-49.82
C=CC(C)C(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300007675553	0	41	-1.0	-55.15	355.59	4.22	-50.93
C=CC(C)C(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300007675554	0	41	-1.0	-47.48	346.84	3.71	-43.77
C=CC(C)C(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007675555	0	42	-1.0	-38.35	331.75	1.52	-36.83
C=CC(C)C(NS(=O)(=O)CC1=NOC(COC)=C1)C(=O)[O-]	REAL300007675556	0	38	-1.0	-56.83	341.55	1.97	-54.86
C=CC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007675557	0	37	-1.0	-39.76	335.99	6.24	-33.52
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007675558	0	43	-1.0	-45.64	356.40	4.46	-41.18
C=CC(C)C(NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300007675559	0	38	-1.0	-48.57	327.04	3.33	-45.24
C=CC(C)C(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007675560	0	39	-1.0	-49.10	336.42	4.29	-44.81
C=CC(C)C(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007675561	0	39	-1.0	-56.87	334.72	4.90	-51.97
C=CC(C)C(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300007675562	0	34	-1.0	-45.70	312.19	2.99	-42.71
C=CC(C)C(NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300007675563	0	37	-1.0	-49.28	323.28	4.58	-44.70
C=CC(C)C(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300007675564	0	41	-1.0	-44.08	341.95	3.79	-40.29
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300007675565	0	46	-1.0	-44.43	387.93	7.53	-36.90
C=CC(C)C(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007675566	0	37	-1.0	-54.31	312.58	5.09	-49.22
C=CC(C)C(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007675567	0	35	-1.0	-51.17	308.76	3.55	-47.62
C=CC(C)C(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007675568	0	40	-1.0	-45.29	335.60	-0.22	-45.51
C=CC(C)C(NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300007675569	0	39	-1.0	-43.10	318.93	2.31	-40.79
C=CC(C)C(NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300007675570	0	38	-1.0	-40.93	320.71	3.54	-37.39
C=CC(C)C(NS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300007675571	0	35	-1.0	-47.66	304.84	1.37	-46.29
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300007675572	0	39	-1.0	-45.51	326.92	4.64	-40.87
C=CC(C)C(NS(=O)(=O)C1=CC=C(OC)C=N1)C(=O)[O-]	REAL300007675573	0	35	-1.0	-44.73	309.42	1.43	-43.30
C=CC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300007675574	0	38	-1.0	-52.10	346.55	2.17	-49.93
C=CC(C)C(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300007675575	0	37	-1.0	-54.33	318.80	4.48	-49.85
C=CC(C)C(NS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300007675576	0	38	-1.0	-62.09	323.32	3.29	-58.80
C=CC(C)C(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007675577	0	40	-1.0	-50.01	328.99	5.71	-44.30
C=CC(C)C(NS(=O)(=O)C1=CNC2=CC=CC=C21)C(=O)[O-]	REAL300007675578	0	36	-1.0	-46.87	304.77	3.57	-43.30
C=CC(C)C(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300007675579	0	34	-1.0	-49.70	309.47	2.99	-46.71
C=CC(C)C(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007675580	0	39	-1.0	-43.90	343.86	4.57	-39.33
C=CC(C)C(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300007675581	0	45	-1.0	-44.82	363.24	6.29	-38.53
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=C1)OC1=CC=C(F)C=C1	REAL300007675582	0	36	-1.0	-47.25	329.64	5.43	-41.82
O=C([O-])C(CNS(=O)(=O)C1=CC=CC(F)=C1)OC1=CC=C(F)C=C1	REAL300007675583	0	36	-1.0	-45.19	335.81	5.49	-39.70
CC(=O)C1=CC=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675584	0	41	-1.0	-51.96	372.18	5.90	-46.06
CN(C)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675585	0	34	-1.0	-45.89	306.51	2.55	-43.34
CCCCN(C)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675586	0	43	-1.0	-45.68	370.93	5.07	-40.61
CCCCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675587	0	38	-1.0	-47.08	336.25	4.67	-42.41
CCCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675588	0	35	-1.0	-47.12	314.76	3.89	-43.23
O=C([O-])C(CNS(=O)(=O)C1=CC=CS1)OC1=CC=C(F)C=C1	REAL300007675589	0	33	-1.0	-47.08	321.34	4.43	-42.65
CCC(C)C1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675590	0	48	-1.0	-46.45	408.09	8.01	-38.44
CC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300007675591	0	36	-1.0	-47.58	343.47	5.23	-42.35
O=C([O-])C(CNS(=O)(=O)C1=CC=C(Cl)S1)OC1=CC=C(F)C=C1	REAL300007675592	0	33	-1.0	-45.32	338.62	5.05	-40.27
COC1=CC=C(C)C=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675593	0	43	-1.0	-49.00	371.58	5.92	-43.08
O=C([O-])C(CNS(=O)(=O)N1CCOCC1)OC1=CC=C(F)C=C1	REAL300007675594	0	39	-1.0	-45.53	337.91	2.14	-43.39
CC1=CC(Cl)=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675595	0	39	-1.0	-45.13	361.12	6.84	-38.29
CN1C=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300007675596	0	36	-1.0	-47.72	333.95	3.12	-44.60
CCN(CC)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675597	0	40	-1.0	-46.09	342.62	4.17	-41.92
CN(C1CCCCC1)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675598	0	47	-1.0	-45.32	386.56	5.88	-39.44
CC1=NN(C)C(C)=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675599	0	42	-1.0	-49.89	366.34	4.46	-45.43
O=C([O-])C(CNS(=O)(=O)C1=CC=C2OCCOC2=C1)OC1=CC=C(F)C=C1	REAL300007675600	0	42	-1.0	-48.40	374.15	4.59	-43.81
CCC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675601	0	42	-1.0	-46.70	372.31	6.86	-39.84
CC1=NNC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675602	0	36	-1.0	-47.96	331.69	2.39	-45.57
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675603	0	41	-1.0	-51.71	364.83	7.86	-43.85
CC1=CC(F)=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675604	0	39	-1.0	-47.32	357.47	6.16	-41.16
O=C([O-])C(CNS(=O)(=O)CCC1CC1)OC1=CC=C(F)C=C1	REAL300007675605	0	39	-1.0	-47.44	346.61	5.47	-41.97
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CC=C2OC1)OC1=CC=C(F)C=C1	REAL300007675606	0	42	-1.0	-47.52	375.08	5.91	-41.61
COCC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675607	0	43	-1.0	-47.43	384.49	5.15	-42.28
CCOC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300007675608	0	42	-1.0	-45.85	378.69	3.05	-42.80
CS(=O)(=O)CCCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675609	0	41	-1.0	-59.26	378.39	1.46	-57.80
COC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1C	REAL300007675610	0	46	-1.0	-47.73	389.61	6.24	-41.49
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CN=C2C=C1)OC1=CC=C(F)C=C1	REAL300007675611	0	41	-1.0	-48.61	370.62	5.81	-42.80
O=C([O-])C(CNS(=O)(=O)CC1=NOC=C1)OC1=CC=C(F)C=C1	REAL300007675612	0	35	-1.0	-53.20	328.09	3.40	-49.80
CC1=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=NN1C	REAL300007675613	0	39	-1.0	-50.49	351.51	3.69	-46.80
CN(C1CCOCC1)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675614	0	45	-1.0	-45.56	376.46	3.50	-42.06
O=C([O-])C(CNS(=O)(=O)N1CC2CCC1C2)OC1=CC=C(F)C=C1	REAL300007675615	0	42	-1.0	-47.11	356.88	4.96	-42.15
CCN1N=C(C)C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1C	REAL300007675616	0	45	-1.0	-46.80	389.08	5.36	-41.44
CC(C)N1C=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300007675617	0	42	-1.0	-47.22	374.41	4.51	-42.71
CC(C)CN1C=NC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675618	0	45	-1.0	-54.22	394.19	6.39	-47.83
CC(C)N1C=NC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675619	0	42	-1.0	-54.36	375.09	5.81	-48.55
CC(C)C1=NC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=CN1	REAL300007675620	0	42	-1.0	-54.83	373.45	3.87	-50.96
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675621	0	48	-1.0	-47.50	381.74	7.94	-39.56
O=C([O-])C(CNS(=O)(=O)CC1CCCOC1)OC1=CC=C(F)C=C1	REAL300007675622	0	43	-1.0	-48.33	363.22	4.15	-44.18
CC1=C(F)C=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675623	0	39	-1.0	-45.91	349.49	6.35	-39.56
O=C([O-])C(CNS(=O)(=O)C1=CC=C(C(F)F)C=C1)OC1=CC=C(F)C=C1	REAL300007675624	0	39	-1.0	-47.27	361.60	6.29	-40.98
COCCC(C)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675625	0	42	-1.0	-46.67	359.02	4.03	-42.64
COC1=CC=C(F)C=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675626	0	40	-1.0	-46.66	356.60	5.31	-41.35
CCC(C)CS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675627	0	41	-1.0	-46.82	348.72	5.29	-41.53
CCN(CC1CC1)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675628	0	44	-1.0	-47.19	371.57	5.52	-41.67
CCCN1C=NC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675629	0	42	-1.0	-54.35	376.97	6.18	-48.17
O=C([O-])C(CNS(=O)(=O)CCOCC1CC1)OC1=CC=C(F)C=C1	REAL300007675630	0	43	-1.0	-47.14	380.48	4.71	-42.43
COCC(C)CS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675631	0	42	-1.0	-47.78	363.43	3.74	-44.04
CCOCC(C)CS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675632	0	45	-1.0	-47.77	385.28	4.71	-43.06
O=C([O-])C(CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)OC1=CC=C(F)C=C1	REAL300007675633	0	44	-1.0	-47.03	387.69	3.17	-43.86
CC(C)C1=CC=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675634	0	45	-1.0	-47.74	383.64	7.52	-40.22
O=C([O-])C(CNS(=O)(=O)CCCN1CCOCC1)OC1=CC=C(F)C=C1	REAL300007675635	0	48	-1.0	-48.62	403.11	2.39	-46.23
CCOC1=CC=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675636	0	43	-1.0	-47.60	381.02	5.65	-41.95
COCCN1C=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300007675637	0	43	-1.0	-47.28	389.40	3.03	-44.25
CC(C)(C)CCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675638	0	44	-1.0	-46.78	369.99	5.59	-41.19
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CC=C2N=C1)OC1=CC=C(F)C=C1	REAL300007675639	0	41	-1.0	-50.91	370.84	5.80	-45.11
CC1CCN(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300007675640	0	41	-1.0	-46.35	353.75	4.39	-41.96
COCC1=CC=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675641	0	43	-1.0	-46.87	376.35	5.53	-41.34
O=C([O-])C(CNS(=O)(=O)C1=CN(CC(F)F)N=C1)OC1=CC=C(F)C=C1	REAL300007675642	0	39	-1.0	-52.44	367.58	4.32	-48.12
CSC1=CC=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675643	0	40	-1.0	-49.53	353.92	5.59	-43.94
CCC1=CC=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675644	0	42	-1.0	-46.69	372.30	6.85	-39.84
CCC1=CC=C(CS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675645	0	45	-1.0	-48.43	396.07	7.57	-40.86
O=C([O-])C(CNS(=O)(=O)CCC1=CC=CS1)OC1=CC=C(F)C=C1	REAL300007675646	0	39	-1.0	-47.84	364.91	6.01	-41.83
CC1=CC=C(CS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1C	REAL300007675647	0	45	-1.0	-49.04	391.60	7.33	-41.71
CC(C)CN(C)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675648	0	43	-1.0	-45.86	364.55	4.70	-41.16
CCN(C)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675649	0	37	-1.0	-45.77	327.94	3.53	-42.24
CN(C1CCCC1)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675650	0	44	-1.0	-45.19	368.11	5.20	-39.99
CCCN(C)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675651	0	40	-1.0	-45.64	349.44	4.29	-41.35
CC1(C)CN(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CCO1	REAL300007675652	0	45	-1.0	-45.40	375.59	3.62	-41.78
CC1=NOC(CS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675653	0	38	-1.0	-49.33	350.11	4.29	-45.04
CCS(=O)(=O)NCCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675654	0	43	-1.0	-53.83	393.26	0.16	-53.67
O=C([O-])C(CNS(=O)(=O)CCC1CCCO1)OC1=CC=C(F)C=C1	REAL300007675655	0	43	-1.0	-49.55	371.19	4.22	-45.33
CC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1N(C)C	REAL300007675656	0	47	-1.0	-47.34	404.25	6.08	-41.26
O=C([O-])C(CNS(=O)(=O)C1=C2OCCCN2N=C1)OC1=CC=C(F)C=C1	REAL300007675657	0	41	-1.0	-49.52	362.51	2.36	-47.16
O=C([O-])C(CNS(=O)(=O)CCOCC1CCCC1)OC1=CC=C(F)C=C1	REAL300007675658	0	49	-1.0	-46.96	414.17	5.87	-41.09
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675659	0	48	-1.0	-46.81	403.48	5.91	-40.90
COC(C)CS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675660	0	39	-1.0	-48.10	345.59	3.36	-44.74
CN1N=CC2=CC(S(=O)(=O)NCC(OC3=CC=C(F)C=C3)C(=O)[O-])=CN=C21	REAL300007675661	0	41	-1.0	-47.76	373.76	4.55	-43.21
O=C([O-])C(CNS(=O)(=O)C1=CN2CCCCC2=N1)OC1=CC=C(F)C=C1	REAL300007675662	0	43	-1.0	-55.37	373.41	5.60	-49.77
CC1(CS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CCCCC1	REAL300007675663	0	48	-1.0	-46.56	379.26	6.92	-39.64
CN1N=NC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675664	0	35	-1.0	-44.64	322.83	1.87	-42.77
CC1=CC=C(CS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(F)=C1	REAL300007675665	0	42	-1.0	-51.56	379.83	6.83	-44.73
O=C([O-])C(CNS(=O)(=O)CCC1CCC1)OC1=CC=C(F)C=C1	REAL300007675667	0	42	-1.0	-47.09	363.01	5.97	-41.12
CC(C)(C)CCCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675668	0	47	-1.0	-46.93	391.48	6.36	-40.57
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)OC1=CC=C(F)C=C1	REAL300007675669	0	39	-1.0	-48.16	365.83	5.88	-42.28
CC1=C(CCS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])SC=N1	REAL300007675670	0	41	-1.0	-48.63	378.66	4.65	-43.98
COCC1(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300007675671	0	40	-1.0	-48.35	355.50	4.41	-43.94
O=C([O-])C(CNS(=O)(=O)CC12CCC(CC1)C2)OC1=CC=C(F)C=C1	REAL300007675672	0	46	-1.0	-47.09	374.07	6.87	-40.22
O=C([O-])C(CNS(=O)(=O)CC1CC(F)(F)C1)OC1=CC=C(F)C=C1	REAL300007675673	0	39	-1.0	-48.44	354.76	5.36	-43.08
O=C([O-])C(CNS(=O)(=O)CC12CCC(CC1)CC2)OC1=CC=C(F)C=C1	REAL300007675674	0	49	-1.0	-46.98	386.85	7.43	-39.55
O=C([O-])C(CNS(=O)(=O)CCC1CCOC1)OC1=CC=C(F)C=C1	REAL300007675675	0	43	-1.0	-48.45	368.73	3.91	-44.54
O=C([O-])C(CNS(=O)(=O)CC1CCCCC1(F)F)OC1=CC=C(F)C=C1	REAL300007675676	0	45	-1.0	-47.81	382.68	6.58	-41.23
O=C([O-])C(CNS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)OC1=CC=C(F)C=C1	REAL300007675677	0	43	-1.0	-47.44	380.36	7.53	-39.91
CN1C=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300007675678	0	36	-1.0	-50.66	334.49	2.96	-47.70
O=C([O-])C(CNS(=O)(=O)C1=CC=C(Cl)C=C1)OC1=CC=C(F)C=C1	REAL300007675679	0	36	-1.0	-44.71	346.15	5.94	-38.77
O=C([O-])C(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)OC1=CC=C(F)C=C1	REAL300007675680	0	38	-1.0	-45.39	357.64	6.09	-39.30
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)OC1=CC=C(F)C=C1	REAL300007675681	0	42	-1.0	-48.62	375.61	7.71	-40.91
O=C([O-])C(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)OC1=CC=C(F)C=C1	REAL300007675682	0	38	-1.0	-46.51	357.62	6.09	-40.42
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675683	0	41	-1.0	-50.73	372.57	6.97	-43.76
COC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675684	0	40	-1.0	-46.70	358.91	4.72	-41.98
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])OC1=CC=C(F)C=C1	REAL300007675685	0	38	-1.0	-52.87	347.45	6.94	-45.93
CC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675686	0	39	-1.0	-46.96	350.85	6.10	-40.86
CCOC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675687	0	43	-1.0	-46.50	380.76	5.64	-40.86
CC1=CC(C)=C(C)C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1C	REAL300007675688	0	48	-1.0	-46.30	390.43	8.01	-38.29
CC1=CC(C)=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300007675689	0	45	-1.0	-46.28	379.65	7.73	-38.55
CC1=CC=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675690	0	39	-1.0	-47.15	351.07	6.09	-41.06
O=C([O-])C(CNS(=O)(=O)C=CC1=CC=CC=C1)OC1=CC=C(F)C=C1	REAL300007675691	0	40	-1.0	-47.86	361.34	6.61	-41.25
O=C([O-])C(CNS(=O)(=O)C1=CC=CC(Cl)=C1)OC1=CC=C(F)C=C1	REAL300007675692	0	36	-1.0	-44.98	346.14	5.94	-39.04
CC(=O)C1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675693	0	41	-1.0	-47.73	369.88	5.81	-41.92
CC1=CC=C(C)C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675694	0	42	-1.0	-47.68	365.76	6.97	-40.71
CC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1C	REAL300007675695	0	42	-1.0	-47.60	368.06	6.63	-40.97
CC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300007675696	0	42	-1.0	-47.42	366.56	6.90	-40.52
CC(C)(C)C1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675697	0	48	-1.0	-46.53	405.64	7.74	-38.79
CC(C)C1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675698	0	45	-1.0	-46.54	389.65	7.35	-39.19
CCCCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675699	0	38	-1.0	-47.08	336.25	4.67	-42.41
CCCC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675700	0	45	-1.0	-46.48	393.81	7.64	-38.84
COC1=CC=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675701	0	40	-1.0	-49.14	350.17	5.25	-43.89
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC=C1)OC1=CC=C(F)C=C1	REAL300007675702	0	39	-1.0	-48.70	353.18	6.12	-42.58
CC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007675703	0	41	-1.0	-46.75	373.56	6.60	-40.15
CC1=NNC(C)=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675704	0	39	-1.0	-45.65	345.86	3.26	-42.39
O=C([O-])C(CNS(=O)(=O)C1=CC=C2CCCCC2=C1)OC1=CC=C(F)C=C1	REAL300007675705	0	46	-1.0	-47.60	392.37	7.92	-39.68
COC1=CC=C(OC)C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675706	0	44	-1.0	-49.27	379.61	4.55	-44.72
COC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1OC	REAL300007675707	0	44	-1.0	-48.07	388.37	4.63	-43.44
O=C([O-])C(CNS(=O)(=O)C1=CC=C2CCCC2=C1)OC1=CC=C(F)C=C1	REAL300007675708	0	43	-1.0	-47.91	375.20	7.34	-40.57
CC1=NOC(C)=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675709	0	38	-1.0	-43.88	342.83	4.39	-39.49
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CC=C2CC1)OC1=CC=C(F)C=C1	REAL300007675710	0	44	-1.0	-47.22	383.90	7.82	-39.40
O=C([O-])C(CNS(=O)(=O)C1=CC=C2OCCC2=C1)OC1=CC=C(F)C=C1	REAL300007675711	0	41	-1.0	-47.49	365.57	5.27	-42.22
O=C([O-])C(CNS(=O)(=O)N1CCCCCC1)OC1=CC=C(F)C=C1	REAL300007675712	0	44	-1.0	-45.80	362.09	5.50	-40.30
O=C([O-])C(CNS(=O)(=O)N1CCCCC1)OC1=CC=C(F)C=C1	REAL300007675713	0	41	-1.0	-45.57	347.61	4.64	-40.93
O=C([O-])C(CNS(=O)(=O)N1CCCC1)OC1=CC=C(F)C=C1	REAL300007675714	0	38	-1.0	-46.35	332.87	3.77	-42.58
O=C([O-])C(CNS(=O)(=O)N1CCC2=CC=CC=C2C1)OC1=CC=C(F)C=C1	REAL300007675715	0	45	-1.0	-46.38	382.30	6.58	-39.80
CC1CCN(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300007675716	0	44	-1.0	-45.86	366.50	5.10	-40.76
CC1CC(C)CN(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300007675717	0	47	-1.0	-45.95	378.58	5.71	-40.24
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=CC=CC=C21)OC1=CC=C(F)C=C1	REAL300007675718	0	42	-1.0	-49.99	370.68	7.77	-42.22
CC1=CC=C(F)C=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675719	0	39	-1.0	-47.57	350.75	6.36	-41.21
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=NSN=C21)OC1=CC=C(F)C=C1	REAL300007675720	0	37	-1.0	-53.43	348.01	3.81	-49.62
COC1=CC=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675721	0	40	-1.0	-47.78	359.15	4.73	-43.05
CC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1Cl	REAL300007675722	0	39	-1.0	-47.48	365.11	6.54	-40.94
CC(C)OC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675723	0	46	-1.0	-47.16	398.72	6.28	-40.88
CCC1=CC=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675724	0	42	-1.0	-47.41	360.95	7.22	-40.19
CC1=CC=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675725	0	39	-1.0	-47.67	344.09	6.32	-41.35
CC1=NC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=CN1C	REAL300007675726	0	39	-1.0	-55.91	352.96	4.31	-51.60
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC(Cl)=C1)OC1=CC=C(F)C=C1	REAL300007675727	0	39	-1.0	-48.99	369.92	6.64	-42.35
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=NON=C21)OC1=CC=C(F)C=C1	REAL300007675728	0	37	-1.0	-56.60	340.55	4.13	-52.47
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=CC=CN=C21)OC1=CC=C(F)C=C1	REAL300007675729	0	41	-1.0	-55.50	361.85	6.55	-48.95
COC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1F	REAL300007675730	0	40	-1.0	-46.53	365.36	4.80	-41.73
CC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1F	REAL300007675731	0	39	-1.0	-48.06	356.36	6.14	-41.92
CC1=CC=C(CS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675732	0	42	-1.0	-48.71	374.59	6.80	-41.91
CN1C=NC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675733	0	36	-1.0	-55.46	333.67	4.52	-50.94
O=C([O-])C(CNS(=O)(=O)C1=CC=CN=C1)OC1=CC=C(F)C=C1	REAL300007675734	0	35	-1.0	-46.48	324.65	3.64	-42.84
CC1CCCCN1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675735	0	44	-1.0	-45.46	359.95	5.51	-39.95
CC(C)N(C)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675736	0	40	-1.0	-45.60	344.09	4.04	-41.56
CCCN(CCC)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675737	0	46	-1.0	-46.07	385.63	5.70	-40.37
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675738	0	41	-1.0	-45.50	372.62	7.00	-38.50
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675739	0	41	-1.0	-46.93	367.12	6.82	-40.11
CC(C)CC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675740	0	48	-1.0	-46.46	410.56	8.11	-38.35
COCCC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675741	0	46	-1.0	-47.09	405.98	5.93	-41.16
COCCN(CCOC)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675742	0	48	-1.0	-45.46	403.30	2.61	-42.85
CC1=CC=C(Cl)C=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675743	0	39	-1.0	-47.01	361.08	6.83	-40.18
O=C([O-])C(CNS(=O)(=O)C1CC1)OC1=CC=C(F)C=C1	REAL300007675744	0	33	-1.0	-46.92	302.72	3.96	-42.96
COC1=C(C)C=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1C	REAL300007675745	0	46	-1.0	-47.26	403.23	6.31	-40.95
CCCOC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675746	0	46	-1.0	-46.21	402.26	6.45	-39.76
COC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1C	REAL300007675747	0	43	-1.0	-47.05	379.21	5.47	-41.58
COC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300007675748	0	43	-1.0	-47.37	373.82	5.61	-41.76
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC=C1F)OC1=CC=C(F)C=C1	REAL300007675749	0	39	-1.0	-49.36	358.49	6.16	-43.20
CC1=NC(C)=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300007675750	0	38	-1.0	-46.51	356.16	3.92	-42.59
O=C([O-])C(CNS(=O)(=O)C1=CSC2=CC=CC=C12)OC1=CC=C(F)C=C1	REAL300007675751	0	39	-1.0	-47.64	355.66	6.31	-41.33
O=C([O-])C(CNS(=O)(=O)CC1CCCC1)OC1=CC=C(F)C=C1	REAL300007675752	0	42	-1.0	-47.22	356.62	5.85	-41.37
COC1=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1F	REAL300007675753	0	40	-1.0	-45.91	365.36	4.80	-41.11
O=C([O-])C(CNS(=O)(=O)C1=CSC=C1)OC1=CC=C(F)C=C1	REAL300007675754	0	33	-1.0	-45.49	320.76	4.32	-41.17
O=C([O-])C(CNS(=O)(=O)CC1CCCCC1)OC1=CC=C(F)C=C1	REAL300007675755	0	45	-1.0	-46.82	372.13	6.53	-40.29
CNC(=O)C1=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=CN1C	REAL300007675756	0	44	-1.0	-50.49	393.65	3.07	-47.42
COC1=CC(C)=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300007675757	0	46	-1.0	-46.60	387.74	6.36	-40.24
COC1=CC(C)=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1C	REAL300007675758	0	46	-1.0	-48.02	393.86	6.36	-41.66
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=CN=CC=C21)OC1=CC=C(F)C=C1	REAL300007675759	0	41	-1.0	-50.50	365.99	5.97	-44.53
CCC(=O)C1=CC=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675760	0	44	-1.0	-51.96	392.74	6.70	-45.26
CN(C1CC1)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675761	0	38	-1.0	-45.79	334.74	4.07	-41.72
O=C([O-])C(CNS(=O)(=O)C1=CN=C2NC=CC=C12)OC1=CC=C(F)C=C1	REAL300007675762	0	39	-1.0	-63.17	357.84	4.63	-58.54
CC1=CC=CC(CS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675763	0	42	-1.0	-48.78	374.59	6.79	-41.99
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC(F)=C1)OC1=CC=C(F)C=C1	REAL300007675764	0	39	-1.0	-49.60	359.60	6.19	-43.41
CC1=CC=CC=C1CS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675765	0	42	-1.0	-48.45	368.86	6.71	-41.74
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675766	0	46	-1.0	-49.55	393.41	6.84	-42.71
COCCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675767	0	36	-1.0	-47.07	326.93	2.17	-44.90
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=C1CCCC2)OC1=CC=C(F)C=C1	REAL300007675768	0	46	-1.0	-47.48	385.04	8.12	-39.36
O=C([O-])C(CNS(=O)(=O)C1=CC=C2COCC2=C1)OC1=CC=C(F)C=C1	REAL300007675769	0	41	-1.0	-46.72	365.38	4.72	-42.00
O=C([O-])C(CNS(=O)(=O)C1CCS(=O)(=O)CC1)OC1=CC=C(F)C=C1	REAL300007675770	0	42	-1.0	-53.92	373.35	1.93	-51.99
CCOC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300007675771	0	46	-1.0	-47.16	395.68	6.52	-40.64
CSC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675772	0	40	-1.0	-46.21	369.61	6.44	-39.77
CCCCCCCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675773	0	47	-1.0	-47.01	400.75	7.01	-40.00
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675774	0	47	-1.0	-47.30	397.86	7.21	-40.09
CCN1C=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])N=C1C	REAL300007675775	0	42	-1.0	-51.44	374.97	5.20	-46.24
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=C1OCCO2)OC1=CC=C(F)C=C1	REAL300007675776	0	42	-1.0	-48.81	364.22	4.99	-43.82
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=NC=CC=C21)OC1=CC=C(F)C=C1	REAL300007675777	0	41	-1.0	-49.26	365.81	5.86	-43.40
O=C([O-])C(CNS(=O)(=O)CC1CCCO1)OC1=CC=C(F)C=C1	REAL300007675778	0	40	-1.0	-49.70	348.85	3.74	-45.96
O=C([O-])C(CNS(=O)(=O)CC1CCCCO1)OC1=CC=C(F)C=C1	REAL300007675779	0	43	-1.0	-49.90	367.34	4.43	-45.47
O=C([O-])C(CNS(=O)(=O)CC1CC1)OC1=CC=C(F)C=C1	REAL300007675780	0	36	-1.0	-47.67	325.09	4.68	-42.99
COCC1=CC=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675781	0	43	-1.0	-47.91	384.71	5.15	-42.76
CCN1C=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300007675782	0	39	-1.0	-47.80	355.73	3.99	-43.81
O=C([O-])C(CNS(=O)(=O)CC1=CC=CC=C1Cl)OC1=CC=C(F)C=C1	REAL300007675783	0	39	-1.0	-48.17	366.74	6.56	-41.61
CC(C1CC1)N(C)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675784	0	44	-1.0	-45.58	370.17	5.40	-40.18
CN1N=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675785	0	36	-1.0	-46.21	324.79	2.81	-43.40
O=C([O-])C(CNS(=O)(=O)CC1CCOC1)OC1=CC=C(F)C=C1	REAL300007675786	0	40	-1.0	-48.90	345.52	3.33	-45.57
CC1CC2=CC(S(=O)(=O)NCC(OC3=CC=C(F)C=C3)C(=O)[O-])=CC=C2O1	REAL300007675787	0	44	-1.0	-47.70	386.70	6.04	-41.66
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675788	0	48	-1.0	-46.13	386.85	8.63	-37.50
CCCCCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675789	0	41	-1.0	-46.99	357.75	5.45	-41.54
COCCN(C)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675790	0	41	-1.0	-46.35	358.58	2.74	-43.61
CN(CC1CC1)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675791	0	41	-1.0	-47.16	349.94	4.62	-42.54
CC1=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C(C)O1	REAL300007675792	0	39	-1.0	-48.09	353.81	4.95	-43.14
CC1=CSC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675793	0	36	-1.0	-46.90	343.22	5.09	-41.81
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CC=C2O1)OC1=CC=C(F)C=C1	REAL300007675794	0	39	-1.0	-51.24	359.41	5.81	-45.43
O=C([O-])C(CNS(=O)(=O)C1=CC=C2OCOC2=C1)OC1=CC=C(F)C=C1	REAL300007675795	0	39	-1.0	-47.02	355.70	4.09	-42.93
COC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300007675796	0	39	-1.0	-47.01	356.83	2.11	-44.90
O=C([O-])C(CNS(=O)(=O)C1=CC=CO1)OC1=CC=C(F)C=C1	REAL300007675797	0	33	-1.0	-48.57	312.33	3.42	-45.15
O=C([O-])C(CNS(=O)(=O)C1=CN=C2CCCN12)OC1=CC=C(F)C=C1	REAL300007675798	0	40	-1.0	-48.74	357.41	4.85	-43.89
O=C([O-])C(CNS(=O)(=O)C1=COC=C1)OC1=CC=C(F)C=C1	REAL300007675799	0	33	-1.0	-46.84	312.18	3.31	-43.53
CC1=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])SC=C1	REAL300007675800	0	36	-1.0	-47.50	336.25	4.93	-42.57
O=C([O-])C(CNS(=O)(=O)C1=CC=C2OCCCC2=C1)OC1=CC=C(F)C=C1	REAL300007675801	0	44	-1.0	-47.58	383.34	6.06	-41.52
O=C([O-])C(CNS(=O)(=O)C1CC2=CC=CC=C2C1)OC1=CC=C(F)C=C1	REAL300007675802	0	43	-1.0	-48.25	368.68	6.99	-41.26
O=C([O-])C(CNS(=O)(=O)C1CCOC1)OC1=CC=C(F)C=C1	REAL300007675803	0	37	-1.0	-48.50	320.69	2.32	-46.18
C=CCCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675804	0	36	-1.0	-46.91	327.57	4.45	-42.46
O=C([O-])C(CNS(=O)(=O)C1=CNC=N1)OC1=CC=C(F)C=C1	REAL300007675805	0	33	-1.0	-51.38	310.95	2.80	-48.58
CC1=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007675806	0	41	-1.0	-45.71	373.81	6.60	-39.11
O=C([O-])C(CNS(=O)(=O)CCCF)OC1=CC=C(F)C=C1	REAL300007675807	0	35	-1.0	-48.39	321.34	4.03	-44.36
O=C([O-])C(CNS(=O)(=O)CCCCF)OC1=CC=C(F)C=C1	REAL300007675808	0	38	-1.0	-48.20	342.84	4.81	-43.39
CC1=NN(C)C=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675809	0	39	-1.0	-49.02	353.02	3.75	-45.27
CC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300007675810	0	36	-1.0	-48.84	334.24	4.24	-44.60
CC1=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])N(C)N=C1	REAL300007675811	0	39	-1.0	-45.43	346.55	3.88	-41.55
O=C([O-])C(CNS(=O)(=O)C1=CN=C2C=CSC2=C1)OC1=CC=C(F)C=C1	REAL300007675812	0	38	-1.0	-48.77	361.65	4.91	-43.86
CN(C)C1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675813	0	44	-1.0	-48.33	380.91	5.83	-42.50
C=C(C)CS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675814	0	36	-1.0	-47.07	327.59	4.33	-42.74
COC1=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])SC=C1	REAL300007675815	0	37	-1.0	-51.11	345.50	3.94	-47.17
C=CCCCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675816	0	39	-1.0	-47.37	349.06	5.23	-42.14
CN(C)C1=CC=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675817	0	44	-1.0	-47.97	380.92	5.81	-42.16
O=C([O-])C(CNS(=O)(=O)CC1CCC1)OC1=CC=C(F)C=C1	REAL300007675818	0	39	-1.0	-47.50	341.73	5.21	-42.29
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=C1OCC2)OC1=CC=C(F)C=C1	REAL300007675819	0	41	-1.0	-51.64	359.31	5.28	-46.36
O=C([O-])C(CNS(=O)(=O)CC1=NOC2=CC=CC=C21)OC1=CC=C(F)C=C1	REAL300007675820	0	41	-1.0	-51.11	376.54	5.47	-45.64
O=C([O-])C(CNS(=O)(=O)C1=CC=C2CCOC2=C1)OC1=CC=C(F)C=C1	REAL300007675821	0	41	-1.0	-48.02	365.46	5.28	-42.74
COC1=CC=CC(OC)=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675822	0	44	-1.0	-53.18	383.42	5.94	-47.24
COC1=CC=C(CCS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675823	0	46	-1.0	-49.41	404.41	6.23	-43.18
COC1=CN=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675824	0	39	-1.0	-47.64	354.21	2.91	-44.73
O=C([O-])C(CNS(=O)(=O)C1=CC=C(C2CC2)C=C1)OC1=CC=C(F)C=C1	REAL300007675825	0	43	-1.0	-46.85	378.87	7.53	-39.32
COC1=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=CC(OC)=C1	REAL300007675826	0	44	-1.0	-49.63	388.63	4.04	-45.59
O=C([O-])C(CNS(=O)(=O)CCC1CCCCC1)OC1=CC=C(F)C=C1	REAL300007675827	0	48	-1.0	-47.29	395.68	7.10	-40.19
CC1=CC=C(CCS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675828	0	45	-1.0	-48.31	396.31	7.61	-40.70
CC1=CC2=C(C=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])OCO2	REAL300007675829	0	42	-1.0	-48.22	370.28	4.99	-43.23
O=C([O-])C(CNS(=O)(=O)C1=C2OC=CC2=CC=C1)OC1=CC=C(F)C=C1	REAL300007675830	0	39	-1.0	-51.77	351.73	5.63	-46.14
O=C([O-])C(CNS(=O)(=O)CCC1CCCC1)OC1=CC=C(F)C=C1	REAL300007675831	0	45	-1.0	-47.41	379.20	6.52	-40.89
CN1C=NC2=CC(S(=O)(=O)NCC(OC3=CC=C(F)C=C3)C(=O)[O-])=CC=C21	REAL300007675832	0	42	-1.0	-52.66	377.93	6.76	-45.90
CC1(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300007675833	0	36	-1.0	-46.73	319.50	4.66	-42.07
CC1=NC2=CC=C(S(=O)(=O)NCC(OC3=CC=C(F)C=C3)C(=O)[O-])C=C2O1	REAL300007675834	0	41	-1.0	-48.84	373.05	3.08	-45.76
CCC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1CC	REAL300007675835	0	48	-1.0	-47.36	406.71	8.00	-39.36
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675836	0	46	-1.0	-49.29	388.62	6.99	-42.30
CC1=C(C)SC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675837	0	39	-1.0	-47.65	362.61	5.82	-41.83
NC1=NC=C(Cl)C=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675838	0	37	-1.0	-45.70	351.87	3.32	-42.38
CC1=NC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300007675839	0	35	-1.0	-46.33	338.18	3.26	-43.07
CCC1=NC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300007675840	0	38	-1.0	-46.01	359.66	4.01	-42.00
CC1=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(N)=NO1	REAL300007675841	0	37	-1.0	-44.21	335.84	2.83	-41.38
CN(C)C1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300007675842	0	43	-1.0	-49.76	378.03	5.22	-44.54
CC1=CC(C)=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300007675843	0	39	-1.0	-48.00	355.64	5.74	-42.26
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=C1OCO2)OC1=CC=C(F)C=C1	REAL300007675844	0	39	-1.0	-50.12	349.75	3.97	-46.15
CC1=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=CC(C)=C1F	REAL300007675845	0	42	-1.0	-45.20	376.68	6.77	-38.43
O=C([O-])C(CNS(=O)(=O)C1=CNC2=CC=CC(F)=C12)OC1=CC=C(F)C=C1	REAL300007675846	0	40	-1.0	-53.45	368.17	5.50	-47.95
O=C([O-])C(CNS(=O)(=O)C1=C2N=CSC2=CC=C1)OC1=CC=C(F)C=C1	REAL300007675847	0	38	-1.0	-53.19	353.99	5.18	-48.01
CC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300007675848	0	38	-1.0	-48.67	346.27	4.26	-44.41
CC1=NC(CS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=CS1	REAL300007675849	0	38	-1.0	-51.72	359.78	3.81	-47.91
COC(CS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300007675850	0	43	-1.0	-48.40	373.99	4.83	-43.57
O=C([O-])C(CNS(=O)(=O)CC1=CC=C(Cl)C=C1)OC1=CC=C(F)C=C1	REAL300007675851	0	39	-1.0	-47.51	369.92	6.65	-40.86
CC1=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=CC=C1Cl	REAL300007675852	0	39	-1.0	-45.07	365.12	6.53	-38.54
O=C([O-])C(CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)OC1=CC=C(F)C=C1	REAL300007675853	0	42	-1.0	-56.37	377.77	6.42	-49.95
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=C1OCCC2)OC1=CC=C(F)C=C1	REAL300007675854	0	44	-1.0	-49.54	373.01	6.61	-42.93
CCC1(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300007675855	0	39	-1.0	-46.32	333.76	5.35	-40.97
COC(CS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1CCCC1	REAL300007675856	0	49	-1.0	-48.15	402.86	5.91	-42.24
CC1(C)CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CO1	REAL300007675857	0	43	-1.0	-47.63	362.14	3.72	-43.91
CCOC(CS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C1CC1	REAL300007675858	0	46	-1.0	-48.40	393.70	5.73	-42.67
O=C([O-])C(CNS(=O)(=O)C1=CN=C(C2CC2)S1)OC1=CC=C(F)C=C1	REAL300007675859	0	39	-1.0	-46.09	369.16	4.93	-41.16
CN1N=CC(C2CC2)=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675860	0	43	-1.0	-45.73	376.20	5.31	-40.42
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300007675861	1	38	-1.0	-54.14	356.75	4.43	-49.71
CC(C)OC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300007675862	0	45	-1.0	-45.94	398.82	3.97	-41.97
COC1=C(F)C=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675863	0	40	-1.0	-47.60	364.04	5.45	-42.15
CN1N=C2CCCCC2=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675864	0	46	-1.0	-46.02	388.40	5.44	-40.58
CN1C=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300007675865	0	48	-1.0	-48.61	400.34	5.72	-42.89
O=C([O-])C(CNS(=O)(=O)C1=CN(C2CCCC2)N=C1)OC1=CC=C(F)C=C1	REAL300007675866	0	46	-1.0	-49.15	397.05	5.78	-43.37
C=CCCC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300007675867	0	46	-1.0	-46.47	406.62	8.20	-38.27
CCC1=NN(C)C=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675868	0	42	-1.0	-48.66	373.91	4.53	-44.13
O=C([O-])C(CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1)OC1=CC=C(F)C=C1	REAL300007675869	0	40	-1.0	-46.23	378.04	7.12	-39.11
O=C([O-])C(CNS(=O)(=O)CCCC1CC1)OC1=CC=C(F)C=C1	REAL300007675870	0	42	-1.0	-47.14	367.89	6.24	-40.90
O=C([O-])C(CNS(=O)(=O)C=CC1=CC=CC=C1Cl)OC1=CC=C(F)C=C1	REAL300007675871	0	40	-1.0	-47.32	375.58	7.03	-40.29
CCCC1=CC=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675872	0	45	-1.0	-47.22	382.77	7.97	-39.25
COC1=NC=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675873	0	39	-1.0	-50.06	347.93	2.64	-47.42
O=C([O-])C(CNS(=O)(=O)C1=CC=CC2=CC=NC=C21)OC1=CC=C(F)C=C1	REAL300007675874	0	41	-1.0	-51.11	365.84	5.99	-45.12
CC1=NC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])N1C	REAL300007675875	0	39	-1.0	-50.03	348.80	4.47	-45.56
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=N1)OC1=CC=C(F)C=C1	REAL300007675876	0	35	-1.0	-49.10	325.48	3.53	-45.57
CC1=CSC(C)=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675877	0	39	-1.0	-44.10	352.95	6.13	-37.97
O=C([O-])C(CNS(=O)(=O)C1=CN(C2CCC2)N=C1)OC1=CC=C(F)C=C1	REAL300007675878	0	43	-1.0	-49.69	379.54	5.11	-44.58
O=C([O-])C(CNS(=O)(=O)C1=CC=NN1C1CCC1)OC1=CC=C(F)C=C1	REAL300007675879	0	43	-1.0	-46.34	373.15	5.00	-41.34
O=C([O-])C(CNS(=O)(=O)C1=CC=NN1CC1CCC1)OC1=CC=C(F)C=C1	REAL300007675880	0	46	-1.0	-45.69	389.16	5.78	-39.91
O=C([O-])C(CNS(=O)(=O)C1=CN=C2CCCCN12)OC1=CC=C(F)C=C1	REAL300007675881	0	43	-1.0	-49.77	374.88	5.43	-44.34
CC1CC2=CC=CC(S(=O)(=O)NCC(OC3=CC=C(F)C=C3)C(=O)[O-])=C2O1	REAL300007675882	0	44	-1.0	-50.51	372.58	5.81	-44.70
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675883	0	41	-1.0	-56.92	370.34	5.05	-51.87
CCN1N=NC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675884	0	38	-1.0	-46.74	345.12	2.66	-44.08
O=C([O-])C(CNS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)OC1=CC=C(F)C=C1	REAL300007675885	0	45	-1.0	-45.74	375.21	5.40	-40.34
O=C([O-])C(CNS(=O)(=O)C1=CC2=NON=C2C=C1)OC1=CC=C(F)C=C1	REAL300007675886	0	37	-1.0	-45.94	344.53	4.21	-41.73
O=C([O-])C(CNS(=O)(=O)C1=CC2=CC=CC=C2S1)OC1=CC=C(F)C=C1	REAL300007675887	0	39	-1.0	-49.34	368.26	6.84	-42.50
CN1N=C(C2CC2)C=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675888	0	43	-1.0	-45.85	382.34	5.10	-40.75
CC1=CC(C)=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1F	REAL300007675889	0	45	-1.0	-46.74	383.75	7.75	-38.99
COC1=CC=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1OC	REAL300007675890	0	44	-1.0	-49.70	387.04	5.24	-44.46
O=C([O-])C(CNS(=O)(=O)C1=COC2=CC=CC=C12)OC1=CC=C(F)C=C1	REAL300007675891	0	39	-1.0	-49.61	352.61	5.39	-44.22
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675892	0	48	-1.0	-46.89	408.82	6.02	-40.87
CCCCN1C=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C)=N1	REAL300007675893	0	48	-1.0	-48.79	419.19	6.11	-42.68
CN1C=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C2CC2)=N1	REAL300007675894	0	43	-1.0	-49.06	371.90	4.77	-44.29
CN1N=NC2=C(S(=O)(=O)NCC(OC3=CC=C(F)C=C3)C(=O)[O-])C=CC=C21	REAL300007675895	0	41	-1.0	-63.50	367.99	3.84	-59.66
CC1(C)CCCN(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300007675896	0	47	-1.0	-45.59	383.90	5.81	-39.78
CN1C=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C2CCC2)=N1	REAL300007675897	0	46	-1.0	-48.97	383.87	5.11	-43.86
O=C([O-])C(CNS(=O)(=O)C1=CN(CC2CCC2)N=C1)OC1=CC=C(F)C=C1	REAL300007675898	0	46	-1.0	-47.78	403.64	6.07	-41.71
O=C([O-])C(CNS(=O)(=O)C1=C(C2CC2)C=CS1)OC1=CC=C(F)C=C1	REAL300007675899	0	40	-1.0	-48.13	366.39	6.63	-41.50
CCCC1=CC=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675900	0	45	-1.0	-46.77	394.04	7.64	-39.13
CN1N=C2CCCC2=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675901	0	43	-1.0	-47.14	374.34	4.98	-42.16
O=C([O-])C(CNS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1)OC1=CC=C(F)C=C1	REAL300007675902	0	42	-1.0	-45.91	357.73	4.82	-41.09
CC1=CC=CC(C)=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675903	0	42	-1.0	-45.73	356.96	6.99	-38.74
CC(C)(C)N1N=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675904	0	45	-1.0	-46.79	375.23	5.01	-41.78
CC(C)(C)N1C=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300007675905	0	45	-1.0	-47.25	393.90	5.13	-42.12
O=C([O-])C(CNS(=O)(=O)C1=CNN=C1C1CCC1)OC1=CC=C(F)C=C1	REAL300007675906	0	43	-1.0	-47.86	379.23	4.48	-43.38
CC1=NN(C)C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675907	0	39	-1.0	-46.26	350.82	3.69	-42.57
CC1=CC=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1C	REAL300007675908	0	42	-1.0	-47.55	361.98	6.87	-40.68
O=C([O-])C(CNS(=O)(=O)N1CC2=CC=CC=C2C1)OC1=CC=C(F)C=C1	REAL300007675909	0	42	-1.0	-46.77	372.10	5.87	-40.90
CN(C1CCC1)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675910	0	41	-1.0	-45.53	350.17	4.55	-40.98
O=C([O-])C(CNC(=O)N1CCC(F)(F)CC1)OC1=CC=C(F)C=C1	REAL300007675911	0	40	-1.0	-46.56	338.88	7.49	-39.07
O=C([O-])C(CNS(=O)(=O)C1=CC=CC(C2CC2)=C1)OC1=CC=C(F)C=C1	REAL300007675912	0	43	-1.0	-46.85	378.86	7.54	-39.31
COC1=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=CS1	REAL300007675913	0	37	-1.0	-47.37	345.46	3.94	-43.43
O=C([O-])C(CNS(=O)(=O)C1=CC=NN1C1CCCC1)OC1=CC=C(F)C=C1	REAL300007675914	0	46	-1.0	-45.45	396.53	5.95	-39.50
CCC(C)N1N=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675915	0	45	-1.0	-45.27	391.64	5.22	-40.05
CN(C(C)(C)C)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675916	0	43	-1.0	-45.77	355.08	4.89	-40.88
CCC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300007675917	0	39	-1.0	-48.43	355.51	5.02	-43.41
CN(C1CCCCCC1)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675918	0	50	-1.0	-46.08	394.98	6.22	-39.86
COC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])S1	REAL300007675919	0	37	-1.0	-46.70	353.44	3.88	-42.82
O=C([O-])C(CNS(=O)(=O)C1=CN(CCF)N=C1)OC1=CC=C(F)C=C1	REAL300007675920	0	39	-1.0	-49.57	362.32	4.13	-45.44
CCOCC1=CC=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675921	0	46	-1.0	-47.86	406.57	6.12	-41.74
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=C1CF)OC1=CC=C(F)C=C1	REAL300007675922	0	39	-1.0	-48.60	351.66	6.35	-42.25
CC1=CN=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675923	0	38	-1.0	-47.97	346.10	4.28	-43.69
O=C([O-])C(CNS(=O)(=O)N1CC2CC1C2)OC1=CC=C(F)C=C1	REAL300007675924	0	39	-1.0	-47.06	341.19	4.32	-42.74
O=C([O-])C(CNS(=O)(=O)C=CC1=CC=C(F)C=C1)OC1=CC=C(F)C=C1	REAL300007675925	0	40	-1.0	-47.25	367.67	6.65	-40.60
CCOCCCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675926	0	42	-1.0	-48.36	370.28	3.93	-44.43
O=C([O-])C(CNS(=O)(=O)CCC1NC(=O)NC1=O)OC1=CC=C(F)C=C1	REAL300007675927	0	41	-1.0	-53.81	372.63	-0.64	-54.45
O=C([O-])C(CNS(=O)(=O)C1=CN=C2C=CC=CN12)OC1=CC=C(F)C=C1	REAL300007675928	0	39	-1.0	-52.54	355.14	5.82	-46.72
O=C([O-])C(CNS(=O)(=O)C1CCC(F)(F)CC1)OC1=CC=C(F)C=C1	REAL300007675929	0	42	-1.0	-45.78	364.98	5.86	-39.92
O=C([O-])C(CNS(=O)(=O)C1=CC=C2SC=NC2=C1)OC1=CC=C(F)C=C1	REAL300007675930	0	38	-1.0	-48.18	360.61	4.82	-43.36
O=C([O-])C(CNS(=O)(=O)CCOC1CCOC1)OC1=CC=C(F)C=C1	REAL300007675931	0	44	-1.0	-47.69	384.23	2.59	-45.10
O=C([O-])C(CNS(=O)(=O)CC1COCCO1)OC1=CC=C(F)C=C1	REAL300007675932	0	41	-1.0	-50.07	358.01	2.80	-47.27
O=C([O-])C(CNS(=O)(=O)CCN1C=NN=N1)OC1=CC=C(F)C=C1	REAL300007675933	0	37	-1.0	-55.74	344.21	3.28	-52.46
CC1(C)COC(CS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C1	REAL300007675934	0	46	-1.0	-50.69	390.22	4.61	-46.08
O=C([O-])C(CNS(=O)(=O)CC1CS(=O)(=O)C1)OC1=CC=C(F)C=C1	REAL300007675935	0	39	-1.0	-54.63	360.42	1.09	-53.54
CC(C)(CS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-])C(C)(F)F	REAL300007675936	0	44	-1.0	-47.53	368.40	5.87	-41.66
CS(=O)(=O)CCCCS(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675937	0	44	-1.0	-58.56	399.89	2.23	-56.33
CC1(C)CCC(CS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])OC1	REAL300007675938	0	49	-1.0	-48.74	403.92	5.80	-42.94
O=C([O-])C(CNS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)OC1=CC=C(F)C=C1	REAL300007675939	0	46	-1.0	-47.32	400.18	7.72	-39.60
O=C([O-])C(CNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)OC1=CC=C(F)C=C1	REAL300007675940	0	45	-1.0	-52.00	383.70	2.86	-49.14
COCCC1(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300007675941	0	43	-1.0	-47.53	364.27	4.31	-43.22
CCN1N=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=N1	REAL300007675942	0	38	-1.0	-49.29	350.36	2.30	-46.99
O=C([O-])C(CNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)OC1=CC=C(F)C=C1	REAL300007675943	0	49	-1.0	-46.93	396.72	7.41	-39.52
O=C([O-])C(CNS(=O)(=O)C1=CC=C(C2CC2)S1)OC1=CC=C(F)C=C1	REAL300007675944	0	40	-1.0	-47.68	373.47	6.74	-40.94
CO[C@@H]1COC[C@@H]1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675945	0	41	-1.0	-48.72	357.85	2.31	-46.41
CC1=COC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675946	0	36	-1.0	-48.31	334.23	4.10	-44.21
CC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])O1	REAL300007675947	0	36	-1.0	-48.84	334.24	4.24	-44.60
CCC1=NNC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675948	0	39	-1.0	-47.51	352.10	3.14	-44.37
O=C([O-])C(CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)OC1=CC=C(F)C=C1	REAL300007675949	0	48	-1.0	-45.83	389.88	5.89	-39.94
CN(CCC1=CC=CC=C1)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675950	0	47	-1.0	-46.64	409.34	7.32	-39.32
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675951	0	42	-1.0	-48.47	374.07	5.37	-43.10
CN1C=CC2=CC(S(=O)(=O)NCC(OC3=CC=C(F)C=C3)C(=O)[O-])=CC=C21	REAL300007675952	0	43	-1.0	-51.57	383.36	7.19	-44.38
CCN1C=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C2CC2)=N1	REAL300007675953	0	46	-1.0	-48.90	393.37	5.62	-43.28
O=C([O-])C(CNS(=O)(=O)C1=C(Cl)OC=C1)OC1=CC=C(F)C=C1	REAL300007675954	0	33	-1.0	-47.25	319.90	3.56	-43.69
O=C([O-])C(CNS(=O)(=O)C1=CC(Cl)=CS1)OC1=CC=C(F)C=C1	REAL300007675955	0	33	-1.0	-44.33	338.45	4.94	-39.39
CN1N=C2CCOCC2=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675956	0	44	-1.0	-47.59	380.11	3.08	-44.51
O=C([O-])C(CNS(=O)(=O)C1=CC=CC=C1C1CC1)OC1=CC=C(F)C=C1	REAL300007675957	0	43	-1.0	-48.31	372.55	7.67	-40.64
CC1(C)CCN(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300007675958	0	47	-1.0	-45.72	380.21	5.40	-40.32
COC1=NC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=C1C	REAL300007675959	0	42	-1.0	-46.03	376.97	2.85	-43.18
CC(C)CN1C=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=N1	REAL300007675960	0	45	-1.0	-49.81	392.61	5.58	-44.23
CC1=NN(C(C)C)C=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675961	0	45	-1.0	-48.44	393.22	5.12	-43.32
COCC1=CC(CS(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=NO1	REAL300007675962	0	42	-1.0	-50.43	383.77	3.30	-47.13
CC(C)(C)C1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])N=C1	REAL300007675963	0	47	-1.0	-50.58	402.05	5.81	-44.77
CC(C)N1N=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675964	0	42	-1.0	-45.86	371.36	4.69	-41.17
O=C([O-])C(CNS(=O)(=O)C1=CC=NN1CC1CC1)OC1=CC=C(F)C=C1	REAL300007675965	0	43	-1.0	-45.99	378.26	5.26	-40.73
O=C([O-])C(CNS(=O)(=O)C1=CC=C(C(F)F)C=N1)OC1=CC=C(F)C=C1	REAL300007675966	0	38	-1.0	-51.47	357.84	4.35	-47.12
O=C([O-])C(CNS(=O)(=O)N1CCC2=CC=CN=C21)OC1=CC=C(F)C=C1	REAL300007675967	0	41	-1.0	-51.27	364.76	5.81	-45.46
CC1=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C=NN1C(C)C	REAL300007675968	0	45	-1.0	-50.43	392.95	5.22	-45.21
O=C([O-])C(CNS(=O)(=O)C1=NC=CC2=CC=CC=C21)OC1=CC=C(F)C=C1	REAL300007675969	0	41	-1.0	-53.62	366.30	5.94	-47.68
CC1=CN=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])C(C)=C1	REAL300007675970	0	41	-1.0	-51.80	362.15	5.02	-46.78
CC1=CN=CC=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675971	0	38	-1.0	-46.54	339.81	4.51	-42.03
O=C([O-])C(CNS(=O)(=O)N1CC2CCC(C1)O2)OC1=CC=C(F)C=C1	REAL300007675972	0	43	-1.0	-45.79	360.67	3.52	-42.27
N#CC1CCN(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])CC1	REAL300007675973	0	42	-1.0	-49.00	367.73	4.91	-44.09
COC1=CC=NC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300007675974	0	39	-1.0	-50.25	355.22	2.85	-47.40
C=CCN(CC=C)S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675975	0	42	-1.0	-46.29	369.71	5.31	-40.98
COC1=CC=C(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])N=C1	REAL300007675976	0	39	-1.0	-50.41	355.07	2.79	-47.62
CC1=CC=CN=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675977	0	38	-1.0	-48.47	336.14	4.17	-44.30
O=C([O-])C(CNS(=O)(=O)C1=CC=NC2=CC=CC=C21)OC1=CC=C(F)C=C1	REAL300007675978	0	41	-1.0	-48.78	366.28	5.85	-42.93
CCOC1=CC=CN=C1S(=O)(=O)NCC(OC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007675979	0	42	-1.0	-52.85	374.54	4.72	-48.13
CC1=CC(S(=O)(=O)NCC(OC2=CC=C(F)C=C2)C(=O)[O-])=CC=N1	REAL300007675980	0	38	-1.0	-46.29	346.43	4.24	-42.05
O=C([O-])C(CNS(=O)(=O)C1=CNC2=CC=CC=C12)OC1=CC=C(F)C=C1	REAL300007675981	0	40	-1.0	-53.24	356.18	5.06	-48.18
O=C([O-])C(CNS(=O)(=O)N1CCC(F)(F)C1)OC1=CC=C(F)C=C1	REAL300007675982	0	38	-1.0	-46.50	346.64	3.92	-42.58
O=C([O-])C(CNS(=O)(=O)C1=CN=CS1)OC1=CC=C(F)C=C1	REAL300007675983	0	32	-1.0	-45.92	315.99	2.54	-43.38
O=C([O-])C(CNS(=O)(=O)C1=CC(C(F)F)=CC=N1)OC1=CC=C(F)C=C1	REAL300007675984	0	38	-1.0	-53.97	359.84	4.46	-49.51
CN(C)S(=O)(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300007675985	0	37	-1.0	-58.32	338.02	3.59	-54.73
CCS(=O)(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300007675986	0	35	-1.0	-60.31	326.66	4.07	-56.24
CS(=O)(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300007675987	0	32	-1.0	-60.15	305.19	3.17	-56.98
CCCS(=O)(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300007675988	0	38	-1.0	-60.28	348.16	4.87	-55.41
CCS(=O)(=O)NC(CC1=CNC2=CC=CC(Br)=C12)C(=O)[O-]	REAL300007675989	0	35	-1.0	-60.31	326.66	4.07	-56.24
O=C([O-])C(CC1=CNC2=CC=CC(Br)=C12)NS(=O)(=O)C1CC1	REAL300007675990	0	36	-1.0	-60.14	337.22	4.98	-55.16
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1)C1=CC=C(F)C(F)=C1	REAL300007675991	0	32	-1.0	-51.85	304.09	5.32	-46.53
O=C([O-])C(NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=C(F)C(F)=C1	REAL300007675992	0	32	-1.0	-40.76	311.49	5.47	-35.29
CC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300007675993	0	37	-1.0	-55.07	345.33	5.74	-49.33
O=C([O-])C(NS(=O)(=O)C1=CC=CS1)C1=CC=C(F)C(F)=C1	REAL300007675994	0	29	-1.0	-51.73	297.02	4.32	-47.41
CCC(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300007675995	0	44	-1.0	-50.62	382.75	7.92	-42.70
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300007675996	0	32	-1.0	-51.70	318.58	5.15	-46.55
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)S1)C1=CC=C(F)C(F)=C1	REAL300007675997	0	29	-1.0	-48.09	313.77	4.97	-43.12
COC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007675998	0	39	-1.0	-55.54	355.19	5.81	-49.73
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300007675999	0	35	-1.0	-48.21	336.90	6.76	-41.45
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300007676000	0	32	-1.0	-52.21	309.46	3.06	-49.15
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676687	0	33	-1.0	-52.48	290.24	4.05	-48.43
CC1=C(Br)C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007676688	0	34	-1.0	-44.18	321.51	5.81	-38.37
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676689	0	40	-1.0	-53.75	343.30	4.37	-49.38
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C	REAL300007676690	0	40	-1.0	-52.21	350.37	1.07	-51.14
O=C([O-])C1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007676691	0	47	-1.0	-46.16	346.17	5.81	-40.35
CC1=NC2=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300007676692	0	37	-1.0	-56.93	317.04	5.59	-51.34
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007676693	0	37	-1.0	-51.72	323.96	6.02	-45.70
O=C([O-])C1CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007676694	0	40	-1.0	-47.99	336.60	2.68	-45.31
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676695	0	43	-1.0	-53.90	377.59	5.29	-48.61
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676696	0	43	-1.0	-53.26	372.64	5.41	-47.85
COCCOCCOCCS(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676697	0	43	-1.0	-50.47	367.67	1.45	-49.02
CC(COC1CCCC1)CS(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676698	0	45	-1.0	-46.18	360.01	5.50	-40.68
O=C([O-])C1CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)C1	REAL300007676699	0	44	-1.0	-54.19	378.51	5.55	-48.64
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300007676700	0	36	-1.0	-46.43	328.01	4.44	-41.99
O=C([O-])C1CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007676701	0	37	-1.0	-49.72	316.37	1.89	-47.83
COC1=CC(Br)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300007676702	0	33	-1.0	-46.59	310.24	4.04	-42.55
O=C([O-])C1CCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007676703	0	33	-1.0	-50.82	299.99	4.32	-46.50
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007676704	0	35	-1.0	-47.43	314.01	4.85	-42.58
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676705	0	35	-1.0	-43.59	305.60	5.63	-37.96
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676706	0	35	-1.0	-50.87	305.26	5.67	-45.20
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007676707	0	35	-1.0	-45.05	312.95	5.62	-39.43
O=C([O-])C1CCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300007676708	0	41	-1.0	-47.57	332.87	1.11	-46.46
COCCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=N1	REAL300007676709	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	REAL300007676710	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	REAL300007676711	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	REAL300007676712	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	REAL300007676713	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	REAL300007676714	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	REAL300007676715	0	32	-1.0	-49.59	304.52	5.46	-44.13
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300007676716	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	REAL300007676717	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	REAL300007676718	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	REAL300007676719	0	32	-1.0	-48.08	284.60	5.18	-42.90
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1Br	REAL300007676720	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	REAL300007676721	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	REAL300007676722	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	REAL300007676723	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	REAL300007676724	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	REAL300007676725	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	REAL300007676726	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	REAL300007676727	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	REAL300007676728	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	REAL300007676729	0	46	-1.0	-50.65	395.26	3.82	-46.83
CSC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676730	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	REAL300007676731	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	REAL300007676732	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	REAL300007676733	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	REAL300007676734	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	REAL300007676735	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	REAL300007676736	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	REAL300007676737	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	REAL300007676738	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	REAL300007676739	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	REAL300007676740	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	REAL300007676741	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	REAL300007676742	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	REAL300007676743	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	REAL300007676744	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	REAL300007676745	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	REAL300007676746	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	REAL300007676747	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	REAL300007676748	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	REAL300007676749	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	REAL300007676750	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	REAL300007676751	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	REAL300007676752	0	41	-1.0	-49.62	349.87	5.69	-43.93
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676753	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	REAL300007676754	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	REAL300007676755	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	REAL300007676756	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	REAL300007676757	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	REAL300007676758	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	REAL300007676759	0	35	-1.0	-49.69	320.10	5.91	-43.78
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300007676760	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	REAL300007676761	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	REAL300007676762	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	REAL300007676763	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	REAL300007676764	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	REAL300007676765	0	40	-1.0	-48.11	333.10	4.76	-43.35
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300007676766	0	35	-1.0	-46.87	321.69	6.11	-40.76
O=C([O-])C1CCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300007676767	0	34	-1.0	-51.83	293.80	1.10	-50.73
O=C([O-])C1CCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300007676768	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	REAL300007676769	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	REAL300007676770	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	REAL300007676771	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	REAL300007676772	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	REAL300007676773	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	REAL300007676774	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	REAL300007676775	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	REAL300007676776	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	REAL300007676777	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	REAL300007676778	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	REAL300007676779	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	REAL300007676780	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	REAL300007676781	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	REAL300007676782	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	REAL300007676783	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	REAL300007676785	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	REAL300007676786	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	REAL300007676787	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	REAL300007676789	0	29	-1.0	-44.00	291.66	4.33	-39.67
O=C([O-])C1CCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300007676790	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	REAL300007676791	0	40	-1.0	-50.55	341.01	4.88	-45.67
O=C([O-])C1CCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300007676792	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	REAL300007676793	0	32	-1.0	-46.61	294.69	4.59	-42.02
CC1=C(CCS(=O)(=O)N2CCC(C(=O)[O-])C2)SC=N1	REAL300007676794	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	REAL300007676795	0	41	-1.0	-49.01	343.04	5.83	-43.18
O=C([O-])C1CCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300007676796	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	REAL300007676797	0	40	-1.0	-61.90	332.43	1.25	-60.65
O=C([O-])C1CCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300007676798	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	REAL300007676799	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	REAL300007676800	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-]	REAL300007676801	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	REAL300007676802	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	REAL300007676803	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	REAL300007676804	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	REAL300007676805	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	REAL300007676806	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	REAL300007676807	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	REAL300007676808	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	REAL300007676809	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	REAL300007676810	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	REAL300007676811	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	REAL300007676812	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-]	REAL300007676813	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	REAL300007676814	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	REAL300007676815	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	REAL300007676816	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	REAL300007676817	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	REAL300007676818	0	35	-1.0	-46.36	336.07	6.13	-40.23
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1Br	REAL300007676819	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	REAL300007676820	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	REAL300007676821	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	REAL300007676822	0	44	-1.0	-48.11	329.24	7.04	-41.07
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300007676823	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	REAL300007676824	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	REAL300007676825	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-]	REAL300007676826	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	REAL300007676827	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	REAL300007676828	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	REAL300007676829	0	32	-1.0	-45.66	297.84	5.13	-40.53
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300007676830	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	REAL300007676831	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	REAL300007676832	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	REAL300007676833	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	REAL300007676834	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	REAL300007676835	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	REAL300007676836	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	REAL300007676837	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	REAL300007676838	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	REAL300007676839	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	REAL300007676840	0	35	-1.0	-54.40	309.50	5.29	-49.11
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676841	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	REAL300007676842	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	REAL300007676843	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	REAL300007676844	0	37	-1.0	-48.20	326.81	5.70	-42.50
O=C([O-])C1CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300007676845	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	REAL300007676846	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	REAL300007676847	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	REAL300007676848	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	REAL300007676849	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	REAL300007676850	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	REAL300007676851	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	REAL300007676852	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	REAL300007676853	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	REAL300007676854	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	REAL300007676855	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	REAL300007676856	0	33	-1.0	-51.94	300.57	4.50	-47.44
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676857	0	44	-1.0	-47.05	349.53	6.92	-40.13
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300007676858	0	32	-1.0	-47.98	293.96	5.21	-42.77
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676859	0	39	-1.0	-47.12	328.35	4.98	-42.14
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300007676860	0	32	-1.0	-49.63	299.96	5.36	-44.27
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300007676861	0	34	-1.0	-52.68	316.93	6.85	-45.83
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300007676862	0	34	-1.0	-54.51	294.60	5.11	-49.40
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300007676863	0	40	-1.0	-47.39	364.77	7.55	-39.84
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676864	0	35	-1.0	-46.26	311.17	4.67	-41.59
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1F	REAL300007676865	0	33	-1.0	-46.19	294.21	3.48	-42.71
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300007676866	0	40	-1.0	-46.67	366.23	7.56	-39.11
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2)C=C1	REAL300007676867	0	44	-1.0	-48.14	378.99	6.34	-41.80
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(C(C)C)=C1	REAL300007676868	0	56	-1.0	-46.63	415.18	9.96	-36.67
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007676869	0	45	-1.0	-50.37	361.86	7.06	-43.31
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300007676870	0	32	-1.0	-46.02	314.87	5.83	-40.19
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007676871	0	39	-1.0	-50.53	321.66	5.51	-45.02
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C1(C)NC(=O)NC1=O	REAL300007676872	0	45	-1.0	-51.23	378.72	1.78	-49.45
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676873	0	34	-1.0	-43.98	294.76	5.29	-38.69
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676874	0	34	-1.0	-50.80	289.63	5.15	-45.65
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676875	0	37	-1.0	-51.53	319.51	6.69	-44.84
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676876	0	41	-1.0	-47.22	340.30	6.82	-40.40
COCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676877	0	39	-1.0	-47.92	335.65	4.64	-43.28
COCCN(CCOC)S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676878	0	41	-1.0	-49.30	334.10	2.15	-47.15
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676879	0	32	-1.0	-45.27	283.61	5.15	-40.12
COC1=C(C)C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C	REAL300007676880	0	39	-1.0	-48.36	332.77	5.00	-43.36
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676881	0	45	-1.0	-46.78	371.02	6.46	-40.32
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300007676882	0	43	-1.0	-47.05	353.13	6.32	-40.73
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676883	0	42	-1.0	-46.88	352.06	5.85	-41.03
CCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676884	0	39	-1.0	-46.97	331.96	5.16	-41.81
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Cl	REAL300007676885	0	33	-1.0	-45.78	304.01	3.96	-41.82
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300007676886	0	33	-1.0	-47.54	313.80	4.24	-43.30
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300007676887	0	42	-1.0	-46.98	347.87	5.70	-41.28
COCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676888	0	40	-1.0	-49.38	344.08	3.63	-45.75
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676889	0	32	-1.0	-43.67	287.83	5.23	-38.44
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1C	REAL300007676890	0	37	-1.0	-57.97	303.11	6.54	-51.43
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676891	0	38	-1.0	-57.97	327.13	2.15	-55.82
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300007676892	0	41	-1.0	-50.13	368.11	1.98	-48.15
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676893	0	37	-1.0	-52.12	335.72	0.30	-51.82
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676894	0	37	-1.0	-52.04	320.49	2.27	-49.77
O=C([O-])C1CCN(S(=O)(=O)C2=CSC3=CC=CC=C32)C1	REAL300007676895	0	32	-1.0	-47.58	289.07	5.27	-42.31
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1F	REAL300007676896	0	33	-1.0	-46.04	294.21	3.48	-42.56
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300007676897	0	39	-1.0	-48.64	333.30	7.54	-41.10
O=C([O-])C1CCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300007676898	0	32	-1.0	-48.90	316.69	5.86	-43.04
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)S2)=CS1	REAL300007676899	0	35	-1.0	-48.52	338.58	4.68	-43.84
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300007676900	0	49	-1.0	-46.79	393.69	7.75	-39.04
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300007676901	0	37	-1.0	-55.72	317.46	5.66	-50.06
CNC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CN1C	REAL300007676902	0	37	-1.0	-50.35	322.48	1.78	-48.57
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(C)=C1	REAL300007676903	0	39	-1.0	-47.94	311.10	4.83	-43.11
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300007676904	0	40	-1.0	-49.22	343.67	8.24	-40.98
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C	REAL300007676905	0	39	-1.0	-46.84	316.45	4.67	-42.17
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300007676906	0	37	-1.0	-48.40	304.17	5.33	-43.07
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300007676907	0	34	-1.0	-53.06	289.56	4.37	-48.69
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC(C(=O)[O-])C1)=C2	REAL300007676908	0	42	-1.0	-51.43	358.97	7.96	-43.47
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007676909	0	34	-1.0	-47.69	311.30	4.89	-42.80
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300007676910	0	36	-1.0	-49.63	330.00	4.82	-44.81
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300007676911	0	43	-1.0	-48.39	370.36	7.42	-40.97
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300007676912	0	37	-1.0	-52.63	322.19	5.40	-47.23
O=C([O-])C1CCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300007676913	0	39	-1.0	-48.87	345.42	5.71	-43.16
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676914	0	51	-1.0	-45.29	396.77	7.08	-38.21
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676915	0	37	-1.0	-52.97	332.68	0.84	-52.13
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)N3CCCC3)=C2)C1	REAL300007676916	0	44	-1.0	-51.45	381.57	3.24	-48.21
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007676917	0	42	-1.0	-50.58	344.17	6.45	-44.13
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676918	0	39	-1.0	-52.76	327.10	5.57	-47.19
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300007676919	0	34	-1.0	-61.50	307.38	4.31	-57.19
O=C([O-])C1CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300007676920	0	36	-1.0	-49.26	320.01	5.26	-44.00
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676921	0	43	-1.0	-49.48	365.94	4.59	-44.89
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676922	0	45	-1.0	-46.87	374.95	6.72	-40.15
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300007676923	0	39	-1.0	-50.47	307.00	6.44	-44.03
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300007676924	0	35	-1.0	-49.87	307.51	5.94	-43.93
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300007676925	0	33	-1.0	-45.08	315.47	5.59	-39.49
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300007676926	0	37	-1.0	-55.02	322.78	5.40	-49.62
O=C([O-])C1CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300007676927	0	35	-1.0	-54.52	298.49	0.50	-54.02
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300007676928	0	34	-1.0	-54.26	307.36	4.31	-49.95
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(C)=C1	REAL300007676929	0	39	-1.0	-46.70	317.85	4.85	-41.85
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300007676930	0	37	-1.0	-51.61	335.69	0.30	-51.31
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300007676931	0	33	-1.0	-48.22	292.71	4.27	-43.95
CSC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676932	0	33	-1.0	-47.78	299.28	5.15	-42.63
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300007676933	0	35	-1.0	-50.18	322.29	5.87	-44.31
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676934	0	40	-1.0	-46.87	328.98	5.90	-40.97
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300007676935	0	35	-1.0	-50.31	297.25	3.77	-46.54
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300007676936	0	34	-1.0	-49.58	289.05	4.28	-45.30
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300007676937	0	41	-1.0	-49.81	352.79	6.11	-43.70
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300007676938	0	35	-1.0	-48.89	312.93	5.63	-43.26
O=C([O-])C1CCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300007676939	0	35	-1.0	-46.79	331.39	4.91	-41.88
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300007676940	0	38	-1.0	-51.26	323.91	5.74	-45.52
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C12	REAL300007676941	0	37	-1.0	-50.00	325.75	3.85	-46.15
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676942	0	36	-1.0	-51.20	327.79	4.74	-46.46
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=C2O1	REAL300007676943	0	40	-1.0	-50.61	332.93	5.41	-45.20
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300007676944	0	32	-1.0	-51.31	296.30	5.31	-46.00
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300007676945	0	41	-1.0	-58.88	355.68	2.63	-56.25
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007676946	0	36	-1.0	-46.46	328.94	4.65	-41.81
COC1=CC(OC)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1Br	REAL300007676947	0	37	-1.0	-50.45	332.77	3.98	-46.47
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC(COCC(F)(F)C(F)F)=C2)C1	REAL300007676948	0	42	-1.0	-55.33	380.18	6.31	-49.02
O=C([O-])C1CCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300007676949	0	37	-1.0	-53.20	322.84	5.02	-48.18
O=C([O-])C1CCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300007676950	0	32	-1.0	-48.93	309.99	5.74	-43.19
CC1CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C2O1	REAL300007676951	0	37	-1.0	-48.34	316.34	4.73	-43.61
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676952	0	41	-1.0	-46.05	311.01	7.02	-39.03
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300007676953	0	41	-1.0	-55.51	338.99	2.72	-52.79
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300007676954	0	40	-1.0	-48.36	364.52	7.50	-40.86
O=C([O-])C1CCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300007676955	0	35	-1.0	-52.51	325.00	4.84	-47.67
O=C([O-])C1CCN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300007676956	0	35	-1.0	-46.56	341.71	5.36	-41.20
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2)=CO1	REAL300007676957	0	38	-1.0	-50.87	335.49	3.19	-47.68
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007676958	0	32	-1.0	-52.15	302.13	2.91	-49.24
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300007676959	0	37	-1.0	-47.65	312.21	4.73	-42.92
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=N2)C=C1	REAL300007676960	0	39	-1.0	-50.83	341.41	5.93	-44.90
CC1CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300007676961	0	37	-1.0	-45.60	332.28	5.23	-40.37
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007676962	0	34	-1.0	-46.03	302.72	5.29	-40.74
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=N1	REAL300007676963	0	40	-1.0	-53.77	346.02	4.91	-48.86
O=C([O-])C1CCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300007676964	0	31	-1.0	-48.01	291.43	3.61	-44.40
CC1=CC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2C=C1	REAL300007676965	0	38	-1.0	-49.19	325.83	7.06	-42.13
O=C([O-])C1CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300007676966	0	34	-1.0	-56.02	306.24	4.20	-51.82
O=C([O-])C1CCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300007676967	0	35	-1.0	-47.18	321.18	6.16	-41.02
CN1CCCC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C21	REAL300007676968	0	41	-1.0	-49.37	333.00	4.67	-44.70
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300007676969	0	31	-1.0	-45.32	294.97	3.43	-41.89
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676970	0	37	-1.0	-53.81	313.12	4.66	-49.15
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300007676971	0	37	-1.0	-49.22	311.33	5.80	-43.42
CC1=CC=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300007676972	0	37	-1.0	-49.65	310.92	7.08	-42.57
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007676973	0	37	-1.0	-51.57	310.39	5.81	-45.76
COC1=CC=C(CCS(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007676974	0	39	-1.0	-48.59	333.95	4.94	-43.65
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)S1	REAL300007676975	0	38	-1.0	-47.91	332.48	5.76	-42.15
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC(OC)=C1	REAL300007676976	0	37	-1.0	-49.84	318.42	2.73	-47.11
CC1=CC2=C(C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1)OCO2	REAL300007676977	0	35	-1.0	-49.33	292.47	3.27	-46.06
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1Cl	REAL300007676978	0	33	-1.0	-45.65	304.02	3.96	-41.69
CN1C=NC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3)=CC=C21	REAL300007676979	0	35	-1.0	-57.71	307.40	5.50	-52.21
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007676980	0	37	-1.0	-57.70	304.76	5.66	-52.04
CC1=NC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2O1	REAL300007676981	0	34	-1.0	-51.23	302.79	1.80	-49.43
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1CC	REAL300007676982	0	41	-1.0	-47.98	335.56	6.67	-41.31
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676983	0	37	-1.0	-44.85	310.71	6.17	-38.68
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676984	0	39	-1.0	-51.44	318.34	5.70	-45.74
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1	REAL300007676985	0	30	-1.0	-43.56	275.85	2.03	-41.53
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300007676986	0	35	-1.0	-53.73	296.60	5.68	-48.05
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC(C)=C1F	REAL300007676987	0	35	-1.0	-46.00	306.21	5.46	-40.54
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300007676988	0	36	-1.0	-50.62	315.09	3.88	-46.74
O=C([O-])C1CCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300007676989	0	42	-1.0	-48.80	359.97	5.70	-43.10
O=C([O-])C1CCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C1	REAL300007676990	0	33	-1.0	-52.99	289.50	3.96	-49.03
O=C([O-])C1CCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300007676991	0	31	-1.0	-54.37	286.98	3.84	-50.53
O=C([O-])C1CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300007676992	0	32	-1.0	-46.69	299.68	5.38	-41.31
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2)=CC=C1Cl	REAL300007676993	0	32	-1.0	-45.25	293.97	5.21	-40.04
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300007676994	0	35	-1.0	-57.74	307.27	5.11	-52.63
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3)C=C2)=N1	REAL300007676995	0	38	-1.0	-48.15	345.33	5.60	-42.55
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300007676996	0	37	-1.0	-49.78	306.07	5.36	-44.42
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300007676997	0	36	-1.0	-54.86	324.54	1.99	-52.87
O=C([O-])C1CCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300007676998	0	38	-1.0	-49.73	316.35	4.52	-45.21
O=C([O-])C1CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300007676999	0	32	-1.0	-49.43	302.69	5.38	-44.05
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300007677000	0	54	-1.0	-46.77	439.45	9.06	-37.71
COC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679464	0	33	-1.0	-58.43	295.60	3.44	-54.99
CC1=C(Br)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007679465	0	34	-1.0	-48.01	324.52	5.34	-42.67
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679466	0	40	-1.0	-45.39	353.44	3.75	-41.64
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300007679467	0	40	-1.0	-43.33	353.22	0.71	-42.62
O=C([O-])C(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C1CC1	REAL300007679468	0	47	-1.0	-53.88	348.89	5.26	-48.62
CC1=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=CC=C2C=C1	REAL300007679469	0	37	-1.0	-63.46	322.45	4.82	-58.64
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300007679470	0	37	-1.0	-53.68	329.46	5.56	-48.12
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C1CC1	REAL300007679471	0	40	-1.0	-55.98	339.87	2.14	-53.84
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679472	0	43	-1.0	-42.37	365.82	4.91	-37.46
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679473	0	43	-1.0	-60.91	380.09	4.97	-55.94
COCCOCCOCCS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679474	0	43	-1.0	-57.71	368.09	0.86	-56.85
CC(COC1CCCC1)CS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679475	0	45	-1.0	-56.97	360.17	4.93	-52.04
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C1CC1	REAL300007679476	0	44	-1.0	-40.92	366.45	5.14	-35.78
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679477	0	36	-1.0	-52.99	327.96	3.83	-49.16
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C1CC1	REAL300007679478	0	37	-1.0	-52.88	320.68	1.35	-51.53
COC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679479	0	33	-1.0	-53.21	312.68	3.50	-49.71
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C1CC1	REAL300007679480	0	33	-1.0	-40.04	289.65	4.04	-36.00
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300007679481	0	35	-1.0	-43.29	321.64	4.46	-38.83
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679482	0	35	-1.0	-39.58	316.00	5.55	-34.03
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679483	0	35	-1.0	-40.87	316.18	5.54	-35.33
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1C(F)(F)F	REAL300007679484	0	35	-1.0	-41.64	320.54	5.23	-36.41
O=C([O-])C(NS(=O)(=O)CCCN1CCOCC1)C1CC1	REAL300007679485	0	41	-1.0	-40.65	333.03	0.54	-40.11
COCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300007679486	0	36	-1.0	-55.41	320.28	1.17	-54.24
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C1CC1	REAL300007679487	0	36	-1.0	-49.35	330.45	4.27	-45.08
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1C	REAL300007679488	0	56	-1.0	-45.86	449.60	8.15	-37.71
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300007679489	0	43	-1.0	-38.94	372.95	1.55	-37.39
O=C([O-])C(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300007679490	0	37	-1.0	-43.80	338.16	5.86	-37.94
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C1CC1	REAL300007679491	0	34	-1.0	-56.60	300.99	3.88	-52.72
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(Br)=C1)C1CC1	REAL300007679492	0	32	-1.0	-59.12	306.80	4.92	-54.20
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1Br)C1CC1	REAL300007679493	0	32	-1.0	-43.97	299.70	4.86	-39.11
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C1CC1	REAL300007679494	0	36	-1.0	-59.26	330.70	1.59	-57.67
CC1=CC(Br)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679495	0	32	-1.0	-52.10	304.59	4.87	-47.23
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679496	0	32	-1.0	-52.48	294.69	4.90	-47.58
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Br	REAL300007679497	0	33	-1.0	-43.30	316.04	3.69	-39.61
COC1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300007679498	0	37	-1.0	-42.21	321.82	3.69	-38.52
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C1CC1	REAL300007679499	0	32	-1.0	-59.03	304.48	2.62	-56.41
O=C([O-])C(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C1CC1	REAL300007679500	0	32	-1.0	-53.61	301.66	2.45	-51.16
CC1(C)CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C2O1	REAL300007679501	0	40	-1.0	-47.09	343.53	4.98	-42.11
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C1CC1	REAL300007679502	0	32	-1.0	-45.35	296.51	2.59	-42.76
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679503	0	40	-1.0	-42.27	316.13	1.72	-40.55
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1I	REAL300007679504	0	32	-1.0	-42.89	311.47	5.37	-37.52
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679505	0	41	-1.0	-51.30	365.49	2.83	-48.47
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679506	0	46	-1.0	-50.49	402.91	3.45	-47.04
CSC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679507	0	33	-1.0	-58.85	296.97	4.68	-54.17
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679508	0	46	-1.0	-49.94	404.74	2.13	-47.81
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300007679509	0	37	-1.0	-42.65	345.08	0.50	-42.15
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300007679510	0	43	-1.0	-62.14	397.95	1.25	-60.89
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(OC)=C1	REAL300007679511	0	44	-1.0	-63.28	384.01	1.01	-62.27
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(F)=C1	REAL300007679512	0	43	-1.0	-46.75	383.94	1.93	-44.82
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679513	0	43	-1.0	-49.33	385.24	1.52	-47.81
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679514	0	40	-1.0	-51.42	340.14	4.07	-47.35
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300007679515	0	43	-1.0	-40.63	383.77	2.07	-38.56
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C1CC1	REAL300007679516	0	44	-1.0	-47.56	364.21	4.43	-43.13
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300007679517	0	40	-1.0	-41.95	366.54	1.39	-40.56
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C1CC1	REAL300007679518	0	44	-1.0	-45.25	375.61	4.06	-41.19
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C1CC1	REAL300007679519	0	41	-1.0	-56.66	351.04	3.59	-53.07
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679520	0	38	-1.0	-45.88	348.28	2.15	-43.73
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679521	0	39	-1.0	-65.57	349.87	0.89	-64.68
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Br	REAL300007679522	0	36	-1.0	-43.30	333.62	4.51	-38.79
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C1=CC=CC=C1	REAL300007679523	0	43	-1.0	-46.34	370.07	6.68	-39.66
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C1CC1	REAL300007679524	0	33	-1.0	-40.14	299.98	4.49	-35.65
O=C([O-])C(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C1CC1	REAL300007679525	0	35	-1.0	-41.29	342.32	1.74	-39.55
COC1=CC=C(Br)C(CS(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679526	0	36	-1.0	-58.77	331.70	4.18	-54.59
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2S1	REAL300007679527	0	43	-1.0	-53.64	372.79	5.49	-48.15
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679528	0	36	-1.0	-42.15	315.80	5.01	-37.14
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C21	REAL300007679529	0	41	-1.0	-55.85	352.62	5.13	-50.72
CCS(=O)(=O)NCCS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679530	0	36	-1.0	-61.50	325.61	-1.66	-63.16
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)OC2=CC=C(F)C=C12	REAL300007679531	0	35	-1.0	-45.84	310.76	5.29	-40.55
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C1CC1	REAL300007679532	0	32	-1.0	-53.31	315.93	5.51	-47.80
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC(Cl)=CC=C2S1	REAL300007679533	0	35	-1.0	-57.90	328.19	6.47	-51.43
O=C([O-])C(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12)C1CC1	REAL300007679534	0	32	-1.0	-52.94	314.31	5.45	-47.49
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C1CC1	REAL300007679535	0	35	-1.0	-58.26	318.63	6.46	-51.80
O=C([O-])C(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C1CC1	REAL300007679536	0	35	-1.0	-41.97	322.86	5.41	-36.56
O=C([O-])C(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C1CC1	REAL300007679537	0	40	-1.0	-58.76	342.85	4.94	-53.82
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C1CC1	REAL300007679538	0	43	-1.0	-44.25	373.70	6.98	-37.27
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679539	0	42	-1.0	-49.39	372.63	5.26	-44.13
O=C([O-])C(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C1CC1	REAL300007679540	0	40	-1.0	-60.85	359.60	0.61	-60.24
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=CC(C)=C2S1	REAL300007679541	0	38	-1.0	-56.89	331.71	6.59	-50.30
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1N(C)C	REAL300007679542	0	40	-1.0	-45.14	340.72	4.38	-40.76
O=C([O-])C(NS(=O)(=O)CCC1=CC=CC=C1Br)C1CC1	REAL300007679543	0	35	-1.0	-43.41	320.80	5.52	-37.89
O=C([O-])C(NS(=O)(=O)C1=C2OCCCN2N=C1)C1CC1	REAL300007679544	0	34	-1.0	-59.89	293.21	0.65	-59.24
O=C([O-])C(NS(=O)(=O)CCOCC1CCCC1)C1CC1	REAL300007679545	0	42	-1.0	-54.28	344.35	4.01	-50.27
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300007679546	0	36	-1.0	-56.68	321.92	4.23	-52.45
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679547	0	38	-1.0	-70.90	344.05	1.77	-69.13
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300007679548	0	33	-1.0	-43.32	317.07	5.09	-38.23
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679549	0	41	-1.0	-46.09	334.74	4.04	-42.05
O=C([O-])C(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C1CC1	REAL300007679550	0	37	-1.0	-52.79	331.00	2.09	-50.70
CCC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C12	REAL300007679551	0	36	-1.0	-44.51	327.29	1.43	-43.08
O=C([O-])C(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C1CC1	REAL300007679552	0	40	-1.0	-46.24	358.39	3.45	-42.79
CN1N=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CN=C21	REAL300007679553	0	34	-1.0	-44.67	306.19	2.74	-41.93
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C1CC1	REAL300007679554	0	35	-1.0	-53.48	326.88	6.43	-47.05
CCC1=CC(CC)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(CC)=C1	REAL300007679555	0	47	-1.0	-53.30	360.92	8.08	-45.22
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679556	1	44	-1.0	-67.16	381.25	0.60	-66.56
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C1CC1	REAL300007679557	0	35	-1.0	-42.28	334.72	1.82	-40.46
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C1CC1	REAL300007679558	0	38	-1.0	-66.93	329.79	7.41	-59.52
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=C1F	REAL300007679559	0	36	-1.0	-52.36	310.05	3.83	-48.53
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C1CC1	REAL300007679560	0	38	-1.0	-56.06	323.01	5.02	-51.04
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C1CC1	REAL300007679562	0	37	-1.0	-51.97	329.27	4.80	-47.17
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679563	0	36	-1.0	-53.35	333.76	3.82	-49.53
CC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C2CC2)C(F)=C1	REAL300007679564	0	35	-1.0	-46.19	309.82	4.99	-41.20
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C1CC1	REAL300007679566	0	29	-1.0	-51.71	293.03	3.77	-47.94
O=C([O-])C(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C1CC1	REAL300007679567	0	42	-1.0	-60.12	346.89	6.79	-53.33
CC(C)(C)C1=CC(CS(=O)(=O)NC(C(=O)[O-])C2CC2)=NO1	REAL300007679568	0	40	-1.0	-43.90	341.22	4.30	-39.60
O=C([O-])C(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C1CC1	REAL300007679569	0	38	-1.0	-49.25	325.82	0.86	-48.39
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C1CC1	REAL300007679570	0	32	-1.0	-47.21	302.27	4.18	-43.03
CC1=C(CCS(=O)(=O)NC(C(=O)[O-])C2CC2)SC=N1	REAL300007679571	0	34	-1.0	-56.36	308.39	2.77	-53.59
COC1=CC=C2C=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)CCC2=C1	REAL300007679572	0	41	-1.0	-55.45	347.06	5.34	-50.11
O=C([O-])C(NS(=O)(=O)CC12CCC(CC1)CC2)C1CC1	REAL300007679573	0	42	-1.0	-56.82	320.58	5.62	-51.20
CC(C)(CCS(=O)(=O)NC(C(=O)[O-])C1CC1)S(C)(=O)=O	REAL300007679574	0	40	-1.0	-70.76	335.00	0.71	-70.05
O=C([O-])C(NS(=O)(=O)CC1CCCCC1(F)F)C1CC1	REAL300007679575	0	38	-1.0	-46.86	318.47	4.84	-42.02
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C12	REAL300007679576	0	44	-1.0	-49.40	385.25	6.89	-42.51
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C12	REAL300007679577	0	48	-1.0	-47.34	407.63	4.50	-42.84
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007679578	0	37	-1.0	-48.10	328.67	5.57	-42.53
O=C([O-])C(NS(=O)(=O)C1=CC=C(Br)C=C1)C1CC1	REAL300007679579	0	29	-1.0	-39.73	283.14	4.24	-35.49
O=C([O-])C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C1CC1	REAL300007679580	0	31	-1.0	-40.66	294.32	4.39	-36.27
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C1CC1	REAL300007679581	0	35	-1.0	-46.17	307.80	5.89	-40.28
O=C([O-])C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C1CC1	REAL300007679582	0	31	-1.0	-41.19	290.07	4.29	-36.90
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679583	0	34	-1.0	-41.96	305.99	5.21	-36.75
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C1CC1	REAL300007679584	0	31	-1.0	-50.57	283.57	5.21	-45.36
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679585	0	36	-1.0	-40.84	315.74	5.04	-35.80
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1C	REAL300007679586	0	41	-1.0	-54.52	322.62	6.21	-48.31
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679587	0	44	-1.0	-43.99	353.11	6.84	-37.15
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007679588	0	32	-1.0	-41.83	305.19	4.74	-37.09
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C1CC1	REAL300007679589	0	32	-1.0	-56.16	286.39	5.14	-51.02
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007679590	0	35	-1.0	-43.60	317.38	4.35	-39.25
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679591	0	41	-1.0	-43.49	338.04	5.94	-37.55
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679592	0	46	-1.0	-50.02	402.84	3.44	-46.58
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679593	0	40	-1.0	-50.17	362.41	1.68	-48.49
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Br	REAL300007679594	0	33	-1.0	-43.57	316.03	3.69	-39.88
O=C([O-])C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1CC1	REAL300007679595	0	35	-1.0	-49.68	339.71	5.61	-44.07
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Br	REAL300007679596	0	32	-1.0	-42.36	305.61	4.91	-37.45
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2)=C1	REAL300007679597	0	43	-1.0	-47.41	376.21	7.23	-40.18
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C1CC1	REAL300007679598	0	33	-1.0	-40.95	312.08	3.52	-37.43
CC1=C(C)C(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=C1C	REAL300007679599	0	44	-1.0	-47.13	339.94	6.82	-40.31
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C1CC1	REAL300007679600	0	38	-1.0	-50.31	328.94	3.66	-46.65
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679601	0	45	-1.0	-60.35	367.53	5.73	-54.62
CN1C=C(Br)C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C21	REAL300007679602	0	36	-1.0	-54.48	335.19	5.92	-48.56
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007679603	0	34	-1.0	-48.15	310.31	4.92	-43.23
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679604	0	33	-1.0	-58.19	312.65	4.04	-54.15
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679605	0	47	-1.0	-53.68	361.98	7.40	-46.28
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300007679606	0	32	-1.0	-40.96	304.84	4.73	-36.23
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C1CC1	REAL300007679607	0	39	-1.0	-44.66	324.56	6.11	-38.55
COC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679608	0	37	-1.0	-62.02	320.83	2.70	-59.32
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1OC	REAL300007679609	0	37	-1.0	-45.87	320.59	2.82	-43.05
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C1CC1	REAL300007679610	0	37	-1.0	-44.17	312.52	5.93	-38.24
CC(C)CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679611	0	44	-1.0	-42.60	365.29	7.12	-35.48
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1OCC	REAL300007679612	0	43	-1.0	-48.21	368.56	4.76	-43.45
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679613	0	34	-1.0	-50.35	320.33	-1.32	-51.67
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC([N+](=O)[O-])=C1C	REAL300007679614	0	37	-1.0	-51.87	323.02	5.31	-46.56
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1C	REAL300007679615	0	37	-1.0	-58.94	321.37	5.72	-53.22
CC1=CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=C2N=C1	REAL300007679616	0	37	-1.0	-62.77	324.44	4.90	-57.87
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C([N+](=O)[O-])=C1	REAL300007679617	0	35	-1.0	-49.86	313.05	4.50	-45.36
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679618	0	33	-1.0	-54.83	308.06	3.93	-50.90
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679619	0	34	-1.0	-42.94	316.09	-1.43	-44.37
O=C([O-])C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C1CC1	REAL300007679620	0	41	-1.0	-50.26	375.12	1.58	-48.68
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679621	0	37	-1.0	-57.11	330.23	4.99	-52.12
O=C([O-])C(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C1CC1	REAL300007679622	0	38	-1.0	-43.06	320.38	5.00	-38.06
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=CN=C12	REAL300007679623	0	37	-1.0	-55.84	317.10	4.89	-50.95
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300007679624	0	37	-1.0	-49.61	316.22	6.28	-43.33
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679625	0	40	-1.0	-44.20	359.34	1.65	-42.55
O=C([O-])C(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C1CC1	REAL300007679626	0	41	-1.0	-67.39	346.53	2.90	-64.49
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679627	0	35	-1.0	-46.16	326.82	1.24	-44.92
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C1CC1	REAL300007679628	0	39	-1.0	-47.11	329.30	7.51	-39.60
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C1CC1	REAL300007679629	0	35	-1.0	-58.74	304.09	6.00	-52.74
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C1CC1	REAL300007679630	0	39	-1.0	-45.14	336.02	7.03	-38.11
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=CC=C12	REAL300007679631	0	43	-1.0	-55.63	355.36	5.81	-49.82
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NSN=C21)C1CC1	REAL300007679632	0	30	-1.0	-56.76	285.69	1.89	-54.87
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679633	0	33	-1.0	-58.38	308.07	3.93	-54.45
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679634	0	44	-1.0	-43.65	352.28	6.41	-37.24
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300007679635	0	32	-1.0	-42.98	301.59	4.83	-38.15
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679636	0	39	-1.0	-44.75	335.37	4.58	-40.17
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C1CC1	REAL300007679637	0	32	-1.0	-59.15	302.23	4.82	-54.33
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C1CC1	REAL300007679638	0	34	-1.0	-52.18	317.02	6.08	-46.10
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C1CC1	REAL300007679639	0	34	-1.0	-50.57	289.05	4.76	-45.81
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C1CC1	REAL300007679640	0	40	-1.0	-47.31	367.34	7.01	-40.30
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679641	0	35	-1.0	-52.41	319.55	4.08	-48.33
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300007679642	0	33	-1.0	-44.56	297.58	2.98	-41.58
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C1CC1	REAL300007679643	0	40	-1.0	-42.31	367.24	6.98	-35.33
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2)C=C1	REAL300007679644	0	44	-1.0	-47.40	384.31	5.86	-41.54
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C(C)C)=C1	REAL300007679645	0	56	-1.0	-54.31	420.62	9.62	-44.69
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007679646	0	45	-1.0	-56.53	370.03	6.84	-49.69
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C1CC1	REAL300007679647	0	32	-1.0	-57.58	315.27	5.23	-52.35
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007679648	0	39	-1.0	-48.32	333.77	5.40	-42.92
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C1(C)NC(=O)NC1=O	REAL300007679649	0	45	-1.0	-58.25	379.49	1.19	-57.06
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679650	0	34	-1.0	-51.30	306.00	5.20	-46.10
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679651	0	34	-1.0	-43.25	299.47	5.02	-38.23
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679652	0	37	-1.0	-60.14	321.08	6.03	-54.11
CC(C)CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679653	0	41	-1.0	-44.62	347.25	6.41	-38.21
COCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679654	0	39	-1.0	-44.86	342.66	4.24	-40.62
COCCN(CCOC)S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679655	0	41	-1.0	-53.53	337.67	0.95	-52.58
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679656	0	32	-1.0	-40.97	293.68	5.04	-35.93
COC1=C(C)C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300007679657	0	39	-1.0	-53.55	333.31	4.42	-49.13
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679658	0	45	-1.0	-42.89	373.74	5.93	-36.96
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C1CC1	REAL300007679659	0	43	-1.0	-42.84	356.48	5.84	-37.00
CC(C)COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679660	0	42	-1.0	-43.11	354.78	5.33	-37.78
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679661	0	39	-1.0	-43.18	334.68	4.63	-38.55
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Cl	REAL300007679662	0	33	-1.0	-43.58	311.64	3.58	-40.00
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C1CC1	REAL300007679663	0	33	-1.0	-43.73	317.14	3.74	-39.99
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1OC(C)C	REAL300007679664	0	42	-1.0	-44.21	351.21	5.21	-39.00
COCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679665	0	40	-1.0	-48.56	351.06	3.22	-45.34
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679666	0	32	-1.0	-40.20	298.81	5.15	-35.05
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1C	REAL300007679667	0	37	-1.0	-58.83	310.23	6.46	-52.37
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679668	0	38	-1.0	-53.73	337.62	2.05	-51.68
O=C([O-])C(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C1CC1	REAL300007679669	0	41	-1.0	-49.40	375.12	1.57	-47.83
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679670	0	37	-1.0	-50.02	342.70	-0.10	-50.12
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679671	0	37	-1.0	-48.86	319.57	2.43	-46.43
O=C([O-])C(NS(=O)(=O)C1=CSC2=CC=CC=C21)C1CC1	REAL300007679672	0	32	-1.0	-45.48	300.95	5.03	-40.45
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1F	REAL300007679673	0	33	-1.0	-41.99	297.59	2.98	-39.01
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C1CC1	REAL300007679674	0	39	-1.0	-49.01	340.32	7.14	-41.87
O=C([O-])C(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C1CC1	REAL300007679675	0	32	-1.0	-38.43	316.60	5.30	-33.13
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)S2)=CS1	REAL300007679676	0	35	-1.0	-46.36	343.44	4.25	-42.11
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C1CC1	REAL300007679677	0	49	-1.0	-44.62	400.68	7.34	-37.28
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679678	0	37	-1.0	-50.68	310.64	5.42	-45.26
CNC(=O)C1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CN1C	REAL300007679679	0	37	-1.0	-55.58	324.62	1.20	-54.38
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=C1	REAL300007679680	0	39	-1.0	-52.75	318.15	4.42	-48.33
O=C([O-])C(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C1CC1	REAL300007679681	0	40	-1.0	-55.48	343.93	7.66	-47.82
COC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300007679682	0	39	-1.0	-44.14	326.43	4.56	-39.58
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=CN=C2C=C1	REAL300007679683	0	37	-1.0	-48.44	311.58	4.90	-43.54
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C1CC1	REAL300007679684	0	34	-1.0	-49.10	300.80	4.23	-44.87
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC(C(=O)[O-])C1CC1)=C2	REAL300007679685	0	42	-1.0	-53.32	365.90	7.57	-45.75
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C([N+](=O)[O-])=N1	REAL300007679686	0	34	-1.0	-54.61	311.03	4.45	-50.16
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C1CC1	REAL300007679687	0	36	-1.0	-41.85	332.75	4.30	-37.55
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C1CC1	REAL300007679688	0	43	-1.0	-44.20	373.09	6.90	-37.30
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679689	0	37	-1.0	-60.43	324.95	4.86	-55.57
O=C([O-])C(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C1CC1	REAL300007679690	0	39	-1.0	-57.47	346.50	5.12	-52.35
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679691	0	51	-1.0	-54.94	394.01	6.40	-48.54
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679692	0	37	-1.0	-45.13	339.64	0.43	-44.70
O=C([O-])C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C1CC1	REAL300007679693	0	44	-1.0	-57.23	383.84	2.72	-54.51
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007679694	0	42	-1.0	-57.13	354.26	6.28	-50.85
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679695	0	39	-1.0	-59.76	334.62	5.00	-54.76
O=C([O-])C(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C1CC1	REAL300007679696	0	34	-1.0	-71.18	310.24	3.75	-67.43
O=C([O-])C(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C1CC1	REAL300007679697	0	36	-1.0	-53.91	323.21	4.72	-49.19
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679698	0	43	-1.0	-48.83	372.92	4.19	-44.64
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679699	0	45	-1.0	-44.75	381.94	6.31	-38.44
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C1CC1	REAL300007679700	0	39	-1.0	-44.55	315.36	6.21	-38.34
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C1CC1	REAL300007679701	0	35	-1.0	-48.60	313.05	5.50	-43.10
O=C([O-])C(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C1CC1	REAL300007679702	0	33	-1.0	-39.40	318.22	5.08	-34.32
O=C([O-])C(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C1CC1	REAL300007679703	0	37	-1.0	-66.17	323.25	4.80	-61.37
O=C([O-])C(NS(=O)(=O)C1CCS(=O)(=O)CC1)C1CC1	REAL300007679704	0	35	-1.0	-46.02	307.04	0.11	-45.91
O=C([O-])C(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C1CC1	REAL300007679705	0	34	-1.0	-43.08	310.10	3.79	-39.29
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=C1	REAL300007679706	0	39	-1.0	-54.48	326.99	4.73	-49.75
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679707	0	37	-1.0	-61.59	336.37	-0.28	-61.87
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C1CC1	REAL300007679708	0	33	-1.0	-57.25	301.09	3.67	-53.58
CSC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679709	0	33	-1.0	-45.22	306.29	4.74	-40.48
O=C([O-])C(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C1CC1	REAL300007679710	0	35	-1.0	-59.61	322.09	5.25	-54.36
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679711	0	40	-1.0	-56.78	331.41	5.40	-51.38
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C1CC1	REAL300007679712	0	35	-1.0	-49.04	305.78	3.35	-45.69
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C1CC1	REAL300007679713	0	34	-1.0	-55.96	299.22	4.10	-51.86
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C1CC1	REAL300007679714	0	41	-1.0	-57.03	354.67	5.57	-51.46
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(F)(F)F	REAL300007679715	0	35	-1.0	-40.92	316.27	5.13	-35.79
O=C([O-])C(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C1CC1	REAL300007679716	0	35	-1.0	-45.95	323.37	4.81	-41.14
O=C([O-])C(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C1CC1	REAL300007679717	0	38	-1.0	-47.95	330.93	5.32	-42.63
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C12	REAL300007679718	0	37	-1.0	-45.21	328.17	3.34	-41.87
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679719	0	36	-1.0	-59.44	330.42	4.20	-55.24
CC1(C)CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=C2O1	REAL300007679720	0	40	-1.0	-60.44	340.82	4.83	-55.61
O=C([O-])C(NS(=O)(=O)CC1=CC=CC=C1Cl)C1CC1	REAL300007679721	0	32	-1.0	-44.17	296.48	4.73	-39.44
O=C([O-])C(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C1CC1	REAL300007679722	0	41	-1.0	-59.02	358.45	2.12	-56.90
O=C([O-])C(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C1CC1	REAL300007679723	0	36	-1.0	-57.95	331.50	4.10	-53.85
COC1=CC(OC)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Br	REAL300007679724	0	37	-1.0	-42.19	326.21	3.80	-38.39
O=C([O-])C(NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1)C1CC1	REAL300007679725	0	42	-1.0	-55.40	382.94	5.79	-49.61
O=C([O-])C(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1CC1	REAL300007679726	0	37	-1.0	-48.52	322.21	4.24	-44.28
O=C([O-])C(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C1CC1	REAL300007679727	0	32	-1.0	-57.25	310.41	5.16	-52.09
CC1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C2O1	REAL300007679728	0	37	-1.0	-54.07	316.66	4.15	-49.92
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679729	0	41	-1.0	-54.11	315.98	6.79	-47.32
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679730	0	41	-1.0	-43.23	350.79	2.64	-40.59
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1CC1	REAL300007679731	0	40	-1.0	-45.41	371.52	7.09	-38.32
O=C([O-])C(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C1CC1	REAL300007679732	0	35	-1.0	-49.56	319.25	4.56	-45.00
O=C([O-])C(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C1CC1	REAL300007679733	0	35	-1.0	-45.65	333.71	5.26	-40.39
CC1=NC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2)=CO1	REAL300007679734	0	38	-1.0	-49.14	338.23	2.68	-46.46
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C(F)(F)F)=N1	REAL300007679735	0	32	-1.0	-46.76	299.95	2.53	-44.23
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C1CC1	REAL300007679736	0	37	-1.0	-45.24	315.54	4.25	-40.99
CC1=CC=C(N2C=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=N2)C=C1	REAL300007679737	0	39	-1.0	-53.65	344.55	5.39	-48.26
CC1CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC(Cl)=C2O1	REAL300007679738	0	37	-1.0	-51.83	335.71	4.71	-47.12
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1[N+](=O)[O-]	REAL300007679739	0	34	-1.0	-41.05	310.34	4.90	-36.15
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300007679740	0	40	-1.0	-52.55	349.57	4.38	-48.17
O=C([O-])C(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C1CC1	REAL300007679741	0	31	-1.0	-47.11	298.10	3.23	-43.88
CC1=CC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2C=C1	REAL300007679742	0	38	-1.0	-56.48	329.13	6.52	-49.96
O=C([O-])C(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C1CC1	REAL300007679743	0	34	-1.0	-46.92	311.77	3.75	-43.17
O=C([O-])C(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C1CC1	REAL300007679744	0	35	-1.0	-42.30	326.67	5.71	-36.59
CN1CCCC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C21	REAL300007679745	0	41	-1.0	-48.83	340.34	4.27	-44.56
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C1CC1	REAL300007679746	0	31	-1.0	-41.01	297.35	2.95	-38.06
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679747	0	37	-1.0	-51.99	319.21	4.25	-47.74
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679748	0	37	-1.0	-50.49	319.43	5.64	-44.85
CC1=CC=C(C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1[N+](=O)[O-]	REAL300007679749	0	37	-1.0	-59.50	317.87	6.63	-52.87
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1[N+](=O)[O-]	REAL300007679750	0	37	-1.0	-60.11	322.47	5.76	-54.35
COC1=CC=C(CCS(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679751	0	39	-1.0	-42.84	334.11	4.37	-38.47
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300007679752	0	38	-1.0	-44.54	336.98	5.33	-39.21
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(OC)=C1	REAL300007679753	0	37	-1.0	-57.50	320.86	2.20	-55.30
CC1=CC2=C(C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1)OCO2	REAL300007679754	0	35	-1.0	-56.88	303.77	3.20	-53.68
COC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Cl	REAL300007679755	0	33	-1.0	-43.33	311.65	3.59	-39.74
CN1C=NC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C21	REAL300007679756	0	35	-1.0	-52.95	314.36	5.08	-47.87
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300007679757	0	37	-1.0	-50.90	310.32	5.23	-45.67
CC1=NC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2O1	REAL300007679758	0	34	-1.0	-47.07	305.50	1.28	-45.79
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1CC	REAL300007679759	0	41	-1.0	-44.52	338.92	6.18	-38.34
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679760	0	37	-1.0	-48.68	318.24	5.87	-42.81
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679761	0	39	-1.0	-60.15	323.76	5.39	-54.76
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679762	0	30	-1.0	-42.12	288.60	1.60	-40.52
O=C([O-])C(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C1CC1	REAL300007679763	0	35	-1.0	-61.22	311.82	5.10	-56.12
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(C)=C1F	REAL300007679764	0	35	-1.0	-51.85	308.91	4.93	-46.92
O=C([O-])C(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C1CC1	REAL300007679765	0	36	-1.0	-47.44	317.84	3.36	-44.08
O=C([O-])C(NS(=O)(=O)CCCOCC1=CC=CC=C1)C1CC1	REAL300007679766	0	42	-1.0	-60.22	362.53	5.16	-55.06
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC=CC(F)=C12)C1CC1	REAL300007679767	0	33	-1.0	-53.97	302.88	3.75	-50.22
O=C([O-])C(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C1CC1	REAL300007679768	0	31	-1.0	-47.88	281.95	3.55	-44.33
O=C([O-])C(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C1CC1	REAL300007679769	0	32	-1.0	-57.10	302.24	4.83	-52.27
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Cl	REAL300007679770	0	32	-1.0	-42.28	301.57	4.82	-37.46
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C1CC1	REAL300007679771	0	35	-1.0	-53.88	314.21	4.71	-49.17
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2)=N1	REAL300007679772	0	38	-1.0	-46.14	352.33	5.19	-40.95
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C1CC1	REAL300007679773	0	37	-1.0	-59.25	313.14	4.78	-54.47
O=C([O-])C(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C1CC1	REAL300007679774	0	36	-1.0	-47.40	326.97	1.47	-45.93
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C1CC1	REAL300007679775	0	38	-1.0	-51.73	313.58	4.16	-47.57
O=C([O-])C(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C1CC1	REAL300007679776	0	32	-1.0	-56.31	303.23	4.79	-51.52
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679777	0	54	-1.0	-44.79	446.43	8.66	-36.13
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679778	0	39	-1.0	-40.91	337.24	5.84	-35.07
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679779	0	42	-1.0	-53.48	349.76	5.21	-48.27
COC(CS(=O)(=O)NC(C(=O)[O-])C1CC1)C1CCCC1	REAL300007679780	0	42	-1.0	-54.55	335.78	3.86	-50.69
COC(CS(=O)(=O)NC(C(=O)[O-])C1CC1)C1CCCCC1	REAL300007679781	0	45	-1.0	-54.70	352.37	4.40	-50.30
O=C([O-])C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C1CC1	REAL300007679782	0	43	-1.0	-45.26	383.60	7.07	-38.19
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007679783	0	48	-1.0	-45.85	397.58	6.77	-39.08
CCC1=NC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CN1CC1CC1	REAL300007679784	0	42	-1.0	-56.80	359.27	6.17	-50.63
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C1CC1	REAL300007679785	0	32	-1.0	-53.02	302.53	3.13	-49.89
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=C1[N+](=O)[O-]	REAL300007679786	0	37	-1.0	-45.13	325.75	6.07	-39.06
O=C([O-])C(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C1CC1	REAL300007679787	0	42	-1.0	-45.51	367.09	6.05	-39.46
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679788	0	32	-1.0	-43.07	307.69	2.34	-40.73
O=C([O-])C(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C1CC1	REAL300007679789	0	40	-1.0	-58.29	362.47	7.68	-50.61
O=C([O-])C(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C1CC1	REAL300007679790	0	39	-1.0	-59.26	326.97	7.01	-52.25
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(C)=C1OCC1=CC=CC=C1	REAL300007679791	0	49	-1.0	-54.28	415.07	8.45	-45.83
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(C)C=C1OC	REAL300007679792	0	42	-1.0	-57.01	349.75	5.21	-51.80
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1CC1	REAL300007679793	0	35	-1.0	-40.88	337.31	5.59	-35.29
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=N1	REAL300007679794	1	31	-1.0	-62.78	290.18	2.62	-60.16
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=CC=C2C=C1	REAL300007679795	0	38	-1.0	-57.02	313.87	6.75	-50.27
CC(C)OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300007679796	0	38	-1.0	-43.30	331.02	2.18	-41.12
COC1=C(F)C=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679797	0	33	-1.0	-46.60	297.93	3.71	-42.89
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007679798	0	45	-1.0	-46.09	376.08	5.97	-40.12
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1F	REAL300007679799	0	41	-1.0	-45.76	344.34	5.97	-39.79
O=C([O-])C(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C1CC1	REAL300007679800	0	48	-1.0	-57.57	385.21	8.07	-49.50
CN1N=C2CCCCC2=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679801	0	39	-1.0	-45.69	319.18	3.59	-42.10
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C(C)(C)C)=N1	REAL300007679802	0	41	-1.0	-41.78	331.35	3.85	-37.93
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C1CC1	REAL300007679803	0	39	-1.0	-55.42	330.23	3.96	-51.46
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679804	0	32	-1.0	-46.40	293.24	2.42	-43.98
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679805	0	36	-1.0	-59.61	320.08	3.75	-55.86
C=CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679806	0	39	-1.0	-44.43	343.29	6.51	-37.92
CCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007679807	0	51	-1.0	-45.29	419.07	7.55	-37.74
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C1CC1	REAL300007679808	0	33	-1.0	-53.64	309.59	5.28	-48.36
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(C)(C)C	REAL300007679809	0	51	-1.0	-46.69	410.13	7.44	-39.25
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1CC	REAL300007679810	0	45	-1.0	-43.80	376.41	6.13	-37.67
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679811	0	35	-1.0	-50.49	306.76	5.72	-44.77
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679812	0	35	-1.0	-41.45	325.50	5.59	-35.86
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C1CC1	REAL300007679813	0	33	-1.0	-46.12	312.26	5.35	-40.77
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679814	0	45	-1.0	-49.17	379.51	6.53	-42.64
O=C([O-])C(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C1CC1	REAL300007679815	0	34	-1.0	-57.61	297.12	4.13	-53.48
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=C2)C=C1	REAL300007679816	0	44	-1.0	-47.05	395.00	7.59	-39.46
O=C([O-])C(NS(=O)(=O)C1=CC=NN1CC1CCC1)C1CC1	REAL300007679817	0	39	-1.0	-50.24	330.40	4.18	-46.06
CC1(C)COC2=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=NN2C1	REAL300007679818	0	40	-1.0	-59.50	331.26	1.76	-57.74
O=C([O-])C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C1CC1	REAL300007679819	0	35	-1.0	-46.69	330.82	4.60	-42.09
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007679820	0	54	-1.0	-43.42	436.32	8.22	-35.20
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300007679821	0	45	-1.0	-45.56	365.04	5.73	-39.83
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679822	0	39	-1.0	-45.51	337.41	5.04	-40.47
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C(C)C	REAL300007679823	0	52	-1.0	-47.83	427.30	6.09	-41.74
CC1CC2=CC=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=C2O1	REAL300007679824	0	37	-1.0	-59.31	318.37	4.18	-55.13
CC(C)(C)C1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)S1	REAL300007679825	0	37	-1.0	-44.09	332.66	3.37	-40.72
O=C([O-])C(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C1CC1	REAL300007679826	0	35	-1.0	-58.67	309.80	4.06	-54.61
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679827	0	34	-1.0	-58.41	306.46	3.33	-55.08
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12)C1CC1	REAL300007679828	0	33	-1.0	-54.41	318.08	4.19	-50.22
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C1CC1	REAL300007679829	0	32	-1.0	-48.49	304.95	5.16	-43.33
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=C1F	REAL300007679830	0	38	-1.0	-51.27	313.42	5.80	-45.47
COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1OC	REAL300007679831	0	37	-1.0	-49.53	321.18	3.51	-46.02
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C2CCCC2)=N1	REAL300007679832	0	42	-1.0	-47.54	350.16	4.54	-43.00
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679833	0	41	-1.0	-47.54	339.82	4.26	-43.28
CCCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C)=N1	REAL300007679834	0	41	-1.0	-53.49	351.08	4.30	-49.19
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C1CC1	REAL300007679835	0	33	-1.0	-45.54	301.09	3.19	-42.35
CN1N=NC2=C(S(=O)(=O)NC(C(=O)[O-])C3CC3)C=CC=C21	REAL300007679836	0	34	-1.0	-62.87	305.46	1.98	-60.89
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1Br	REAL300007679837	0	35	-1.0	-55.90	316.12	5.57	-50.33
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C1CC1	REAL300007679838	0	35	-1.0	-39.61	326.14	4.65	-34.96
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C2CCC2)=N1	REAL300007679839	0	39	-1.0	-54.93	335.39	3.99	-50.94
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679840	0	47	-1.0	-57.81	373.10	7.52	-50.29
O=C([O-])C(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1CC1	REAL300007679841	0	35	-1.0	-42.09	334.22	5.52	-36.57
O=C([O-])C(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C1CC1	REAL300007679842	0	39	-1.0	-52.50	334.42	4.19	-48.31
O=C([O-])C(NS(=O)(=O)C1=C(C2CC2)C=CS1)C1CC1	REAL300007679843	0	33	-1.0	-43.94	291.59	4.46	-39.48
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C1CC1	REAL300007679844	0	40	-1.0	-58.38	361.62	6.44	-51.94
COC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=NC=CC=C2C=C1	REAL300007679845	0	38	-1.0	-57.17	326.39	4.92	-52.25
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679846	0	38	-1.0	-51.70	309.24	3.61	-48.09
CC(C)(C)N1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300007679847	0	38	-1.0	-52.76	324.93	3.27	-49.49
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CN=C1C(F)(F)F	REAL300007679848	0	34	-1.0	-48.64	312.90	3.41	-45.23
O=C([O-])C(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C1CC1	REAL300007679849	0	32	-1.0	-49.85	304.88	4.60	-45.25
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679850	0	40	-1.0	-59.98	346.45	5.62	-54.36
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C1CC1	REAL300007679851	0	40	-1.0	-46.84	335.48	6.76	-40.08
O=C([O-])C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C1CC1	REAL300007679852	0	35	-1.0	-41.31	320.40	4.54	-36.77
O=C([O-])C(NS(=O)(=O)CC1=NOC2=C1COCC2)C1CC1	REAL300007679853	0	36	-1.0	-63.35	312.66	1.90	-61.45
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679854	0	39	-1.0	-41.47	358.02	4.39	-37.08
O=C([O-])C(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C1CC1	REAL300007679855	0	29	-1.0	-41.60	279.83	3.96	-37.64
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1CCCC1)C1CC1	REAL300007679856	0	39	-1.0	-51.08	327.54	4.22	-46.86
CCC(C)N1N=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679857	0	38	-1.0	-43.30	315.64	3.33	-39.97
CN(C1CCCCCC1)S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679858	0	43	-1.0	-56.07	327.80	4.35	-51.72
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C2CCOCC2)=N1	REAL300007679859	0	43	-1.0	-54.39	359.39	2.72	-51.67
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679860	0	35	-1.0	-42.52	319.35	5.25	-37.27
O=C([O-])C(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C1CC1	REAL300007679861	0	33	-1.0	-54.69	301.13	3.17	-51.52
O=C([O-])C(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C1CC1	REAL300007679862	0	44	-1.0	-54.85	355.16	6.19	-48.66
CC1=CC(C)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300007679863	0	40	-1.0	-63.19	328.74	5.69	-57.50
O=C([O-])C(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C1CC1	REAL300007679864	0	37	-1.0	-54.36	315.20	3.64	-50.72
CCOCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679865	0	39	-1.0	-49.74	343.05	4.42	-45.32
O=C([O-])C(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C1CC1	REAL300007679866	0	32	-1.0	-55.13	321.71	5.63	-49.50
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679867	0	39	-1.0	-48.01	343.66	4.89	-43.12
O=C([O-])C(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C1CC1	REAL300007679868	0	42	-1.0	-54.65	346.95	4.50	-50.15
O=C([O-])C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1CC1	REAL300007679869	0	40	-1.0	-44.17	350.53	6.47	-37.70
CC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC(C)=C1Br	REAL300007679870	0	35	-1.0	-51.69	317.43	5.29	-46.40
O=C([O-])C(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C1CC1	REAL300007679871	0	32	-1.0	-55.13	321.71	5.63	-49.50
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=CC=CC=C12	REAL300007679872	0	38	-1.0	-59.10	321.83	6.53	-52.57
CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C2=CC=CC=C2)=N1	REAL300007679873	0	39	-1.0	-56.43	336.97	5.09	-51.34
O=C([O-])C(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C1CC1	REAL300007679874	0	33	-1.0	-53.56	314.15	5.38	-48.18
O=C([O-])C(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C1CC1	REAL300007679875	0	33	-1.0	-45.13	319.31	5.53	-39.60
O=C([O-])C(NS(=O)(=O)CCC1NC(=O)NC1=O)C1CC1	REAL300007679876	0	34	-1.0	-63.81	304.95	-2.45	-66.26
O=C([O-])C(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C1CC1	REAL300007679877	0	31	-1.0	-45.57	292.79	3.01	-42.56
CC1=NC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C(C2=CC=CC=C2)O1	REAL300007679878	0	38	-1.0	-51.81	335.86	2.54	-49.27
O=C([O-])C(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C1CC1	REAL300007679879	0	46	-1.0	-58.72	338.74	6.47	-52.25
CS(=O)(=O)CCCCS(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679880	0	37	-1.0	-66.97	332.23	0.40	-66.57
CC1(C)CCC(CS(=O)(=O)NC(C(=O)[O-])C2CC2)OC1	REAL300007679881	0	42	-1.0	-42.57	336.05	4.00	-38.57
O=C([O-])C(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C1CC1	REAL300007679882	0	33	-1.0	-50.79	312.64	2.72	-48.07
O=C([O-])C(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C1CC1	REAL300007679883	0	39	-1.0	-58.78	343.69	6.46	-52.32
O=C([O-])C(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C1CC1	REAL300007679884	0	38	-1.0	-45.62	313.21	0.98	-44.64
O=C([O-])C(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C1CC1	REAL300007679885	0	42	-1.0	-57.14	329.50	5.61	-51.53
O=C([O-])C(NS(=O)(=O)C1=CC=C(C2CC2)S1)C1CC1	REAL300007679886	0	33	-1.0	-55.47	304.24	4.89	-50.58
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C21	REAL300007679887	0	51	-1.0	-46.25	391.44	7.79	-38.46
COC1=CC=C(C=C(C)S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679888	0	40	-1.0	-43.77	331.74	4.44	-39.33
COC1=CSC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1OC	REAL300007679889	0	34	-1.0	-58.13	310.82	1.47	-56.66
O=C([O-])C(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C1CC1	REAL300007679890	0	41	-1.0	-55.08	321.03	4.01	-51.07
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679891	0	40	-1.0	-54.46	338.71	5.40	-49.06
O=C([O-])C(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C1CC1	REAL300007679892	0	33	-1.0	-45.69	312.20	4.48	-41.21
COC1=CC(F)=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(F)=C1	REAL300007679893	0	33	-1.0	-57.30	298.38	3.13	-54.17
O=C([O-])C(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C1CC1	REAL300007679894	0	33	-1.0	-47.00	311.61	3.36	-43.64
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679895	0	35	-1.0	-54.08	306.06	3.53	-50.55
CN1C=CC2=CC(S(=O)(=O)NC(C(=O)[O-])C3CC3)=CC=C21	REAL300007679896	0	36	-1.0	-58.03	313.41	5.30	-52.73
O=C([O-])C(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C1CC1	REAL300007679897	0	38	-1.0	-53.57	340.73	4.06	-49.51
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679898	0	42	-1.0	-51.47	354.24	5.98	-45.49
O=C([O-])C(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C1CC1	REAL300007679899	0	40	-1.0	-59.23	352.27	6.50	-52.73
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679900	0	35	-1.0	-46.91	296.99	5.53	-41.38
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C1CC1	REAL300007679901	0	30	-1.0	-44.30	293.09	2.60	-41.70
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679902	0	40	-1.0	-55.48	345.55	5.21	-50.27
CCN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C2CC2)=N1	REAL300007679903	0	39	-1.0	-48.43	342.35	4.39	-44.04
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=NSN=C2C=C1	REAL300007679904	0	33	-1.0	-64.83	298.97	2.98	-61.85
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CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C2CC2)=CC=C1Br	REAL300007679908	0	35	-1.0	-40.94	320.90	5.49	-35.45
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679909	0	42	-1.0	-52.59	342.93	4.42	-48.17
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679910	0	43	-1.0	-60.70	367.92	3.92	-56.78
O=C([O-])C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C1CC1	REAL300007679911	0	35	-1.0	-55.77	321.91	6.49	-49.28
CN1N=C2CCOCC2=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679912	0	37	-1.0	-48.76	314.97	1.36	-47.40
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COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679915	0	32	-1.0	-52.65	303.65	1.25	-51.40
COC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1C	REAL300007679916	0	35	-1.0	-51.62	309.24	1.01	-50.61
CC(C)CN1C=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=N1	REAL300007679917	0	38	-1.0	-57.09	330.07	3.70	-53.39
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679918	0	38	-1.0	-54.14	328.86	3.31	-50.83
O=C([O-])C(NS(=O)(=O)N1CCN(CC(F)F)CC1)C1CC1	REAL300007679919	0	39	-1.0	-57.87	315.71	0.85	-57.02
COCC1=CC(CS(=O)(=O)NC(C(=O)[O-])C2CC2)=NO1	REAL300007679920	0	35	-1.0	-45.21	313.68	1.44	-43.77
O=C([O-])C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C1CC1	REAL300007679921	0	34	-1.0	-41.31	315.00	5.80	-35.51
CC(C)(C)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)N=C1	REAL300007679922	0	40	-1.0	-50.25	334.63	4.46	-45.79
O=C([O-])C(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C1CC1	REAL300007679923	0	36	-1.0	-51.94	315.58	4.83	-47.11
O=C([O-])C(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C1CC1	REAL300007679924	0	31	-1.0	-44.04	284.37	3.49	-40.55
CC1=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=NN1C(C)C	REAL300007679925	0	38	-1.0	-58.22	324.14	3.39	-54.83
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C=C1	REAL300007679926	0	43	-1.0	-44.70	371.41	7.18	-37.52
O=C([O-])C(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C1CC1	REAL300007679927	0	34	-1.0	-54.69	296.29	4.77	-49.92
O=C([O-])C(NS(=O)(=O)N1CC=C(Br)CC1)C1CC1	REAL300007679928	0	32	-1.0	-39.40	296.35	3.42	-35.98
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679929	0	37	-1.0	-42.37	313.90	-0.67	-43.04
COC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C(C(F)F)=C1	REAL300007679930	0	36	-1.0	-57.70	310.74	3.55	-54.15
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679931	0	35	-1.0	-53.11	327.93	1.75	-51.36
O=C([O-])C(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C1CC1	REAL300007679932	0	34	-1.0	-47.83	303.00	4.16	-43.67
CCOC1=CC=CN=C1S(=O)(=O)NC(C(=O)[O-])C1CC1	REAL300007679933	0	35	-1.0	-49.81	305.86	2.89	-46.92
CC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C2CC2)C2=NC=CC=C12	REAL300007679934	0	37	-1.0	-54.14	320.43	4.85	-49.29
O=C([O-])C(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C1CC1	REAL300007679935	0	31	-1.0	-45.05	294.46	2.72	-42.33
O=C([O-])C(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C1CC1	REAL300007679936	0	36	-1.0	-53.91	333.27	4.54	-49.37
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C(=O)[O-])C2CC2)=C1	REAL300007679937	0	42	-1.0	-46.58	347.33	5.62	-40.96
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=CC=C1	REAL300007679938	0	39	-1.0	-59.55	347.85	6.01	-53.54
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=CC(F)=C1	REAL300007679939	0	39	-1.0	-54.48	354.26	6.08	-48.40
CC(=O)C1=CC=CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007679940	0	44	-1.0	-62.24	390.62	6.49	-55.75
CN(C)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679941	0	37	-1.0	-44.93	321.59	3.43	-41.50
CCCCN(C)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679942	0	46	-1.0	-45.95	386.37	5.85	-40.10
CCCCS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679943	0	41	-1.0	-45.90	350.15	5.39	-40.51
CCCS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679944	0	38	-1.0	-45.12	327.51	4.62	-40.50
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=CS1	REAL300007679945	0	36	-1.0	-47.71	336.67	5.18	-42.53
CC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])S1	REAL300007679946	0	39	-1.0	-47.58	356.27	5.96	-41.62
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C(Cl)S1	REAL300007679947	0	36	-1.0	-44.93	353.70	5.80	-39.13
COC1=CC=C(C)C=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679948	0	46	-1.0	-49.87	377.93	6.63	-43.24
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1CCOCC1	REAL300007679949	0	42	-1.0	-43.46	343.00	2.61	-40.85
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679950	0	42	-1.0	-44.21	373.54	7.52	-36.69
CN1C=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=N1	REAL300007679951	0	39	-1.0	-55.42	352.96	3.74	-51.68
CCN(CC)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679952	0	43	-1.0	-56.38	355.27	4.57	-51.81
CN(C1CCCCC1)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679953	0	50	-1.0	-57.85	383.37	5.58	-52.27
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679954	0	45	-1.0	-61.43	382.10	4.98	-56.45
CCC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300007679955	0	45	-1.0	-59.35	390.74	7.45	-51.90
CC1=NNC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679956	0	39	-1.0	-48.52	345.50	3.12	-45.40
CC1=CC(F)=CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007679957	0	42	-1.0	-60.14	375.48	6.76	-53.38
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CCC1CC1	REAL300007679958	0	42	-1.0	-45.49	359.10	6.19	-39.30
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007679959	0	45	-1.0	-50.81	390.09	6.67	-44.14
COCC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300007679960	0	46	-1.0	-59.87	402.92	5.74	-54.13
CCOC1=CC=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=N1	REAL300007679961	0	45	-1.0	-56.34	396.74	3.63	-52.71
CS(=O)(=O)CCCS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679962	0	44	-1.0	-53.17	391.14	2.18	-50.99
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007679963	0	44	-1.0	-61.37	388.49	6.40	-54.97
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CC1=NOC=C1	REAL300007679964	0	38	-1.0	-51.51	340.91	4.14	-47.37
CC1=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=NN1C	REAL300007679965	0	42	-1.0	-49.87	367.75	4.37	-45.50
CN(C1CCOCC1)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679966	0	48	-1.0	-56.56	383.63	3.71	-52.85
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)N1CC2CCC1C2	REAL300007679967	0	45	-1.0	-59.49	356.34	5.49	-54.00
CCN1N=C(C)C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1C	REAL300007679968	0	48	-1.0	-54.99	404.80	5.85	-49.14
CC(C)N1C=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=N1	REAL300007679969	0	45	-1.0	-55.23	389.04	4.94	-50.29
CC(C)CN1C=NC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007679970	0	48	-1.0	-55.65	409.25	7.15	-48.50
CC(C)N1C=NC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007679971	0	45	-1.0	-68.61	385.97	6.10	-62.51
CC(C)C1=NC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=CN1	REAL300007679972	0	45	-1.0	-54.76	386.25	4.58	-50.18
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CC1CCCOC1	REAL300007679973	0	46	-1.0	-46.09	377.07	4.88	-41.21
CC1=C(F)C=CC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679974	0	42	-1.0	-45.57	357.84	6.78	-38.79
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007679975	0	42	-1.0	-57.06	380.04	6.88	-50.18
COCCC(C)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679976	0	45	-1.0	-44.04	371.17	4.36	-39.68
COC1=CC=C(F)C=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679977	0	43	-1.0	-46.01	361.26	6.33	-39.68
CCC(C)CS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679978	0	44	-1.0	-57.52	366.75	5.89	-51.63
CCN(CC1CC1)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679979	0	47	-1.0	-47.42	395.61	6.49	-40.93
CCCN1C=NC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007679980	0	45	-1.0	-53.95	389.74	6.88	-47.07
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CCOCC1CC1	REAL300007679981	0	46	-1.0	-56.49	398.74	5.31	-51.18
COCC(C)CS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679982	0	45	-1.0	-57.81	381.46	4.34	-53.47
CCOCC(C)CS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679983	0	48	-1.0	-58.08	403.56	5.29	-52.79
CC(C)C1=CC=CC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679984	0	48	-1.0	-47.25	390.05	8.04	-39.21
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CCCN1CCOCC1	REAL300007679985	0	51	-1.0	-45.74	415.85	3.11	-42.63
CCOC1=CC=CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007679986	0	46	-1.0	-57.95	399.20	6.23	-51.72
COCCN1C=C(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=N1	REAL300007679987	0	46	-1.0	-59.66	408.44	3.63	-56.03
CC(C)(C)CCS(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679988	0	47	-1.0	-58.11	388.26	6.18	-51.93
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007679989	0	44	-1.0	-61.96	389.01	6.34	-55.62
CC1CCN(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C1	REAL300007679990	0	44	-1.0	-46.72	368.08	5.16	-41.56
COCC1=CC=CC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679991	0	46	-1.0	-47.79	385.31	6.14	-41.65
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007679992	0	42	-1.0	-53.58	377.96	4.60	-48.98
CSC1=CC=CC=C1S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679993	0	43	-1.0	-50.22	366.65	6.64	-43.58
CCC1=CC=CC(S(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300007679994	0	45	-1.0	-59.38	390.74	7.44	-51.94
CCC1=CC=C(CS(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300007679995	0	48	-1.0	-59.82	414.35	8.15	-51.67
O=C([O-])C(CC1=CNC2=CC=CC=C12)NS(=O)(=O)CCC1=CC=CS1	REAL300007679996	0	42	-1.0	-58.60	383.18	6.59	-52.01
CC1=CC=C(CS(=O)(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1C	REAL300007679997	0	48	-1.0	-49.32	404.35	8.07	-41.25
CC(C)CN(C)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679998	0	46	-1.0	-46.09	380.18	5.80	-40.29
CCN(C)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007679999	0	40	-1.0	-45.85	343.38	4.31	-41.54
CN(C1CCCC1)S(=O)(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007680000	0	47	-1.0	-56.35	374.94	5.76	-50.59
COC1=CC=C(F)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684425	0	35	-1.0	-49.79	298.07	3.44	-46.35
CC1=C(Br)C=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007684426	0	36	-1.0	-47.27	337.08	5.35	-41.92
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684427	0	42	-1.0	-53.56	361.19	3.67	-49.89
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C	REAL300007684428	0	42	-1.0	-53.73	363.02	0.49	-53.24
CC(CNS(=O)(=O)N1CCC2(CCCCC2)CC1)CC(=O)[O-]	REAL300007684429	0	49	-1.0	-46.47	359.45	5.23	-41.24
CC1=NC2=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=CC=C2C=C1	REAL300007684430	0	39	-1.0	-54.78	324.38	5.22	-49.56
CC(CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])CC(=O)[O-]	REAL300007684431	0	39	-1.0	-57.57	336.07	5.43	-52.14
CC(CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1)CC(=O)[O-]	REAL300007684432	0	42	-1.0	-49.82	349.49	2.08	-47.74
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684433	0	45	-1.0	-52.74	385.42	4.68	-48.06
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684434	0	45	-1.0	-51.28	379.08	4.77	-46.51
COCCOCCOCCS(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684435	0	45	-1.0	-53.65	379.63	0.85	-52.80
CC(CNS(=O)(=O)CC(C)COC1CCCC1)CC(=O)[O-]	REAL300007684436	0	47	-1.0	-49.78	373.15	4.90	-44.88
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)CC(=O)[O-]	REAL300007684437	0	46	-1.0	-52.42	386.50	4.95	-47.47
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684438	0	38	-1.0	-47.58	340.56	3.84	-43.74
CC(CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)CC(=O)[O-]	REAL300007684439	0	39	-1.0	-49.56	330.38	1.28	-48.28
COC1=CC(Br)=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684440	0	35	-1.0	-47.46	323.13	3.46	-44.00
CC(CNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)CC(=O)[O-]	REAL300007684441	0	35	-1.0	-48.16	307.83	3.71	-44.45
COC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007684442	0	37	-1.0	-50.61	326.68	4.28	-46.33
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684443	0	37	-1.0	-46.25	325.83	5.43	-40.82
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684444	0	37	-1.0	-48.73	325.81	5.35	-43.38
CC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300007684445	0	37	-1.0	-47.20	325.59	5.04	-42.16
CC(CNS(=O)(=O)CCCN1CCOCC1)CC(=O)[O-]	REAL300007684446	0	43	-1.0	-50.95	346.02	0.51	-50.44
CCOC1=CC=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684447	0	38	-1.0	-49.87	322.52	3.75	-46.12
COCCN1C=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=N1	REAL300007684448	0	38	-1.0	-50.37	332.08	1.15	-49.22
CC(CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)CC(=O)[O-]	REAL300007684449	0	38	-1.0	-52.66	336.71	4.08	-48.58
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1C	REAL300007684450	0	58	-1.0	-49.00	459.66	8.15	-40.85
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1F	REAL300007684451	0	45	-1.0	-51.58	382.22	1.46	-50.12
CC(CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)CC(=O)[O-]	REAL300007684452	0	39	-1.0	-55.43	344.63	5.72	-49.71
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2N=C1)CC(=O)[O-]	REAL300007684453	0	36	-1.0	-51.33	312.35	3.90	-47.43
CC(CNS(=O)(=O)CC1=CC=CC(Br)=C1)CC(=O)[O-]	REAL300007684454	0	34	-1.0	-50.62	317.39	4.87	-45.75
CC(CNS(=O)(=O)CC1=CC=CC=C1Br)CC(=O)[O-]	REAL300007684455	0	34	-1.0	-51.22	311.69	4.82	-46.40
CC(CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)CC(=O)[O-]	REAL300007684456	0	38	-1.0	-61.12	336.96	1.40	-59.72
CC1=CC(Br)=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684457	0	34	-1.0	-47.07	315.05	4.82	-42.25
CC1=C(Br)C=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684458	0	34	-1.0	-47.47	304.63	4.84	-42.63
COCC1=CC=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684459	0	38	-1.0	-47.62	318.83	3.67	-43.95
COC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC=C1Br	REAL300007684460	0	35	-1.0	-47.85	321.08	3.50	-44.35
COC1=CC(OC)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1Cl	REAL300007684461	0	39	-1.0	-50.12	337.22	3.25	-46.87
CC(CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)CC(=O)[O-]	REAL300007684462	0	34	-1.0	-53.39	316.29	2.59	-50.80
CC(CNS(=O)(=O)C1=CN(CC(F)F)N=C1)CC(=O)[O-]	REAL300007684463	0	34	-1.0	-52.52	310.26	2.42	-50.10
CC(CNS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)CC(=O)[O-]	REAL300007684464	0	42	-1.0	-48.30	349.80	4.79	-43.51
CC(CNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)CC(=O)[O-]	REAL300007684465	0	34	-1.0	-51.25	306.33	2.53	-48.72
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684466	0	42	-1.0	-52.32	338.59	1.55	-50.77
CC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1I	REAL300007684467	0	34	-1.0	-48.26	316.51	5.17	-43.09
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684468	0	43	-1.0	-54.56	376.00	2.75	-51.81
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684469	0	48	-1.0	-53.57	407.94	3.25	-50.32
CSC1=CC=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684470	0	35	-1.0	-49.67	296.68	3.72	-45.95
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684471	0	48	-1.0	-56.93	415.24	2.05	-54.88
CC(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)CC(=O)[O-]	REAL300007684472	0	39	-1.0	-53.12	350.11	0.31	-52.81
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])S1	REAL300007684473	0	45	-1.0	-56.14	406.46	1.16	-54.98
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(OC)=C1	REAL300007684474	0	46	-1.0	-54.63	387.65	1.01	-53.62
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(F)=C1	REAL300007684475	0	45	-1.0	-56.11	387.08	1.69	-54.42
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684476	0	45	-1.0	-52.45	391.47	1.33	-51.12
CC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)CC(=O)[O-]	REAL300007684477	0	42	-1.0	-59.13	353.28	3.51	-55.62
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1F	REAL300007684478	0	45	-1.0	-52.00	393.08	1.99	-50.01
CC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)CC(=O)[O-]	REAL300007684479	0	46	-1.0	-59.71	378.72	4.65	-55.06
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1F	REAL300007684480	0	42	-1.0	-52.22	371.58	1.20	-51.02
CC(CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)CC(=O)[O-]	REAL300007684481	0	46	-1.0	-52.06	384.91	3.97	-48.09
CC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)CC(=O)[O-]	REAL300007684482	0	43	-1.0	-53.59	343.36	2.44	-51.15
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684483	0	40	-1.0	-55.91	353.32	1.95	-53.96
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684484	0	41	-1.0	-57.88	352.37	0.89	-56.99
CCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1Br	REAL300007684485	0	38	-1.0	-48.80	342.92	4.43	-44.37
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007684486	0	45	-1.0	-50.62	379.33	6.59	-44.03
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)CC(=O)[O-]	REAL300007684487	0	35	-1.0	-47.96	318.15	4.16	-43.80
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)CC(=O)[O-]	REAL300007684488	0	37	-1.0	-49.83	352.80	1.66	-48.17
COC1=CC=C(Br)C(CS(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684489	0	38	-1.0	-52.06	341.10	4.12	-47.94
CC(CNS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)CC(=O)[O-]	REAL300007684490	0	45	-1.0	-48.89	385.34	5.49	-43.40
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684491	0	38	-1.0	-49.43	331.13	4.55	-44.88
CC(C)N1N=CC2=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC=C21	REAL300007684492	0	43	-1.0	-50.17	363.06	5.07	-45.10
CCS(=O)(=O)NCCS(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684493	0	38	-1.0	-57.37	336.18	-1.71	-59.08
CC1=C(S(=O)(=O)NCC(C)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007684494	0	37	-1.0	-48.95	324.92	4.80	-44.15
CC(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)CC(=O)[O-]	REAL300007684495	0	34	-1.0	-47.27	327.97	5.47	-41.80
CC1=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007684496	0	37	-1.0	-48.06	334.99	6.28	-41.78
CC(CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)CC(=O)[O-]	REAL300007684497	0	34	-1.0	-49.20	313.91	4.93	-44.27
CC(CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)CC(=O)[O-]	REAL300007684498	0	37	-1.0	-51.88	328.90	6.40	-45.48
CC(CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)CC(=O)[O-]	REAL300007684499	0	37	-1.0	-49.32	333.35	5.33	-43.99
CC(CNS(=O)(=O)CCC1=CC=C2OCCC2=C1)CC(=O)[O-]	REAL300007684500	0	42	-1.0	-52.92	352.30	4.88	-48.04
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)CC(=O)[O-]	REAL300007684501	0	45	-1.0	-49.63	377.83	6.91	-42.72
CC(CNS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)CC(=O)[O-]	REAL300007684502	0	44	-1.0	-54.26	379.76	5.11	-49.15
CC(CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)CC(=O)[O-]	REAL300007684503	0	42	-1.0	-56.37	372.34	0.60	-55.77
CC1=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007684504	0	40	-1.0	-48.81	342.22	6.52	-42.29
CC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1N(C)C	REAL300007684505	0	42	-1.0	-48.32	345.76	4.18	-44.14
CC(CNS(=O)(=O)CCC1=CC=CC=C1Br)CC(=O)[O-]	REAL300007684506	0	37	-1.0	-51.11	332.60	5.48	-45.63
CC(CNS(=O)(=O)C1=C2OCCCN2N=C1)CC(=O)[O-]	REAL300007684507	0	36	-1.0	-51.28	305.19	0.48	-50.80
CC(CNS(=O)(=O)CCOCC1CCCC1)CC(=O)[O-]	REAL300007684508	0	44	-1.0	-48.70	357.08	4.00	-44.70
COC1=CC(C)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1Cl	REAL300007684509	0	38	-1.0	-49.37	332.26	4.17	-45.20
CC(CNS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)CC(=O)[O-]	REAL300007684510	0	40	-1.0	-60.79	356.78	1.76	-59.03
CSC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1Cl	REAL300007684511	0	35	-1.0	-48.64	326.36	5.00	-43.64
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684512	0	43	-1.0	-49.04	346.16	4.01	-45.03
CC(CNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)CC(=O)[O-]	REAL300007684513	0	39	-1.0	-51.35	343.49	2.09	-49.26
CCC1=NOC2=NC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C12	REAL300007684514	0	38	-1.0	-51.36	333.57	1.25	-50.11
CC(CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)CC(=O)[O-]	REAL300007684515	0	42	-1.0	-50.48	368.87	3.36	-47.12
CC(CNS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)CC(=O)[O-]	REAL300007684516	0	36	-1.0	-50.77	316.68	2.67	-48.10
CC(CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)CC(=O)[O-]	REAL300007684517	0	37	-1.0	-48.55	338.35	6.41	-42.14
CCC1=CC(CC)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(CC)=C1	REAL300007684518	0	49	-1.0	-47.26	370.88	8.27	-38.99
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684519	1	46	-1.0	-52.75	392.33	0.81	-51.94
CC(CNS(=O)(=O)C1=CN2CCCCC2=N1)CC(=O)[O-]	REAL300007684520	0	38	-1.0	-53.96	318.11	3.57	-50.39
CC(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)CC(=O)[O-]	REAL300007684521	0	37	-1.0	-47.99	340.94	1.63	-46.36
CC(CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)CC(=O)[O-]	REAL300007684522	0	40	-1.0	-55.08	338.93	7.32	-47.76
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(C)=C1F	REAL300007684523	0	38	-1.0	-49.45	320.33	3.77	-45.68
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)CC(=O)[O-]	REAL300007684524	0	40	-1.0	-49.69	333.20	4.96	-44.73
CC(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)CC(=O)[O-]	REAL300007684526	0	39	-1.0	-50.00	340.59	4.79	-45.21
COCC1=CC(Cl)=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684527	0	38	-1.0	-47.89	344.13	3.77	-44.12
CC1=CC=C(CS(=O)(=O)NCC(C)CC(=O)[O-])C(F)=C1	REAL300007684528	0	37	-1.0	-52.76	321.64	4.96	-47.80
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)CC(=O)[O-]	REAL300007684530	0	31	-1.0	-47.20	303.72	3.72	-43.48
CC(CNS(=O)(=O)CCC1CC2=CC=CC=C2C1)CC(=O)[O-]	REAL300007684531	0	44	-1.0	-52.39	359.90	6.83	-45.56
CC(CNS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)CC(=O)[O-]	REAL300007684532	0	42	-1.0	-53.59	353.03	4.26	-49.33
CC(CNS(=O)(=O)CC1CCCS(=O)(=O)C1)CC(=O)[O-]	REAL300007684533	0	40	-1.0	-58.45	333.47	0.72	-57.73
CC(CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)CC(=O)[O-]	REAL300007684534	0	34	-1.0	-49.04	307.32	3.98	-45.06
CC1=C(CCS(=O)(=O)NCC(C)CC(=O)[O-])SC=N1	REAL300007684535	0	36	-1.0	-51.83	319.93	2.77	-49.06
COC1=CC=C2C=C(S(=O)(=O)NCC(C)CC(=O)[O-])CCC2=C1	REAL300007684536	0	43	-1.0	-48.99	356.26	5.24	-43.75
CC(CNS(=O)(=O)CC12CCC(CC1)CC2)CC(=O)[O-]	REAL300007684537	0	44	-1.0	-49.97	328.57	5.56	-44.41
CC(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)CC(=O)[O-]	REAL300007684538	0	42	-1.0	-58.75	345.58	0.65	-58.10
CC(CNS(=O)(=O)CC1CCCCC1(F)F)CC(=O)[O-]	REAL300007684539	0	40	-1.0	-49.62	324.20	4.69	-44.93
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C12	REAL300007684540	0	46	-1.0	-53.32	395.75	6.79	-46.53
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C12	REAL300007684541	0	50	-1.0	-50.89	413.84	4.31	-46.58
CCC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007684542	0	39	-1.0	-52.28	333.57	5.35	-46.93
CC(CNS(=O)(=O)C1=CC=C(Br)C=C1)CC(=O)[O-]	REAL300007684543	0	31	-1.0	-46.47	293.62	4.17	-42.30
CC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)CC(=O)[O-]	REAL300007684544	0	33	-1.0	-48.29	300.56	4.21	-44.08
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)CC(=O)[O-]	REAL300007684545	0	37	-1.0	-49.78	317.11	5.81	-43.97
CC(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)CC(=O)[O-]	REAL300007684546	0	33	-1.0	-51.41	299.38	4.20	-47.21
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684547	0	36	-1.0	-51.90	314.09	5.10	-46.80
CC(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])CC(=O)[O-]	REAL300007684548	0	33	-1.0	-55.18	289.71	5.03	-50.15
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684549	0	38	-1.0	-49.08	334.82	4.91	-44.17
CCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684550	0	38	-1.0	-48.00	323.68	3.76	-44.24
CC1=CC(C)=C(C)C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1C	REAL300007684551	0	43	-1.0	-47.44	331.72	6.11	-41.33
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684552	0	46	-1.0	-48.56	362.07	6.75	-41.81
CC(CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)CC(=O)[O-]	REAL300007684553	0	34	-1.0	-48.62	310.23	4.54	-44.08
CC(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)CC(=O)[O-]	REAL300007684554	0	34	-1.0	-50.14	297.36	5.11	-45.03
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007684555	0	37	-1.0	-54.49	326.67	4.27	-50.22
CC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)CC(=O)[O-]	REAL300007684556	0	43	-1.0	-47.35	348.54	5.86	-41.49
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684557	0	48	-1.0	-52.21	409.09	3.25	-48.96
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)CC(=O)[O-]	REAL300007684558	0	42	-1.0	-52.58	367.83	1.55	-51.03
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1Br	REAL300007684559	0	35	-1.0	-49.08	321.06	3.50	-45.58
CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)CC(=O)[O-]	REAL300007684560	0	37	-1.0	-45.98	350.13	5.55	-40.43
CC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC=C1Br	REAL300007684561	0	34	-1.0	-47.18	310.66	4.72	-42.46
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C2)=C1	REAL300007684562	0	45	-1.0	-48.81	382.43	7.07	-41.74
CC(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)CC(=O)[O-]	REAL300007684563	0	35	-1.0	-46.60	318.31	3.34	-43.26
CC1=C(C)C(C)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(C)=C1C	REAL300007684564	0	46	-1.0	-48.02	345.02	6.55	-41.47
CC(CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)CC(=O)[O-]	REAL300007684565	0	40	-1.0	-50.14	333.98	3.47	-46.67
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684566	0	47	-1.0	-50.23	367.79	5.67	-44.56
CC(CNS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)CC(=O)[O-]	REAL300007684567	0	38	-1.0	-50.42	347.77	5.92	-44.50
CC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007684568	0	36	-1.0	-51.28	315.38	4.72	-46.56
COC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684569	0	35	-1.0	-49.28	312.96	3.99	-45.29
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684570	0	49	-1.0	-47.01	373.47	7.34	-39.67
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)CC(=O)[O-]	REAL300007684571	0	34	-1.0	-46.84	311.08	4.53	-42.31
CC(CNS(=O)(=O)C1=CC=C2CCCCC2=C1)CC(=O)[O-]	REAL300007684572	0	41	-1.0	-48.64	333.87	6.02	-42.62
COC1=CC=C(OC)C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684573	0	39	-1.0	-51.69	321.13	2.65	-49.04
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1OC	REAL300007684574	0	39	-1.0	-50.44	329.89	2.74	-47.70
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2CC1)CC(=O)[O-]	REAL300007684575	0	39	-1.0	-48.16	326.81	5.94	-42.22
CC(C)CCC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684576	0	46	-1.0	-47.46	375.80	7.05	-40.41
CCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1OCC	REAL300007684577	0	45	-1.0	-50.11	373.60	4.58	-45.53
CC(CNS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)CC(=O)[O-]	REAL300007684578	0	36	-1.0	-53.84	326.57	-1.51	-55.35
CC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007684579	0	39	-1.0	-50.07	336.74	5.38	-44.69
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1C	REAL300007684580	0	39	-1.0	-49.89	332.31	5.65	-44.24
CC1=CC2=CC=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C2N=C1	REAL300007684581	0	39	-1.0	-54.26	324.73	5.30	-48.96
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007684582	0	37	-1.0	-53.27	319.17	4.33	-48.94
COC1=CC(Cl)=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684583	0	35	-1.0	-47.54	309.58	3.89	-43.65
CC(CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)CC(=O)[O-]	REAL300007684584	0	36	-1.0	-55.24	325.34	-1.51	-56.75
CC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)CC(=O)[O-]	REAL300007684585	0	43	-1.0	-54.42	380.17	1.37	-53.05
CC(CNS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)CC(=O)[O-]	REAL300007684586	0	39	-1.0	-50.48	338.95	5.12	-45.36
CC(CNS(=O)(=O)N1CCC2=CC=CC=C2C1)CC(=O)[O-]	REAL300007684587	0	40	-1.0	-48.08	323.80	4.69	-43.39
CC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=CC=CN=C12	REAL300007684588	0	39	-1.0	-50.59	327.38	4.81	-45.78
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C	REAL300007684589	0	39	-1.0	-53.42	327.61	6.24	-47.18
CC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)CC(=O)[O-]	REAL300007684590	0	42	-1.0	-54.00	366.66	1.53	-52.47
CC(CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)CC(=O)[O-]	REAL300007684591	0	43	-1.0	-58.47	357.09	2.87	-55.60
CC(CNS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)CC(=O)[O-]	REAL300007684592	0	37	-1.0	-56.66	331.85	1.05	-55.61
CC(CNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)CC(=O)[O-]	REAL300007684593	0	41	-1.0	-47.72	325.81	6.60	-41.12
CC(CNS(=O)(=O)C1=CC=CC2=CC=CC=C21)CC(=O)[O-]	REAL300007684594	0	37	-1.0	-50.91	312.21	5.89	-45.02
CC(CNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)CC(=O)[O-]	REAL300007684595	0	41	-1.0	-49.02	346.52	6.95	-42.07
CC(CNS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)CC(=O)[O-]	REAL300007684596	0	45	-1.0	-49.42	365.55	5.74	-43.68
CC(CNS(=O)(=O)C1=CC=CC2=NSN=C21)CC(=O)[O-]	REAL300007684597	0	32	-1.0	-51.89	290.68	1.93	-49.96
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684598	0	35	-1.0	-49.39	308.40	3.89	-45.50
CCC(C)(C)C1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684599	0	46	-1.0	-47.31	362.77	6.33	-40.98
CC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1Cl	REAL300007684600	0	34	-1.0	-48.43	306.63	4.64	-43.79
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684601	0	41	-1.0	-47.91	341.59	4.39	-43.52
CC(CNS(=O)(=O)CC1=CC=CC(Cl)=C1)CC(=O)[O-]	REAL300007684602	0	34	-1.0	-50.64	312.83	4.76	-45.88
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])CC(=O)[O-]	REAL300007684603	0	36	-1.0	-50.88	328.61	6.02	-44.86
CC(CNS(=O)(=O)C1=CC=CC2=CC=CN=C21)CC(=O)[O-]	REAL300007684604	0	36	-1.0	-54.71	303.37	4.66	-50.05
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)CC(=O)[O-]	REAL300007684605	0	42	-1.0	-50.14	377.84	6.93	-43.21
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684606	0	37	-1.0	-48.12	321.07	4.04	-44.08
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1F	REAL300007684607	0	35	-1.0	-49.88	306.87	2.90	-46.98
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)CC(=O)[O-]	REAL300007684608	0	42	-1.0	-47.74	377.72	6.91	-40.83
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C2)C=C1	REAL300007684609	0	46	-1.0	-49.14	390.50	5.69	-43.45
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(C(C)C)=C1	REAL300007684610	0	58	-1.0	-46.70	429.42	9.39	-37.31
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=CC=CC=C12	REAL300007684611	0	47	-1.0	-50.17	380.28	6.80	-43.37
CC(CNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)CC(=O)[O-]	REAL300007684612	0	34	-1.0	-50.63	328.01	5.22	-45.41
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=CC=CC=C12	REAL300007684613	0	41	-1.0	-50.63	340.53	5.24	-45.39
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007684614	0	47	-1.0	-54.02	390.84	1.20	-52.82
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684615	0	36	-1.0	-47.31	315.31	5.10	-42.21
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684616	0	36	-1.0	-50.21	309.14	4.86	-45.35
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684617	0	39	-1.0	-51.48	331.03	5.98	-45.50
CC(C)CC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684618	0	43	-1.0	-47.49	353.49	6.22	-41.27
COCCC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684619	0	41	-1.0	-48.36	348.89	4.06	-44.30
COCCN(CCOC)S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684620	0	43	-1.0	-47.51	344.82	0.75	-46.76
CC1=CC=C(Cl)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684621	0	34	-1.0	-48.12	303.48	4.85	-43.27
COC1=C(C)C=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C	REAL300007684622	0	41	-1.0	-48.03	345.92	4.42	-43.61
CC(C)CCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684623	0	47	-1.0	-47.86	384.26	5.87	-41.99
CC(CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)CC(=O)[O-]	REAL300007684624	0	45	-1.0	-47.53	366.98	5.76	-41.77
CC(C)COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684625	0	44	-1.0	-47.96	365.30	5.26	-42.70
CCCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684626	0	41	-1.0	-47.96	345.20	4.56	-43.40
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1Cl	REAL300007684627	0	35	-1.0	-49.13	316.68	3.39	-45.74
CC(CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)CC(=O)[O-]	REAL300007684628	0	35	-1.0	-49.65	326.43	3.66	-45.99
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C	REAL300007684629	0	38	-1.0	-49.14	320.73	3.57	-45.57
CC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC=C1OC(C)C	REAL300007684630	0	44	-1.0	-48.77	360.50	5.12	-43.65
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(C)=C1	REAL300007684631	0	38	-1.0	-48.02	316.55	3.74	-44.28
COCCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684632	0	42	-1.0	-50.51	357.32	3.03	-47.48
CC1=CC(Br)=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684633	0	34	-1.0	-46.02	308.38	5.05	-40.97
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1C	REAL300007684634	0	39	-1.0	-53.98	322.34	6.28	-47.70
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684635	0	40	-1.0	-57.39	346.57	1.96	-55.43
CC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)CC(=O)[O-]	REAL300007684636	0	43	-1.0	-52.65	381.36	1.38	-51.27
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684637	0	39	-1.0	-53.06	348.94	-0.29	-53.35
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684638	0	39	-1.0	-51.91	309.09	0.83	-51.08
CC(CNS(=O)(=O)C1=CSC2=CC=CC=C12)CC(=O)[O-]	REAL300007684639	0	34	-1.0	-48.49	297.13	4.41	-44.08
COC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC=C1F	REAL300007684640	0	35	-1.0	-48.58	306.89	2.90	-45.68
CC(CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300007684641	0	41	-1.0	-50.38	345.36	6.94	-43.44
CC(CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)CC(=O)[O-]	REAL300007684642	0	34	-1.0	-49.57	329.57	5.25	-44.32
CC1=NC(C2=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])S2)=CS1	REAL300007684643	0	37	-1.0	-49.88	350.60	4.09	-45.79
CC(CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)CC(=O)[O-]	REAL300007684644	0	51	-1.0	-47.69	406.90	7.16	-40.53
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684645	0	39	-1.0	-53.32	325.90	5.32	-48.00
CNC(=O)C1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CN1C	REAL300007684646	0	39	-1.0	-52.94	335.04	1.18	-51.76
COC1=CC(C)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(C)=C1	REAL300007684647	0	41	-1.0	-47.99	326.72	4.32	-43.67
CC(CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)CC(=O)[O-]	REAL300007684648	0	42	-1.0	-49.49	356.54	7.66	-41.83
COC1=CC(C)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C	REAL300007684649	0	41	-1.0	-48.89	336.31	4.35	-44.54
CC1=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300007684650	0	39	-1.0	-49.45	317.09	4.72	-44.73
CC(CNS(=O)(=O)C1=CC=CC2=CN=CC=C21)CC(=O)[O-]	REAL300007684651	0	36	-1.0	-52.13	307.45	4.08	-48.05
CC(CNS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)CC(=O)[O-]	REAL300007684652	0	44	-1.0	-51.93	372.16	7.37	-44.56
CCN1C=C(S(=O)(=O)NCC(C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007684653	0	36	-1.0	-55.60	322.37	4.42	-51.18
CC(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)CC(=O)[O-]	REAL300007684654	0	38	-1.0	-49.61	343.25	4.23	-45.38
CC(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)CC(=O)[O-]	REAL300007684655	0	45	-1.0	-49.24	383.59	6.82	-42.42
CCC(=O)C1=CC=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684656	0	39	-1.0	-55.24	334.24	4.80	-50.44
CC(CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)CC(=O)[O-]	REAL300007684657	0	41	-1.0	-51.05	358.32	5.09	-45.96
CC(C)CCN(CCC(C)C)S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684658	0	53	-1.0	-47.45	405.72	6.37	-41.08
CC(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)CC(=O)[O-]	REAL300007684659	0	39	-1.0	-55.11	349.42	0.16	-54.95
CC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)CC(=O)[O-]	REAL300007684660	0	46	-1.0	-54.82	393.08	2.66	-52.16
CCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=CC=CC=C12	REAL300007684661	0	44	-1.0	-50.26	362.31	6.16	-44.10
CCOC1=CC=C(C)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684662	0	41	-1.0	-50.47	334.94	4.95	-45.52
CC(CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)CC(=O)[O-]	REAL300007684663	0	36	-1.0	-58.95	319.43	3.71	-55.24
CC(CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)CC(=O)[O-]	REAL300007684664	0	38	-1.0	-51.40	332.90	4.66	-46.74
CCOCCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684665	0	45	-1.0	-50.54	379.18	4.00	-46.54
CCCCCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684666	0	47	-1.0	-47.87	388.19	6.12	-41.75
CC(CNS(=O)(=O)C1=CC=CC2=C1CCCC2)CC(=O)[O-]	REAL300007684667	0	41	-1.0	-47.81	328.05	6.24	-41.57
CC(CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)CC(=O)[O-]	REAL300007684668	0	37	-1.0	-52.13	319.53	5.36	-46.77
CC(CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)CC(=O)[O-]	REAL300007684669	0	35	-1.0	-46.84	328.70	5.01	-41.83
CC(CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)CC(=O)[O-]	REAL300007684670	0	39	-1.0	-56.67	334.79	4.80	-51.87
CC(CNS(=O)(=O)C1CCS(=O)(=O)CC1)CC(=O)[O-]	REAL300007684671	0	37	-1.0	-58.00	316.36	0.00	-58.00
CC(CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)CC(=O)[O-]	REAL300007684672	0	36	-1.0	-54.30	320.61	3.72	-50.58
CCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(C)=C1	REAL300007684673	0	41	-1.0	-47.82	338.45	4.67	-43.15
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684674	0	39	-1.0	-54.73	347.78	-0.31	-55.04
CC(CNS(=O)(=O)C1=CC=CC=C1OC(F)F)CC(=O)[O-]	REAL300007684675	0	35	-1.0	-49.56	302.62	3.64	-45.92
CSC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684676	0	35	-1.0	-47.87	312.52	4.57	-43.30
CC(CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)CC(=O)[O-]	REAL300007684677	0	37	-1.0	-51.48	335.15	5.27	-46.21
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684678	0	42	-1.0	-50.17	341.06	5.31	-44.86
CC(CNS(=O)(=O)C1=CC=CC2=C1OCCO2)CC(=O)[O-]	REAL300007684679	0	37	-1.0	-50.66	305.59	3.09	-47.57
CC(CNS(=O)(=O)C1=CC=CC2=NC=CC=C21)CC(=O)[O-]	REAL300007684680	0	36	-1.0	-50.54	307.25	3.98	-46.56
CC(CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)CC(=O)[O-]	REAL300007684681	0	43	-1.0	-50.62	366.06	5.52	-45.10
CC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C(F)(F)F	REAL300007684682	0	37	-1.0	-49.01	325.58	5.05	-43.96
CC(CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)CC(=O)[O-]	REAL300007684683	0	37	-1.0	-49.63	345.16	4.27	-45.36
CC(CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)CC(=O)[O-]	REAL300007684684	0	40	-1.0	-51.46	335.96	5.13	-46.33
CC1=NN(C)C2=NC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C12	REAL300007684685	0	39	-1.0	-50.60	338.65	3.26	-47.34
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684686	0	38	-1.0	-52.31	339.81	4.14	-48.17
COCC1=CC=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684687	0	38	-1.0	-50.05	326.22	3.25	-46.80
CC(CNS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)CC(=O)[O-]	REAL300007684688	0	42	-1.0	-50.90	343.57	4.81	-46.09
CC(CNS(=O)(=O)CC1=CC=CC=C1Cl)CC(=O)[O-]	REAL300007684689	0	34	-1.0	-51.54	308.48	4.69	-46.85
CC(CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)CC(=O)[O-]	REAL300007684690	0	43	-1.0	-61.26	368.93	2.04	-59.22
CC(CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)CC(=O)[O-]	REAL300007684691	0	38	-1.0	-51.81	340.90	4.05	-47.76
COC1=CC(OC)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1Br	REAL300007684692	0	39	-1.0	-50.09	341.61	3.36	-46.73
CC(CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)CC(=O)[O-]	REAL300007684693	0	39	-1.0	-52.40	333.01	4.17	-48.23
CC(CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)CC(=O)[O-]	REAL300007684694	0	34	-1.0	-50.93	321.82	5.15	-45.78
CC(CNS(=O)(=O)C1=CC=C2OC(C)CC2=C1)CC(=O)[O-]	REAL300007684695	0	39	-1.0	-48.66	329.39	4.14	-44.52
CCC1=CC=CC(CC)=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684696	0	43	-1.0	-47.06	328.17	6.70	-40.36
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684697	0	43	-1.0	-52.88	360.30	2.55	-50.33
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)CC(=O)[O-]	REAL300007684698	0	42	-1.0	-49.29	377.73	6.90	-42.39
CC(CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)CC(=O)[O-]	REAL300007684699	0	37	-1.0	-51.06	338.76	4.20	-46.86
CC(CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)CC(=O)[O-]	REAL300007684700	0	37	-1.0	-49.34	355.48	4.73	-44.61
CC1=NC(C2=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C2)=CO1	REAL300007684701	0	40	-1.0	-52.43	348.73	2.61	-49.82
CC(CNS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)CC(=O)[O-]	REAL300007684702	0	34	-1.0	-52.01	311.87	2.49	-49.52
CC(CNS(=O)(=O)C1=CC=C2OCOC2=C1)CC(=O)[O-]	REAL300007684703	0	34	-1.0	-49.37	298.38	2.20	-47.17
CC(CNS(=O)(=O)C1=CC=C2OCCCC2=C1)CC(=O)[O-]	REAL300007684704	0	39	-1.0	-49.37	324.86	4.16	-45.21
CC1=CC=C(N2C=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=N2)C=C1	REAL300007684705	0	41	-1.0	-50.78	354.30	5.32	-45.46
CC(CNS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)CC(=O)[O-]	REAL300007684706	0	39	-1.0	-48.83	344.93	4.64	-44.19
CC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007684707	0	36	-1.0	-48.57	315.38	4.70	-43.87
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=N1	REAL300007684708	0	42	-1.0	-54.12	360.07	4.29	-49.83
CC(CNS(=O)(=O)C1=CN=C2C=CSC2=C1)CC(=O)[O-]	REAL300007684709	0	33	-1.0	-49.46	304.33	3.02	-46.44
CC(CNS(=O)(=O)C1=CC=C(N(C)C)C=C1)CC(=O)[O-]	REAL300007684710	0	39	-1.0	-49.05	323.43	3.93	-45.12
CC1=CC2=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C2C=C1	REAL300007684711	0	40	-1.0	-49.70	338.45	6.46	-43.24
CC(CNS(=O)(=O)C1=CC=CC(N(C)C)=C1)CC(=O)[O-]	REAL300007684712	0	39	-1.0	-49.53	323.67	3.94	-45.59
CC(CNS(=O)(=O)CC1=NOC2=CC=CC=C21)CC(=O)[O-]	REAL300007684713	0	36	-1.0	-56.49	318.26	3.60	-52.89
CC(CNS(=O)(=O)CCC1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300007684714	0	37	-1.0	-51.09	333.14	5.56	-45.53
CC(CNS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)CC(=O)[O-]	REAL300007684715	0	43	-1.0	-49.65	345.37	4.08	-45.57
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)CC(=O)[O-]	REAL300007684716	0	33	-1.0	-48.19	307.07	2.76	-45.43
COC1=CC=CC(OC)=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684717	0	39	-1.0	-53.93	325.14	4.04	-49.89
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684718	0	39	-1.0	-48.70	331.34	5.58	-43.12
CC1=CC=C(C)C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1[N+](=O)[O-]	REAL300007684719	0	39	-1.0	-55.06	327.32	6.51	-48.55
CC1=CC(C)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007684720	0	39	-1.0	-52.21	329.79	5.63	-46.58
COC1=CC=C(CCS(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684721	0	41	-1.0	-52.26	345.91	4.34	-47.92
CC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)S1)CC(=O)[O-]	REAL300007684722	0	40	-1.0	-48.15	344.14	5.18	-42.97
COC1=CC(OC)=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684723	0	39	-1.0	-50.09	331.31	2.14	-47.95
CC1=CC2=C(C=C1S(=O)(=O)NCC(C)CC(=O)[O-])OCO2	REAL300007684724	0	37	-1.0	-48.65	313.03	3.11	-45.54
COC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC=C1Cl	REAL300007684725	0	35	-1.0	-47.95	316.69	3.39	-44.56
CC(CNS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)CC(=O)[O-]	REAL300007684726	0	37	-1.0	-54.68	320.61	4.88	-49.80
CC1=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007684727	0	39	-1.0	-55.35	319.56	5.06	-50.29
CC1=NC2=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C2O1	REAL300007684728	0	36	-1.0	-50.85	315.98	1.20	-49.65
CCC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1CC	REAL300007684729	0	43	-1.0	-48.43	348.22	6.09	-42.34
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684730	0	39	-1.0	-46.59	322.07	5.55	-41.04
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684731	0	41	-1.0	-50.15	331.31	5.10	-45.05
CC(CNS(=O)(=O)C1=CC(Cl)=CN=C1N)CC(=O)[O-]	REAL300007684732	0	32	-1.0	-47.30	293.37	1.41	-45.89
CC(CNS(=O)(=O)C1=CC=C(N(C)C)N=C1)CC(=O)[O-]	REAL300007684733	0	38	-1.0	-49.89	321.01	3.31	-46.58
CC(CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)CC(=O)[O-]	REAL300007684734	0	37	-1.0	-51.89	302.79	4.72	-47.17
CC(CNS(=O)(=O)C1=CC=CC2=C1OCO2)CC(=O)[O-]	REAL300007684735	0	34	-1.0	-50.28	292.67	2.10	-48.18
CC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC(C)=C1F	REAL300007684736	0	37	-1.0	-46.75	319.36	4.88	-41.87
CC(CNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)CC(=O)[O-]	REAL300007684737	0	38	-1.0	-53.75	327.15	3.29	-50.46
CC(CNS(=O)(=O)CCCOCC1=CC=CC=C1)CC(=O)[O-]	REAL300007684738	0	44	-1.0	-52.33	373.12	5.10	-47.23
CC(CNS(=O)(=O)C1=CNC2=CC=CC(F)=C21)CC(=O)[O-]	REAL300007684739	0	35	-1.0	-55.17	309.57	3.59	-51.58
CC(CNS(=O)(=O)C1=C2N=CSC2=CC=C1)CC(=O)[O-]	REAL300007684740	0	33	-1.0	-52.05	296.67	3.30	-48.75
CC(CNS(=O)(=O)CC1=CC=C(Cl)C=C1)CC(=O)[O-]	REAL300007684741	0	34	-1.0	-51.40	311.64	4.77	-46.63
CC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC=C1Cl	REAL300007684742	0	34	-1.0	-47.24	306.63	4.63	-42.61
CC(CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)CC(=O)[O-]	REAL300007684743	0	37	-1.0	-54.51	320.45	4.52	-49.99
CC1=CSC(C2=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C2)=N1	REAL300007684744	0	40	-1.0	-49.57	358.57	5.01	-44.56
CC(CNS(=O)(=O)C1=CC=CC2=C1OCCC2)CC(=O)[O-]	REAL300007684745	0	39	-1.0	-50.96	314.51	4.72	-46.24
CC(CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)CC(=O)[O-]	REAL300007684746	0	38	-1.0	-55.40	337.45	1.40	-54.00
CC(CNS(=O)(=O)C1=CC=CC2=C1OCCCO2)CC(=O)[O-]	REAL300007684747	0	40	-1.0	-50.94	332.92	3.88	-47.06
CC(CNS(=O)(=O)CC1=CC(F)=CC=C1Cl)CC(=O)[O-]	REAL300007684748	0	34	-1.0	-50.82	314.78	4.77	-46.05
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684749	0	56	-1.0	-47.69	452.69	8.47	-39.22
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684750	0	41	-1.0	-48.89	356.32	5.71	-43.18
CCC(C)OC1=CC=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684751	0	44	-1.0	-49.74	361.19	5.19	-44.55
COC(CS(=O)(=O)NCC(C)CC(=O)[O-])C1CCCC1	REAL300007684752	0	44	-1.0	-50.33	348.51	3.87	-46.46
COC(CS(=O)(=O)NCC(C)CC(=O)[O-])C1CCCCC1	REAL300007684753	0	47	-1.0	-50.85	362.84	4.57	-46.28
CC(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)CC(=O)[O-]	REAL300007684754	0	45	-1.0	-50.95	388.63	6.88	-44.07
CCCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C(C)C	REAL300007684755	0	50	-1.0	-48.25	402.62	6.58	-41.67
CCC1=NC(S(=O)(=O)NCC(C)CC(=O)[O-])=CN1CC1CC1	REAL300007684756	0	44	-1.0	-52.94	364.37	5.47	-47.47
CC(CNS(=O)(=O)C1=CN=C(C2CC2)S1)CC(=O)[O-]	REAL300007684757	0	34	-1.0	-48.10	310.90	3.04	-45.06
CC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007684758	0	39	-1.0	-50.09	334.25	5.99	-44.10
CC(CNS(=O)(=O)C1=C(C2CC2)C=NN1C)CC(=O)[O-]	REAL300007684759	0	38	-1.0	-47.01	318.90	3.42	-43.59
CC(CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007684760	0	44	-1.0	-47.98	373.30	5.87	-42.11
CC(CNS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)CC(=O)[O-]	REAL300007684761	0	34	-1.0	-47.28	312.77	2.15	-45.13
CC(CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300007684762	0	42	-1.0	-50.38	371.78	7.63	-42.75
CC(CNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)CC(=O)[O-]	REAL300007684763	0	41	-1.0	-51.37	338.50	6.94	-44.43
CC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007684764	0	51	-1.0	-49.08	427.68	8.44	-40.64
CCC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C(C)C=C1OC	REAL300007684765	0	44	-1.0	-48.99	356.98	5.21	-43.78
CC(CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)CC(=O)[O-]	REAL300007684766	0	37	-1.0	-46.63	343.55	5.41	-41.22
CC(CNS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])CC(=O)[O-]	REAL300007684767	1	33	-1.0	-55.65	298.25	2.53	-53.12
CC1=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300007684768	0	40	-1.0	-50.14	321.89	6.59	-43.55
CC(C)OC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=N1	REAL300007684769	0	40	-1.0	-47.87	341.51	2.09	-45.78
COC1=C(F)C=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684770	0	35	-1.0	-49.09	295.79	3.65	-45.44
CCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C(C)C	REAL300007684771	0	47	-1.0	-48.54	381.12	5.78	-42.76
CC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)CC(=O)[O-]	REAL300007684772	0	43	-1.0	-48.38	349.38	5.78	-42.60
CC(CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)CC(=O)[O-]	REAL300007684773	0	50	-1.0	-51.33	396.77	8.06	-43.27
CC(CNS(=O)(=O)C1=C2CCCCC2=NN1C)CC(=O)[O-]	REAL300007684774	0	41	-1.0	-47.55	331.31	3.57	-43.98
CC(CNS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)CC(=O)[O-]	REAL300007684775	0	43	-1.0	-50.08	343.02	3.83	-46.25
CC(CNS(=O)(=O)C1=CN(C2CCCC2)N=C1)CC(=O)[O-]	REAL300007684776	0	41	-1.0	-49.34	339.73	3.89	-45.45
CC(CNS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)CC(=O)[O-]	REAL300007684777	0	34	-1.0	-46.71	298.57	2.13	-44.58
COC1=CC=C(F)C=C1CS(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684778	0	38	-1.0	-52.75	329.49	3.69	-49.06
C=CCCC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684779	0	41	-1.0	-47.71	349.54	6.32	-41.39
CCCCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C(C)C	REAL300007684780	0	53	-1.0	-48.11	424.11	7.36	-40.75
CC(CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1)CC(=O)[O-]	REAL300007684781	0	35	-1.0	-49.10	319.79	5.23	-43.87
CCCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C(C)(C)C	REAL300007684782	0	53	-1.0	-48.25	415.17	7.25	-41.00
CCCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1CC	REAL300007684783	0	47	-1.0	-48.23	385.70	6.04	-42.19
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684784	0	37	-1.0	-45.82	313.99	5.53	-40.29
CC1=CC(Br)=CC=C1CS(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684785	0	37	-1.0	-50.83	332.00	5.45	-45.38
CC(CNS(=O)(=O)C=CC1=CC=CC=C1Cl)CC(=O)[O-]	REAL300007684786	0	35	-1.0	-50.14	317.30	5.14	-45.00
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684787	0	47	-1.0	-50.05	386.88	6.30	-43.75
CC(CNS(=O)(=O)C1=CC=CC2=CC=NC=C21)CC(=O)[O-]	REAL300007684788	0	36	-1.0	-52.89	307.27	4.09	-48.80
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C2)C=C1	REAL300007684789	0	46	-1.0	-48.61	401.19	7.41	-41.20
CC(CNS(=O)(=O)C1=CN(C2CCC2)N=C1)CC(=O)[O-]	REAL300007684790	0	38	-1.0	-49.86	322.23	3.22	-46.64
CC(CNS(=O)(=O)C1=CC=NN1C1CCC1)CC(=O)[O-]	REAL300007684791	0	38	-1.0	-49.16	313.44	3.13	-46.03
CC(CNS(=O)(=O)C1=CC=NN1CC1CCC1)CC(=O)[O-]	REAL300007684792	0	41	-1.0	-47.79	332.00	3.89	-43.90
CC(CNS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)CC(=O)[O-]	REAL300007684793	0	42	-1.0	-50.35	343.25	1.58	-48.77
CC(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)CC(=O)[O-]	REAL300007684794	0	37	-1.0	-49.24	338.00	4.44	-44.80
CC(CNS(=O)(=O)C1=CN=C2CCCCN12)CC(=O)[O-]	REAL300007684795	0	38	-1.0	-49.30	313.29	3.50	-45.80
CCCCCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C(C)C	REAL300007684796	0	56	-1.0	-48.18	445.61	8.14	-40.04
COC1=CC(C(C)C)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C	REAL300007684797	0	47	-1.0	-49.02	374.57	5.65	-43.37
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684798	0	41	-1.0	-49.38	332.70	4.75	-44.63
CCOCCOC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C(C)C	REAL300007684799	0	54	-1.0	-50.72	436.60	6.00	-44.72
CC(CNS(=O)(=O)C1=CC=CC2=C1OC(C)C2)CC(=O)[O-]	REAL300007684800	0	39	-1.0	-50.73	317.23	3.96	-46.77
CC(CNS(=O)(=O)C1=CN=C(C(C)(C)C)S1)CC(=O)[O-]	REAL300007684801	0	39	-1.0	-47.80	339.83	3.20	-44.60
CC(CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)CC(=O)[O-]	REAL300007684802	0	37	-1.0	-50.69	324.82	4.16	-46.53
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684803	0	36	-1.0	-56.43	313.03	3.14	-53.29
CC(CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)CC(=O)[O-]	REAL300007684804	0	35	-1.0	-51.34	319.13	3.78	-47.56
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2S1)CC(=O)[O-]	REAL300007684805	0	34	-1.0	-49.16	311.18	4.96	-44.20
CC(CNS(=O)(=O)C1=CC(C2CC2)=NN1C)CC(=O)[O-]	REAL300007684806	0	38	-1.0	-47.92	322.08	3.30	-44.62
CC1=CC(C)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(C)=C1F	REAL300007684807	0	40	-1.0	-47.28	319.29	5.56	-41.72
COC1=CC=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1OC	REAL300007684808	0	39	-1.0	-50.49	318.80	3.34	-47.15
CC(CNS(=O)(=O)C1=CN(C)N=C1C1CCCC1)CC(=O)[O-]	REAL300007684809	0	44	-1.0	-49.88	345.04	3.77	-46.11
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684810	0	43	-1.0	-49.34	351.51	4.14	-45.20
CCCCN1C=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(C)=N1	REAL300007684811	0	43	-1.0	-49.91	362.49	4.23	-45.68
CC(CNS(=O)(=O)C1=CN(C)N=C1C1CC1)CC(=O)[O-]	REAL300007684812	0	38	-1.0	-50.85	314.79	2.91	-47.94
CC(CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1)CC(=O)[O-]	REAL300007684813	0	35	-1.0	-50.03	311.58	3.12	-46.91
CC(CNS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)CC(=O)[O-]	REAL300007684814	0	36	-1.0	-58.46	310.67	1.95	-56.51
CC1=CC(C)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1Br	REAL300007684815	0	37	-1.0	-48.36	325.34	5.62	-42.74
CC(CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)CC(=O)[O-]	REAL300007684816	0	37	-1.0	-48.44	339.36	4.67	-43.77
CC(CNS(=O)(=O)C1=CN(C)N=C1C1CCC1)CC(=O)[O-]	REAL300007684817	0	41	-1.0	-50.48	328.09	3.31	-47.17
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684818	0	49	-1.0	-48.52	385.31	7.54	-40.98
CC(CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)CC(=O)[O-]	REAL300007684819	0	37	-1.0	-48.50	342.37	5.41	-43.09
CC(CNS(=O)(=O)C1=CN(CC2CCC2)N=C1)CC(=O)[O-]	REAL300007684820	0	41	-1.0	-50.31	346.31	4.17	-46.14
CC(CNS(=O)(=O)C1=C(C2CC2)C=CS1)CC(=O)[O-]	REAL300007684821	0	35	-1.0	-49.24	302.73	4.51	-44.73
CC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)CC(=O)[O-]	REAL300007684822	0	42	-1.0	-49.71	360.88	6.35	-43.36
COC1=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007684823	0	40	-1.0	-59.17	336.58	4.75	-54.42
CC(CNS(=O)(=O)C1=C2CCCC2=NN1C)CC(=O)[O-]	REAL300007684824	0	38	-1.0	-48.62	317.03	3.09	-45.53
CC(CNS(=O)(=O)C1=CC=NN1C(C)(C)C)CC(=O)[O-]	REAL300007684825	0	40	-1.0	-47.88	320.98	3.20	-44.68
CC(CNS(=O)(=O)C1=CN(C(C)(C)C)N=C1)CC(=O)[O-]	REAL300007684826	0	40	-1.0	-49.73	336.83	3.24	-46.49
CC(CNS(=O)(=O)C1=CNN=C1C1CCC1)CC(=O)[O-]	REAL300007684827	0	38	-1.0	-49.73	320.63	2.58	-47.15
CC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CN=C1C(F)(F)F	REAL300007684828	0	36	-1.0	-48.10	322.07	3.35	-44.75
CC(CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)CC(=O)[O-]	REAL300007684829	0	34	-1.0	-46.05	317.48	4.61	-41.44
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684830	0	42	-1.0	-54.96	355.74	5.56	-49.40
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1)CC(=O)[O-]	REAL300007684831	0	42	-1.0	-49.15	339.83	6.60	-42.55
CC(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)CC(=O)[O-]	REAL300007684832	0	37	-1.0	-48.60	333.57	4.57	-44.03
CC(CNS(=O)(=O)CC1=NOC2=C1COCC2)CC(=O)[O-]	REAL300007684833	0	38	-1.0	-54.69	324.20	1.89	-52.80
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684834	0	41	-1.0	-47.90	368.53	4.31	-43.59
CC(CNS(=O)(=O)C1=CSC=C1C(F)(F)F)CC(=O)[O-]	REAL300007684835	0	31	-1.0	-48.79	291.64	3.94	-44.85
CC(CNS(=O)(=O)C1=CC=NN1C1CCCC1)CC(=O)[O-]	REAL300007684836	0	41	-1.0	-47.78	337.37	3.96	-43.82
CCC(C)N1N=CC=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684837	0	40	-1.0	-47.24	332.28	3.43	-43.81
CC(CNS(=O)(=O)N(C)C1CCCCCC1)CC(=O)[O-]	REAL300007684838	0	45	-1.0	-46.92	342.98	4.54	-42.38
CC(CNS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)CC(=O)[O-]	REAL300007684839	0	45	-1.0	-50.33	370.80	2.66	-47.67
CC(CNS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)CC(=O)[O-]	REAL300007684840	0	37	-1.0	-49.40	324.37	5.06	-44.34
CC(CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1)CC(=O)[O-]	REAL300007684841	0	35	-1.0	-50.33	310.41	3.11	-47.22
CC(CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)CC(=O)[O-]	REAL300007684842	0	46	-1.0	-49.11	366.66	6.21	-42.90
CC1=CC(C)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=NC=CC=C12	REAL300007684843	0	42	-1.0	-55.40	342.60	5.88	-49.52
CC(CNS(=O)(=O)N1CCC(C(F)(F)F)CC1)CC(=O)[O-]	REAL300007684844	0	39	-1.0	-49.46	324.77	3.53	-45.93
CCOCC1=CC=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684845	0	41	-1.0	-50.06	348.07	4.22	-45.84
CC(CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)CC(=O)[O-]	REAL300007684846	0	34	-1.0	-48.60	331.61	5.54	-43.06
CC(CNS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)CC(=O)[O-]	REAL300007684847	0	41	-1.0	-49.53	350.83	4.71	-44.82
CC(CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1)CC(=O)[O-]	REAL300007684848	0	44	-1.0	-49.17	358.72	4.49	-44.68
CC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)CC(=O)[O-]	REAL300007684849	0	42	-1.0	-48.14	361.02	6.38	-41.76
CC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC(C)=C1Br	REAL300007684850	0	37	-1.0	-46.56	330.03	5.28	-41.28
CC(CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)CC(=O)[O-]	REAL300007684851	0	34	-1.0	-48.60	331.61	5.54	-43.06
CC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=CC=CC=C12	REAL300007684852	0	40	-1.0	-51.00	329.90	6.42	-44.58
CC(CNS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)CC(=O)[O-]	REAL300007684853	0	41	-1.0	-50.09	339.63	4.45	-45.64
CC(CNS(=O)(=O)C=CC1=CC=C(F)C=C1)CC(=O)[O-]	REAL300007684854	0	35	-1.0	-49.56	309.46	4.78	-44.78
CC(CNS(=O)(=O)C=CC1=CC=CC(Br)=C1)CC(=O)[O-]	REAL300007684855	0	35	-1.0	-49.10	324.35	5.32	-43.78
CC(CNS(=O)(=O)C=CC1=CC=C(Br)C=C1)CC(=O)[O-]	REAL300007684856	0	35	-1.0	-49.05	324.34	5.33	-43.72
CC(CNS(=O)(=O)CCC1NC(=O)NC1=O)CC(=O)[O-]	REAL300007684857	0	36	-1.0	-57.72	315.52	-2.51	-60.23
CC(CNS(=O)(=O)C1=CC=C2SC=NC2=C1)CC(=O)[O-]	REAL300007684858	0	33	-1.0	-50.48	303.29	2.93	-47.55
CC1=NC(S(=O)(=O)NCC(C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007684859	0	40	-1.0	-51.97	346.19	2.73	-49.24
CC(CNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)CC(=O)[O-]	REAL300007684860	0	48	-1.0	-48.67	349.33	6.43	-42.24
CC(CNS(=O)(=O)CC(C)(C)C(C)(F)F)CC(=O)[O-]	REAL300007684861	0	39	-1.0	-48.58	311.33	4.00	-44.58
CC(CNS(=O)(=O)CCCCS(C)(=O)=O)CC(=O)[O-]	REAL300007684862	0	39	-1.0	-61.41	341.63	0.36	-61.05
CC(CNS(=O)(=O)CC1CCC(C)(C)CO1)CC(=O)[O-]	REAL300007684863	0	44	-1.0	-52.16	345.42	3.90	-48.26
CC(CNS(=O)(=O)CC1=CC=CC2=NSN=C21)CC(=O)[O-]	REAL300007684864	0	35	-1.0	-56.03	319.13	2.58	-53.45
CC(CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)CC(=O)[O-]	REAL300007684865	0	41	-1.0	-52.21	355.64	6.44	-45.77
CC(CNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)CC(=O)[O-]	REAL300007684866	0	40	-1.0	-54.55	323.61	1.00	-53.55
CC(CNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)CC(=O)[O-]	REAL300007684867	0	44	-1.0	-48.68	339.67	5.52	-43.16
CC(CNS(=O)(=O)C1=CC=C(C2CC2)S1)CC(=O)[O-]	REAL300007684868	0	35	-1.0	-48.40	314.97	4.84	-43.56
CC(CNS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)CC(=O)[O-]	REAL300007684869	0	53	-1.0	-48.24	400.73	7.70	-40.54
COC1=CC=C(C=C(C)S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684870	0	42	-1.0	-49.57	344.48	4.41	-45.16
COC1=CSC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1OC	REAL300007684871	0	36	-1.0	-50.48	319.93	1.39	-49.09
CC(CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)CC(=O)[O-]	REAL300007684872	0	43	-1.0	-47.87	331.58	3.99	-43.88
CC(CNS(=O)(=O)N(C)CCC1=CC=CC=C1)CC(=O)[O-]	REAL300007684873	0	42	-1.0	-48.51	352.61	5.45	-43.06
CC(CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)CC(=O)[O-]	REAL300007684874	0	35	-1.0	-50.05	319.83	4.33	-45.72
COC1=CC(F)=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(F)=C1	REAL300007684875	0	35	-1.0	-49.67	309.14	3.10	-46.57
CC(CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)CC(=O)[O-]	REAL300007684876	0	35	-1.0	-50.87	316.64	3.18	-47.69
CC(CNS(=O)(=O)C1=C2C=CC=CC2=NN1C)CC(=O)[O-]	REAL300007684877	0	37	-1.0	-49.53	315.57	3.47	-46.06
CC(CNS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)CC(=O)[O-]	REAL300007684878	0	38	-1.0	-51.40	326.05	5.30	-46.10
CC(CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)CC(=O)[O-]	REAL300007684879	0	40	-1.0	-48.29	351.20	4.02	-44.27
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684880	0	44	-1.0	-50.73	363.36	5.95	-44.78
CC(CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300007684881	0	42	-1.0	-50.95	361.57	6.44	-44.51
CC(CNS(=O)(=O)C1=CC=CC=C1C(C)(F)F)CC(=O)[O-]	REAL300007684882	0	37	-1.0	-52.93	309.35	5.55	-47.38
CC(CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)CC(=O)[O-]	REAL300007684883	0	32	-1.0	-49.85	307.50	2.40	-47.45
C=C(C)COC1=CC=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684884	0	42	-1.0	-50.27	354.83	5.16	-45.11
CCN1C=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(C2CC2)=N1	REAL300007684885	0	41	-1.0	-50.70	336.31	3.77	-46.93
CC1=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=NSN=C2C=C1	REAL300007684886	0	35	-1.0	-52.48	310.35	2.92	-49.56
CC(CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)CC(=O)[O-]	REAL300007684887	0	37	-1.0	-48.65	333.79	6.31	-42.34
CC(CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300007684888	0	41	-1.0	-47.74	363.26	7.47	-40.27
CC(CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1)CC(=O)[O-]	REAL300007684889	0	30	-1.0	-49.86	299.67	1.51	-48.35
CCC1=CC(S(=O)(=O)NCC(C)CC(=O)[O-])=CC=C1Br	REAL300007684890	0	37	-1.0	-46.95	330.20	5.40	-41.55
CC1=NN(C2CCCC2)C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684891	0	44	-1.0	-47.75	357.92	4.72	-43.03
COCCC1=CC=C(OC)C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684892	0	45	-1.0	-51.02	368.24	3.87	-47.15
CC(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)CC(=O)[O-]	REAL300007684893	0	37	-1.0	-50.23	318.50	5.84	-44.39
CC(CNS(=O)(=O)C1=C2COCCC2=NN1C)CC(=O)[O-]	REAL300007684894	0	39	-1.0	-48.49	322.98	1.22	-47.27
CC(CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)CC(=O)[O-]	REAL300007684895	0	37	-1.0	-49.11	337.17	3.36	-45.75
CC(CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)CC(=O)[O-]	REAL300007684896	0	46	-1.0	-48.54	374.22	3.92	-44.62
COC1=NC=C(Cl)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684897	0	34	-1.0	-47.65	306.24	1.22	-46.43
COC1=NC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1C	REAL300007684898	0	37	-1.0	-48.43	318.47	0.95	-47.48
CC(C)CN1C=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=N1	REAL300007684899	0	40	-1.0	-50.00	339.73	3.63	-46.37
CC1=NN(C(C)C)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684900	0	40	-1.0	-49.54	335.93	3.24	-46.30
CC(CNS(=O)(=O)N1CCN(CC(F)F)CC1)CC(=O)[O-]	REAL300007684901	0	41	-1.0	-49.65	333.38	1.31	-48.34
COCC1=CC(CS(=O)(=O)NCC(C)CC(=O)[O-])=NO1	REAL300007684902	0	37	-1.0	-54.86	325.50	1.42	-53.44
CC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)CC(=O)[O-]	REAL300007684903	0	36	-1.0	-49.96	324.17	5.78	-44.18
CC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)CC(=O)[O-]	REAL300007684904	0	42	-1.0	-49.80	340.81	4.12	-45.68
CC(CNS(=O)(=O)C1=CC=NN1CC1CC1)CC(=O)[O-]	REAL300007684905	0	38	-1.0	-47.18	320.91	3.70	-43.48
CC(CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)CC(=O)[O-]	REAL300007684906	0	38	-1.0	-48.58	327.57	4.80	-43.78
CC(CNS(=O)(=O)C1=CC=C(C(F)F)C=N1)CC(=O)[O-]	REAL300007684907	0	33	-1.0	-50.77	296.60	2.65	-48.12
CC1=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=NN1C(C)C	REAL300007684908	0	40	-1.0	-50.01	335.64	3.35	-46.66
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C=C1	REAL300007684909	0	45	-1.0	-48.87	381.16	7.10	-41.77
CC(CNS(=O)(=O)C1=NC=CC2=CC=CC=C21)CC(=O)[O-]	REAL300007684910	0	36	-1.0	-52.81	306.20	4.22	-48.59
CC(CNS(=O)(=O)N1CC=C(Br)CC1)CC(=O)[O-]	REAL300007684911	0	34	-1.0	-48.08	302.60	3.26	-44.82
CC(CNS(=O)(=O)N(C)C1CCS(=O)(=O)C1)CC(=O)[O-]	REAL300007684912	0	39	-1.0	-56.41	330.59	-0.65	-57.06
COC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C(C(F)F)=C1	REAL300007684913	0	38	-1.0	-48.54	323.96	4.19	-44.35
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684914	0	37	-1.0	-47.51	328.38	1.69	-45.82
CC(CNS(=O)(=O)C1=CC=NC2=CC=CC=C21)CC(=O)[O-]	REAL300007684915	0	36	-1.0	-50.09	307.74	3.97	-46.12
CCOC1=CC=CN=C1S(=O)(=O)NCC(C)CC(=O)[O-]	REAL300007684916	0	37	-1.0	-55.14	313.50	2.90	-52.24
CC1=CC=C(S(=O)(=O)NCC(C)CC(=O)[O-])C2=NC=CC=C12	REAL300007684917	0	39	-1.0	-54.46	321.11	5.19	-49.27
CC(CNS(=O)(=O)C1=CC(C(F)F)=CC=N1)CC(=O)[O-]	REAL300007684918	0	33	-1.0	-53.43	303.33	2.51	-50.92
CC(CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)CC(=O)[O-]	REAL300007684919	0	38	-1.0	-51.93	336.79	4.16	-47.77
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCC(C)CC(=O)[O-])=C1	REAL300007684920	0	44	-1.0	-50.41	347.77	5.36	-45.05
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2)C1	REAL300007684921	0	41	-1.0	-54.32	320.63	6.35	-47.97
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=CC(F)=C2)C1	REAL300007684922	0	41	-1.0	-55.77	329.56	6.54	-49.23
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=C1	REAL300007684923	0	46	-1.0	-50.33	360.71	6.78	-43.55
CCCCN(C)S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684924	0	48	-1.0	-53.27	365.31	6.09	-47.18
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=CS2)C1	REAL300007684925	0	38	-1.0	-52.25	312.53	5.36	-46.89
CCC(C)C1=CC=C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=C1	REAL300007684926	0	53	-1.0	-48.51	398.56	8.94	-39.57
CC1=CC=C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)S1	REAL300007684927	0	41	-1.0	-45.03	333.21	6.18	-38.85
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300007684928	0	38	-1.0	-54.07	332.14	6.10	-47.97
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684929	0	48	-1.0	-48.73	365.41	6.87	-41.86
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300007684930	0	45	-1.0	-51.66	359.55	6.71	-44.95
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)N2CCOCC2)C1	REAL300007684931	0	44	-1.0	-43.64	329.26	3.14	-40.50
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C1	REAL300007684932	0	47	-1.0	-63.78	384.30	3.96	-59.82
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300007684933	0	45	-1.0	-54.38	369.15	6.27	-48.11
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=C1OC	REAL300007684934	0	52	-1.0	-48.24	384.45	5.91	-42.33
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684935	0	44	-1.0	-52.16	341.10	7.17	-44.99
CN1C=C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=N1	REAL300007684936	0	41	-1.0	-50.08	325.17	4.08	-46.00
CCN(CC)S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684937	0	45	-1.0	-47.04	335.67	5.15	-41.89
CN(C1CCCCC1)S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684938	0	52	-1.0	-48.63	372.36	6.72	-41.91
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684939	0	47	-1.0	-52.17	355.71	5.35	-46.82
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007684940	0	57	-1.0	-57.00	425.45	10.25	-46.75
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300007684941	0	47	-1.0	-47.11	363.93	5.54	-41.57
CCC1=CC=C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=C1	REAL300007684942	0	47	-1.0	-56.89	366.48	7.88	-49.01
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300007684943	0	41	-1.0	-49.55	327.84	6.66	-42.89
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300007684944	0	41	-1.0	-55.65	344.45	7.10	-48.55
CC1=NNC=C1S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684945	0	41	-1.0	-52.79	314.82	3.20	-49.59
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684946	0	46	-1.0	-44.35	345.11	8.08	-36.27
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300007684947	0	47	-1.0	-60.69	385.11	8.47	-52.22
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684948	0	51	-1.0	-59.57	403.95	2.91	-56.66
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=C1	REAL300007684949	0	52	-1.0	-52.58	406.05	8.28	-44.30
CC1=CC(F)=CC(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=C1	REAL300007684950	0	44	-1.0	-56.86	348.44	7.09	-49.77
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)CCC2CC2)C1	REAL300007684951	0	44	-1.0	-51.55	336.84	6.43	-45.12
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300007684952	0	47	-1.0	-49.47	365.60	6.87	-42.60
COCC1=CC=C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=C1	REAL300007684953	0	48	-1.0	-49.80	374.95	6.08	-43.72
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=N1	REAL300007684954	0	47	-1.0	-54.15	369.67	3.98	-50.17
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)CCCS(C)(=O)=O)C1	REAL300007684955	0	46	-1.0	-58.60	371.07	2.42	-56.18
COC1=CC=C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C(C)=C1C	REAL300007684956	0	51	-1.0	-46.52	370.95	6.63	-39.89
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300007684957	0	46	-1.0	-59.71	361.59	6.76	-52.95
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)CC2=NOC=C2)C1	REAL300007684958	0	40	-1.0	-56.74	318.66	4.38	-52.36
CC1=C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=NN1C	REAL300007684959	0	44	-1.0	-61.08	331.84	4.28	-56.80
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1	REAL300007684960	0	51	-1.0	-53.64	392.77	2.05	-51.59
CN(C1CCOCC1)S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684961	0	50	-1.0	-51.22	364.73	4.28	-46.94
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)N2CC3CCC2C3)C1	REAL300007684962	0	47	-1.0	-50.09	342.20	5.74	-44.35
CC1=C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300007684963	0	50	-1.0	-55.07	387.55	7.41	-47.66
CCN1N=C(C)C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=C1C	REAL300007684964	0	50	-1.0	-47.65	372.37	6.08	-41.57
CC(C)N1C=C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)C=N1	REAL300007684965	0	47	-1.0	-50.55	365.38	5.46	-45.09
CC(C)CN1C=NC(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=C1	REAL300007684966	0	50	-1.0	-62.76	387.79	7.73	-55.03
CC(C)N1C=NC(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=C1	REAL300007684967	0	47	-1.0	-52.31	365.29	6.74	-45.57
CC(C)C1=NC(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=CN1	REAL300007684968	0	47	-1.0	-55.33	365.97	4.85	-50.48
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684969	0	53	-1.0	-55.84	368.57	9.05	-46.79
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=C1	REAL300007684970	0	49	-1.0	-52.18	385.49	5.80	-46.38
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)CC2CCCOC2)C1	REAL300007684971	0	48	-1.0	-55.35	357.39	5.18	-50.17
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684972	0	44	-1.0	-51.84	330.15	6.71	-45.13
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300007684973	0	47	-1.0	-49.77	371.33	9.17	-40.60
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300007684974	0	45	-1.0	-46.07	364.87	6.03	-40.04
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684975	0	56	-1.0	-51.22	418.35	7.81	-43.41
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300007684976	0	44	-1.0	-48.78	352.08	7.22	-41.56
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=C1	REAL300007684977	0	52	-1.0	-64.90	402.66	6.01	-58.89
COCCC(C)S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684978	0	47	-1.0	-43.57	351.34	4.77	-38.80
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684979	0	45	-1.0	-47.86	350.40	6.27	-41.59
CCC(C)CS(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684980	0	46	-1.0	-52.09	339.98	6.21	-45.88
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007684981	0	59	-1.0	-43.72	406.91	8.02	-35.70
CC1=NC2=C(S(=O)(=O)N3CCCC(C(C)(C)C(=O)[O-])C3)C=CC=C2C=C1	REAL300007684982	0	49	-1.0	-66.32	380.94	7.96	-58.36
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007684983	0	49	-1.0	-56.50	384.68	8.26	-48.24
CCN(CC1CC1)S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684984	0	49	-1.0	-56.62	374.36	7.00	-49.62
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007684985	0	52	-1.0	-56.84	397.80	4.92	-51.92
CCCN1C=NC(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=C1	REAL300007684986	0	47	-1.0	-62.22	370.54	7.22	-55.00
COCCOCCOCCS(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684987	0	55	-1.0	-58.00	429.15	3.67	-54.33
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)CCOCC2CC2)C1	REAL300007684988	0	48	-1.0	-49.96	370.96	5.69	-44.27
CC(COC1CCCC1)CS(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684989	0	57	-1.0	-48.44	422.65	7.76	-40.68
COCC(C)CS(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684990	0	47	-1.0	-55.44	357.64	4.77	-50.67
CCOCC(C)CS(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684991	0	50	-1.0	-53.06	376.55	5.64	-47.42
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007684992	0	49	-1.0	-53.21	380.05	4.17	-49.04
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007684993	0	45	-1.0	-47.19	360.15	6.54	-40.65
COC1=CC(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007684994	0	47	-1.0	-56.63	378.67	7.22	-49.41
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684995	0	47	-1.0	-48.14	364.29	7.72	-40.42
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684996	0	47	-1.0	-55.10	369.13	7.89	-47.21
CC1=CC(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007684997	0	47	-1.0	-43.36	373.82	7.90	-35.46
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(C)(C)C(=O)[O-])C1	REAL300007684998	0	50	-1.0	-56.08	368.51	8.31	-47.77
CC(C)(C(=O)[O-])C1CCCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300007684999	0	53	-1.0	-53.48	393.60	3.35	-50.13
CCOC1=CC=CC(S(=O)(=O)N2CCCC(C(C)(C)C(=O)[O-])C2)=C1	REAL300007685000	0	48	-1.0	-46.17	370.80	6.60	-39.57
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686193	0	36	-1.0	-58.81	290.42	5.46	-53.35
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686194	0	43	-1.0	-59.43	342.82	5.76	-53.67
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300007686195	0	43	-1.0	-55.23	350.70	2.78	-52.45
O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007686196	0	50	-1.0	-51.70	345.52	7.08	-44.62
CC1=NC2=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=CC=C2C=C1	REAL300007686197	0	40	-1.0	-62.34	315.61	7.24	-55.10
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007686198	0	40	-1.0	-55.30	327.51	7.62	-47.68
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007686199	0	43	-1.0	-56.33	337.21	4.11	-52.22
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686200	0	46	-1.0	-57.90	377.24	6.62	-51.28
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686201	0	46	-1.0	-57.82	366.83	6.61	-51.21
CCCN1C=NC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686202	0	38	-1.0	-55.37	311.54	6.20	-49.17
COCCOCCOCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686203	0	46	-1.0	-57.38	371.35	3.02	-54.36
CC(COC1CCCC1)CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686204	0	48	-1.0	-50.77	363.48	7.04	-43.73
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686205	0	39	-1.0	-52.38	329.12	5.98	-46.40
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007686206	0	40	-1.0	-55.48	318.80	3.37	-52.11
COC1=CC(Br)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686207	0	36	-1.0	-53.88	310.34	5.61	-48.27
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007686208	0	36	-1.0	-56.13	300.17	5.73	-50.40
COC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007686209	0	38	-1.0	-48.66	316.42	6.44	-42.22
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686210	0	38	-1.0	-51.04	302.10	6.79	-44.25
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686211	0	38	-1.0	-56.67	302.60	6.83	-49.84
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300007686212	0	38	-1.0	-49.78	313.98	7.21	-42.57
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686213	0	41	-1.0	-55.88	301.17	6.94	-48.94
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCCN1CCOCC1	REAL300007686214	0	44	-1.0	-52.61	336.62	2.70	-49.91
CCOC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686215	0	39	-1.0	-53.79	312.18	5.91	-47.88
COCCN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300007686216	0	39	-1.0	-49.31	320.27	3.22	-46.09
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007686217	0	39	-1.0	-60.59	325.24	6.23	-54.36
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1C	REAL300007686218	0	59	-1.0	-54.86	449.29	10.39	-44.47
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007686219	0	40	-1.0	-51.04	336.42	7.89	-43.15
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007686220	0	37	-1.0	-59.96	302.07	6.01	-53.95
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007686221	0	35	-1.0	-50.61	307.92	7.03	-43.58
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300007686222	0	35	-1.0	-51.99	296.67	6.78	-45.21
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007686223	0	39	-1.0	-78.92	325.50	3.55	-75.37
CC1=CC(Br)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686224	0	35	-1.0	-54.64	303.61	6.97	-47.67
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686225	0	35	-1.0	-50.56	281.53	6.29	-44.27
COCC1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686226	0	39	-1.0	-54.39	305.15	5.49	-48.90
COC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300007686227	0	36	-1.0	-50.44	310.82	5.67	-44.77
COC1=CC(OC)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300007686228	0	40	-1.0	-58.52	329.63	5.28	-53.24
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007686229	0	35	-1.0	-48.28	304.08	4.66	-43.62
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007686230	0	35	-1.0	-48.18	298.45	4.50	-43.68
CC1(C)CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300007686231	0	43	-1.0	-54.34	337.01	6.94	-47.40
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007686232	0	35	-1.0	-47.60	296.30	4.53	-43.07
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686233	0	43	-1.0	-54.06	332.57	3.97	-50.09
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686234	0	44	-1.0	-58.98	364.54	4.91	-54.07
CSC1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686235	0	36	-1.0	-57.00	285.63	6.03	-50.97
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300007686236	0	40	-1.0	-56.05	338.45	2.31	-53.74
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686237	0	46	-1.0	-56.64	380.02	3.47	-53.17
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686238	0	43	-1.0	-52.44	331.56	5.14	-47.30
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300007686239	0	43	-1.0	-55.01	359.92	3.20	-51.81
CCC1=CC=C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686240	0	41	-1.0	-54.69	329.53	7.86	-46.83
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1=CC=CS1	REAL300007686241	0	35	-1.0	-50.95	298.35	6.29	-44.66
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007686242	0	47	-1.0	-48.47	372.92	5.93	-42.54
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007686243	0	44	-1.0	-64.06	351.02	4.96	-59.10
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686244	0	41	-1.0	-63.78	343.07	4.11	-59.67
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686245	0	42	-1.0	-63.30	344.74	2.91	-60.39
CC1=CC=C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300007686246	0	41	-1.0	-55.63	325.08	7.64	-47.99
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Br	REAL300007686247	0	39	-1.0	-54.85	330.93	6.39	-48.46
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007686248	0	46	-1.0	-53.85	367.33	8.54	-45.31
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007686249	0	36	-1.0	-54.77	310.52	6.18	-48.59
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686250	0	39	-1.0	-56.56	332.88	6.28	-50.28
CC1(C)CN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CCO1	REAL300007686251	0	41	-1.0	-46.16	300.91	3.48	-42.68
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2S1	REAL300007686252	0	46	-1.0	-54.57	373.89	7.64	-46.93
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686253	0	39	-1.0	-57.73	323.60	6.59	-51.14
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300007686254	0	44	-1.0	-54.61	350.23	7.24	-47.37
CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686255	0	39	-1.0	-60.42	326.78	0.45	-59.97
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007686256	0	38	-1.0	-54.23	314.13	7.49	-46.74
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007686257	0	35	-1.0	-52.24	315.95	7.61	-44.63
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007686258	0	38	-1.0	-61.61	326.35	8.62	-52.99
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007686259	0	35	-1.0	-50.07	305.86	7.09	-42.98
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007686260	0	38	-1.0	-54.66	309.68	7.88	-46.78
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007686261	0	38	-1.0	-55.91	321.90	7.47	-48.44
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007686262	0	43	-1.0	-53.90	344.02	7.03	-46.87
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007686263	0	46	-1.0	-56.65	363.14	8.71	-47.94
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686264	0	45	-1.0	-60.21	367.79	7.23	-52.98
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007686265	0	43	-1.0	-58.92	362.92	2.77	-56.15
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007686266	0	41	-1.0	-61.81	329.84	8.75	-53.06
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1N(C)C	REAL300007686267	0	43	-1.0	-56.30	334.92	6.33	-49.97
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007686268	0	38	-1.0	-53.40	325.40	7.68	-45.72
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007686269	0	37	-1.0	-59.34	297.81	2.40	-56.94
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCOCC1CCCC1	REAL300007686270	0	45	-1.0	-50.87	348.13	6.17	-44.70
COC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300007686271	0	39	-1.0	-57.54	309.34	5.67	-51.87
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686272	0	41	-1.0	-67.85	347.32	3.93	-63.92
CSC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300007686273	0	36	-1.0	-56.29	316.10	7.16	-49.13
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686274	0	44	-1.0	-56.35	326.69	5.42	-50.93
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007686275	0	40	-1.0	-46.31	330.77	4.25	-42.06
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C12	REAL300007686276	0	39	-1.0	-45.23	320.86	3.40	-41.83
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007686277	0	43	-1.0	-53.45	357.42	5.46	-47.99
CN1N=CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CN=C21	REAL300007686278	0	37	-1.0	-50.74	305.22	4.81	-45.93
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007686279	0	38	-1.0	-53.77	328.14	8.49	-45.28
CCC1=CC(CC)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(CC)=C1	REAL300007686280	0	50	-1.0	-62.64	367.30	10.63	-52.01
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007686281	0	39	-1.0	-58.07	310.00	5.48	-52.59
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007686282	0	38	-1.0	-48.95	329.41	3.77	-45.18
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007686283	0	41	-1.0	-59.26	323.80	9.17	-50.09
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1F	REAL300007686284	0	39	-1.0	-50.04	298.63	5.23	-44.81
CC1(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CCCCC1	REAL300007686285	0	44	-1.0	-53.21	312.74	7.17	-46.04
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007686286	0	41	-1.0	-57.79	324.95	7.08	-50.71
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007686288	0	40	-1.0	-53.56	330.23	6.90	-46.66
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686289	0	39	-1.0	-52.16	331.35	5.93	-46.23
CC1=CC=C(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300007686290	0	38	-1.0	-53.15	313.38	7.14	-46.01
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007686292	0	32	-1.0	-49.01	293.71	5.97	-43.04
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007686293	0	45	-1.0	-52.13	351.51	8.98	-43.15
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=NO1	REAL300007686294	0	43	-1.0	-52.08	344.75	6.43	-45.65
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007686295	0	41	-1.0	-52.97	324.07	2.84	-50.13
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007686296	0	35	-1.0	-51.15	296.43	6.15	-45.00
CC1=C(CCS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])SC=N1	REAL300007686297	0	37	-1.0	-51.38	312.10	4.95	-46.43
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300007686298	0	42	-1.0	-54.33	311.56	7.08	-47.25
COC1=CC=C2C=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])CCC2=C1	REAL300007686299	0	44	-1.0	-55.52	345.20	7.43	-48.09
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300007686300	0	45	-1.0	-53.89	320.31	7.66	-46.23
CC(C)(CCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-])S(C)(=O)=O	REAL300007686301	0	43	-1.0	-58.58	336.10	2.81	-55.77
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007686302	0	41	-1.0	-53.00	316.14	6.82	-46.18
O=C([O-])[C@H]1CCCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007686303	0	39	-1.0	-55.10	313.77	7.72	-47.38
CCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007686304	0	40	-1.0	-62.83	322.87	7.40	-55.43
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007686305	0	32	-1.0	-50.47	277.10	6.17	-44.30
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007686306	0	32	-1.0	-50.43	281.66	6.27	-44.16
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007686307	0	34	-1.0	-48.27	288.62	6.32	-41.95
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007686308	0	38	-1.0	-57.88	305.58	7.98	-49.90
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007686309	0	34	-1.0	-62.59	288.02	6.38	-56.21
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686310	0	37	-1.0	-62.69	292.41	6.56	-56.13
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007686311	0	34	-1.0	-66.44	276.83	6.83	-59.61
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686312	0	39	-1.0	-57.17	325.97	6.88	-50.29
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686313	0	39	-1.0	-55.33	312.24	5.91	-49.42
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1C	REAL300007686314	0	44	-1.0	-53.24	325.13	8.33	-44.91
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300007686315	0	41	-1.0	-51.73	308.90	7.74	-43.99
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686316	0	47	-1.0	-57.44	340.41	8.21	-49.23
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007686317	0	35	-1.0	-56.50	299.89	6.70	-49.80
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007686318	0	35	-1.0	-57.21	285.05	6.71	-50.50
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007686319	0	32	-1.0	-50.06	277.58	6.21	-43.85
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686320	0	37	-1.0	-59.60	301.34	6.04	-53.56
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007686321	0	38	-1.0	-64.61	316.41	6.44	-58.17
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686322	0	44	-1.0	-54.96	336.58	7.97	-46.99
CC(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686323	0	41	-1.0	-54.89	320.63	7.58	-47.31
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686324	0	43	-1.0	-56.75	356.48	3.68	-53.07
CCCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686325	0	41	-1.0	-55.24	325.28	7.90	-47.34
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Br	REAL300007686326	0	36	-1.0	-56.34	310.80	5.66	-50.68
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300007686327	0	35	-1.0	-50.78	299.05	6.88	-43.90
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)=C1	REAL300007686328	0	46	-1.0	-54.31	371.28	9.18	-45.13
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007686329	0	36	-1.0	-48.43	306.36	5.44	-42.99
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300007686330	0	47	-1.0	-52.84	328.76	7.97	-44.87
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007686331	0	41	-1.0	-59.30	323.71	5.63	-53.67
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686332	0	48	-1.0	-59.40	360.24	7.71	-51.69
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007686333	0	37	-1.0	-62.92	304.13	6.84	-56.08
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686334	0	36	-1.0	-56.71	305.34	6.01	-50.70
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686335	0	50	-1.0	-51.85	363.70	9.39	-42.46
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007686336	0	35	-1.0	-49.99	299.61	6.68	-43.31
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007686337	0	42	-1.0	-55.72	322.29	8.18	-47.54
COC1=CC=C(OC)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686338	0	40	-1.0	-62.27	313.68	4.70	-57.57
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1OC	REAL300007686339	0	40	-1.0	-55.98	319.64	4.91	-51.07
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007686340	0	39	-1.0	-57.71	306.41	7.59	-50.12
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007686341	0	40	-1.0	-56.92	315.76	8.13	-48.79
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007686342	0	37	-1.0	-55.48	296.74	5.53	-49.95
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686343	0	47	-1.0	-55.16	364.35	9.19	-45.97
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1OCC	REAL300007686344	0	46	-1.0	-56.52	363.34	6.75	-49.77
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686345	0	37	-1.0	-57.12	314.59	0.61	-56.51
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007686346	0	40	-1.0	-46.77	321.79	7.31	-39.46
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1C	REAL300007686347	0	40	-1.0	-62.70	309.28	7.02	-55.68
CC1=CC2=CC=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=C2N=C1	REAL300007686348	0	40	-1.0	-60.63	317.22	7.23	-53.40
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007686349	0	38	-1.0	-62.50	309.27	6.13	-56.37
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686350	0	36	-1.0	-52.66	300.98	5.94	-46.72
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686351	0	37	-1.0	-64.56	315.09	0.66	-63.90
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007686352	0	44	-1.0	-54.12	369.89	3.53	-50.59
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686353	0	40	-1.0	-54.84	323.78	7.19	-47.65
O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007686354	0	41	-1.0	-50.67	313.01	6.85	-43.82
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CN=C12	REAL300007686355	0	40	-1.0	-58.78	313.52	6.78	-52.00
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300007686356	0	40	-1.0	-67.44	315.35	8.30	-59.14
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686357	0	43	-1.0	-64.39	355.64	3.74	-60.65
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007686358	0	44	-1.0	-53.27	346.21	4.97	-48.30
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686359	0	38	-1.0	-66.44	321.59	3.22	-63.22
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007686360	0	42	-1.0	-60.17	327.52	9.24	-50.93
CC1CC(C)CN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300007686361	0	43	-1.0	-42.18	305.93	5.18	-37.00
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007686362	0	38	-1.0	-61.17	298.25	7.80	-53.37
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007686363	0	42	-1.0	-56.51	335.08	9.10	-47.41
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686364	0	35	-1.0	-56.03	272.04	5.68	-50.35
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=CC=C12	REAL300007686365	0	46	-1.0	-59.16	351.95	7.68	-51.48
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007686366	0	33	-1.0	-52.26	283.74	3.95	-48.31
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686367	0	36	-1.0	-57.10	300.76	5.91	-51.19
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686368	0	47	-1.0	-55.08	351.32	8.47	-46.61
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300007686369	0	35	-1.0	-49.40	294.65	6.59	-42.81
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686370	0	42	-1.0	-52.85	329.37	6.47	-46.38
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007686371	0	35	-1.0	-50.62	303.35	6.93	-43.69
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007686372	0	33	-1.0	-48.04	276.27	4.32	-43.72
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007686373	0	37	-1.0	-56.70	318.58	7.83	-48.87
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007686374	0	37	-1.0	-61.28	295.52	6.59	-54.69
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007686375	0	43	-1.0	-55.75	366.27	8.99	-46.76
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686376	0	38	-1.0	-49.37	312.44	6.09	-43.28
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300007686377	0	36	-1.0	-58.64	296.61	5.06	-53.58
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300007686378	0	35	-1.0	-48.80	285.91	6.19	-42.61
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007686379	0	43	-1.0	-51.58	366.66	9.03	-42.55
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300007686380	0	47	-1.0	-53.29	379.43	7.80	-45.49
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C(C)C)=C1	REAL300007686381	0	59	-1.0	-60.19	424.71	11.76	-48.43
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007686382	0	48	-1.0	-60.62	367.88	8.78	-51.84
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007686383	0	35	-1.0	-48.10	318.59	7.40	-40.70
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007686384	0	42	-1.0	-60.49	326.62	7.15	-53.34
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686385	0	37	-1.0	-49.44	291.59	6.46	-42.98
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686386	0	37	-1.0	-46.40	286.10	6.26	-40.14
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686387	0	40	-1.0	-50.88	318.38	7.76	-43.12
CC(C)CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686388	0	44	-1.0	-54.91	341.56	8.34	-46.57
COCCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686389	0	42	-1.0	-54.91	337.45	6.19	-48.72
COCCN(CCOC)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686390	0	44	-1.0	-51.91	336.21	3.04	-48.87
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686391	0	35	-1.0	-55.92	280.50	6.34	-49.58
COC1=C(C)C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300007686392	0	42	-1.0	-54.39	334.02	6.56	-47.83
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686393	0	48	-1.0	-54.60	372.80	8.02	-46.58
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007686394	0	46	-1.0	-52.97	354.39	7.80	-45.17
CC(C)COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686395	0	45	-1.0	-54.89	353.84	7.41	-47.48
CCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686396	0	42	-1.0	-54.84	333.73	6.71	-48.13
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300007686397	0	36	-1.0	-56.58	306.41	5.55	-51.03
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007686398	0	36	-1.0	-53.11	314.45	5.62	-47.49
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300007686399	0	39	-1.0	-55.35	309.11	5.74	-49.61
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300007686400	0	45	-1.0	-55.21	349.32	7.34	-47.87
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300007686401	0	39	-1.0	-54.90	292.82	5.09	-49.81
COCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686402	0	43	-1.0	-58.06	345.86	5.19	-52.87
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300007686403	0	35	-1.0	-59.59	289.51	6.37	-53.22
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686404	0	35	-1.0	-51.35	285.09	6.45	-44.90
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1C	REAL300007686405	0	40	-1.0	-47.70	299.67	7.51	-40.19
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686406	0	41	-1.0	-68.23	324.90	3.42	-64.81
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007686407	0	44	-1.0	-56.66	369.41	3.50	-53.16
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686408	0	40	-1.0	-57.10	337.02	1.81	-55.29
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686409	0	40	-1.0	-63.46	318.63	3.36	-60.10
CC1=NC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300007686410	0	34	-1.0	-51.18	284.78	4.12	-47.06
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007686411	0	35	-1.0	-53.88	288.99	6.58	-47.30
COC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1F	REAL300007686412	0	36	-1.0	-50.94	296.63	5.07	-45.87
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007686413	0	42	-1.0	-61.17	335.09	9.11	-52.06
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007686414	0	35	-1.0	-49.86	320.23	7.42	-42.44
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])S2)=CS1	REAL300007686415	0	38	-1.0	-55.75	339.69	6.22	-49.53
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007686416	0	52	-1.0	-54.86	395.46	9.30	-45.56
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686417	0	40	-1.0	-61.86	317.18	7.24	-54.62
CNC(=O)C1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CN1C	REAL300007686418	0	40	-1.0	-55.48	324.77	3.30	-52.18
COC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300007686419	0	42	-1.0	-50.69	316.97	6.37	-44.32
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007686420	0	43	-1.0	-57.29	343.76	9.81	-47.48
COC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300007686421	0	42	-1.0	-56.95	313.29	5.87	-51.08
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007686422	0	40	-1.0	-52.30	295.85	5.86	-46.44
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007686423	0	37	-1.0	-54.53	288.02	5.59	-48.94
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-])=C2	REAL300007686424	0	45	-1.0	-64.49	360.71	9.53	-54.96
CCN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007686425	0	37	-1.0	-64.10	311.12	5.98	-58.12
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007686426	0	39	-1.0	-56.16	331.81	6.38	-49.78
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007686427	0	46	-1.0	-56.31	372.14	8.96	-47.35
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686428	0	40	-1.0	-70.79	322.87	6.98	-63.81
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007686429	0	42	-1.0	-50.72	346.49	7.17	-43.55
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007686430	0	35	-1.0	-79.04	290.74	4.83	-74.21
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686431	0	54	-1.0	-52.87	393.18	8.62	-44.25
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686432	0	40	-1.0	-54.94	334.20	2.28	-52.66
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007686433	0	35	-1.0	-50.49	293.04	6.49	-44.00
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007686434	0	45	-1.0	-60.22	348.47	8.08	-52.14
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686435	0	42	-1.0	-58.18	326.64	6.91	-51.27
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007686436	0	37	-1.0	-70.41	307.89	5.86	-64.55
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007686437	0	39	-1.0	-57.72	320.63	6.68	-51.04
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686438	0	46	-1.0	-58.01	367.71	6.15	-51.86
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686439	0	48	-1.0	-54.63	376.73	8.28	-46.35
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007686440	0	42	-1.0	-57.34	313.45	8.04	-49.30
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007686441	0	38	-1.0	-53.73	312.39	7.63	-46.10
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007686442	0	36	-1.0	-48.43	316.75	7.13	-41.30
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007686443	0	37	-1.0	-55.38	296.85	4.98	-50.40
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007686444	0	40	-1.0	-60.93	326.58	6.96	-53.97
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007686445	0	38	-1.0	-54.82	300.56	1.85	-52.97
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007686446	0	37	-1.0	-59.65	308.68	5.83	-53.82
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1	REAL300007686447	0	42	-1.0	-54.21	315.11	6.06	-48.15
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686448	0	40	-1.0	-64.91	337.51	1.87	-63.04
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007686449	0	36	-1.0	-55.87	293.90	5.67	-50.20
CSC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686450	0	36	-1.0	-54.98	300.57	6.67	-48.31
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007686451	0	38	-1.0	-49.94	325.42	7.42	-42.52
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686452	0	43	-1.0	-53.01	325.50	7.37	-45.64
CCN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])N=C1C	REAL300007686453	0	38	-1.0	-57.67	309.83	5.24	-52.43
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007686454	0	38	-1.0	-56.61	295.94	5.09	-51.52
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007686455	0	37	-1.0	-54.72	287.93	5.48	-49.24
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007686456	0	44	-1.0	-58.34	354.94	7.71	-50.63
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300007686457	0	38	-1.0	-48.81	313.98	7.22	-41.59
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007686458	0	38	-1.0	-51.18	335.86	6.12	-45.06
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007686459	0	41	-1.0	-60.34	325.72	7.28	-53.06
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C12	REAL300007686460	0	40	-1.0	-55.37	325.88	5.39	-49.98
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686461	0	39	-1.0	-56.35	331.59	6.31	-50.04
COCC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686462	0	39	-1.0	-58.45	315.90	5.41	-53.04
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=C2O1	REAL300007686463	0	43	-1.0	-58.21	336.42	6.84	-51.37
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007686464	0	35	-1.0	-53.52	294.40	6.67	-46.85
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007686465	0	44	-1.0	-63.88	358.37	4.29	-59.59
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007686466	0	39	-1.0	-52.05	332.64	6.21	-45.84
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007686467	0	40	-1.0	-63.84	321.72	6.12	-57.72
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007686468	0	35	-1.0	-51.79	307.92	7.12	-44.67
CC1CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C2O1	REAL300007686469	0	40	-1.0	-55.80	317.75	6.30	-49.50
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686470	0	44	-1.0	-61.18	325.09	9.31	-51.87
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686471	0	44	-1.0	-55.77	345.17	4.33	-51.44
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007686472	0	43	-1.0	-51.02	366.48	9.03	-41.99
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007686473	0	38	-1.0	-64.26	329.74	6.95	-57.31
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007686474	0	38	-1.0	-50.95	346.18	6.57	-44.38
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)=CO1	REAL300007686475	0	41	-1.0	-62.29	336.82	4.73	-57.56
CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007686476	0	35	-1.0	-47.10	285.07	3.97	-43.13
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007686477	0	35	-1.0	-54.52	290.02	6.07	-48.45
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007686478	0	35	-1.0	-57.36	286.94	4.35	-53.01
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300007686479	0	35	-1.0	-53.28	288.07	2.32	-50.96
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007686480	0	40	-1.0	-56.27	313.26	6.32	-49.95
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007686481	0	39	-1.0	-53.93	304.95	7.45	-46.48
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=N2)C=C1	REAL300007686482	0	42	-1.0	-52.83	342.49	7.41	-45.42
CC1CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300007686483	0	40	-1.0	-56.34	333.16	6.81	-49.53
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007686484	0	37	-1.0	-47.29	307.36	6.86	-40.43
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300007686485	0	43	-1.0	-62.36	347.80	6.32	-56.04
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007686486	0	34	-1.0	-53.58	292.80	5.18	-48.40
CN(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686487	0	40	-1.0	-56.60	311.74	5.96	-50.64
CC1=CC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2C=C1	REAL300007686488	0	41	-1.0	-57.28	328.34	8.52	-48.76
COC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])SC=C1	REAL300007686489	0	33	-1.0	-56.80	281.51	4.78	-52.02
CN(C)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686490	0	40	-1.0	-55.24	308.93	6.04	-49.20
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007686491	0	37	-1.0	-57.67	294.77	5.44	-52.23
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007686492	0	37	-1.0	-52.07	307.18	5.64	-46.43
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007686493	0	37	-1.0	-54.16	296.72	5.53	-48.63
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007686494	0	38	-1.0	-50.56	324.93	7.74	-42.82
CN1CCCC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C21	REAL300007686495	0	44	-1.0	-54.78	333.79	6.05	-48.73
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007686496	0	34	-1.0	-45.58	295.53	4.92	-40.66
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686497	0	40	-1.0	-61.96	314.12	6.17	-55.79
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686498	0	40	-1.0	-44.92	310.70	6.95	-37.97
CC1=CC=C(C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007686499	0	40	-1.0	-64.87	309.47	8.43	-56.44
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007686500	0	40	-1.0	-64.09	310.15	7.06	-57.03
COC1=CC=C(CCS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686501	0	42	-1.0	-53.62	337.70	6.52	-47.10
COC1=CN=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686502	0	35	-1.0	-54.52	284.22	3.17	-51.35
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300007686503	0	41	-1.0	-53.50	333.21	7.32	-46.18
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007686504	0	39	-1.0	-55.29	310.60	7.74	-47.55
COC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC(OC)=C1	REAL300007686505	0	40	-1.0	-58.49	319.83	4.29	-54.20
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1CCCCC1	REAL300007686506	0	44	-1.0	-51.54	328.97	7.38	-44.16
CC1=CC=C(CCS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686507	0	41	-1.0	-53.14	329.60	7.90	-45.24
CC1=CC2=C(C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-])OCO2	REAL300007686508	0	38	-1.0	-58.71	289.46	4.48	-54.23
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007686509	0	35	-1.0	-56.96	287.66	5.87	-51.09
COC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300007686510	0	36	-1.0	-50.61	306.43	5.56	-45.05
CN1C=NC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300007686511	0	38	-1.0	-58.26	307.79	7.05	-51.21
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007686512	0	40	-1.0	-59.42	302.38	7.25	-52.17
CC1=NC2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2O1	REAL300007686513	0	37	-1.0	-57.67	304.56	3.35	-54.32
CCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1CC	REAL300007686514	0	44	-1.0	-55.53	337.42	8.21	-47.32
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686515	0	40	-1.0	-45.52	315.72	7.73	-37.79
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686516	0	42	-1.0	-67.78	326.24	7.25	-60.53
CC1=C(C)SC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686517	0	35	-1.0	-54.18	293.42	6.13	-48.05
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686518	0	33	-1.0	-50.25	275.58	3.46	-46.79
CCC1=NC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300007686519	0	34	-1.0	-54.07	290.59	4.22	-49.85
CN(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300007686520	0	39	-1.0	-58.18	309.67	5.45	-52.73
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300007686521	0	35	-1.0	-55.19	289.49	6.33	-48.86
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007686522	0	38	-1.0	-66.54	307.99	6.92	-59.62
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007686523	0	35	-1.0	-53.38	285.93	4.20	-49.18
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC(C)=C1F	REAL300007686524	0	38	-1.0	-51.47	307.92	7.02	-44.45
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007686525	0	39	-1.0	-54.40	315.54	5.46	-48.94
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007686526	0	45	-1.0	-54.21	363.65	7.26	-46.95
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007686527	0	36	-1.0	-54.35	289.58	5.16	-49.19
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007686528	0	34	-1.0	-57.12	289.19	5.19	-51.93
CC1=NC(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CS1	REAL300007686529	0	34	-1.0	-53.27	293.19	4.10	-49.17
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007686530	0	35	-1.0	-51.18	303.37	6.94	-44.24
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1Cl	REAL300007686531	0	35	-1.0	-50.85	295.01	6.79	-44.06
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007686532	0	38	-1.0	-56.01	307.64	6.68	-49.33
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=C2)=N1	REAL300007686533	0	41	-1.0	-53.47	347.13	7.16	-46.31
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007686534	0	40	-1.0	-59.01	304.49	6.68	-52.33
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007686535	0	39	-1.0	-61.37	325.55	3.52	-57.85
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007686536	0	41	-1.0	-63.65	318.54	5.76	-57.89
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007686537	0	35	-1.0	-52.77	306.57	6.93	-45.84
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686538	0	57	-1.0	-54.63	441.23	10.62	-44.01
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686539	0	45	-1.0	-60.67	350.27	7.27	-53.40
COC(CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-])C1CCCC1	REAL300007686540	0	45	-1.0	-55.54	336.72	5.83	-49.71
COC(CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-])C1CCCCC1	REAL300007686541	0	48	-1.0	-51.13	355.97	6.54	-44.59
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007686542	0	46	-1.0	-59.42	378.37	9.04	-50.38
CCOC(CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-])C1CC1	REAL300007686543	0	42	-1.0	-56.24	326.74	6.02	-50.22
CCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300007686544	0	51	-1.0	-52.60	390.63	8.54	-44.06
CCC1=NC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CN1CC1CC1	REAL300007686545	0	45	-1.0	-59.11	358.32	7.24	-51.87
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007686546	0	35	-1.0	-54.32	300.03	5.12	-49.20
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007686547	0	40	-1.0	-47.17	312.53	7.38	-39.79
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686548	0	39	-1.0	-52.34	301.08	5.44	-46.90
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007686549	0	45	-1.0	-51.07	348.62	7.51	-43.56
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686550	0	35	-1.0	-49.68	301.89	4.22	-45.46
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007686551	0	43	-1.0	-58.57	360.66	9.72	-48.85
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007686552	0	42	-1.0	-60.02	317.21	8.45	-51.57
CCC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C(C)C=C1OC	REAL300007686553	0	45	-1.0	-57.10	334.64	6.60	-50.50
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007686554	0	38	-1.0	-49.76	332.11	7.56	-42.20
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=N1	REAL300007686555	0	34	-1.0	-59.95	284.75	4.67	-55.28
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007686556	0	41	-1.0	-54.90	300.74	7.58	-47.32
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300007686557	0	41	-1.0	-50.50	329.98	4.23	-46.27
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686558	0	36	-1.0	-59.11	293.77	5.30	-53.81
CCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300007686559	0	48	-1.0	-52.86	369.13	7.74	-45.12
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1F	REAL300007686560	0	44	-1.0	-48.80	337.40	7.75	-41.05
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007686561	0	51	-1.0	-54.58	388.49	10.23	-44.35
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686562	0	42	-1.0	-55.50	320.51	5.98	-49.52
CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007686563	0	44	-1.0	-55.87	330.26	5.68	-50.19
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007686564	0	42	-1.0	-56.57	327.54	5.92	-50.65
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686565	0	35	-1.0	-56.03	294.61	4.67	-51.36
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686566	0	39	-1.0	-57.53	321.27	5.86	-51.67
C=CCCC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686567	0	42	-1.0	-55.02	337.61	8.43	-46.59
CCC1=NN(C)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686568	0	38	-1.0	-57.15	304.57	4.49	-52.66
CCCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300007686569	0	54	-1.0	-52.44	412.13	9.33	-43.11
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007686570	0	36	-1.0	-49.77	309.74	7.27	-42.50
CCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300007686571	0	54	-1.0	-53.99	404.92	9.41	-44.58
CCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1CC	REAL300007686572	0	48	-1.0	-53.44	374.93	8.17	-45.27
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686573	0	38	-1.0	-47.45	304.23	7.58	-39.87
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686574	0	38	-1.0	-51.96	322.30	7.68	-44.28
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007686575	0	36	-1.0	-55.50	307.25	7.17	-48.33
CCCC1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686576	0	41	-1.0	-55.26	310.70	7.91	-47.35
COC1=NC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686577	0	35	-1.0	-53.11	282.10	2.80	-50.31
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686578	0	48	-1.0	-55.94	379.81	8.72	-47.22
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007686579	0	37	-1.0	-53.69	287.92	5.50	-48.19
CC1=CSC(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686580	0	35	-1.0	-55.03	285.28	6.50	-48.53
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007686581	0	39	-1.0	-51.03	310.39	5.30	-45.73
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007686582	0	39	-1.0	-53.07	309.39	5.19	-47.88
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007686583	0	42	-1.0	-48.89	324.55	6.14	-42.75
CC1(C)COC2=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=NN2C1	REAL300007686584	0	43	-1.0	-58.87	335.93	3.50	-55.37
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007686585	0	38	-1.0	-55.61	327.02	6.50	-49.11
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300007686586	0	39	-1.0	-59.84	299.95	5.51	-54.33
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300007686587	0	57	-1.0	-52.34	433.63	10.11	-42.23
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300007686588	0	48	-1.0	-53.51	348.74	6.89	-46.62
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686589	0	42	-1.0	-58.02	325.38	6.82	-51.20
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C(C)C	REAL300007686590	0	55	-1.0	-54.30	424.61	7.96	-46.34
CC1CC2=CC=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=C2O1	REAL300007686591	0	40	-1.0	-58.42	307.51	5.90	-52.52
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300007686592	0	40	-1.0	-54.36	328.83	5.25	-49.11
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007686593	0	38	-1.0	-55.55	306.88	6.03	-49.52
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686594	0	37	-1.0	-64.82	293.66	5.22	-59.60
O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007686595	0	41	-1.0	-55.22	306.02	5.77	-49.45
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007686596	0	36	-1.0	-49.53	311.57	5.85	-43.68
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007686597	0	33	-1.0	-48.96	272.96	4.19	-44.77
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007686598	0	35	-1.0	-56.77	299.87	7.19	-49.58
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686599	0	39	-1.0	-50.30	310.39	4.95	-45.35
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=C1F	REAL300007686600	0	41	-1.0	-47.55	312.92	7.74	-39.81
COC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1OC	REAL300007686601	0	40	-1.0	-53.45	310.84	5.40	-48.05
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300007686602	0	35	-1.0	-52.96	287.81	5.78	-47.18
CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300007686603	0	45	-1.0	-52.41	336.81	5.83	-46.58
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686604	0	44	-1.0	-52.86	336.05	6.31	-46.55
CCCCN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C)=N1	REAL300007686605	0	44	-1.0	-51.32	340.45	5.69	-45.63
CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C2CC2)=N1	REAL300007686606	0	39	-1.0	-53.19	304.36	4.95	-48.24
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007686607	0	36	-1.0	-54.12	300.12	5.26	-48.86
CN1N=NC2=C(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])C=CC=C21	REAL300007686608	0	37	-1.0	-56.88	303.92	4.02	-52.86
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1Br	REAL300007686609	0	38	-1.0	-56.44	303.25	7.04	-49.40
CC1(C)CCCN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300007686610	0	43	-1.0	-52.20	313.17	5.79	-46.41
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007686611	0	38	-1.0	-48.86	329.53	6.86	-42.00
CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300007686612	0	42	-1.0	-52.36	321.08	5.36	-47.00
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686613	0	50	-1.0	-56.68	372.04	9.40	-47.28
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007686614	0	38	-1.0	-54.10	330.10	7.56	-46.54
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007686615	0	42	-1.0	-58.30	334.13	6.21	-52.09
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007686616	0	36	-1.0	-56.28	298.31	6.51	-49.77
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007686617	0	43	-1.0	-56.32	352.94	8.32	-48.00
COC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007686618	0	41	-1.0	-68.54	324.57	7.21	-61.33
CCCC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686619	0	41	-1.0	-56.84	324.18	7.92	-48.92
CN1N=C2CCCC2=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686620	0	39	-1.0	-49.82	300.36	4.61	-45.21
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686621	0	41	-1.0	-51.77	307.13	4.92	-46.85
CC(C)(C)N1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300007686622	0	41	-1.0	-51.14	325.03	5.32	-45.82
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007686623	0	39	-1.0	-56.23	308.28	4.54	-51.69
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300007686624	0	37	-1.0	-45.24	310.56	5.52	-39.72
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007686625	0	35	-1.0	-48.55	306.04	6.76	-41.79
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686626	0	43	-1.0	-70.49	344.36	7.74	-62.75
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007686627	0	43	-1.0	-58.04	331.41	8.57	-49.47
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007686628	0	38	-1.0	-52.80	323.75	6.76	-46.04
O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007686629	0	38	-1.0	-55.21	302.65	6.10	-49.11
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007686630	0	39	-1.0	-61.39	315.93	4.06	-57.33
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686631	0	42	-1.0	-51.78	357.09	6.45	-45.33
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007686632	0	32	-1.0	-54.27	280.97	5.56	-48.71
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007686633	0	39	-1.0	-57.70	310.12	7.79	-49.91
COC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=CS1	REAL300007686634	0	33	-1.0	-55.64	281.06	4.05	-51.59
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007686635	0	42	-1.0	-53.45	326.97	5.90	-47.55
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686636	0	41	-1.0	-52.31	313.42	5.24	-47.07
CN(C1CCCCCC1)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686637	0	46	-1.0	-44.70	324.65	6.35	-38.35
CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300007686638	0	46	-1.0	-51.28	343.10	3.74	-47.54
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686639	0	38	-1.0	-56.87	313.00	7.23	-49.64
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007686640	0	36	-1.0	-53.90	300.08	5.27	-48.63
O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007686641	0	47	-1.0	-49.16	350.84	7.92	-41.24
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])S1	REAL300007686642	0	33	-1.0	-52.37	284.02	4.11	-48.26
CC1=CC(C)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007686643	0	43	-1.0	-67.18	318.86	7.92	-59.26
O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007686644	0	40	-1.0	-48.76	314.26	5.52	-43.24
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300007686645	0	35	-1.0	-48.27	293.19	4.31	-43.96
CCOCC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686646	0	42	-1.0	-58.68	336.72	6.40	-52.28
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686647	0	42	-1.0	-55.30	338.74	6.85	-48.45
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007686648	0	45	-1.0	-56.67	346.84	6.55	-50.12
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007686649	0	43	-1.0	-54.32	349.74	8.51	-45.81
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300007686650	0	35	-1.0	-56.91	277.90	6.53	-50.38
CC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC(C)=C1Br	REAL300007686651	0	38	-1.0	-52.06	318.59	7.43	-44.63
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007686652	0	41	-1.0	-62.01	316.08	8.34	-53.67
CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007686653	0	42	-1.0	-61.55	338.00	6.66	-54.89
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007686654	0	36	-1.0	-49.20	299.41	6.81	-42.39
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007686655	0	36	-1.0	-49.69	314.30	7.37	-42.32
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007686656	0	36	-1.0	-49.00	314.30	7.37	-41.63
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007686657	0	37	-1.0	-53.52	306.48	-0.36	-53.88
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007686658	0	35	-1.0	-61.85	284.92	5.91	-55.94
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300007686659	0	38	-1.0	-50.25	293.79	5.90	-44.35
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007686660	0	34	-1.0	-52.81	291.84	5.08	-47.73
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CCOC1CCOC1	REAL300007686661	0	40	-1.0	-51.44	317.66	2.89	-48.55
CC1=NC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007686662	0	41	-1.0	-65.11	334.32	5.47	-59.64
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007686663	0	49	-1.0	-54.93	339.89	8.54	-46.39
CC1(C)COC(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C1	REAL300007686664	0	42	-1.0	-58.18	323.09	5.10	-53.08
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007686665	0	35	-1.0	-55.37	293.86	1.39	-53.98
CC(C)(CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-])C(C)(F)F	REAL300007686666	0	40	-1.0	-52.04	301.90	6.12	-45.92
CS(=O)(=O)CCCCS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686667	0	40	-1.0	-61.33	333.35	2.50	-58.83
CC1(C)CCC(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])OC1	REAL300007686668	0	45	-1.0	-57.05	337.21	5.93	-51.12
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007686669	0	42	-1.0	-52.16	333.42	8.00	-44.16
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007686670	0	36	-1.0	-60.91	309.94	4.77	-56.14
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007686671	0	42	-1.0	-56.83	344.88	8.59	-48.24
O=C([O-])[C@H]1CCCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007686672	0	41	-1.0	-53.30	316.71	3.12	-50.18
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007686673	0	45	-1.0	-52.74	330.45	7.70	-45.04
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007686674	0	36	-1.0	-54.29	305.29	7.02	-47.27
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300007686675	0	54	-1.0	-55.77	388.98	9.67	-46.10
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686676	0	43	-1.0	-53.34	337.11	6.56	-46.78
COC1=CSC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1OC	REAL300007686677	0	37	-1.0	-50.90	311.09	4.46	-46.44
O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007686678	0	44	-1.0	-54.57	320.23	6.14	-48.43
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686679	0	43	-1.0	-51.98	339.02	7.53	-44.45
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007686680	0	36	-1.0	-57.37	307.38	6.15	-51.22
COC1=CC(F)=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(F)=C1	REAL300007686681	0	36	-1.0	-49.05	295.90	4.67	-44.38
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007686682	0	36	-1.0	-55.79	303.08	5.13	-50.66
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686683	0	38	-1.0	-58.66	306.57	5.81	-52.85
CN1C=CC2=CC(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])=CC=C21	REAL300007686684	0	39	-1.0	-58.97	313.22	7.46	-51.51
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007686685	0	41	-1.0	-53.65	338.42	6.18	-47.47
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686686	0	45	-1.0	-60.87	350.94	8.23	-52.64
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007686687	0	43	-1.0	-60.88	349.71	8.50	-52.38
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686688	0	38	-1.0	-63.68	297.00	7.12	-56.56
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007686689	0	33	-1.0	-49.05	300.61	4.42	-44.63
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686690	0	43	-1.0	-62.06	344.50	7.30	-54.76
CCN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C2CC2)=N1	REAL300007686691	0	42	-1.0	-53.14	325.96	5.81	-47.33
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300007686692	0	36	-1.0	-56.18	284.42	5.40	-50.78
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007686693	0	38	-1.0	-54.20	323.57	8.38	-45.82
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007686694	0	42	-1.0	-54.48	351.82	9.63	-44.85
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007686695	0	31	-1.0	-46.27	291.64	3.42	-42.85
CCC1=CC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=CC=C1Br	REAL300007686696	0	38	-1.0	-51.41	319.41	7.53	-43.88
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686697	0	45	-1.0	-53.33	344.00	6.69	-46.64
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007686698	0	29	-1.0	-52.14	271.47	5.24	-46.90
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686699	0	46	-1.0	-59.61	360.62	5.89	-53.72
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007686700	0	38	-1.0	-54.39	308.93	7.91	-46.48
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686701	0	40	-1.0	-54.88	311.48	3.56	-51.32
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007686702	0	39	-1.0	-58.81	300.48	7.67	-51.14
CC1(C)CCN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300007686703	0	43	-1.0	-50.72	309.83	5.54	-45.18
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007686704	0	47	-1.0	-52.60	362.92	5.97	-46.63
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686705	0	35	-1.0	-50.93	298.85	3.29	-47.64
COC1=NC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1C	REAL300007686706	0	38	-1.0	-53.95	308.21	3.05	-50.90
CC(C)CN1C=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=N1	REAL300007686707	0	41	-1.0	-49.92	327.91	5.71	-44.21
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686708	0	41	-1.0	-53.13	314.90	4.89	-48.24
O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007686709	0	42	-1.0	-47.09	305.18	2.16	-44.93
COCC1=CC(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=NO1	REAL300007686710	0	38	-1.0	-53.85	317.21	3.58	-50.27
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007686711	0	37	-1.0	-49.68	313.04	7.38	-42.30
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])N=C1	REAL300007686712	0	43	-1.0	-61.86	335.32	6.71	-55.15
CC(C)N1N=CC=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686713	0	38	-1.0	-52.04	303.80	4.52	-47.52
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007686714	0	39	-1.0	-50.42	309.96	5.18	-45.24
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007686715	0	39	-1.0	-57.12	316.11	6.79	-50.33
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007686716	0	34	-1.0	-57.74	293.00	5.33	-52.41
O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007686717	0	37	-1.0	-57.81	295.09	6.11	-51.70
CC1=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=NN1C(C)C	REAL300007686718	0	41	-1.0	-60.21	315.53	4.98	-55.23
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C=C1	REAL300007686719	0	46	-1.0	-54.49	368.55	9.05	-45.44
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007686720	0	37	-1.0	-58.44	301.28	5.81	-52.63
O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300007686721	0	35	-1.0	-48.89	290.86	5.25	-43.64
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686722	0	40	-1.0	-50.13	314.84	1.26	-48.87
O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007686723	0	39	-1.0	-49.32	280.41	3.49	-45.83
N#CC1CCN(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])CC1	REAL300007686724	0	38	-1.0	-42.53	286.90	4.37	-38.16
COC1=CC=NC(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686725	0	35	-1.0	-59.87	289.31	3.68	-56.19
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C(C(F)F)=C1	REAL300007686726	0	39	-1.0	-56.29	308.98	5.86	-50.43
COC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])N=C1	REAL300007686727	0	35	-1.0	-52.98	290.16	2.78	-50.20
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686728	0	38	-1.0	-51.17	320.98	3.75	-47.42
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007686729	0	37	-1.0	-53.98	288.32	5.46	-48.52
CCOC1=CC=CN=C1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-]	REAL300007686730	0	38	-1.0	-65.16	306.52	5.73	-59.43
CC1=CC=C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007686731	0	40	-1.0	-62.32	313.46	7.12	-55.20
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007686732	0	36	-1.0	-53.47	290.16	5.24	-48.23
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007686733	0	34	-1.0	-59.17	289.95	5.43	-53.74
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007686734	0	39	-1.0	-49.04	328.60	6.17	-42.87
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])=C1	REAL300007686735	0	45	-1.0	-58.24	340.25	7.40	-50.84
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2)=N1	REAL300007686736	0	31	-1.0	-49.47	298.35	2.88	-46.59
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(F)=C2)=N1	REAL300007686737	0	31	-1.0	-49.96	304.77	2.95	-47.01
CC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007686738	0	36	-1.0	-56.74	339.63	3.28	-53.46
CCCCN(C)S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686739	0	38	-1.0	-49.02	339.90	2.53	-46.49
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CS2)=N1	REAL300007686740	0	28	-1.0	-48.78	290.29	1.88	-46.90
CCC(C)C1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007686741	0	43	-1.0	-48.66	377.05	5.47	-43.19
CC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)S1	REAL300007686742	0	31	-1.0	-48.63	312.18	2.68	-45.95
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(Cl)S2)=N1	REAL300007686743	0	28	-1.0	-47.25	307.35	2.50	-44.75
COC1=CC=C(C)C=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686744	0	38	-1.0	-50.58	340.31	3.37	-47.21
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=N1	REAL300007686745	0	35	-1.0	-49.07	335.34	3.19	-45.88
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCOCC2)=N1	REAL300007686746	0	34	-1.0	-48.82	306.63	-0.41	-49.23
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=N1	REAL300007686747	0	37	-1.0	-56.96	359.06	0.40	-56.56
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=N1	REAL300007686748	0	35	-1.0	-49.19	344.35	2.67	-46.52
COC1=CC(C)=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1OC	REAL300007686749	0	42	-1.0	-50.55	371.74	2.98	-47.57
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(Cl)C=C2C)=N1	REAL300007686750	0	34	-1.0	-47.47	329.78	4.30	-43.17
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C)N=C2)=N1	REAL300007686751	0	31	-1.0	-51.99	302.91	0.59	-51.40
CCN(CC)S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686752	0	35	-1.0	-48.35	311.58	1.62	-46.73
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(C)C2CCCCC2)=N1	REAL300007686753	0	42	-1.0	-47.87	350.82	3.24	-44.63
CC1=NN(C)C(C)=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686754	0	37	-1.0	-51.43	335.98	1.95	-49.48
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=N1	REAL300007686755	0	47	-1.0	-48.48	400.23	6.69	-41.79
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3OCCOC3=C2)=N1	REAL300007686756	0	37	-1.0	-50.93	342.86	2.04	-48.89
CCC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007686757	0	37	-1.0	-49.00	341.27	4.32	-44.68
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2Br)=N1	REAL300007686758	0	31	-1.0	-50.03	314.84	3.62	-46.41
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(Br)=C2)=N1	REAL300007686759	0	31	-1.0	-49.32	319.66	3.50	-45.82
CC1=NNC=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686760	0	31	-1.0	-51.24	300.96	-0.14	-51.38
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C([N+](=O)[O-])C=CC=C2C)=N1	REAL300007686761	0	36	-1.0	-56.23	330.80	5.23	-51.00
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2=CC=CC(Cl)=C2)=N1	REAL300007686762	0	37	-1.0	-52.58	360.35	4.89	-47.69
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)=N1	REAL300007686763	0	41	-1.0	-61.49	380.78	-0.52	-62.01
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=N1	REAL300007686764	0	42	-1.0	-52.29	380.98	4.72	-47.57
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C)=CC(F)=C2)=N1	REAL300007686765	0	34	-1.0	-48.59	326.18	3.61	-44.98
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2CC2)=N1	REAL300007686766	0	34	-1.0	-51.31	315.33	2.92	-48.39
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=CC=CC=C3OC2)=N1	REAL300007686767	0	37	-1.0	-51.04	344.07	3.38	-47.66
COCC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007686768	0	38	-1.0	-50.28	353.44	2.61	-47.67
CCOC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=N1	REAL300007686769	0	37	-1.0	-49.23	347.39	0.49	-48.74
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCCS(C)(=O)=O)=N1	REAL300007686770	0	36	-1.0	-65.21	347.34	-1.09	-66.30
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C(C)=C1C	REAL300007686771	0	41	-1.0	-49.33	358.22	3.69	-45.64
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=CC=CN=C3C=C2)=N1	REAL300007686772	0	36	-1.0	-51.94	339.33	3.27	-48.67
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=NOC=C2)=N1	REAL300007686773	0	30	-1.0	-55.67	297.11	0.87	-54.80
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)N(C)N=C2)=N1	REAL300007686774	0	34	-1.0	-51.42	320.62	1.04	-50.38
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)=N1	REAL300007686775	0	41	-1.0	-57.54	369.06	-1.55	-59.09
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(C)C2CCOCC2)=N1	REAL300007686776	0	40	-1.0	-48.88	345.37	0.97	-47.91
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CC3CCC2C3)=N1	REAL300007686777	0	37	-1.0	-49.29	325.93	2.41	-46.88
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)N(C3=CC=CC=N3)N=C2)=N1	REAL300007686778	0	40	-1.0	-52.93	371.76	4.14	-48.79
CCN1N=C(C)C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1C	REAL300007686779	0	40	-1.0	-50.45	356.88	2.78	-47.67
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C(C)C)N=C2)=N1	REAL300007686780	0	37	-1.0	-51.56	343.13	1.96	-49.60
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(CC(C)C)C=N2)=N1	REAL300007686781	0	40	-1.0	-52.93	362.90	3.84	-49.09
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C(C)C)C=N2)=N1	REAL300007686782	0	37	-1.0	-52.82	343.80	3.26	-49.56
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CNC(C(C)C)=N2)=N1	REAL300007686783	0	37	-1.0	-52.27	340.14	1.47	-50.80
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2C(C)(C)C)=N1	REAL300007686784	0	43	-1.0	-49.22	350.31	5.41	-43.81
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)=N1	REAL300007686785	0	39	-1.0	-60.30	364.84	2.29	-58.01
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2CCCOC2)=N1	REAL300007686786	0	38	-1.0	-53.21	332.15	1.61	-51.60
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(F)=C2C)=N1	REAL300007686787	0	34	-1.0	-48.98	318.26	3.82	-45.16
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=N1	REAL300007686788	0	37	-1.0	-48.95	353.74	5.66	-43.29
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=N1	REAL300007686789	0	35	-1.0	-51.27	343.83	2.52	-48.75
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686790	0	46	-1.0	-50.01	396.70	4.33	-45.68
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C(F)F)C=C2)=N1	REAL300007686791	0	34	-1.0	-50.06	330.55	3.75	-46.31
COCC1=CC=C(OC)C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007686792	0	42	-1.0	-51.81	373.96	2.43	-49.38
COCCC(C)S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686793	0	37	-1.0	-51.43	327.86	1.47	-49.96
COC1=CC=C(F)C=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686794	0	35	-1.0	-50.45	325.28	2.77	-47.68
CCC(C)CS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686795	0	36	-1.0	-50.93	317.66	2.75	-48.18
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCC3(CCCCC3)CC2)=N1	REAL300007686796	0	49	-1.0	-48.10	385.44	4.56	-43.54
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C3N=C(C)C=CC3=CC=C2)=N1	REAL300007686797	0	39	-1.0	-54.07	352.10	4.58	-49.49
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])=N1	REAL300007686798	0	39	-1.0	-56.83	363.14	4.77	-52.06
CCN(CC1CC1)S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686799	0	39	-1.0	-47.94	343.59	3.12	-44.82
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C3CCOCC3)N=C2)=N1	REAL300007686800	0	42	-1.0	-51.12	375.52	1.42	-49.70
CCCN1C=NC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007686801	0	37	-1.0	-53.12	345.68	3.63	-49.49
COCCOCCOCCS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686802	0	45	-1.0	-54.76	406.83	0.19	-54.57
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCOCC2CC2)=N1	REAL300007686803	0	38	-1.0	-50.98	349.41	2.18	-48.80
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC(C)COC2CCCC2)=N1	REAL300007686804	0	47	-1.0	-52.24	398.93	4.27	-47.97
COCC(C)CS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686805	0	37	-1.0	-52.57	332.38	1.19	-51.38
CCOCC(C)CS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686806	0	40	-1.0	-52.51	354.23	2.18	-50.33
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C3CCOC3)N=C2)=N1	REAL300007686807	0	39	-1.0	-50.76	356.40	0.63	-50.13
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=N1	REAL300007686808	0	35	-1.0	-49.35	335.04	3.04	-46.31
COC1=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=CC=C1[N+](=O)[O-]	REAL300007686809	0	37	-1.0	-52.25	353.88	3.62	-48.63
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)=N1	REAL300007686810	0	37	-1.0	-47.77	351.85	4.78	-42.99
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)=N1	REAL300007686811	0	37	-1.0	-48.76	352.13	4.79	-43.97
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)=N1	REAL300007686812	0	37	-1.0	-48.27	352.80	4.39	-43.88
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2C(C)C)=N1	REAL300007686813	0	40	-1.0	-48.94	352.28	4.97	-43.97
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCCN2CCOCC2)=N1	REAL300007686814	0	43	-1.0	-53.43	372.05	-0.14	-53.57
CCOC1=CC=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007686815	0	38	-1.0	-50.97	349.71	3.10	-47.87
COCCN1C=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=N1	REAL300007686816	0	38	-1.0	-51.58	358.12	0.49	-51.09
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC(C)(C)C)=N1	REAL300007686817	0	39	-1.0	-50.94	338.94	3.06	-47.88
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)=N1	REAL300007686818	0	38	-1.0	-54.20	362.72	3.42	-50.78
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300007686819	0	39	-1.0	-57.16	371.84	5.06	-52.10
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=CC=CC=C3N=C2)=N1	REAL300007686820	0	36	-1.0	-51.57	339.55	3.25	-48.32
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCC(C)C2)=N1	REAL300007686821	0	36	-1.0	-48.66	322.47	1.84	-46.82
COCC1=CC=CC=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686822	0	38	-1.0	-48.85	344.89	3.00	-45.85
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=N1	REAL300007686823	0	34	-1.0	-54.50	342.32	1.95	-52.55
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(CC(F)F)N=C2)=N1	REAL300007686824	0	34	-1.0	-55.09	336.29	1.76	-53.33
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)=N1	REAL300007686825	0	42	-1.0	-49.83	375.81	4.12	-45.71
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=N1	REAL300007686826	0	34	-1.0	-50.94	332.24	1.87	-49.07
CSC1=CC=CC=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686827	0	35	-1.0	-50.70	322.58	3.04	-47.66
CCC1=CC=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007686828	0	37	-1.0	-49.23	341.25	4.31	-44.92
CCC1=CC=C(CS(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007686829	0	40	-1.0	-52.57	365.01	5.04	-47.53
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2=CC=CS2)=N1	REAL300007686830	0	34	-1.0	-51.39	333.85	3.48	-47.91
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=C(C)C(C)=C2)=N1	REAL300007686831	0	40	-1.0	-53.05	360.53	4.80	-48.25
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(C)CC(C)C)=N1	REAL300007686832	0	38	-1.0	-49.06	333.04	2.14	-46.92
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(C)C2CCCC2)=N1	REAL300007686833	0	39	-1.0	-48.48	336.54	2.68	-45.80
CCCN(C)S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686834	0	35	-1.0	-49.03	318.40	1.75	-47.28
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCOC(C)(C)C2)=N1	REAL300007686835	0	40	-1.0	-48.41	344.55	1.08	-47.33
CC1=NOC(CS(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007686836	0	33	-1.0	-56.49	319.07	1.74	-54.75
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)=N1	REAL300007686837	0	43	-1.0	-51.75	389.08	4.41	-47.34
CCS(=O)(=O)NCCS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686838	0	38	-1.0	-60.37	362.21	-2.37	-62.74
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)=N1	REAL300007686839	0	37	-1.0	-48.53	349.85	4.11	-44.42
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=N1	REAL300007686840	0	37	-1.0	-52.94	356.05	5.74	-47.20
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2CCCO2)=N1	REAL300007686841	0	38	-1.0	-51.86	340.14	1.68	-50.18
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=N1	REAL300007686842	0	37	-1.0	-51.07	359.38	4.67	-46.40
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2=CC=C3OCCC3=C2)=N1	REAL300007686843	0	42	-1.0	-54.19	379.51	4.23	-49.96
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)SC3=C(C)C=CC=C32)=N1	REAL300007686844	0	40	-1.0	-49.48	363.61	5.69	-43.79
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C)C(N(C)C)=C2)=N1	REAL300007686845	0	42	-1.0	-49.15	372.98	3.53	-45.62
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C3OCCCN3N=C2)=N1	REAL300007686846	0	36	-1.0	-52.35	331.24	-0.19	-52.54
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCOCC2CCCC2)=N1	REAL300007686847	0	44	-1.0	-50.74	383.10	3.34	-47.40
COC1=CC(C)=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300007686848	0	38	-1.0	-49.20	359.44	3.51	-45.69
CSC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300007686849	0	35	-1.0	-50.20	353.57	4.35	-45.85
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686850	0	43	-1.0	-50.54	372.20	3.36	-47.18
COC(C)CS(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686851	0	34	-1.0	-53.00	314.54	0.83	-52.17
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=N1	REAL300007686852	0	39	-1.0	-52.71	369.51	1.45	-51.26
CCC1=NOC2=NC=C(S(=O)(=O)NCC3=NC(C)=C(C(=O)[O-])S3)C=C12	REAL300007686853	0	38	-1.0	-53.29	359.60	0.59	-52.70
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=N1	REAL300007686854	0	36	-1.0	-52.77	342.71	2.01	-50.76
CCC1=CC(CC)=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C(CC)=C1	REAL300007686855	0	49	-1.0	-46.89	398.53	7.47	-39.42
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN3CCCCC3=N2)=N1	REAL300007686856	0	38	-1.0	-53.23	342.13	3.06	-50.17
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)=N1	REAL300007686857	0	40	-1.0	-56.62	364.94	6.65	-49.97
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C(C)=C1F	REAL300007686858	0	38	-1.0	-50.51	347.53	3.12	-47.39
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2(C)CCCCC2)=N1	REAL300007686859	0	43	-1.0	-50.49	348.20	4.39	-46.10
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=CC=CC=C3OCC2)=N1	REAL300007686860	0	40	-1.0	-49.87	359.47	4.34	-45.53
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=N1	REAL300007686861	0	39	-1.0	-51.00	367.81	4.14	-46.86
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN=NN2C)=N1	REAL300007686862	0	30	-1.0	-51.09	288.39	-1.02	-52.11
COCC1=CC(Cl)=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007686863	0	38	-1.0	-49.18	370.16	3.11	-46.07
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=C(C)C=C2F)=N1	REAL300007686864	0	37	-1.0	-53.17	348.84	4.30	-48.87
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)S2)=N1	REAL300007686866	0	31	-1.0	-47.57	330.94	3.07	-44.50
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2CC3=CC=CC=C3C2)=N1	REAL300007686867	0	44	-1.0	-53.59	387.11	6.17	-47.42
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=NOC(C(C)(C)C)=C2)=N1	REAL300007686868	0	42	-1.0	-55.04	380.26	3.60	-51.44
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2CCC2)=N1	REAL300007686869	0	37	-1.0	-51.22	331.94	3.44	-47.78
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCCC(C)(C)C)=N1	REAL300007686870	0	42	-1.0	-51.22	360.44	3.83	-47.39
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2CCCS(=O)(=O)C2)=N1	REAL300007686871	0	40	-1.0	-61.00	359.51	0.06	-60.94
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=N1	REAL300007686872	0	34	-1.0	-49.26	334.54	3.33	-45.93
CC1=C(CCS(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)SC=N1	REAL300007686873	0	36	-1.0	-53.00	347.14	2.11	-50.89
COCC1(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)CC1	REAL300007686874	0	35	-1.0	-52.49	324.11	1.91	-50.58
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC23CCC(CC2)C3)=N1	REAL300007686875	0	41	-1.0	-50.94	342.88	4.36	-46.58
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2CC(F)(F)C2)=N1	REAL300007686876	0	34	-1.0	-54.20	323.65	2.84	-51.36
COC1=CC=C2C=C(S(=O)(=O)NCC3=NC(C)=C(C(=O)[O-])S3)CCC2=C1	REAL300007686877	0	43	-1.0	-50.60	382.29	4.58	-46.02
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC23CCC(CC2)CC3)=N1	REAL300007686878	0	44	-1.0	-50.88	355.79	4.90	-45.98
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC2CCOC2)=N1	REAL300007686879	0	38	-1.0	-53.75	337.66	1.38	-52.37
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)=N1	REAL300007686880	0	42	-1.0	-59.23	371.60	-0.01	-59.24
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2CCCCC2(F)F)=N1	REAL300007686881	0	40	-1.0	-50.36	351.41	4.03	-46.33
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=N1	REAL300007686882	0	38	-1.0	-51.47	349.07	5.00	-46.47
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=NN(C)C=C2)=N1	REAL300007686883	0	31	-1.0	-52.40	301.19	0.48	-51.92
CCC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1[N+](=O)[O-]	REAL300007686884	0	39	-1.0	-53.56	360.76	4.73	-48.83
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(Cl)C=C2)=N1	REAL300007686885	0	31	-1.0	-48.20	315.09	3.40	-44.80
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(Br)C=C2)=N1	REAL300007686886	0	31	-1.0	-48.11	319.65	3.50	-44.61
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300007686887	0	33	-1.0	-50.38	326.60	3.55	-46.83
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)=N1	REAL300007686888	0	37	-1.0	-50.34	344.32	5.16	-45.18
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300007686889	0	33	-1.0	-53.81	326.58	3.55	-50.26
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=N1	REAL300007686890	0	36	-1.0	-51.52	341.28	4.46	-47.06
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007686891	0	35	-1.0	-49.82	327.85	2.18	-47.64
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=N1	REAL300007686892	0	33	-1.0	-56.91	315.80	4.37	-52.54
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C)C=C2)=N1	REAL300007686893	0	34	-1.0	-49.24	319.78	3.56	-45.68
CCOC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007686894	0	38	-1.0	-49.59	349.72	3.10	-46.49
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)=N1	REAL300007686895	0	43	-1.0	-47.84	358.94	5.46	-42.38
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C=C(C)C=C2C)=N1	REAL300007686896	0	40	-1.0	-47.75	342.47	4.91	-42.84
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)=N1	REAL300007686897	0	46	-1.0	-48.33	389.27	6.11	-42.22
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300007686898	0	34	-1.0	-50.25	337.09	3.88	-46.37
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C)=CC=C2)=N1	REAL300007686899	0	34	-1.0	-49.36	319.77	3.55	-45.81
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C=CC2=CC=CC=C2)=N1	REAL300007686900	0	35	-1.0	-50.15	330.27	4.06	-46.09
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)=N1	REAL300007686901	0	34	-1.0	-51.78	323.31	4.45	-47.33
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(Cl)=C2)=N1	REAL300007686902	0	31	-1.0	-49.42	315.09	3.40	-46.02
CC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007686903	0	36	-1.0	-53.08	339.60	3.29	-49.79
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C)=CC=C2C)=N1	REAL300007686904	0	37	-1.0	-48.74	334.48	4.45	-44.29
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C)C(C)=C2)=N1	REAL300007686905	0	37	-1.0	-49.31	336.79	4.08	-45.23
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C)C=C2C)=N1	REAL300007686906	0	37	-1.0	-48.84	334.51	4.45	-44.39
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1[N+](=O)[O-]	REAL300007686907	0	37	-1.0	-54.23	353.89	3.62	-50.61
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300007686908	0	43	-1.0	-48.65	374.57	5.20	-43.45
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C(C)C)C=C2)=N1	REAL300007686909	0	40	-1.0	-48.76	358.60	4.81	-43.95
CCCC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007686910	0	40	-1.0	-48.92	362.75	5.10	-43.82
COC1=CC=CC=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686911	0	35	-1.0	-50.76	318.85	2.70	-48.06
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=CC=C2)=N1	REAL300007686912	0	34	-1.0	-52.74	322.11	3.59	-49.15
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=N1	REAL300007686913	0	35	-1.0	-48.20	344.35	2.67	-45.53
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C(C)=C(C)C(C)=C2C)=N1	REAL300007686914	0	46	-1.0	-48.26	372.23	5.90	-42.36
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3OCCCOC3=C2)=N1	REAL300007686915	0	40	-1.0	-50.89	361.21	2.82	-48.07
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686916	0	47	-1.0	-50.28	395.07	5.03	-45.25
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=N1	REAL300007686917	0	36	-1.0	-53.60	342.59	4.07	-49.53
CC1=NNC(C)=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686918	0	34	-1.0	-50.19	314.57	0.71	-49.48
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C=C(C(C)(C)C)C=C2C)=N1	REAL300007686919	0	49	-1.0	-47.18	397.28	6.56	-40.62
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300007686920	0	34	-1.0	-48.63	337.12	3.88	-44.75
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3CCCCC3=C2)=N1	REAL300007686921	0	41	-1.0	-49.21	361.10	5.36	-43.85
COC1=CC=C(OC)C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007686922	0	39	-1.0	-52.01	348.36	1.99	-50.02
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1OC	REAL300007686923	0	39	-1.0	-51.58	357.09	2.08	-49.50
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3CCCC3=C2)=N1	REAL300007686924	0	38	-1.0	-49.18	343.92	4.79	-44.39
CC1=NOC(C)=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686925	1	33	-1.0	-48.19	311.45	1.83	-46.36
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC3=CC=CC=C3CC2)=N1	REAL300007686926	0	39	-1.0	-49.45	352.82	5.28	-44.17
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C3OCCC3=C2)=N1	REAL300007686927	0	36	-1.0	-50.23	334.30	2.72	-47.51
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(CCC(C)C)C=C2)=N1	REAL300007686928	0	46	-1.0	-48.78	401.82	6.39	-42.39
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=N1	REAL300007686929	0	36	-1.0	-55.26	352.60	-2.17	-57.43
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC([N+](=O)[O-])=C(C)C(C)=C2)=N1	REAL300007686930	0	39	-1.0	-52.59	359.44	4.60	-47.99
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C(C)=CC([N+](=O)[O-])=C2)=N1	REAL300007686931	0	39	-1.0	-50.44	359.61	4.89	-45.55
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCCCCC2)=N1	REAL300007686932	0	39	-1.0	-48.97	331.03	2.96	-46.01
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C3N=CC(C)=CC3=CC=C2)=N1	REAL300007686933	0	39	-1.0	-53.51	351.93	4.65	-48.86
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C([N+](=O)[O-])=C1	REAL300007686934	0	37	-1.0	-55.13	345.23	3.67	-51.46
COC1=CC(Cl)=CC=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686935	0	35	-1.0	-48.60	335.62	3.22	-45.38
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=N1	REAL300007686936	0	36	-1.0	-56.55	352.60	-2.17	-58.72
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCCCC2)=N1	REAL300007686937	0	36	-1.0	-48.07	314.67	1.98	-46.09
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCCC2)=N1	REAL300007686938	0	33	-1.0	-48.93	301.82	1.23	-47.70
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCC3=CC=CC=C3C2)=N1	REAL300007686939	0	40	-1.0	-48.92	351.01	4.03	-44.89
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C)C3=NC=CC=C23)=N1	REAL300007686940	0	39	-1.0	-51.10	354.61	4.18	-46.92
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C([N+](=O)[O-])C=C(C)C(C)=C2)=N1	REAL300007686941	0	39	-1.0	-54.91	354.20	5.57	-49.34
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCC(C)CC2)=N1	REAL300007686942	0	39	-1.0	-48.52	337.35	2.69	-45.83
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)=N1	REAL300007686943	0	43	-1.0	-59.61	384.30	2.21	-57.40
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)=N1	REAL300007686944	0	37	-1.0	-57.91	359.06	0.40	-57.51
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)=N1	REAL300007686945	0	41	-1.0	-47.70	354.03	5.99	-41.71
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CC(C)CC(C)C2)=N1	REAL300007686946	0	42	-1.0	-47.68	347.52	3.16	-44.52
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=CC=CC=C32)=N1	REAL300007686947	0	37	-1.0	-51.45	339.36	5.24	-46.21
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300007686948	0	41	-1.0	-50.29	372.55	6.29	-44.00
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(F)=CC=C2C)=N1	REAL300007686949	0	34	-1.0	-48.73	319.46	3.84	-44.89
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=NSN=C32)=N1	REAL300007686950	0	32	-1.0	-51.86	316.71	1.27	-50.59
COC1=CC=C(Cl)C=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686951	0	35	-1.0	-49.94	335.61	3.22	-46.72
COC1=CC=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=C1	REAL300007686952	0	35	-1.0	-51.13	327.86	2.18	-48.95
CCC(C)(C)C1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007686953	0	46	-1.0	-48.52	388.79	5.67	-42.85
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C)C(Cl)=C2)=N1	REAL300007686954	0	34	-1.0	-48.64	333.83	4.00	-44.64
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(OC(C)C)C=C2)=N1	REAL300007686955	0	41	-1.0	-49.43	367.63	3.73	-45.70
CCC1=CC=CC=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686956	0	37	-1.0	-48.56	329.79	4.65	-43.91
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC=C2C)=N1	REAL300007686957	0	34	-1.0	-48.76	313.93	3.68	-45.08
CC1=NC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=CN1C	REAL300007686958	0	34	-1.0	-53.63	319.87	1.92	-51.71
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=CC(Cl)=C2)=N1	REAL300007686959	0	34	-1.0	-52.94	338.84	4.10	-48.84
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=NON=C32)=N1	REAL300007686960	0	32	-1.0	-52.46	309.18	1.60	-50.86
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC3=CC=CN=C32)=N1	REAL300007686961	0	36	-1.0	-54.08	330.57	4.00	-50.08
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686962	0	37	-1.0	-49.43	347.11	3.37	-46.06
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1F	REAL300007686963	0	35	-1.0	-51.56	334.07	2.25	-49.31
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(C)C(F)=C2)=N1	REAL300007686964	0	34	-1.0	-49.02	325.08	3.59	-45.43
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=C(C)C=C2)=N1	REAL300007686965	0	37	-1.0	-52.80	343.53	4.27	-48.53
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CN(C)C=N2)=N1	REAL300007686966	0	31	-1.0	-54.16	302.38	1.97	-52.19
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CN=C2)=N1	REAL300007686967	0	30	-1.0	-50.52	293.34	1.10	-49.42
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N2CCCCC2C)=N1	REAL300007686968	0	39	-1.0	-48.16	328.78	2.96	-45.20
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)N(C)C(C)C)=N1	REAL300007686969	0	35	-1.0	-48.33	309.94	1.34	-46.99
CCCN(CCC)S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686970	0	41	-1.0	-47.93	354.46	3.16	-44.77
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300007686971	0	34	-1.0	-53.37	354.03	4.56	-48.81
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C2=CC=CC=C12	REAL300007686972	0	41	-1.0	-51.17	367.70	4.58	-46.59
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C)=N1	REAL300007686973	0	36	-1.0	-49.09	341.28	4.45	-44.64
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2C)=N1	REAL300007686974	0	36	-1.0	-51.82	336.40	4.19	-47.63
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686975	0	39	-1.0	-51.11	358.27	5.34	-45.77
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(CC(C)C)C=C2)=N1	REAL300007686976	0	43	-1.0	-48.86	379.57	5.56	-43.30
COCCC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007686977	0	41	-1.0	-49.72	374.93	3.39	-46.33
COCCN(CCOC)S(=O)(=O)NCC1=NC(C)=C(C(=O)[O-])S1	REAL300007686978	0	43	-1.0	-48.00	372.12	0.09	-47.91
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(Cl)=CC=C2C)=N1	REAL300007686979	0	34	-1.0	-48.26	329.79	4.30	-43.96
COC1=C(C)C=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1C	REAL300007686980	0	41	-1.0	-49.20	369.59	3.68	-45.52
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(OCCC(C)C)C=C2)=N1	REAL300007686981	0	47	-1.0	-49.17	410.27	5.21	-43.96
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)=N1	REAL300007686982	0	45	-1.0	-49.11	393.01	5.10	-44.01
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(OCC(C)C)C=C2)=N1	REAL300007686983	0	44	-1.0	-49.20	391.31	4.60	-44.60
CCCOC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007686984	0	41	-1.0	-49.32	371.20	3.90	-45.42
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1Cl	REAL300007686985	0	35	-1.0	-50.67	343.88	2.74	-47.93
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1C	REAL300007686986	0	38	-1.0	-49.82	347.92	2.92	-46.90
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=C(OC(C)C)C(C)=C2)=N1	REAL300007686987	0	44	-1.0	-49.43	387.72	4.47	-44.96
COC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C(C)=C1	REAL300007686988	0	38	-1.0	-49.26	342.56	3.09	-46.17
COCCOC1=CC=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)C=C1	REAL300007686989	0	42	-1.0	-51.69	383.33	2.38	-49.31
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC=CC=C2F)=N1	REAL300007686990	0	34	-1.0	-54.23	327.45	3.63	-50.60
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=C(C)C(C)=CC=C2[N+](=O)[O-])=N1	REAL300007686991	0	39	-1.0	-55.38	347.64	5.76	-49.62
CC1=NC(C)=C(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)S1	REAL300007686992	0	33	-1.0	-48.45	322.62	1.47	-46.98
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CSC3=CC=CC=C23)=N1	REAL300007686993	0	34	-1.0	-48.65	324.40	3.76	-44.89
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2CCCC2)=N1	REAL300007686994	0	37	-1.0	-51.03	325.33	3.30	-47.73
COC1=CC(S(=O)(=O)NCC2=NC(C)=C(C(=O)[O-])S2)=CC=C1F	REAL300007686995	0	35	-1.0	-49.99	334.08	2.25	-47.74
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CSC=C2)=N1	REAL300007686996	0	28	-1.0	-48.47	289.46	1.77	-46.70
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)=N1	REAL300007686997	0	41	-1.0	-51.11	372.56	6.29	-44.82
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)=N1	REAL300007686998	0	34	-1.0	-52.42	355.59	4.60	-47.82
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)CC2CCCCC2)=N1	REAL300007686999	0	40	-1.0	-50.95	341.07	4.00	-46.95
CC1=C(C(=O)[O-])SC(CNS(=O)(=O)C2=CC(C)=CC3=CC=CN=C32)=N1	REAL300007687000	0	39	-1.0	-53.56	351.94	4.66	-48.90
CCCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007687373	0	38	-1.0	-40.45	315.81	4.77	-35.68
CCCCC(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300007687374	0	45	-1.0	-43.51	362.86	5.48	-38.03
CCCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300007687375	0	45	-1.0	-56.49	390.10	1.53	-54.96
CCCCC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007687376	0	52	-1.0	-52.52	385.27	6.22	-46.30
CCCCC(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007687377	0	42	-1.0	-50.74	343.36	6.21	-44.53
CCCCC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007687378	0	42	-1.0	-51.08	359.46	6.45	-44.63
CCCCC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007687379	0	45	-1.0	-46.32	376.45	3.17	-43.15
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300007687380	0	48	-1.0	-41.99	400.64	5.86	-36.13
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300007687381	0	48	-1.0	-43.65	402.60	5.92	-37.73
CCCCC(NS(=O)(=O)C1=CN(CCC)C=N1)C(=O)[O-]	REAL300007687382	0	40	-1.0	-59.97	343.38	5.65	-54.32
CCCCC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007687383	0	50	-1.0	-40.48	398.68	5.94	-34.54
CCCCC(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007687384	0	41	-1.0	-41.66	365.26	4.89	-36.77
CCCCC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007687385	0	42	-1.0	-51.61	357.26	2.30	-49.31
CCCCC(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300007687386	0	38	-1.0	-43.27	350.09	4.54	-38.73
CCCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007687387	0	38	-1.0	-39.64	324.64	4.68	-34.96
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300007687388	0	40	-1.0	-49.81	354.00	5.28	-44.53
CCCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300007687389	0	40	-1.0	-38.33	345.74	6.21	-32.12
CCCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300007687390	0	40	-1.0	-39.54	347.34	6.38	-33.16
CCCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007687391	0	40	-1.0	-49.66	352.67	6.08	-43.58
CCCCC(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300007687392	0	43	-1.0	-58.36	342.89	6.05	-52.31
CCCCC(NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300007687393	0	41	-1.0	-53.82	349.87	4.78	-49.04
CCCCC(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300007687394	0	41	-1.0	-44.89	356.79	2.21	-42.68
CCCCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007687395	0	41	-1.0	-58.56	362.83	5.09	-53.47
CCCCC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007687396	0	42	-1.0	-57.72	371.60	6.73	-50.99
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007687397	0	39	-1.0	-49.95	340.48	4.98	-44.97
CCCCC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007687398	0	37	-1.0	-41.43	339.59	5.87	-35.56
CCCCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007687399	0	37	-1.0	-55.29	338.67	5.83	-49.46
CCCCC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007687400	0	41	-1.0	-65.08	363.15	2.41	-62.67
CCCCC(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300007687401	0	37	-1.0	-43.09	342.01	5.90	-37.19
CCCCC(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007687402	0	37	-1.0	-51.33	328.21	5.89	-45.44
CCCCC(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300007687403	0	41	-1.0	-53.18	341.92	4.56	-48.62
CCCCC(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300007687404	0	38	-1.0	-50.10	348.39	4.51	-45.59
CCCCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300007687405	0	42	-1.0	-41.53	354.87	4.58	-36.95
CCCCC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007687406	0	37	-1.0	-47.50	343.26	3.68	-43.82
CCCCC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007687407	0	37	-1.0	-43.38	336.11	3.45	-39.93
CCCCC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007687408	0	45	-1.0	-53.14	375.99	5.81	-47.33
CCCCC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007687409	0	37	-1.0	-47.87	326.06	3.59	-44.28
CCCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300007687410	0	46	-1.0	-57.21	401.95	3.78	-53.43
CCCCC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007687411	0	38	-1.0	-58.03	332.04	5.59	-52.44
CCCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007687412	0	42	-1.0	-55.73	377.42	1.32	-54.41
CCCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007687413	0	45	-1.0	-67.46	365.91	4.38	-63.08
CCCCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300007687414	0	45	-1.0	-54.72	398.89	2.21	-52.51
CCCCC(NS(=O)(=O)CC1=CC=C(CC)C=C1)C(=O)[O-]	REAL300007687415	0	43	-1.0	-56.70	364.77	6.71	-49.99
CCCCC(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007687416	0	37	-1.0	-41.55	330.02	5.13	-36.42
CCCCC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007687417	0	49	-1.0	-56.96	411.99	5.00	-51.96
CCCCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007687418	0	46	-1.0	-59.73	384.73	3.91	-55.82
CCCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300007687419	0	43	-1.0	-52.67	381.11	3.07	-49.60
CCCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300007687420	0	44	-1.0	-47.01	370.20	2.22	-44.79
CCCCC(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007687421	0	43	-1.0	-43.64	356.71	6.46	-37.18
CCCCC(NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300007687422	0	41	-1.0	-50.58	370.24	5.44	-45.14
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007687423	0	48	-1.0	-48.68	407.41	7.68	-41.00
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007687424	0	38	-1.0	-39.71	334.98	5.12	-34.59
CCCCC(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300007687425	0	41	-1.0	-44.85	364.49	5.13	-39.72
CCCCC(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300007687426	0	43	-1.0	-42.38	345.25	2.86	-39.52
CCCCC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007687427	0	48	-1.0	-45.67	410.04	6.53	-39.14
CCCCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300007687428	0	41	-1.0	-45.16	367.02	5.62	-39.54
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007687429	0	46	-1.0	-46.42	390.02	6.17	-40.25
CCCCC(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300007687430	0	41	-1.0	-46.36	358.39	-0.71	-47.07
CCCCC(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007687431	0	40	-1.0	-47.39	352.99	5.90	-41.49
CCCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007687432	0	37	-1.0	-42.39	352.68	6.56	-35.83
CCCCC(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007687433	0	40	-1.0	-43.33	361.78	7.35	-35.98
CCCCC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007687434	0	37	-1.0	-52.35	351.21	6.41	-45.94
CCCCC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007687435	0	40	-1.0	-57.34	354.31	7.34	-50.00
CCCCC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007687436	0	40	-1.0	-55.60	359.51	6.35	-49.25
CCCCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007687437	0	45	-1.0	-44.98	379.02	5.91	-39.07
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007687438	0	48	-1.0	-57.21	409.22	7.91	-49.30
CCCCC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007687439	0	47	-1.0	-57.56	405.91	6.11	-51.45
CCCCC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007687440	0	45	-1.0	-46.10	397.88	1.64	-44.46
CCCCC(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300007687441	0	43	-1.0	-47.17	370.37	7.62	-39.55
CCCCC(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300007687442	0	45	-1.0	-52.80	372.86	5.22	-47.58
CCCCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007687443	0	40	-1.0	-44.41	359.32	6.53	-37.88
CCCCC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007687444	0	39	-1.0	-44.93	320.14	1.88	-43.05
CCCCC(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007687445	0	47	-1.0	-43.70	382.61	5.05	-38.65
CCCCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300007687446	0	41	-1.0	-55.44	355.07	5.08	-50.36
CCCCC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007687447	0	43	-1.0	-50.65	378.98	2.77	-47.88
CCCCC(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300007687448	0	38	-1.0	-50.49	353.68	6.01	-44.48
CCCCC(NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300007687449	0	46	-1.0	-51.65	371.04	5.02	-46.63
CCCCC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007687450	0	42	-1.0	-45.78	368.19	3.16	-42.62
CCCCC(NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300007687451	0	41	-1.0	-45.68	360.19	2.36	-43.32
CCCCC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007687452	0	45	-1.0	-48.72	394.79	4.39	-44.33
CCCCC(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007687453	0	39	-1.0	-45.54	343.67	3.76	-41.78
CCCCC(NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300007687454	0	52	-1.0	-43.62	399.82	9.24	-34.38
CCCCC(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007687455	0	41	-1.0	-53.04	342.82	4.60	-48.44
CCCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007687456	0	40	-1.0	-39.97	365.65	2.68	-37.29
CCCCC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007687457	0	43	-1.0	-44.81	361.32	8.26	-36.55
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300007687458	0	41	-1.0	-51.31	344.80	4.72	-46.59
CCCCC(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007687459	0	46	-1.0	-56.37	348.20	6.03	-50.34
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007687460	0	43	-1.0	-43.24	353.03	5.86	-37.38
CCCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007687462	0	42	-1.0	-46.31	366.48	5.88	-40.43
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300007687463	0	41	-1.0	-41.76	368.84	4.82	-36.94
CCCCC(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300007687464	0	40	-1.0	-56.58	348.61	5.97	-50.61
CCCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007687466	0	34	-1.0	-50.71	331.53	4.79	-45.92
CCCCC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007687467	0	47	-1.0	-56.98	387.12	7.82	-49.16
CCCCC(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007687468	0	45	-1.0	-56.25	380.24	5.26	-50.99
CCCCC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007687469	0	43	-1.0	-65.91	359.26	1.73	-64.18
CCCCC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007687470	0	37	-1.0	-53.13	335.91	5.05	-48.08
CCCCC(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007687471	0	39	-1.0	-55.28	346.90	3.78	-51.50
CCCCC(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007687472	0	44	-1.0	-41.22	339.21	6.01	-35.21
CCCCC(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300007687473	0	46	-1.0	-54.11	383.59	6.29	-47.82
CCCCC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007687474	0	45	-1.0	-58.77	371.11	1.69	-57.08
CCCCC(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007687475	0	43	-1.0	-45.00	347.92	5.69	-39.31
CCCCC(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300007687476	0	41	-1.0	-55.17	350.18	6.70	-48.47
CCCCC(NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007687477	0	42	-1.0	-59.61	360.89	6.38	-53.23
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007687478	0	34	-1.0	-50.68	315.25	5.06	-45.62
CCCCC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007687479	0	34	-1.0	-50.55	319.81	5.17	-45.38
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007687480	0	36	-1.0	-49.15	326.48	5.24	-43.91
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007687481	0	40	-1.0	-45.97	343.00	6.87	-39.10
CCCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007687482	0	36	-1.0	-50.82	326.50	5.24	-45.58
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300007687483	0	39	-1.0	-40.55	336.52	6.04	-34.51
CCCCC(NS(=O)(=O)C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007687484	0	38	-1.0	-53.06	328.00	3.84	-49.22
CCCCC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007687485	0	36	-1.0	-48.02	310.08	5.96	-42.06
CCCCC(NS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300007687486	0	41	-1.0	-40.43	350.12	6.11	-34.32
CCCCC(NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007687487	0	41	-1.0	-52.70	349.85	4.77	-47.93
CCCCC(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300007687488	0	46	-1.0	-44.93	360.05	7.29	-37.64
CCCCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300007687489	0	43	-1.0	-42.69	344.88	6.82	-35.87
CCCCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300007687490	0	49	-1.0	-43.30	386.68	7.75	-35.55
CCCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007687491	0	37	-1.0	-50.79	337.26	5.55	-45.24
CCCCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007687492	0	37	-1.0	-59.08	315.95	5.31	-53.77
CCCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007687493	0	34	-1.0	-50.89	315.01	5.09	-45.80
CCCCC(NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300007687494	0	39	-1.0	-53.08	339.51	4.98	-48.10
CCCCC(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007687495	0	40	-1.0	-60.23	353.74	5.31	-54.92
CCCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007687496	0	46	-1.0	-53.57	374.73	6.88	-46.69
CCCCC(NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300007687497	0	43	-1.0	-53.64	358.73	6.48	-47.16
CCCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007687498	0	45	-1.0	-55.02	393.03	2.61	-52.41
CCCCC(NS(=O)(=O)C1=CC=C(CCC)C=C1)C(=O)[O-]	REAL300007687499	0	43	-1.0	-53.68	362.92	6.77	-46.91
CCCCC(NS(=O)(=O)C1=CC=CC=C1OC)C(=O)[O-]	REAL300007687500	0	38	-1.0	-43.94	309.41	4.71	-39.23
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300007687501	0	38	-1.0	-50.85	348.14	4.54	-46.31
CCCCC(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300007687502	0	37	-1.0	-50.64	338.00	5.74	-44.90
CCCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300007687503	0	48	-1.0	-52.25	408.62	8.06	-44.19
CCCCC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007687504	0	38	-1.0	-50.67	344.26	4.36	-46.31
CCCCC(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300007687505	0	49	-1.0	-54.21	372.50	7.62	-46.59
CCCCC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007687506	0	43	-1.0	-53.15	361.29	4.48	-48.67
CCCCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300007687507	0	50	-1.0	-44.38	387.50	6.74	-37.64
CCCCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007687508	0	39	-1.0	-59.18	342.45	5.76	-53.42
CCCCC(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300007687509	0	38	-1.0	-40.61	332.41	5.02	-35.59
CCCCC(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300007687510	0	52	-1.0	-44.58	401.21	8.46	-36.12
CCCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007687511	0	37	-1.0	-49.87	336.97	5.57	-44.30
CCCCC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007687512	0	44	-1.0	-45.81	362.01	7.11	-38.70
CCCCC(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300007687513	0	42	-1.0	-44.68	340.76	3.71	-40.97
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300007687514	0	42	-1.0	-53.10	357.20	3.75	-49.35
CCCCC(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300007687515	0	41	-1.0	-55.14	344.05	6.45	-48.69
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007687516	0	42	-1.0	-45.84	353.70	7.02	-38.82
CCCCC(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007687517	0	39	-1.0	-53.08	334.19	4.42	-48.66
CCCCC(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300007687518	0	49	-1.0	-53.66	401.98	8.05	-45.61
CCCCC(NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300007687519	0	48	-1.0	-52.66	400.91	5.59	-47.07
CCCCC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007687520	0	39	-1.0	-56.70	352.53	-0.48	-57.18
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300007687521	0	42	-1.0	-41.09	353.69	6.57	-34.52
CCCCC(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300007687522	0	42	-1.0	-50.83	344.42	6.35	-44.48
CCCCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007687523	0	40	-1.0	-48.65	346.10	5.40	-43.25
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300007687524	0	38	-1.0	-53.91	343.32	4.95	-48.96
CCCCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007687525	0	39	-1.0	-49.21	353.19	-0.40	-49.61
CCCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007687526	0	46	-1.0	-48.48	406.05	2.43	-46.05
CCCCC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007687527	0	42	-1.0	-55.55	364.08	6.07	-49.48
CCCCC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007687528	0	43	-1.0	-52.08	345.56	5.46	-46.62
CCCCC(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300007687529	0	42	-1.0	-46.24	350.07	5.72	-40.52
CCCCC(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007687530	0	42	-1.0	-58.38	351.87	7.28	-51.10
CCCCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007687531	0	45	-1.0	-49.96	395.62	2.58	-47.38
CCCCC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007687532	0	46	-1.0	-66.45	384.99	3.92	-62.53
CCCCC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007687533	0	40	-1.0	-53.93	359.99	2.14	-51.79
CCCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007687534	0	44	-1.0	-56.30	361.07	8.33	-47.97
CCCCC(NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300007687535	0	45	-1.0	-54.59	337.84	4.72	-49.87
CCCCC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007687536	0	40	-1.0	-46.05	334.80	6.78	-39.27
CCCCC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007687537	0	44	-1.0	-54.41	372.68	7.95	-46.46
CCCCC(NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300007687538	0	37	-1.0	-40.13	314.68	5.44	-34.69
CCCCC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007687539	0	48	-1.0	-55.00	391.07	6.67	-48.33
CCCCC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007687540	0	35	-1.0	-55.77	323.45	2.95	-52.82
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007687541	0	38	-1.0	-40.66	327.85	4.92	-35.74
CCCCC(NS(=O)(=O)C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300007687542	0	38	-1.0	-45.40	328.80	3.91	-41.49
CCCCC(NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300007687543	0	49	-1.0	-53.55	388.96	7.34	-46.21
CCCCC(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300007687544	0	37	-1.0	-54.17	333.95	5.65	-48.52
CCCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300007687545	0	44	-1.0	-52.39	367.49	5.41	-46.98
CCCCC(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007687546	0	35	-1.0	-63.77	308.35	3.42	-60.35
CCCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007687547	0	39	-1.0	-44.21	355.34	7.12	-37.09
CCCCC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007687548	0	39	-1.0	-50.32	323.35	5.71	-44.61
CCCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007687549	0	45	-1.0	-54.33	404.01	7.94	-46.39
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300007687550	0	40	-1.0	-51.27	354.71	5.11	-46.16
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300007687551	0	38	-1.0	-51.05	334.19	3.91	-47.14
CCCCC(NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300007687552	0	37	-1.0	-54.51	324.96	5.27	-49.24
CCCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007687553	0	45	-1.0	-51.19	403.68	7.93	-43.26
CCCCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300007687554	0	49	-1.0	-52.38	416.45	6.69	-45.69
CCCCC(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300007687555	0	61	-1.0	-44.15	458.53	10.60	-33.55
CCCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300007687556	0	50	-1.0	-55.72	405.67	7.78	-47.94
CCCCC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007687557	0	37	-1.0	-40.12	353.54	6.27	-33.85
CCCCC(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300007687558	0	44	-1.0	-56.35	366.21	6.21	-50.14
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007687559	0	39	-1.0	-49.86	338.65	6.05	-43.81
CCCCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007687560	0	39	-1.0	-50.17	333.13	5.89	-44.28
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300007687561	0	42	-1.0	-59.68	355.21	6.91	-52.77
CCCCC(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300007687562	0	46	-1.0	-53.78	379.66	7.23	-46.55
CCCCC(NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300007687563	0	44	-1.0	-53.92	375.09	5.05	-48.87
CCCCC(NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300007687564	0	46	-1.0	-41.90	370.81	1.86	-40.04
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007687565	0	37	-1.0	-39.74	325.01	5.89	-33.85
CCCCC(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300007687566	0	44	-1.0	-44.73	370.62	5.47	-39.26
CCCCC(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300007687567	0	50	-1.0	-52.78	410.14	6.89	-45.89
CCCCC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007687568	0	48	-1.0	-52.25	393.14	6.76	-45.49
CCCCC(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300007687569	0	47	-1.0	-53.25	391.42	6.27	-46.98
CCCCC(NS(=O)(=O)C1=CC=C(OCCC)C=C1)C(=O)[O-]	REAL300007687570	0	44	-1.0	-53.22	371.32	5.57	-47.65
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300007687571	0	38	-1.0	-50.82	343.75	4.42	-46.40
CCCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007687572	0	38	-1.0	-52.11	353.75	4.67	-47.44
CCCCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300007687573	0	41	-1.0	-52.85	347.79	4.61	-48.24
CCCCC(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300007687574	0	47	-1.0	-52.51	387.57	6.16	-46.35
CCCCC(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300007687575	0	41	-1.0	-42.68	337.23	4.66	-38.02
CCCCC(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300007687576	0	45	-1.0	-55.56	383.20	4.06	-51.50
CCCCC(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300007687577	0	37	-1.0	-56.77	327.19	5.30	-51.47
CCCCC(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007687578	0	37	-1.0	-39.58	331.74	6.05	-33.53
CCCCC(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300007687579	0	42	-1.0	-50.04	347.87	7.48	-42.56
CCCCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300007687580	0	43	-1.0	-52.81	371.20	2.96	-49.85
CCCCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007687581	0	46	-1.0	-55.23	407.50	2.40	-52.83
CCCCC(NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300007687582	0	36	-1.0	-52.05	324.67	3.16	-48.89
CCCCC(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007687583	0	37	-1.0	-44.52	335.50	5.99	-38.53
CCCCC(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300007687584	0	38	-1.0	-50.19	334.19	3.91	-46.28
CCCCC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007687585	0	44	-1.0	-46.04	373.14	8.06	-37.98
CCCCC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007687586	0	37	-1.0	-54.89	355.54	6.25	-48.64
CCCCC(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300007687587	0	40	-1.0	-46.61	378.75	5.17	-41.44
CCCCC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007687588	0	54	-1.0	-51.92	432.83	8.19	-43.73
CCCCC(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300007687589	0	42	-1.0	-55.57	363.27	2.21	-53.36
CCCCC(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300007687590	0	44	-1.0	-44.61	354.42	5.41	-39.20
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007687591	0	45	-1.0	-54.45	382.48	8.68	-45.77
CCCCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300007687592	0	44	-1.0	-43.68	360.63	5.48	-38.20
CCCCC(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300007687593	0	42	-1.0	-55.17	344.62	5.76	-49.41
CCCCC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007687594	0	39	-1.0	-47.63	334.68	5.20	-42.43
CCCCC(NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007687595	0	39	-1.0	-54.01	347.16	5.40	-48.61
CCCCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007687596	0	41	-1.0	-53.13	369.18	5.25	-47.88
CCCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007687597	0	48	-1.0	-53.45	409.51	7.84	-45.61
CCCCC(NS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300007687598	0	42	-1.0	-58.98	361.60	5.82	-53.16
CCCCC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007687599	0	44	-1.0	-46.05	385.28	6.18	-39.87
CCCCC(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300007687600	0	37	-1.0	-61.99	327.49	3.83	-58.16
CCCCC(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300007687601	0	56	-1.0	-42.25	432.06	7.46	-34.79
CCCCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007687602	0	42	-1.0	-57.53	375.32	1.19	-56.34
CCCCC(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300007687603	0	37	-1.0	-41.98	324.70	5.33	-36.65
CCCCC(NS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300007687604	0	47	-1.0	-55.68	387.71	7.11	-48.57
CCCCC(NS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300007687605	0	44	-1.0	-44.19	350.16	6.14	-38.05
CCCCC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007687606	0	39	-1.0	-49.54	347.57	4.79	-44.75
CCCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007687607	0	41	-1.0	-48.23	357.61	5.71	-42.52
CCCCC(NS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300007687608	0	48	-1.0	-55.76	405.30	5.01	-50.75
CCCCCOC1=CC=C(S(=O)(=O)NC(CCCC)C(=O)[O-])C=C1	REAL300007687609	0	50	-1.0	-53.19	414.31	7.14	-46.05
CCCCC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007687610	0	44	-1.0	-44.00	349.56	7.13	-36.87
CCCCC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007687611	0	38	-1.0	-51.84	354.89	6.00	-45.84
CCCCC(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300007687612	0	39	-1.0	-43.83	335.29	3.92	-39.91
CCCCC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007687613	0	42	-1.0	-53.58	361.52	5.83	-47.75
CCCCC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007687614	0	39	-1.0	-58.89	346.52	4.75	-54.14
CCCCC(NS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300007687615	0	44	-1.0	-42.65	359.07	5.58	-37.07
CCCCC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007687616	0	38	-1.0	-55.74	334.22	4.65	-51.09
CCCCC(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300007687617	0	38	-1.0	-52.29	338.46	5.59	-46.70
CCCCC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007687618	0	40	-1.0	-41.76	357.35	6.28	-35.48
CCCCC(NS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300007687619	0	45	-1.0	-41.08	367.71	6.42	-34.66
CCCCC(NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300007687620	0	40	-1.0	-49.52	342.58	4.36	-45.16
CCCCC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007687621	0	40	-1.0	-47.65	341.46	4.26	-43.39
CCCCC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007687622	0	39	-1.0	-54.42	332.79	4.95	-49.47
CCCCC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007687623	0	46	-1.0	-56.24	393.44	6.57	-49.67
CCCCC(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300007687624	0	40	-1.0	-55.00	352.91	6.05	-48.95
CCCCC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007687625	0	40	-1.0	-45.40	369.87	5.31	-40.09
CCCCC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007687626	0	43	-1.0	-46.37	363.78	6.25	-40.12
CCCCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300007687627	0	42	-1.0	-50.71	364.83	4.26	-46.45
CCCCC(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300007687628	0	41	-1.0	-54.91	353.35	4.29	-50.62
CCCCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007687629	0	45	-1.0	-47.57	359.30	6.31	-41.26
CCCCC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007687630	0	37	-1.0	-55.62	335.46	5.71	-49.91
CCCCC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007687631	0	42	-1.0	-48.82	361.08	5.27	-43.55
CCCCC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007687632	0	37	-1.0	-46.56	348.54	6.20	-40.36
CCCCC(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007687633	0	42	-1.0	-53.06	355.29	5.18	-47.88
CCCCC(NS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300007687634	0	46	-1.0	-41.22	349.64	7.57	-33.65
CCCCC(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300007687635	0	46	-1.0	-60.36	380.16	3.33	-57.03
CCCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007687636	0	45	-1.0	-52.91	403.92	7.91	-45.00
CCCCC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007687637	0	40	-1.0	-47.89	348.01	5.86	-42.03
CCCCC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007687638	0	40	-1.0	-46.95	382.45	5.81	-41.14
CCCCC(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300007687639	0	43	-1.0	-55.32	374.64	3.64	-51.68
CCCCC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007687640	0	37	-1.0	-52.06	331.73	3.37	-48.69
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007687641	0	37	-1.0	-56.60	329.25	5.00	-51.60
CCCCC(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007687642	0	37	-1.0	-44.76	325.35	3.29	-41.47
CCCCC(NS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300007687643	0	37	-1.0	-44.05	326.48	1.32	-42.73
CCCCC(NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300007687644	0	38	-1.0	-56.39	321.26	3.81	-52.58
CCCCC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007687645	0	42	-1.0	-53.64	352.22	5.18	-48.46
CCCCC(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300007687646	0	44	-1.0	-47.02	379.01	6.38	-40.64
CCCCC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007687647	0	42	-1.0	-45.02	373.08	5.74	-39.28
CCCCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300007687648	0	39	-1.0	-49.06	342.45	5.75	-43.31
CCCCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300007687649	0	45	-1.0	-58.33	386.83	5.32	-53.01
CCCCC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007687650	0	36	-1.0	-47.54	331.29	4.11	-43.43
CCCCC(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007687651	0	42	-1.0	-55.65	351.02	4.97	-50.68
CCCCC(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300007687652	0	43	-1.0	-54.89	365.75	7.47	-47.42
CCCCC(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300007687653	0	35	-1.0	-59.49	308.97	2.87	-56.62
CCCCC(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007687654	0	42	-1.0	-55.03	351.03	4.97	-50.06
CCCCC(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300007687655	0	39	-1.0	-49.24	335.60	4.44	-44.80
CCCCC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007687656	0	39	-1.0	-57.59	345.24	4.61	-52.98
CCCCC(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300007687657	0	39	-1.0	-45.08	332.84	4.42	-40.66
CCCCC(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007687658	0	40	-1.0	-54.99	360.36	6.55	-48.44
CCCCC(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007687659	0	46	-1.0	-54.35	372.69	5.10	-49.25
CCCCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007687660	0	36	-1.0	-40.91	331.77	3.83	-37.08
CCCCC(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300007687661	0	42	-1.0	-62.70	350.74	5.11	-57.59
CCCCC(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007687662	0	42	-1.0	-49.50	355.03	6.56	-42.94
CCCCC(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300007687663	0	42	-1.0	-51.65	350.62	7.78	-43.87
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300007687664	0	42	-1.0	-42.65	355.84	6.51	-36.14
CCCCC(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007687665	0	44	-1.0	-56.09	372.89	5.35	-50.74
CCCCC(NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300007687666	0	37	-1.0	-52.09	322.96	2.03	-50.06
CCCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007687667	0	43	-1.0	-54.23	372.00	6.25	-47.98
CCCCC(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300007687668	0	41	-1.0	-44.47	348.52	6.72	-37.75
CCCCC(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300007687669	0	42	-1.0	-46.95	356.02	3.19	-43.76
CCCCC(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300007687670	0	46	-1.0	-40.61	360.57	6.23	-34.38
CCCCC(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300007687671	0	40	-1.0	-42.40	336.57	4.10	-38.30
CCCCC(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300007687672	0	37	-1.0	-57.86	327.20	4.93	-52.93
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300007687673	0	38	-1.0	-50.14	344.00	4.40	-45.74
CCCCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007687674	0	42	-1.0	-61.83	347.16	6.13	-55.70
CCCCC(NS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300007687675	0	46	-1.0	-54.50	375.29	7.13	-47.37
CCCCC(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007687676	0	42	-1.0	-39.12	351.52	6.80	-32.32
CCCCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300007687677	0	44	-1.0	-46.82	355.43	6.12	-40.70
CCCCC(NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300007687678	0	37	-1.0	-43.61	330.00	4.99	-38.62
CCCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007687679	0	35	-1.0	-50.74	320.16	2.53	-48.21
CCCCC(NS(=O)(=O)C1=CN=C(CC)S1)C(=O)[O-]	REAL300007687680	0	36	-1.0	-41.99	327.05	3.21	-38.78
CCCCC(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007687681	0	41	-1.0	-47.38	347.70	4.49	-42.89
CCCCC(NS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300007687682	0	37	-1.0	-54.11	323.99	4.89	-49.22
CCCCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007687683	0	40	-1.0	-60.76	343.83	6.06	-54.70
CCCCC(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007687684	0	37	-1.0	-55.20	325.81	3.24	-51.96
CCCCC(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300007687685	0	40	-1.0	-42.19	346.32	5.96	-36.23
CCCCC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007687686	0	41	-1.0	-50.53	355.30	4.37	-46.16
CCCCC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007687687	0	36	-1.0	-58.75	329.79	4.11	-54.64
CCCCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007687688	0	37	-1.0	-55.67	338.85	5.77	-49.90
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300007687689	0	37	-1.0	-50.68	333.97	5.64	-45.04
CCCCC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007687690	0	40	-1.0	-53.00	347.41	5.61	-47.39
CCCCC(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300007687691	0	43	-1.0	-54.25	384.48	6.04	-48.21
CCCCC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007687692	0	42	-1.0	-58.88	348.12	5.75	-53.13
CCCCC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007687693	0	41	-1.0	-47.32	362.15	2.44	-44.88
CCCCC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007687694	0	43	-1.0	-51.00	360.96	4.99	-46.01
CCCCC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007687695	0	37	-1.0	-41.75	338.17	5.77	-35.98
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(CCCC)C(=O)[O-])C=C1	REAL300007687696	0	59	-1.0	-53.03	478.81	9.48	-43.55
CCCCC(NS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300007687697	0	47	-1.0	-53.76	388.55	6.21	-47.55
CCCCC(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300007687698	0	47	-1.0	-41.08	371.64	4.87	-36.21
CCCCC(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300007687699	0	50	-1.0	-55.80	390.05	5.56	-50.24
CCCCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007687700	0	48	-1.0	-51.83	415.95	7.89	-43.94
CCCCC(NS(=O)(=O)CC(OCC)C1CC1)C(=O)[O-]	REAL300007687701	0	44	-1.0	-58.08	362.45	4.83	-53.25
CCCCC(NS(=O)(=O)C1=CC=C(OCCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007687702	0	53	-1.0	-53.76	429.94	7.60	-46.16
CCCCC(NS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300007687703	0	47	-1.0	-56.33	387.83	6.91	-49.42
CCCCC(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007687704	0	37	-1.0	-51.34	338.89	4.11	-47.23
CCCCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007687705	0	42	-1.0	-50.35	358.96	6.91	-43.44
CCCCC(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007687706	0	41	-1.0	-50.44	342.27	4.35	-46.09
CCCCC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007687707	0	47	-1.0	-53.52	396.22	6.66	-46.86
CCCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007687708	0	37	-1.0	-42.24	339.89	3.28	-38.96
CCCCC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007687709	0	45	-1.0	-53.08	399.12	8.64	-44.44
CCCCC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007687710	0	44	-1.0	-58.24	363.16	7.91	-50.33
CCCCC(NS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300007687711	0	47	-1.0	-55.36	381.56	6.17	-49.19
CCCCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007687712	0	40	-1.0	-49.73	369.48	6.44	-43.29
CCCCC(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007687713	1	36	-1.0	-61.29	326.82	3.58	-57.71
CCCCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300007687714	0	43	-1.0	-48.30	349.51	7.68	-40.62
CCCCC(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300007687715	0	43	-1.0	-42.64	366.21	3.15	-39.49
CCCCC(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300007687716	0	38	-1.0	-52.16	332.41	4.69	-47.47
CCCCC(NS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007687717	0	50	-1.0	-54.25	408.45	6.80	-47.45
CCCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007687718	0	46	-1.0	-53.81	376.46	6.82	-46.99
CCCCC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007687719	0	53	-1.0	-56.68	423.98	9.06	-47.62
CCCCC(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007687720	0	44	-1.0	-50.12	354.57	4.62	-45.50
CCCCC(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007687721	0	46	-1.0	-44.76	360.96	5.12	-39.64
CCCCC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007687722	0	44	-1.0	-48.09	366.70	4.98	-43.11
CCCCC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007687723	0	37	-1.0	-40.56	327.64	3.40	-37.16
CCCCC(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007687724	0	41	-1.0	-46.40	356.20	4.73	-41.67
C=CCCC1=CC=C(S(=O)(=O)NC(CCCC)C(=O)[O-])C=C1	REAL300007687725	0	44	-1.0	-53.69	375.73	7.32	-46.37
CCCCC(NS(=O)(=O)C1=CN(C)N=C1CC)C(=O)[O-]	REAL300007687726	0	40	-1.0	-46.73	336.00	3.59	-43.14
CCCCOC1=CC=C(S(=O)(=O)NC(CCCC)C(=O)[O-])C=C1C(C)C	REAL300007687727	0	56	-1.0	-51.87	451.20	8.40	-43.47
CCCCC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007687728	0	38	-1.0	-43.36	347.93	6.32	-37.04
CCCCC(NS(=O)(=O)C1=CC=C(OCCC)C(C(C)(C)C)=C1)C(=O)[O-]	REAL300007687729	0	56	-1.0	-54.07	442.52	8.26	-45.81
CCCCC(NS(=O)(=O)C1=CC=C(OCCC)C(CC)=C1)C(=O)[O-]	REAL300007687730	0	50	-1.0	-53.47	413.02	7.06	-46.41
CCCCC(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300007687731	0	40	-1.0	-39.79	339.23	6.56	-33.23
CCCCC(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007687732	0	40	-1.0	-55.05	358.97	6.47	-48.58
CCCCC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007687733	0	38	-1.0	-53.97	345.63	6.22	-47.75
CCCCC(NS(=O)(=O)C1=CC=CC=C1CCC)C(=O)[O-]	REAL300007687734	0	43	-1.0	-55.80	348.25	7.01	-48.79
CCCCC(NS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300007687735	0	37	-1.0	-46.04	308.81	1.74	-44.30
CCCCC(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007687736	0	50	-1.0	-51.99	412.99	7.31	-44.68
CCCCC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007687737	0	39	-1.0	-50.77	335.75	5.16	-45.61
CCCCC(NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300007687738	0	37	-1.0	-40.25	317.30	5.21	-35.04
CCCCC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007687739	0	41	-1.0	-54.76	349.26	4.24	-50.52
CCCCC(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007687740	0	41	-1.0	-44.07	341.38	4.33	-39.74
CCCCC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007687741	0	44	-1.0	-42.06	353.02	4.92	-37.14
CCCCC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007687742	0	45	-1.0	-45.62	359.71	2.51	-43.11
CCCCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007687743	0	40	-1.0	-52.73	365.92	5.50	-47.23
CCCCC(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007687744	0	41	-1.0	-47.35	338.59	4.57	-42.78
CCCCCOC1=CC=C(S(=O)(=O)NC(CCCC)C(=O)[O-])C=C1C(C)C	REAL300007687745	0	59	-1.0	-53.75	472.94	9.16	-44.59
CCCCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300007687746	0	50	-1.0	-57.73	391.03	6.00	-51.73
CCCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300007687747	0	44	-1.0	-42.34	360.23	6.14	-36.20
CCCCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300007687748	0	42	-1.0	-58.94	355.22	5.24	-53.70
CCCCC(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007687749	0	42	-1.0	-43.31	365.71	4.28	-39.03
CCCCC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007687750	0	40	-1.0	-46.60	349.81	5.22	-41.38
CCCCC(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300007687751	0	39	-1.0	-64.20	339.67	4.17	-60.03
CCCCC(NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300007687752	0	43	-1.0	-53.29	341.37	4.42	-48.87
CCCCC(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300007687753	0	35	-1.0	-49.67	313.03	3.35	-46.32
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007687754	0	37	-1.0	-46.39	335.89	6.04	-40.35
CCCCC(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007687755	0	41	-1.0	-46.31	349.78	4.38	-41.93
CCCCC(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300007687756	0	43	-1.0	-42.30	348.65	6.82	-35.48
CCCCC(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300007687757	0	42	-1.0	-54.80	355.14	4.48	-50.32
CCCCC(NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007687758	0	37	-1.0	-45.65	314.31	4.40	-41.25
CCCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007687759	0	47	-1.0	-50.84	373.89	4.97	-45.87
CCCCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300007687760	0	46	-1.0	-51.51	374.09	5.02	-46.49
CCCCC(NS(=O)(=O)C1=CN(CCCC)N=C1C)C(=O)[O-]	REAL300007687761	0	46	-1.0	-47.06	387.46	5.29	-41.77
CCCCC(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007687762	0	41	-1.0	-47.42	354.78	4.45	-42.97
CCCCC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007687763	0	38	-1.0	-55.65	337.74	4.12	-51.53
CCCCC(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007687764	0	39	-1.0	-55.31	343.82	3.03	-52.28
CCCCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300007687765	0	40	-1.0	-40.64	347.33	6.55	-34.09
CCCCC(NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300007687766	0	45	-1.0	-53.75	352.66	4.93	-48.82
CCCCC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007687767	0	40	-1.0	-49.52	367.26	5.72	-43.80
CCCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007687768	0	44	-1.0	-53.70	367.66	4.78	-48.92
CCCCC(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300007687769	0	52	-1.0	-42.93	404.56	8.50	-34.43
CCCCC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007687770	0	40	-1.0	-50.52	369.49	6.44	-44.08
CCCCC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007687771	0	44	-1.0	-46.87	373.29	5.27	-41.60
CCCCC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007687772	0	38	-1.0	-44.82	336.04	5.82	-39.00
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007687773	0	45	-1.0	-41.19	376.94	7.58	-33.61
CCCCC(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007687774	0	43	-1.0	-72.14	362.18	5.94	-66.20
CCCCC(NS(=O)(=O)C1=CC=CC(CCC)=C1)C(=O)[O-]	REAL300007687775	0	43	-1.0	-53.77	362.67	6.78	-46.99
CCCCC(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007687776	0	41	-1.0	-51.06	341.95	4.09	-46.97
CCCCC(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007687777	0	43	-1.0	-43.41	342.78	4.27	-39.14
CCCCC(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007687778	0	43	-1.0	-46.22	363.82	4.33	-41.89
CCCCC(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007687779	0	41	-1.0	-44.78	347.21	3.63	-41.15
CCCCC(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007687780	0	39	-1.0	-47.14	349.27	4.38	-42.76
CCCCC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007687781	0	37	-1.0	-39.22	344.44	5.69	-33.53
CCCCC(NS(=O)(=O)C1=CC=CC(C(=O)CCC)=C1)C(=O)[O-]	REAL300007687782	0	45	-1.0	-58.45	382.86	6.60	-51.85
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007687783	0	45	-1.0	-55.91	367.84	7.64	-48.27
CCCCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007687784	0	40	-1.0	-51.64	361.72	5.61	-46.03
CCCCC(NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007687785	0	40	-1.0	-45.09	340.59	5.05	-40.04
CCCCC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007687786	0	34	-1.0	-41.46	313.36	4.85	-36.61
CCCCC(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300007687787	0	41	-1.0	-53.60	347.79	6.65	-46.95
CCCCC(NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300007687788	0	35	-1.0	-41.88	308.00	3.19	-38.69
CCCCC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007687789	0	44	-1.0	-44.87	364.12	5.24	-39.63
CCCCC(NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300007687790	0	43	-1.0	-51.28	349.44	4.00	-47.28
CCCCC(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007687791	0	48	-1.0	-40.47	363.48	5.44	-35.03
CCCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007687792	0	48	-1.0	-47.22	397.00	3.78	-43.44
CCCCC(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007687793	0	40	-1.0	-52.05	351.50	6.10	-45.95
CCCCC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007687794	0	38	-1.0	-53.37	337.77	4.13	-49.24
CCCCC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007687795	0	49	-1.0	-41.20	394.06	7.34	-33.86
CCCCC(NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300007687796	0	35	-1.0	-52.59	322.73	3.04	-49.55
CCCCC(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007687797	0	45	-1.0	-52.95	368.05	6.93	-46.02
CCCCC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007687798	0	42	-1.0	-52.84	335.47	3.98	-48.86
CCCCC(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300007687799	0	37	-1.0	-45.33	331.97	3.33	-42.00
CCCCC(NS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300007687800	0	44	-1.0	-54.88	375.20	5.25	-49.63
CCCCC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007687801	0	44	-1.0	-47.18	375.70	5.80	-41.38
CCCCC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007687802	0	47	-1.0	-46.17	383.43	5.54	-40.63
CCCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007687803	0	45	-1.0	-52.09	386.91	7.42	-44.67
CCCCC(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300007687804	0	37	-1.0	-57.53	315.63	5.58	-51.95
CCCCC(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300007687805	0	40	-1.0	-42.56	356.99	6.36	-36.20
CCCCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300007687806	0	43	-1.0	-57.63	355.26	7.37	-50.26
CCCCC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007687807	0	44	-1.0	-49.44	366.80	5.83	-43.61
CCCCC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007687808	0	38	-1.0	-53.20	337.80	5.86	-47.34
CCCCC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007687809	0	38	-1.0	-43.34	352.50	6.42	-36.92
CCCCC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007687810	0	38	-1.0	-52.85	352.92	6.40	-46.45
CCCCC(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007687811	0	39	-1.0	-41.39	337.73	-1.50	-42.89
CCCCC(NS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300007687812	0	37	-1.0	-57.44	320.42	4.71	-52.73
CCCCC(NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300007687813	0	40	-1.0	-55.82	329.10	4.83	-50.99
CCCCC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007687814	0	36	-1.0	-53.10	329.39	3.93	-49.17
CCCCC(NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300007687815	0	42	-1.0	-54.99	353.19	1.74	-53.25
CCCCC(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007687816	0	43	-1.0	-59.68	371.02	4.17	-55.51
CCCCC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007687817	0	51	-1.0	-41.69	371.53	7.42	-34.27
CCCCC(NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300007687818	0	44	-1.0	-60.35	358.94	3.71	-56.64
CCCCC(NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300007687819	0	37	-1.0	-45.33	328.86	0.27	-45.06
CCCCC(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007687820	0	42	-1.0	-46.68	336.86	5.04	-41.64
CCCCC(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007687821	0	42	-1.0	-54.58	368.26	1.39	-53.19
CCCCC(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007687822	0	47	-1.0	-42.83	372.13	4.94	-37.89
CCCCC(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300007687823	0	44	-1.0	-55.45	368.89	6.84	-48.61
CCCCC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007687824	0	38	-1.0	-63.58	346.10	3.59	-59.99
CCCCC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007687825	0	44	-1.0	-57.41	380.30	7.40	-50.01
CCCCC(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007687826	0	43	-1.0	-43.07	348.44	1.99	-41.08
CCCCC(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007687827	0	47	-1.0	-40.96	361.88	6.53	-34.43
CCCCC(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007687828	0	38	-1.0	-54.44	342.77	5.91	-48.53
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007687829	0	56	-1.0	-55.00	427.89	8.73	-46.27
CCCCC(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007687830	0	45	-1.0	-54.42	371.93	5.58	-48.84
CCCCC(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300007687831	0	39	-1.0	-56.92	339.43	1.96	-54.96
CCCCC(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300007687832	0	46	-1.0	-53.89	357.61	4.95	-48.94
CCCCC(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007687833	0	45	-1.0	-40.12	367.58	6.24	-33.88
CCCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007687834	0	38	-1.0	-53.22	347.29	5.41	-47.81
CCCCC(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007687835	0	38	-1.0	-43.84	334.59	4.16	-39.68
CCCCC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007687836	0	38	-1.0	-56.38	343.71	4.21	-52.17
CCCCC(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007687837	0	40	-1.0	-52.56	342.60	4.47	-48.09
CCCCC(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300007687838	0	41	-1.0	-51.01	353.01	6.39	-44.62
CCCCC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007687839	0	43	-1.0	-42.75	378.17	5.11	-37.64
CCCCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007687840	0	47	-1.0	-54.99	387.24	6.88	-48.11
CCCCC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007687841	0	45	-1.0	-53.44	387.21	7.38	-46.06
CCCCC(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007687842	0	40	-1.0	-45.88	329.18	6.38	-39.50
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007687843	0	35	-1.0	-44.49	338.75	3.32	-41.17
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CCCC)C(=O)[O-])=C1	REAL300007687844	0	45	-1.0	-54.06	382.16	6.18	-47.88
CCCCC(NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300007687845	0	44	-1.0	-48.11	376.81	5.34	-42.77
CCCCC(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300007687846	0	38	-1.0	-64.14	337.71	3.98	-60.16
CCCCC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007687847	0	40	-1.0	-52.69	360.85	7.34	-45.35
CCCCC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007687848	0	44	-1.0	-44.75	390.22	8.56	-36.19
CCCCC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007687849	0	33	-1.0	-47.27	317.15	3.40	-43.87
CCCCC(NS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300007687850	0	40	-1.0	-50.57	357.28	6.44	-44.13
CCCCC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007687851	0	47	-1.0	-49.92	385.99	5.77	-44.15
CCCCC(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007687852	0	31	-1.0	-38.79	305.94	4.13	-34.66
CCCCC(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300007687853	0	48	-1.0	-43.57	386.07	5.20	-38.37
CCCCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007687854	0	40	-1.0	-54.77	355.61	7.34	-47.43
CCCCC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007687855	0	42	-1.0	-46.94	344.87	2.24	-44.70
CCCCC(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300007687856	0	41	-1.0	-43.81	340.01	6.78	-37.03
CCCCC(NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300007687857	0	45	-1.0	-41.90	351.74	4.72	-37.18
CCCCC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007687858	0	49	-1.0	-52.88	400.15	4.95	-47.93
CCCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300007687859	0	37	-1.0	-42.56	339.32	2.26	-40.30
CCCCC(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300007687860	0	40	-1.0	-50.22	345.90	1.96	-48.26
CCCCC(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300007687861	0	43	-1.0	-45.06	360.00	4.74	-40.32
CCCCC(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300007687862	0	43	-1.0	-47.34	363.05	4.32	-43.02
CCCCC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007687863	0	44	-1.0	-38.98	351.34	2.12	-36.86
CCCCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007687864	0	39	-1.0	-39.99	347.42	6.70	-33.29
CCCCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007687865	0	45	-1.0	-47.09	369.43	4.95	-42.14
CCCCC(NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300007687866	0	40	-1.0	-44.31	341.01	3.90	-40.41
CCCCC(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007687867	0	41	-1.0	-49.40	348.07	4.76	-44.64
CCCCC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007687868	0	41	-1.0	-45.80	348.49	5.60	-40.20
CCCCC(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300007687869	0	36	-1.0	-48.63	327.49	3.56	-45.07
CCCCC(NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300007687870	0	39	-1.0	-63.78	332.95	4.93	-58.85
CCCCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300007687871	0	43	-1.0	-44.57	355.97	4.21	-40.36
CCCCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300007687872	0	48	-1.0	-52.46	407.32	8.11	-44.35
CCCCC(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007687873	0	39	-1.0	-61.34	331.19	5.46	-55.88
CCCCC(NS(=O)(=O)C1=NC=C(C)C=C1C)C(=O)[O-]	REAL300007687874	0	39	-1.0	-49.17	331.73	4.22	-44.95
CCCCC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007687875	0	37	-1.0	-38.93	329.83	4.33	-34.60
CCCCC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007687876	0	42	-1.0	-46.66	348.63	0.27	-46.39
CCCCC(NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300007687877	0	41	-1.0	-43.71	330.21	2.76	-40.95
CCCCC(NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300007687878	0	40	-1.0	-40.56	337.61	4.11	-36.45
CCCCC(NS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300007687879	0	37	-1.0	-56.40	323.81	1.99	-54.41
CCCCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300007687880	0	41	-1.0	-45.21	343.86	5.21	-40.00
CCCCC(NS(=O)(=O)C1=CC=C(OC)C=N1)C(=O)[O-]	REAL300007687881	0	37	-1.0	-46.09	322.45	1.92	-44.17
CCCCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300007687882	0	40	-1.0	-52.01	363.45	2.79	-49.22
CCCCC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300007687883	0	39	-1.0	-45.34	330.44	4.88	-40.46
CCCCC(NS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300007687884	0	40	-1.0	-61.49	341.59	3.85	-57.64
CCCCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007687885	0	42	-1.0	-62.46	355.94	5.88	-56.58
CCCCC(NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007687886	0	38	-1.0	-48.36	317.80	4.08	-44.28
CCCCC(NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300007687887	0	36	-1.0	-44.14	312.86	3.04	-41.10
CCCCC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300007687888	0	36	-1.0	-61.38	328.68	3.57	-57.81
CCCCC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007687889	0	41	-1.0	-45.33	356.89	5.07	-40.26
CCCCC(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300007687890	0	47	-1.0	-46.78	387.69	6.67	-40.11
CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC=C1	REAL300007687891	0	39	-1.0	-55.51	340.52	7.30	-48.21
CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC(F)=C1	REAL300007687892	0	39	-1.0	-55.96	348.63	7.37	-48.59
CC(=O)C1=CC=CC(S(=O)(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300007687893	0	44	-1.0	-62.33	382.71	7.69	-54.64
CN(C)S(=O)(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300007687894	0	37	-1.0	-55.46	319.18	4.42	-51.04
CCCCN(C)S(=O)(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300007687895	0	46	-1.0	-54.95	379.00	6.78	-48.17
CCCCS(=O)(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300007687896	0	41	-1.0	-57.42	348.52	6.59	-50.83
CCCS(=O)(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300007687897	0	38	-1.0	-57.38	327.02	5.81	-51.57
CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)C1=CC=CS1	REAL300007687898	0	36	-1.0	-55.30	332.51	6.30	-49.00
CCC(C)C1=CC=C(S(=O)(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300007687899	0	51	-1.0	-54.67	419.58	9.80	-44.87
CC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)S1	REAL300007687900	0	39	-1.0	-55.35	354.39	7.10	-48.25
CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)C1=CC=C(Cl)S1	REAL300007687901	0	36	-1.0	-54.23	351.21	6.93	-47.30
COC1=CC=C(C)C=C1S(=O)(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300007687902	0	46	-1.0	-57.26	384.47	7.82	-49.44
CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)N1CCOCC1	REAL300007687903	0	42	-1.0	-55.91	352.03	4.07	-51.84
CC1=CC(Cl)=CC=C1S(=O)(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300007687904	0	42	-1.0	-54.22	365.66	8.13	-46.09
CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)C1=CN(C)N=C1	REAL300007687905	0	39	-1.0	-58.07	345.12	5.01	-53.06
CCN(CC)S(=O)(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300007687906	0	43	-1.0	-55.34	357.77	6.13	-49.21
CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)N(C)C1CCCCC1	REAL300007687907	0	50	-1.0	-54.95	396.92	7.63	-47.32
CC1=NN(C)C(C)=C1S(=O)(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300007687908	0	45	-1.0	-57.75	376.07	6.27	-51.48
CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007687909	0	45	-1.0	-57.35	385.07	6.46	-50.89
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CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)CCOCC1CCCC1	REAL300007687969	0	52	-1.0	-52.38	424.84	7.54	-44.84
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CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007687973	0	46	-1.0	-61.16	386.35	7.34	-53.82
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CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)CC1(C)CCCCC1	REAL300007687975	0	51	-1.0	-49.26	389.88	8.56	-40.70
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CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007687979	0	50	-1.0	-61.43	423.61	8.07	-53.36
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CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)CC1CC(F)(F)C1	REAL300007687986	0	42	-1.0	-51.70	365.40	7.03	-44.67
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CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)CCC1CCOC1	REAL300007687988	0	46	-1.0	-59.69	380.98	5.84	-53.85
CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)CC1CCCCC1(F)F	REAL300007687989	0	48	-1.0	-55.45	393.06	8.48	-46.97
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CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300007687996	0	44	-1.0	-60.25	377.48	8.27	-51.98
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CN(CC1=CC=C(OCC(=O)[O-])C=C1)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007687998	0	41	-1.0	-71.84	359.83	9.00	-62.84
CC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300007687999	0	42	-1.0	-55.28	362.39	7.87	-47.41
CCOC1=CC=C(S(=O)(=O)N(C)CC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300007688000	0	46	-1.0	-55.35	392.32	7.43	-47.92
C=CCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300007689995	0	33	-1.0	-56.13	297.41	4.97	-51.16
C=CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1	REAL300007689996	0	34	-1.0	-49.51	331.99	6.78	-42.73
C=CCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300007689997	0	40	-1.0	-59.12	350.38	5.26	-53.86
C=CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300007689998	0	40	-1.0	-49.32	359.07	1.96	-47.36
C=CCN(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007689999	0	47	-1.0	-42.65	353.95	6.66	-35.99
C=CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300007690000	0	37	-1.0	-53.51	322.36	6.60	-46.91
CCC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007707377	0	38	-1.0	-45.01	321.55	4.06	-40.95
CCC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300007707378	0	45	-1.0	-61.83	377.96	4.22	-57.61
CCC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300007707379	0	45	-1.0	-57.15	377.20	1.06	-56.09
CCC(C)C(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007707380	0	42	-1.0	-53.49	348.42	5.42	-48.07
CCC(C)C(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007707381	0	42	-1.0	-50.65	349.79	6.02	-44.63
CCC(C)C(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007707382	0	45	-1.0	-44.98	361.49	2.64	-42.34
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300007707383	0	48	-1.0	-46.07	408.98	5.26	-40.81
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300007707384	0	48	-1.0	-60.12	404.70	5.39	-54.73
CCCN1C=NC(S(=O)(=O)NC(C(=O)[O-])C(C)CC)=C1	REAL300007707385	0	40	-1.0	-61.45	332.37	5.09	-56.36
CCC(C)C(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007707386	0	50	-1.0	-57.08	389.60	5.52	-51.56
CCC(C)C(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007707387	0	41	-1.0	-51.60	357.14	4.44	-47.16
CCC(C)C(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007707388	0	42	-1.0	-51.72	347.67	1.91	-49.81
CCC(C)C(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300007707389	0	38	-1.0	-52.01	339.74	4.06	-47.95
CCC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007707390	0	38	-1.0	-55.32	331.70	4.25	-51.07
CCC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300007707391	0	40	-1.0	-40.86	342.75	4.91	-35.95
CCC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300007707392	0	40	-1.0	-50.98	339.41	5.79	-45.19
CCC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300007707393	0	40	-1.0	-56.13	340.31	6.06	-50.07
CCC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007707394	0	40	-1.0	-50.74	340.49	5.60	-45.14
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300007707395	0	43	-1.0	-59.03	334.14	5.77	-53.26
CCOC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)CC)=C1	REAL300007707396	0	41	-1.0	-45.04	340.96	4.47	-40.57
CCC(C)C(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300007707397	0	41	-1.0	-54.76	349.50	1.77	-52.99
CCC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007707398	0	41	-1.0	-46.65	351.75	4.71	-41.94
CCC(C)C(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007707399	0	42	-1.0	-41.28	358.34	6.27	-35.01
CCC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007707400	0	39	-1.0	-56.74	327.31	4.43	-52.31
CCC(C)C(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007707401	0	37	-1.0	-41.61	326.89	5.38	-36.23
CCC(C)C(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007707402	0	37	-1.0	-45.41	326.53	5.39	-40.02
CCC(C)C(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007707403	0	41	-1.0	-55.36	348.96	1.96	-53.40
CCC(C)C(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300007707404	0	37	-1.0	-53.36	331.63	5.42	-47.94
CCC(C)C(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007707405	0	37	-1.0	-51.90	319.15	5.56	-46.34
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300007707406	0	41	-1.0	-54.56	333.59	4.19	-50.37
CCC(C)C(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300007707407	0	38	-1.0	-40.56	337.14	4.13	-36.43
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300007707408	0	42	-1.0	-46.10	360.65	3.85	-42.25
CCC(C)C(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007707409	0	37	-1.0	-53.78	335.49	3.24	-50.54
CCC(C)C(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007707410	0	37	-1.0	-56.99	330.69	3.03	-53.96
CCC(C)C(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007707411	0	45	-1.0	-54.49	368.28	5.44	-49.05
CCC(C)C(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007707412	0	37	-1.0	-45.83	328.16	3.27	-42.56
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1	REAL300007707413	0	46	-1.0	-53.40	395.24	3.47	-49.93
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007707414	0	38	-1.0	-46.58	327.54	5.33	-41.25
CCC(C)C(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007707415	0	42	-1.0	-40.39	366.18	0.94	-39.45
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007707416	0	45	-1.0	-68.90	364.69	4.27	-64.63
CCC(C)C(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300007707417	0	45	-1.0	-42.04	391.94	1.92	-40.12
CCC1=CC=C(CS(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1	REAL300007707418	0	43	-1.0	-57.52	351.86	6.26	-51.26
CCC(C)C(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007707419	0	37	-1.0	-43.46	325.64	4.79	-38.67
CCC(C)C(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007707420	0	49	-1.0	-47.50	405.27	4.68	-42.82
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007707421	0	46	-1.0	-60.55	375.12	3.62	-56.93
CCC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300007707422	0	43	-1.0	-58.45	367.55	2.51	-55.94
CCC(C)C(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300007707423	0	44	-1.0	-49.04	375.92	1.47	-47.57
CCC(C)C(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007707424	0	43	-1.0	-43.76	344.01	5.97	-37.79
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1Br	REAL300007707425	0	41	-1.0	-41.27	358.99	5.06	-36.21
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007707426	0	48	-1.0	-49.59	399.70	7.30	-42.29
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007707427	0	38	-1.0	-54.47	341.32	4.71	-49.76
CCC(C)C(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300007707428	0	41	-1.0	-57.51	358.74	4.73	-52.78
CCC(C)C(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007707429	0	48	-1.0	-45.75	397.34	6.04	-39.71
CCC(C)C(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300007707430	0	41	-1.0	-45.74	354.60	5.18	-40.56
CCC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007707431	0	46	-1.0	-45.23	375.06	5.63	-39.60
CCC(C)C(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300007707432	0	41	-1.0	-47.85	349.85	-1.14	-48.99
CCC(C)C(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007707433	0	40	-1.0	-48.32	345.28	5.52	-42.80
CCC(C)C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007707434	0	37	-1.0	-44.04	343.06	6.09	-37.95
CCC(C)C(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007707435	0	40	-1.0	-58.19	354.57	7.02	-51.17
CCC(C)C(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007707436	0	37	-1.0	-53.10	340.61	6.00	-47.10
CCC(C)C(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007707437	0	40	-1.0	-44.88	341.80	6.86	-38.02
CCC(C)C(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007707438	0	40	-1.0	-41.41	348.39	5.96	-35.45
CCC(C)C(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007707439	0	45	-1.0	-57.37	366.37	5.44	-51.93
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007707440	0	48	-1.0	-57.55	401.68	7.49	-50.06
CCC(C)C(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007707441	0	47	-1.0	-46.98	394.79	5.73	-41.25
CCC(C)C(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007707442	0	45	-1.0	-46.57	386.00	1.18	-45.39
CCC(C)C(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300007707443	0	43	-1.0	-56.86	357.41	7.13	-49.73
CCC(C)C(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300007707444	0	45	-1.0	-42.67	362.27	4.83	-37.84
CCC(C)C(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007707445	0	40	-1.0	-57.79	346.68	6.04	-51.75
CCC(C)C(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007707446	0	39	-1.0	-45.06	308.26	1.40	-43.66
CCC(C)C(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007707447	0	47	-1.0	-53.56	373.53	4.62	-48.94
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300007707448	0	41	-1.0	-56.89	348.26	4.77	-52.12
CCC(C)C(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007707449	0	43	-1.0	-52.34	370.44	2.35	-49.99
CCC(C)C(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300007707450	0	38	-1.0	-43.50	346.73	5.72	-37.78
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C(=O)[O-])C(C)CC	REAL300007707451	0	46	-1.0	-46.64	359.67	4.60	-42.04
CCC(C)C(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007707452	0	42	-1.0	-53.10	361.98	2.72	-50.38
CCC1=NOC2=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C12	REAL300007707453	0	41	-1.0	-53.30	352.09	1.86	-51.44
CCC(C)C(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007707454	0	45	-1.0	-47.29	383.92	3.97	-43.32
CCC(C)C(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007707455	0	39	-1.0	-51.19	333.26	3.26	-47.93
CCC1=CC(CC)=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C(CC)=C1	REAL300007707456	0	52	-1.0	-52.85	385.18	8.85	-44.00
CCC(C)C(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007707457	0	41	-1.0	-53.20	330.11	4.10	-49.10
CCC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007707458	0	40	-1.0	-49.91	357.57	2.23	-47.68
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007707459	0	43	-1.0	-66.55	351.68	7.91	-58.64
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300007707460	0	41	-1.0	-51.98	335.71	4.38	-47.60
CCC(C)C(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007707461	0	46	-1.0	-40.81	331.67	5.55	-35.26
CCC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007707462	0	43	-1.0	-43.00	340.33	5.36	-37.64
CCC(C)C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007707464	0	42	-1.0	-48.21	356.87	5.43	-42.78
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300007707465	0	41	-1.0	-53.74	360.75	4.36	-49.38
CCC(C)C(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300007707466	0	40	-1.0	-46.61	336.48	5.54	-41.07
CCC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007707468	0	34	-1.0	-40.83	324.15	4.44	-36.39
CCC(C)C(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007707469	0	47	-1.0	-58.52	379.40	7.43	-51.09
CCC(C)C(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007707470	0	45	-1.0	-57.00	367.11	4.83	-52.17
CCC(C)C(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007707471	0	43	-1.0	-66.49	346.36	1.28	-65.21
CCC(C)C(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007707472	0	37	-1.0	-53.59	322.77	4.60	-48.99
CCC(C)C(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007707473	0	39	-1.0	-56.48	334.72	3.31	-53.17
CCC(C)C(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007707474	0	44	-1.0	-40.87	329.54	5.58	-35.29
CCC(C)C(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300007707475	0	46	-1.0	-54.56	370.51	5.84	-48.72
CCC(C)C(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007707476	0	45	-1.0	-57.23	355.08	1.16	-56.07
CCC(C)C(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007707477	0	43	-1.0	-53.98	342.19	5.31	-48.67
CCC(C)C(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300007707478	0	41	-1.0	-56.07	337.76	6.24	-49.83
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1[N+](=O)[O-]	REAL300007707479	0	42	-1.0	-48.09	353.93	6.07	-42.02
CCC(C)C(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007707480	0	34	-1.0	-39.14	304.12	4.68	-34.46
CCC(C)C(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007707481	0	34	-1.0	-39.15	308.68	4.79	-34.36
CCC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007707482	0	36	-1.0	-40.78	319.81	4.93	-35.85
CCC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007707483	0	40	-1.0	-55.73	331.24	6.36	-49.37
CCC(C)C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007707484	0	36	-1.0	-42.70	319.80	4.92	-37.78
CCC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300007707485	0	39	-1.0	-60.68	330.18	5.71	-54.97
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007707486	0	38	-1.0	-44.86	321.01	3.54	-41.32
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007707487	0	36	-1.0	-61.26	305.08	5.63	-55.63
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)CC	REAL300007707488	0	41	-1.0	-43.52	355.43	5.51	-38.01
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1	REAL300007707489	0	41	-1.0	-44.78	342.93	4.47	-40.31
CCC(C)C(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300007707490	0	46	-1.0	-42.94	347.47	6.80	-36.14
CCC(C)C(NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300007707491	0	43	-1.0	-42.15	335.23	6.39	-35.76
CCC(C)C(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300007707492	0	49	-1.0	-57.12	377.44	7.38	-49.74
CCC(C)C(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007707493	0	37	-1.0	-41.85	330.32	5.25	-36.60
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007707494	0	37	-1.0	-61.37	308.72	4.94	-56.43
CCC(C)C(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007707495	0	34	-1.0	-40.89	306.34	4.76	-36.13
CCC(C)C(NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300007707496	0	39	-1.0	-43.04	328.62	4.58	-38.46
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007707497	0	40	-1.0	-46.50	342.74	4.91	-41.59
CCC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007707498	0	46	-1.0	-43.00	363.57	6.49	-36.51
CCC(C)C(NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300007707499	0	43	-1.0	-42.60	347.60	6.09	-36.51
CCC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007707500	0	45	-1.0	-47.46	382.94	2.17	-45.29
CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1	REAL300007707501	0	43	-1.0	-42.17	351.76	6.38	-35.79
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1OC)C(=O)[O-]	REAL300007707502	0	38	-1.0	-45.67	316.05	4.03	-41.64
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300007707503	0	38	-1.0	-41.37	337.13	4.13	-37.24
CCC(C)C(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300007707504	0	37	-1.0	-50.97	324.87	5.28	-45.69
CCC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300007707505	0	48	-1.0	-47.58	401.70	7.76	-39.82
CCC(C)C(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007707506	0	38	-1.0	-39.19	333.21	3.96	-35.23
CCC(C)C(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300007707507	0	49	-1.0	-44.28	360.78	7.24	-37.04
CCC(C)C(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007707508	0	43	-1.0	-54.03	348.87	4.02	-50.01
CCC(C)C(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300007707509	0	50	-1.0	-59.60	391.04	6.24	-53.36
CCC(C)C(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007707510	0	39	-1.0	-48.11	335.73	5.44	-42.67
CCC(C)C(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300007707511	0	38	-1.0	-44.58	336.44	4.60	-39.98
CCC(C)C(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300007707512	0	52	-1.0	-42.80	389.84	8.04	-34.76
CCC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007707513	0	37	-1.0	-50.42	324.08	5.10	-45.32
CCC(C)C(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007707514	0	44	-1.0	-46.65	354.30	6.74	-39.91
CCC(C)C(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300007707515	0	42	-1.0	-48.64	344.62	3.27	-45.37
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300007707516	0	42	-1.0	-46.68	350.25	3.45	-43.23
CCC(C)C(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300007707517	0	41	-1.0	-56.54	336.34	6.08	-50.46
CCC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007707518	0	42	-1.0	-46.71	345.98	6.65	-40.06
CCC(C)C(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007707519	0	39	-1.0	-44.53	320.26	3.94	-40.59
CCC(C)C(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300007707520	0	49	-1.0	-44.62	395.04	7.76	-36.86
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1OCC	REAL300007707521	0	48	-1.0	-44.59	389.66	5.21	-39.38
CCC(C)C(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007707522	0	39	-1.0	-50.50	345.82	-0.79	-51.29
CCC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300007707523	0	42	-1.0	-60.41	348.02	6.18	-54.23
CCC(C)C(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300007707524	0	42	-1.0	-51.12	336.03	5.89	-45.23
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007707525	0	40	-1.0	-57.18	334.53	4.93	-52.25
CCC(C)C(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300007707526	0	38	-1.0	-54.05	333.85	4.56	-49.49
CCC(C)C(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007707527	0	39	-1.0	-57.37	339.62	-0.95	-58.32
CCC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007707528	0	46	-1.0	-56.79	394.38	1.94	-54.85
CCC(C)C(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300007707529	0	42	-1.0	-45.69	340.40	5.31	-40.38
CCC(C)C(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007707530	0	42	-1.0	-58.42	342.99	6.85	-51.57
CCC(C)C(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007707531	0	45	-1.0	-56.73	381.60	2.09	-54.64
CCC(C)C(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007707532	0	46	-1.0	-67.07	372.09	3.45	-63.62
CCC(C)C(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007707533	0	40	-1.0	-59.55	346.08	1.62	-57.93
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007707534	0	44	-1.0	-60.74	355.80	7.71	-53.03
CCC(C)C(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007707535	0	40	-1.0	-58.41	328.28	6.50	-51.91
CCC(C)C(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007707536	0	44	-1.0	-44.55	361.56	7.57	-36.98
CCC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300007707537	0	37	-1.0	-56.19	307.64	5.11	-51.08
CCC(C)C(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007707538	0	48	-1.0	-55.85	381.70	6.35	-49.50
CCC(C)C(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007707539	0	35	-1.0	-57.16	316.04	2.56	-54.60
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007707540	0	38	-1.0	-44.67	331.87	4.51	-40.16
CCC(C)C(NS(=O)(=O)C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300007707541	0	38	-1.0	-54.60	314.86	3.39	-51.21
CCC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300007707542	0	49	-1.0	-45.66	382.02	7.04	-38.62
CCC(C)C(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300007707543	0	37	-1.0	-44.55	326.99	5.36	-39.19
CCC(C)C(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300007707544	0	44	-1.0	-44.86	360.87	5.10	-39.76
CCC(C)C(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007707545	0	35	-1.0	-64.99	300.64	3.05	-61.94
CCC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007707546	0	39	-1.0	-51.78	341.87	6.61	-45.17
CCC(C)C(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007707547	0	39	-1.0	-49.66	313.69	5.28	-44.38
CCC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007707548	0	45	-1.0	-44.13	393.14	7.61	-36.52
CCC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300007707549	0	40	-1.0	-51.45	345.43	4.72	-46.73
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300007707550	0	38	-1.0	-42.02	322.94	3.54	-38.48
CCC(C)C(NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300007707551	0	37	-1.0	-45.46	318.25	4.95	-40.51
CCC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007707552	0	45	-1.0	-52.99	390.77	7.46	-45.53
CCC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300007707553	0	49	-1.0	-53.09	403.56	6.23	-46.86
CCC(C)C(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300007707554	0	61	-1.0	-44.38	446.60	10.13	-34.25
CCC(C)C(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300007707555	0	50	-1.0	-49.52	400.74	7.53	-41.99
CCC(C)C(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007707556	0	37	-1.0	-39.04	337.51	5.73	-33.31
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300007707557	0	44	-1.0	-46.93	358.64	5.93	-41.00
CCC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007707558	0	39	-1.0	-50.13	329.10	5.62	-44.51
CCC(C)C(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007707559	0	39	-1.0	-51.36	324.34	5.52	-45.84
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C(=O)[O-])C(C)CC	REAL300007707560	0	42	-1.0	-59.84	346.82	6.58	-53.26
CCC(C)C(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300007707561	0	46	-1.0	-44.77	372.79	6.94	-37.83
CCC(C)C(NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300007707562	0	44	-1.0	-45.01	368.15	4.76	-40.25
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007707563	0	37	-1.0	-55.53	317.97	5.56	-49.97
CCC(C)C(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300007707564	0	44	-1.0	-44.81	357.91	4.97	-39.84
CCC(C)C(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300007707565	0	50	-1.0	-42.33	399.30	6.49	-35.84
CCC(C)C(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007707566	0	48	-1.0	-44.85	386.23	6.48	-38.37
CCC(C)C(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300007707567	0	47	-1.0	-42.67	380.34	5.89	-36.78
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1	REAL300007707568	0	44	-1.0	-45.20	364.44	5.29	-39.91
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300007707569	0	38	-1.0	-43.70	337.04	4.10	-39.60
CCC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007707570	0	38	-1.0	-45.36	346.80	4.37	-40.99
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300007707571	0	41	-1.0	-53.64	334.90	4.14	-49.50
CCC(C)C(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300007707572	0	47	-1.0	-53.25	374.67	5.69	-47.56
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300007707573	0	41	-1.0	-54.38	330.33	4.24	-50.14
CCC(C)C(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300007707574	0	45	-1.0	-46.06	372.36	3.66	-42.40
CCC(C)C(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300007707575	0	37	-1.0	-47.00	315.05	4.86	-42.14
CCC(C)C(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007707576	0	37	-1.0	-51.74	322.16	5.57	-46.17
CCC(C)C(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300007707577	0	42	-1.0	-48.12	335.05	6.95	-41.17
CCC(C)C(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300007707578	0	43	-1.0	-65.82	361.96	2.57	-63.25
CCC(C)C(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007707579	0	46	-1.0	-56.09	395.08	1.94	-54.15
CCC(C)C(NS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300007707580	0	36	-1.0	-53.09	312.25	2.70	-50.39
CCC(C)C(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007707581	0	37	-1.0	-53.86	323.11	5.50	-48.36
CCC(C)C(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300007707582	0	38	-1.0	-43.19	327.24	3.62	-39.57
CCC(C)C(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007707583	0	44	-1.0	-55.22	359.58	7.51	-47.71
CCC(C)C(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007707584	0	37	-1.0	-39.90	343.29	5.85	-34.05
CCC(C)C(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300007707585	0	40	-1.0	-45.12	366.82	4.73	-40.39
CCC(C)C(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007707586	0	54	-1.0	-42.29	421.94	7.78	-34.51
CCC(C)C(NS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300007707587	0	42	-1.0	-55.96	350.13	1.77	-54.19
CCC(C)C(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300007707588	0	44	-1.0	-42.77	342.27	4.91	-37.86
CCC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007707589	0	45	-1.0	-54.74	373.14	8.26	-46.48
CCC(C)C(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300007707590	0	44	-1.0	-55.82	350.73	5.08	-50.74
CCC(C)C(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300007707591	0	42	-1.0	-55.46	331.49	5.31	-50.15
CCC(C)C(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007707592	0	39	-1.0	-57.66	323.59	4.70	-52.96
CCC(C)C(NS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007707593	0	39	-1.0	-53.81	337.41	4.97	-48.84
CCC(C)C(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007707594	0	41	-1.0	-41.24	358.29	4.85	-36.39
CCC(C)C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007707595	0	48	-1.0	-43.69	398.63	7.44	-36.25
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)CC)=C1	REAL300007707596	0	42	-1.0	-59.95	349.15	5.35	-54.60
CCC(C)C(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007707597	0	44	-1.0	-46.52	373.40	5.71	-40.81
CCC(C)C(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300007707598	0	37	-1.0	-59.17	314.26	3.29	-55.88
CCC(C)C(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007707599	0	42	-1.0	-46.42	364.45	0.79	-45.63
CCC(C)C(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300007707600	0	37	-1.0	-42.03	312.00	4.83	-37.20
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C2=CC=CC=C12	REAL300007707601	0	47	-1.0	-48.85	382.41	6.87	-41.98
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)CC	REAL300007707602	0	44	-1.0	-47.76	358.49	5.53	-42.23
CCC(C)C(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007707603	0	39	-1.0	-50.38	339.86	4.44	-45.94
CCC(C)C(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007707604	0	41	-1.0	-56.17	352.17	5.30	-50.87
CCOCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1	REAL300007707605	0	48	-1.0	-46.17	398.41	4.71	-41.46
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1	REAL300007707606	0	50	-1.0	-44.91	407.44	6.85	-38.06
CCC(C)C(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007707607	0	44	-1.0	-42.96	334.17	6.57	-36.39
CCC(C)C(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007707608	0	38	-1.0	-39.67	343.61	5.63	-34.04
CCC(C)C(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300007707609	0	39	-1.0	-44.42	323.41	3.44	-40.98
CCC(C)C(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007707610	0	42	-1.0	-63.63	354.30	5.41	-58.22
CCC(C)C(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007707611	0	39	-1.0	-59.89	334.34	4.27	-55.62
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C(C)=C1	REAL300007707612	0	44	-1.0	-55.24	354.01	5.20	-50.04
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007707613	0	38	-1.0	-57.31	328.79	4.32	-52.99
CCC(C)C(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300007707614	0	38	-1.0	-41.98	327.42	5.19	-36.79
CCC(C)C(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007707615	0	40	-1.0	-43.54	348.81	5.86	-37.68
CCC(C)C(NS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300007707616	0	40	-1.0	-49.56	329.88	3.86	-45.70
CCC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007707617	0	40	-1.0	-47.11	327.57	3.83	-43.28
CCC(C)C(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007707618	0	39	-1.0	-48.19	327.98	4.70	-43.49
CCC(C)C(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007707619	0	46	-1.0	-57.16	381.03	6.12	-51.04
CCC(C)C(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300007707620	0	40	-1.0	-55.25	339.77	5.61	-49.64
CCC(C)C(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007707621	0	40	-1.0	-45.54	357.17	4.81	-40.73
CCC(C)C(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007707622	0	43	-1.0	-57.56	350.91	5.68	-51.88
CCC(C)C(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300007707623	0	42	-1.0	-46.68	353.75	3.88	-42.80
CCC(C)C(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300007707624	0	41	-1.0	-43.86	344.68	3.97	-39.89
CCC(C)C(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007707625	0	45	-1.0	-47.48	347.42	5.82	-41.66
CCC(C)C(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007707626	0	37	-1.0	-45.65	323.33	5.28	-40.37
CCC(C)C(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007707627	0	42	-1.0	-56.54	348.35	4.79	-51.75
CCC(C)C(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007707628	0	37	-1.0	-57.50	336.61	5.71	-51.79
CCC(C)C(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007707629	0	42	-1.0	-53.37	345.95	4.77	-48.60
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C(=O)[O-])C(C)CC	REAL300007707630	0	46	-1.0	-53.38	339.89	7.20	-46.18
CCC(C)C(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300007707631	0	46	-1.0	-42.90	372.15	3.04	-39.86
CCC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007707632	0	45	-1.0	-45.52	396.93	7.60	-37.92
CCC(C)C(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007707633	0	40	-1.0	-47.22	335.31	5.37	-41.85
CCC(C)C(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007707634	0	40	-1.0	-47.63	370.58	5.34	-42.29
CCC(C)C(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300007707635	0	43	-1.0	-56.49	362.46	3.16	-53.33
CCC(C)C(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007707636	0	37	-1.0	-53.15	324.40	2.98	-50.17
CCC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007707637	0	37	-1.0	-57.52	316.35	4.53	-52.99
CCC(C)C(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007707638	0	37	-1.0	-52.40	316.82	2.83	-49.57
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300007707639	0	37	-1.0	-51.64	316.14	0.82	-50.82
CCC(C)C(NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300007707640	0	38	-1.0	-58.09	315.82	3.57	-54.52
CCC(C)C(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007707641	0	42	-1.0	-54.56	339.80	4.72	-49.84
CCC(C)C(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300007707642	0	44	-1.0	-47.09	366.30	5.88	-41.21
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007707643	0	42	-1.0	-54.78	359.88	5.20	-49.58
CCC(C)C(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300007707644	0	39	-1.0	-49.56	329.55	5.28	-44.28
CCC(C)C(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300007707645	0	45	-1.0	-52.60	372.07	4.85	-47.75
CCC(C)C(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007707646	0	36	-1.0	-54.33	322.83	3.64	-50.69
CCC(C)C(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007707647	0	42	-1.0	-44.97	339.87	4.59	-40.38
CCC(C)C(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300007707648	0	43	-1.0	-45.69	354.67	7.11	-38.58
CCC(C)C(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300007707649	0	35	-1.0	-60.33	299.87	2.48	-57.85
CCC(C)C(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007707650	0	42	-1.0	-47.04	342.68	4.65	-42.39
CCC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300007707651	0	39	-1.0	-50.23	327.88	4.06	-46.17
CCC(C)C(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007707652	0	39	-1.0	-58.45	332.34	4.16	-54.29
CCC(C)C(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300007707653	0	39	-1.0	-55.39	326.57	4.00	-51.39
CCC(C)C(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007707654	0	40	-1.0	-39.88	346.86	6.12	-33.76
CCC(C)C(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007707655	0	46	-1.0	-55.49	360.27	4.64	-50.85
CCC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007707656	0	36	-1.0	-50.67	323.66	3.35	-47.32
CCC(C)C(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300007707657	0	42	-1.0	-49.55	340.54	4.71	-44.84
CCC(C)C(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007707658	0	42	-1.0	-50.68	347.07	6.17	-44.51
CCC(C)C(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300007707659	0	42	-1.0	-50.17	340.26	7.08	-43.09
CCC(C)C(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300007707660	0	42	-1.0	-60.25	346.23	6.12	-54.13
CCC(C)C(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007707661	0	44	-1.0	-42.29	359.64	4.91	-37.38
CCC(C)C(NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300007707662	0	37	-1.0	-43.72	312.02	1.66	-42.06
CCC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007707663	0	43	-1.0	-45.66	364.58	5.90	-39.76
CCC(C)C(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300007707664	0	41	-1.0	-45.10	336.64	6.25	-38.85
CCC(C)C(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300007707665	0	42	-1.0	-57.40	349.80	2.78	-54.62
CCC(C)C(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300007707666	0	46	-1.0	-40.60	347.87	5.73	-34.87
CCC(C)C(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300007707667	0	40	-1.0	-41.78	322.11	3.55	-38.23
CCC(C)C(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300007707668	0	37	-1.0	-57.98	317.69	4.52	-53.46
CCC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300007707669	0	38	-1.0	-40.55	332.75	4.02	-36.53
CCC(C)C(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007707670	0	42	-1.0	-62.60	334.27	5.66	-56.94
CCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1CC	REAL300007707671	0	46	-1.0	-43.77	364.28	6.73	-37.04
CCC(C)C(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007707672	0	42	-1.0	-41.05	346.65	6.50	-34.55
CCC(C)C(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300007707673	0	44	-1.0	-58.18	348.71	5.68	-52.50
CCC(C)C(NS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300007707674	0	37	-1.0	-45.28	320.38	4.53	-40.75
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007707675	0	35	-1.0	-39.67	311.47	2.08	-37.59
CCC1=NC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)S1	REAL300007707676	0	36	-1.0	-51.78	316.31	2.72	-49.06
CCC(C)C(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007707677	0	41	-1.0	-55.18	337.34	3.99	-51.19
CCC(C)C(NS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300007707678	0	37	-1.0	-45.15	321.20	4.88	-40.27
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007707679	0	40	-1.0	-48.78	331.07	6.02	-42.76
CCC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007707680	0	37	-1.0	-44.08	294.61	2.51	-41.57
CCC(C)C(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300007707681	0	40	-1.0	-41.18	331.36	5.43	-35.75
CCC(C)C(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007707682	0	41	-1.0	-63.26	342.06	3.83	-59.43
CCC(C)C(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007707683	0	36	-1.0	-59.03	320.48	3.70	-55.33
CCC(C)C(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007707684	0	37	-1.0	-56.65	326.43	5.31	-51.34
CCC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300007707685	0	37	-1.0	-51.01	320.83	5.19	-45.82
CCC(C)C(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007707686	0	40	-1.0	-51.31	332.45	5.07	-46.24
CCC(C)C(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300007707687	0	43	-1.0	-54.90	371.58	5.56	-49.34
CCC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007707688	0	42	-1.0	-49.20	342.58	5.47	-43.73
CCC(C)C(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007707689	0	41	-1.0	-49.03	352.53	2.00	-47.03
CCC(C)C(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007707690	0	43	-1.0	-51.60	348.54	4.55	-47.05
CCC(C)C(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007707691	0	37	-1.0	-57.13	334.29	5.40	-51.73
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1	REAL300007707692	0	59	-1.0	-42.39	467.72	9.09	-33.30
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)CC)=C1	REAL300007707693	0	47	-1.0	-45.40	379.64	5.90	-39.50
CCC(C)C(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300007707694	0	47	-1.0	-55.50	365.93	4.48	-51.02
CCC(C)C(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300007707695	0	50	-1.0	-56.13	380.47	5.19	-50.94
CCC(C)C(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007707696	0	48	-1.0	-45.51	409.00	7.60	-37.91
CCOC(CS(=O)(=O)NC(C(=O)[O-])C(C)CC)C1CC1	REAL300007707697	0	44	-1.0	-58.36	349.31	4.40	-53.96
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1C(C)C	REAL300007707698	0	53	-1.0	-45.90	423.05	7.31	-38.59
CCC1=NC(S(=O)(=O)NC(C(=O)[O-])C(C)CC)=CN1CC1CC1	REAL300007707699	0	47	-1.0	-56.67	375.95	6.42	-50.25
CCC(C)C(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007707700	0	37	-1.0	-42.69	327.12	3.69	-39.00
CCC(C)C(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007707701	0	42	-1.0	-51.43	351.30	6.49	-44.94
CCC(C)C(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007707702	0	41	-1.0	-51.01	329.37	3.88	-47.13
CCC(C)C(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007707703	0	47	-1.0	-54.59	385.24	6.15	-48.44
CCC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007707704	0	37	-1.0	-48.72	324.16	2.43	-46.29
CCC(C)C(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007707705	0	45	-1.0	-44.57	390.20	8.33	-36.24
CCC(C)C(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007707706	0	44	-1.0	-51.03	353.57	7.56	-43.47
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)CC)=C(C)C=C1OC	REAL300007707707	0	47	-1.0	-55.92	372.35	5.82	-50.10
CCC(C)C(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007707708	0	40	-1.0	-40.95	362.80	6.13	-34.82
CCC(C)C(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007707709	1	36	-1.0	-62.27	314.40	3.11	-59.16
CCC(C)C(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300007707710	0	43	-1.0	-46.94	337.54	7.23	-39.71
CCC(C)C(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300007707711	0	43	-1.0	-51.27	360.00	2.71	-48.56
CCC(C)C(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300007707712	0	38	-1.0	-53.00	321.69	4.19	-48.81
CCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1C(C)C	REAL300007707713	0	50	-1.0	-43.83	397.33	6.40	-37.43
CCC(C)C(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007707714	0	46	-1.0	-45.80	369.75	6.50	-39.30
CCC(C)C(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007707715	0	53	-1.0	-43.96	415.77	8.72	-35.24
CCC(C)C(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007707716	0	44	-1.0	-51.44	347.09	4.23	-47.21
CCC(C)C(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007707717	0	46	-1.0	-58.86	355.74	4.30	-54.56
CCC(C)C(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007707718	0	44	-1.0	-46.61	351.73	4.45	-42.16
CCC(C)C(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007707719	0	37	-1.0	-40.73	314.99	2.90	-37.83
CCC(C)C(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007707720	0	41	-1.0	-59.71	348.99	4.30	-55.41
C=CCCC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1	REAL300007707721	0	44	-1.0	-44.57	368.79	7.03	-37.54
CCC1=NN(C)C=C1S(=O)(=O)NC(C(=O)[O-])C(C)CC	REAL300007707722	0	40	-1.0	-55.65	327.55	3.05	-52.60
CCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1C(C)C	REAL300007707723	0	56	-1.0	-45.49	444.54	8.08	-37.41
CCC(C)C(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007707724	0	38	-1.0	-53.32	335.22	5.84	-47.48
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1C(C)(C)C	REAL300007707725	0	56	-1.0	-54.44	429.37	7.80	-46.64
CCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1CC	REAL300007707726	0	50	-1.0	-45.88	406.07	6.76	-39.12
CCC(C)C(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300007707727	0	40	-1.0	-41.77	333.99	6.24	-35.53
CCC(C)C(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007707728	0	40	-1.0	-41.25	346.84	6.03	-35.22
CCC(C)C(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007707729	0	38	-1.0	-43.76	333.52	5.80	-37.96
CCCC1=CC=CC=C1S(=O)(=O)NC(C(=O)[O-])C(C)CC	REAL300007707730	0	43	-1.0	-56.86	339.88	6.64	-50.22
CCC(C)C(NS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300007707731	0	37	-1.0	-45.97	296.11	1.24	-44.73
CCC(C)C(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007707732	0	50	-1.0	-45.77	398.37	6.86	-38.91
CCC(C)C(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007707733	0	39	-1.0	-57.35	322.75	4.69	-52.66
CCC(C)C(NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300007707734	0	37	-1.0	-40.28	304.60	4.71	-35.57
CCC(C)C(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007707735	0	41	-1.0	-46.64	334.23	3.78	-42.86
CCC(C)C(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007707736	0	41	-1.0	-43.27	334.17	4.00	-39.27
CCC(C)C(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007707737	0	44	-1.0	-53.31	347.22	4.46	-48.85
CCC(C)C(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007707738	0	45	-1.0	-45.52	347.01	2.02	-43.50
CCC(C)C(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007707739	0	40	-1.0	-53.49	353.03	5.03	-48.46
CCC(C)C(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007707740	0	41	-1.0	-47.75	326.71	4.09	-43.66
CCCCCOC1=CC=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C=C1C(C)C	REAL300007707741	0	59	-1.0	-42.93	461.68	8.78	-34.15
CCC(C)C(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300007707742	0	50	-1.0	-57.17	389.07	6.15	-51.02
CCC(C)C(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300007707743	0	44	-1.0	-58.34	361.97	5.58	-52.76
CCC(C)C(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300007707744	0	42	-1.0	-60.57	348.04	4.86	-55.71
CCC(C)C(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007707745	0	42	-1.0	-52.31	355.64	3.78	-48.53
CCC(C)C(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007707746	0	40	-1.0	-57.42	337.23	4.74	-52.68
CCC(C)C(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300007707747	0	39	-1.0	-64.58	330.33	3.76	-60.82
CCC(C)C(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300007707748	0	35	-1.0	-49.91	303.67	2.92	-46.99
CCC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007707749	0	37	-1.0	-48.18	326.27	5.58	-42.60
CCC(C)C(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007707750	0	41	-1.0	-47.29	342.07	4.01	-43.28
CCC(C)C(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300007707751	0	43	-1.0	-53.61	337.72	6.37	-47.24
CCC(C)C(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300007707752	0	42	-1.0	-55.54	344.37	3.98	-51.56
CCC(C)C(NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007707753	0	37	-1.0	-45.10	304.64	3.96	-41.14
CCC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007707754	0	47	-1.0	-47.18	372.49	5.01	-42.17
CCC(C)C(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300007707755	0	46	-1.0	-45.91	359.47	4.56	-41.35
CCCCN1C=C(S(=O)(=O)NC(C(=O)[O-])C(C)CC)C(C)=N1	REAL300007707756	0	46	-1.0	-53.98	378.51	4.81	-49.17
CCC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007707757	0	41	-1.0	-47.87	342.80	3.97	-43.90
CCC(C)C(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007707758	0	38	-1.0	-44.96	326.62	3.74	-41.22
CCC(C)C(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007707759	0	39	-1.0	-54.16	332.48	2.54	-51.62
CCC(C)C(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300007707760	0	40	-1.0	-56.21	341.45	6.22	-49.99
CCC(C)C(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007707761	0	40	-1.0	-39.02	351.66	5.19	-33.83
CCC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007707762	0	44	-1.0	-47.79	362.92	4.63	-43.16
CCC(C)C(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300007707763	0	52	-1.0	-58.26	399.41	8.05	-50.21
CCC(C)C(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007707764	0	40	-1.0	-40.32	360.81	6.12	-34.20
CCC(C)C(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007707765	0	44	-1.0	-52.72	365.48	4.83	-47.89
CCC(C)C(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007707766	0	38	-1.0	-43.34	311.87	4.95	-38.39
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007707767	0	45	-1.0	-57.54	385.10	6.95	-50.59
CCC(C)C(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007707768	0	43	-1.0	-73.06	349.75	5.48	-67.58
CCCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)CC)=C1	REAL300007707769	0	43	-1.0	-54.51	349.76	6.31	-48.20
CCC(C)C(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007707770	0	41	-1.0	-51.31	332.62	3.65	-47.66
CCC(C)C(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007707771	0	43	-1.0	-53.01	329.13	3.73	-49.28
CCC(C)C(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007707772	0	43	-1.0	-53.11	356.04	3.91	-49.20
CCC(C)C(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007707773	0	41	-1.0	-47.03	340.95	3.31	-43.72
CCC(C)C(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007707774	0	39	-1.0	-39.61	338.29	3.99	-35.62
CCC(C)C(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007707775	0	37	-1.0	-48.68	334.06	5.22	-43.46
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)CC)=C1	REAL300007707776	0	45	-1.0	-48.25	374.19	6.29	-41.96
CCC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007707777	0	45	-1.0	-43.58	348.03	6.96	-36.62
CCC(C)C(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007707778	0	40	-1.0	-40.75	345.87	5.10	-35.65
CCC(C)C(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007707779	0	34	-1.0	-52.15	303.02	4.30	-47.85
CCC(C)C(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300007707780	0	41	-1.0	-45.54	340.79	6.36	-39.18
CCC(C)C(NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300007707781	0	35	-1.0	-41.66	295.30	2.68	-38.98
CCC(C)C(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007707782	0	44	-1.0	-54.55	354.53	4.62	-49.93
CCC(C)C(NS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300007707783	0	43	-1.0	-51.59	340.03	3.62	-47.97
CCC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007707784	0	48	-1.0	-54.68	381.83	3.16	-51.52
CCC(C)C(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007707785	0	40	-1.0	-44.39	342.82	5.78	-38.61
CCC(C)C(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007707786	0	38	-1.0	-46.60	330.83	3.83	-42.77
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300007707787	0	35	-1.0	-43.93	315.37	2.71	-41.22
CCC(C)C(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007707788	0	45	-1.0	-52.49	358.26	6.51	-45.98
CCC(C)C(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300007707789	0	37	-1.0	-43.23	320.09	2.85	-40.38
CCOCC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)CC)=C1	REAL300007707790	0	44	-1.0	-45.46	368.50	4.94	-40.52
CCC(C)C(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007707791	0	44	-1.0	-51.81	365.47	5.36	-46.45
CCC(C)C(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007707792	0	47	-1.0	-48.28	373.81	5.10	-43.18
CCC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007707793	0	45	-1.0	-46.14	380.28	7.11	-39.03
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300007707794	0	37	-1.0	-58.18	306.07	5.14	-53.04
CCC(C)C(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300007707795	0	40	-1.0	-41.46	342.03	5.83	-35.63
CCC(C)C(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300007707796	0	43	-1.0	-49.51	349.93	7.12	-42.39
CCC(C)C(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007707797	0	44	-1.0	-56.22	360.59	5.44	-50.78
CCC(C)C(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007707798	0	38	-1.0	-45.59	329.90	5.51	-40.08
CCC(C)C(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007707799	0	38	-1.0	-53.24	339.78	5.94	-47.30
CCC(C)C(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007707800	0	38	-1.0	-42.39	340.57	5.99	-36.40
CCC(C)C(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007707801	0	39	-1.0	-42.88	333.35	-1.85	-44.73
CCC(C)C(NS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300007707802	0	37	-1.0	-50.61	312.86	4.53	-46.08
CCC(C)C(NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300007707803	0	40	-1.0	-57.11	319.68	4.46	-52.65
CCC(C)C(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007707804	0	36	-1.0	-47.05	318.37	3.55	-43.50
CCC(C)C(NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300007707805	0	42	-1.0	-45.31	336.66	1.24	-44.07
CCC(C)C(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007707806	0	43	-1.0	-60.24	361.60	3.74	-56.50
CCC(C)C(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007707807	0	51	-1.0	-57.84	365.79	7.03	-50.81
CCC(C)C(NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300007707808	0	44	-1.0	-61.99	351.23	3.32	-58.67
CCC(C)C(NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300007707809	0	37	-1.0	-64.59	316.93	-0.24	-64.83
CCC(C)C(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007707810	0	42	-1.0	-55.48	329.65	4.61	-50.87
CCC(C)C(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007707811	0	42	-1.0	-65.66	359.27	0.96	-64.70
CCC(C)C(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007707812	0	47	-1.0	-58.48	360.21	4.44	-54.04
CCC(C)C(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300007707813	0	44	-1.0	-42.01	356.52	6.42	-35.59
CCC(C)C(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007707814	0	38	-1.0	-48.74	329.81	3.08	-45.66
CCC(C)C(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007707815	0	44	-1.0	-41.10	363.76	6.91	-34.19
CCC(C)C(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007707816	0	43	-1.0	-62.80	339.84	1.51	-61.29
CCC(C)C(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007707817	0	47	-1.0	-42.90	357.69	6.19	-36.71
CCC(C)C(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007707818	0	38	-1.0	-55.69	330.59	5.43	-50.26
CCC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007707819	0	56	-1.0	-56.20	415.71	8.25	-47.95
CCC(C)C(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007707820	0	45	-1.0	-45.40	361.26	5.07	-40.33
CCC(C)C(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300007707821	0	39	-1.0	-58.22	337.18	2.01	-56.21
CCC(C)C(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007707822	0	38	-1.0	-58.51	331.11	4.39	-54.12
CCC(C)C(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007707823	0	38	-1.0	-44.86	332.86	3.81	-41.05
CCC(C)C(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007707824	0	40	-1.0	-53.52	330.25	4.02	-49.50
CCC(C)C(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300007707825	0	41	-1.0	-60.16	344.45	5.93	-54.23
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007707826	0	43	-1.0	-53.56	369.65	4.64	-48.92
CCC(C)C(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007707827	0	47	-1.0	-51.32	378.33	6.57	-44.75
CCC(C)C(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007707828	0	45	-1.0	-47.24	380.27	7.09	-40.15
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007707829	0	40	-1.0	-67.79	321.05	5.44	-62.35
CCC(C)C(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007707830	0	35	-1.0	-44.12	313.77	3.03	-41.09
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C(=O)[O-])C(C)CC)=C1	REAL300007707831	0	45	-1.0	-46.75	375.22	5.88	-40.87
CCC(C)C(NS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300007707832	0	44	-1.0	-48.40	364.68	4.86	-43.54
CCC(C)C(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300007707833	0	38	-1.0	-64.39	328.13	3.57	-60.82
CCC(C)C(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007707834	0	40	-1.0	-42.21	350.01	6.94	-35.27
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007707835	0	44	-1.0	-43.57	375.26	8.02	-35.55
CCC(C)C(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007707836	0	33	-1.0	-49.38	316.56	2.14	-47.24
CCC1=CC(S(=O)(=O)NC(C(=O)[O-])C(C)CC)=CC=C1Br	REAL300007707837	0	40	-1.0	-40.29	346.26	6.04	-34.25
CCC(C)C(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007707838	0	47	-1.0	-47.01	378.29	5.45	-41.56
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007707839	0	31	-1.0	-50.35	294.95	3.64	-46.71
CCC(C)C(NS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300007707840	0	48	-1.0	-45.75	388.87	4.47	-41.28
CCC(C)C(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007707841	0	40	-1.0	-44.37	342.88	6.91	-37.46
CCC(C)C(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007707842	0	42	-1.0	-48.65	335.25	1.83	-46.82
CCC(C)C(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300007707843	0	41	-1.0	-44.06	327.56	6.29	-37.77
CCC(C)C(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007707844	0	49	-1.0	-42.20	389.25	4.53	-37.67
CCC(C)C(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300007707845	0	37	-1.0	-42.07	316.32	2.16	-39.91
CCC(C)C(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300007707846	0	40	-1.0	-42.14	334.68	1.59	-40.55
CCC(C)C(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300007707847	0	43	-1.0	-55.37	352.72	4.30	-51.07
CCC(C)C(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300007707848	0	43	-1.0	-53.11	349.77	3.79	-49.32
CCC(C)C(NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300007707849	0	40	-1.0	-50.89	331.99	3.41	-47.48
CCC(C)C(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007707850	0	41	-1.0	-42.48	333.37	3.86	-38.62
CCC(C)C(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007707851	0	41	-1.0	-58.55	338.35	5.00	-53.55
CCC(C)C(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300007707852	0	43	-1.0	-57.56	349.49	3.89	-53.67
CCC(C)C(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300007707853	0	48	-1.0	-46.38	400.39	7.83	-38.55
CCC(C)C(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300007707854	0	41	-1.0	-62.31	331.66	4.18	-58.13
CCC(C)C(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300007707855	0	40	-1.0	-41.03	338.67	2.66	-38.37
CCC(C)C(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007707856	0	42	-1.0	-62.89	344.32	5.30	-57.59
CCC(C)C(NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007707857	0	38	-1.0	-56.48	320.28	4.11	-52.37
CCC(C)C(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007707858	0	41	-1.0	-53.53	359.25	5.10	-48.43
CCC(C)C(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300007707859	0	47	-1.0	-59.70	377.50	6.09	-53.61
O=C([O-])CC(NS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1	REAL300007707860	0	35	-1.0	-55.11	313.23	6.06	-49.05
O=C([O-])CC(NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=CC=C1	REAL300007707861	0	35	-1.0	-47.29	311.67	5.71	-41.58
CC(=O)C1=CC=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=C1	REAL300007707862	0	40	-1.0	-53.56	345.74	6.03	-47.53
CCCCN(C)S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007707863	0	42	-1.0	-53.57	345.80	6.11	-47.46
O=C([O-])CC(NS(=O)(=O)C1=CC=CS1)C1=CC=CC=C1	REAL300007707864	0	32	-1.0	-43.10	301.06	4.89	-38.21
CCC(C)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007707865	0	47	-1.0	-50.08	383.90	8.25	-41.83
CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)S1	REAL300007707866	0	35	-1.0	-51.35	319.75	5.48	-45.87
O=C([O-])CC(NS(=O)(=O)C1=CC=C(Cl)S1)C1=CC=CC=C1	REAL300007707867	0	32	-1.0	-40.70	318.15	5.50	-35.20
COC1=CC=C(C)C=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007707868	0	42	-1.0	-47.58	361.12	6.46	-41.12
CC1=CC=C(Br)C=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007707869	0	38	-1.0	-44.10	336.28	7.12	-36.98
O=C([O-])CC(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C1=CC=CC=C1	REAL300007707870	0	39	-1.0	-44.65	344.38	6.39	-38.26
O=C([O-])CC(NS(=O)(=O)N1CCOCC1)C1=CC=CC=C1	REAL300007707871	0	38	-1.0	-43.48	318.22	2.86	-40.62
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007707872	0	41	-1.0	-54.31	369.92	3.38	-50.93
O=C([O-])CC(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C1=CC=CC=C1	REAL300007707873	0	39	-1.0	-43.40	355.28	5.64	-37.76
COC1=CC(C)=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300007707874	0	46	-1.0	-56.88	378.57	6.53	-50.35
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007707875	0	38	-1.0	-41.26	343.05	7.20	-34.06
CN1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007707876	0	35	-1.0	-47.59	314.02	3.52	-44.07
CCN(CC)S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007707877	0	39	-1.0	-54.20	324.47	5.46	-48.74
CN(C1CCCCC1)S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007707878	0	46	-1.0	-42.01	356.34	6.25	-35.76
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007707879	0	41	-1.0	-53.27	346.00	5.03	-48.24
O=C([O-])CC(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C1=CC=CC=C1	REAL300007707880	0	51	-1.0	-44.75	411.08	9.67	-35.08
O=C([O-])CC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C1=CC=CC=C1	REAL300007707881	0	41	-1.0	-48.61	353.72	4.98	-43.63
CCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007707882	0	41	-1.0	-44.55	352.11	7.30	-37.25
O=C([O-])CC(NS(=O)(=O)C1=CC=CC=C1Br)C1=CC=CC=C1	REAL300007707883	0	35	-1.0	-55.44	325.42	7.37	-48.07
O=C([O-])CC(NS(=O)(=O)C1=CC=CC(Br)=C1)C1=CC=CC=C1	REAL300007707884	0	35	-1.0	-47.11	326.56	6.27	-40.84
CC1=NNC=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007707885	0	35	-1.0	-53.21	307.36	3.65	-49.56
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007707886	0	40	-1.0	-59.94	343.51	8.21	-51.73
O=C([O-])CC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C1=CC=CC=C1	REAL300007707887	0	41	-1.0	-43.74	369.12	7.83	-35.91
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007707888	0	45	-1.0	-47.27	391.08	2.34	-44.93
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007707889	0	46	-1.0	-48.57	387.66	7.49	-41.08
CC1=CC(F)=CC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=C1	REAL300007707890	0	38	-1.0	-42.75	337.12	6.58	-36.17
O=C([O-])CC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C1=CC=CC=C1	REAL300007707891	0	41	-1.0	-54.23	358.58	6.58	-47.65
COCC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007707892	0	42	-1.0	-44.83	364.29	5.59	-39.24
CCOC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007707893	0	41	-1.0	-45.02	358.27	3.42	-41.60
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300007707894	0	44	-1.0	-55.32	394.25	4.08	-51.24
CS(=O)(=O)CCCS(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007707895	0	40	-1.0	-50.17	356.11	1.86	-48.31
COC1=CC=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C(C)=C1C	REAL300007707896	0	45	-1.0	-55.59	365.66	7.27	-48.32
O=C([O-])CC(NS(=O)(=O)CC1=CC=C(Br)C=C1)C1=CC=CC=C1	REAL300007707897	0	38	-1.0	-49.00	349.88	6.99	-42.01
O=C([O-])CC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C1=CC=CC=C1	REAL300007707898	0	40	-1.0	-47.43	350.11	6.21	-41.22
O=C([O-])CC(NS(=O)(=O)CC1=NOC=C1)C1=CC=CC=C1	REAL300007707899	0	34	-1.0	-47.14	306.32	3.85	-43.29
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=NN1C	REAL300007707900	0	38	-1.0	-51.49	320.60	3.77	-47.72
CS(=O)(=O)N1CCN(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)CC1	REAL300007707901	0	45	-1.0	-58.40	373.52	2.10	-56.30
CN(C1CCOCC1)S(=O)(=O)NC(CC(=O)[O-])C1=CC=CC=C1	REAL300007707902	0	44	-1.0	-39.92	341.54	3.91	-36.01
O=C([O-])CC(NS(=O)(=O)N1CC2CCC1C2)C1=CC=CC=C1	REAL300007707903	0	41	-1.0	-50.26	331.54	5.17	-45.09
CC1=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=NN1C1=CC=CC=N1	REAL300007707904	0	44	-1.0	-58.14	380.61	8.08	-50.06
CCN1N=C(C)C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=C1C	REAL300007707905	0	44	-1.0	-48.28	362.11	5.51	-42.77
CC(C)N1C=C(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)C=N1	REAL300007707906	0	41	-1.0	-47.84	354.29	4.91	-42.93
CC(C)CN1C=NC(S(=O)(=O)NC(CC(=O)[O-])C2=CC=CC=C2)=C1	REAL300007707907	0	44	-1.0	-59.33	370.91	6.66	-52.67
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C=CCC(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300007708520	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-]	REAL300007708521	0	40	-1.0	-56.31	360.62	0.48	-55.83
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C=CCC(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007708523	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-]	REAL300007708524	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-]	REAL300007708525	0	40	-1.0	-46.10	346.77	2.12	-43.98
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C=CCC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007708528	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-]	REAL300007708529	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-]	REAL300007708530	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-]	REAL300007708531	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-]	REAL300007708532	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-]	REAL300007708533	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-]	REAL300007708534	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-]	REAL300007708535	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-]	REAL300007708536	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-]	REAL300007708537	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-]	REAL300007708538	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-]	REAL300007708539	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-]	REAL300007708540	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-]	REAL300007708541	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-]	REAL300007708542	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-]	REAL300007708543	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-]	REAL300007708544	0	32	-1.0	-41.23	309.91	4.83	-36.40
C=CCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007708545	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-]	REAL300007708546	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-]	REAL300007708547	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-]	REAL300007708548	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-]	REAL300007708549	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-]	REAL300007708550	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-]	REAL300007708551	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-]	REAL300007708552	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-]	REAL300007708553	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-]	REAL300007708554	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-]	REAL300007708555	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-]	REAL300007708556	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-]	REAL300007708557	0	46	-1.0	-49.95	406.36	3.29	-46.66
C=CCC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007708558	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-]	REAL300007708559	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-]	REAL300007708560	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-]	REAL300007708561	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-]	REAL300007708562	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-]	REAL300007708563	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-]	REAL300007708564	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-]	REAL300007708565	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-]	REAL300007708566	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-]	REAL300007708567	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-]	REAL300007708568	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-]	REAL300007708569	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-]	REAL300007708570	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-]	REAL300007708571	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-]	REAL300007708572	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-]	REAL300007708573	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-]	REAL300007708574	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-]	REAL300007708575	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-]	REAL300007708576	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-]	REAL300007708577	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-]	REAL300007708578	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-]	REAL300007708579	0	41	-1.0	-45.04	358.08	5.08	-39.96
C=CCC(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300007708580	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-]	REAL300007708581	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-]	REAL300007708582	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-]	REAL300007708583	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-]	REAL300007708584	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-]	REAL300007708585	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-]	REAL300007708586	0	35	-1.0	-55.08	329.55	5.32	-49.76
C=CCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007708587	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-]	REAL300007708588	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-]	REAL300007708589	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-]	REAL300007708590	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-]	REAL300007708591	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-]	REAL300007708592	0	40	-1.0	-52.30	343.43	4.19	-48.11
C=CCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007708593	0	35	-1.0	-56.78	329.85	5.46	-51.32
C=CCC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007708594	0	34	-1.0	-45.34	291.97	0.36	-44.98
C=CCC(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007708595	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-]	REAL300007708596	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-]	REAL300007708597	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-]	REAL300007708598	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-]	REAL300007708599	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-]	REAL300007708600	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-]	REAL300007708601	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-]	REAL300007708602	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-]	REAL300007708603	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-]	REAL300007708604	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-]	REAL300007708605	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-]	REAL300007708606	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-]	REAL300007708607	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-]	REAL300007708608	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-]	REAL300007708609	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-]	REAL300007708610	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-]	REAL300007708612	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-]	REAL300007708613	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-]	REAL300007708614	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-]	REAL300007708616	0	29	-1.0	-39.79	302.18	3.77	-36.02
C=CCC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007708617	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-]	REAL300007708618	0	40	-1.0	-55.67	350.28	4.25	-51.42
C=CCC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007708619	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-]	REAL300007708620	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-]	REAL300007708621	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-]	REAL300007708622	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-]	REAL300007708623	0	40	-1.0	-58.37	341.43	0.65	-57.72
C=CCC(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007708624	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-]	REAL300007708625	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-]	REAL300007708626	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-]	REAL300007708627	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-]	REAL300007708628	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-]	REAL300007708629	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-]	REAL300007708630	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-]	REAL300007708631	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-]	REAL300007708632	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-]	REAL300007708633	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-]	REAL300007708634	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-]	REAL300007708635	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-]	REAL300007708636	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-]	REAL300007708637	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-]	REAL300007708638	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-]	REAL300007708639	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-]	REAL300007708640	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-]	REAL300007708641	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-]	REAL300007708642	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-]	REAL300007708643	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-]	REAL300007708644	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-]	REAL300007708645	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-]	REAL300007708646	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-]	REAL300007708647	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-]	REAL300007708648	0	44	-1.0	-53.60	342.54	6.59	-47.01
C=CCC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007708649	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-]	REAL300007708650	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-]	REAL300007708651	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-]	REAL300007708652	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-]	REAL300007708653	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-]	REAL300007708654	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-]	REAL300007708655	0	32	-1.0	-49.85	307.50	4.52	-45.33
C=CCC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007708656	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-]	REAL300007708657	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-]	REAL300007708658	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-]	REAL300007708659	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-]	REAL300007708660	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-]	REAL300007708661	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-]	REAL300007708662	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-]	REAL300007708663	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-]	REAL300007708664	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-]	REAL300007708665	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-]	REAL300007708666	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-]	REAL300007708667	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-]	REAL300007708668	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-]	REAL300007708669	0	37	-1.0	-55.08	334.12	5.05	-50.03
C=CCC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007708670	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-]	REAL300007708671	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-]	REAL300007708672	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-]	REAL300007708673	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-]	REAL300007708674	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-]	REAL300007708675	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-]	REAL300007708676	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-]	REAL300007708677	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-]	REAL300007708678	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-]	REAL300007708679	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-]	REAL300007708680	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-]	REAL300007708681	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-]	REAL300007708682	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-]	REAL300007708683	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-]	REAL300007708684	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-]	REAL300007708685	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-]	REAL300007708686	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-]	REAL300007708687	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-]	REAL300007708688	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-]	REAL300007708689	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-]	REAL300007708690	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-]	REAL300007708691	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-]	REAL300007708692	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-]	REAL300007708693	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-]	REAL300007708694	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-]	REAL300007708695	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-]	REAL300007708696	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-]	REAL300007708697	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-]	REAL300007708698	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-]	REAL300007708699	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-]	REAL300007708700	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-]	REAL300007708701	0	39	-1.0	-53.33	345.13	4.03	-49.30
C=CCC(NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300007708702	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-]	REAL300007708703	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-]	REAL300007708704	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-]	REAL300007708705	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-]	REAL300007708706	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-]	REAL300007708707	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-]	REAL300007708708	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-]	REAL300007708709	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-]	REAL300007708710	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-]	REAL300007708711	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-]	REAL300007708712	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-]	REAL300007708713	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-]	REAL300007708714	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-]	REAL300007708715	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-]	REAL300007708716	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-]	REAL300007708717	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-]	REAL300007708718	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-]	REAL300007708719	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-]	REAL300007708720	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-]	REAL300007708721	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-]	REAL300007708722	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-]	REAL300007708723	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-]	REAL300007708724	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-]	REAL300007708725	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-]	REAL300007708726	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-]	REAL300007708727	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-]	REAL300007708728	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-]	REAL300007708729	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-]	REAL300007708730	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-]	REAL300007708731	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-]	REAL300007708732	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-]	REAL300007708733	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-]	REAL300007708734	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-]	REAL300007708735	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-]	REAL300007708736	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-]	REAL300007708737	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-]	REAL300007708738	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-]	REAL300007708739	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-]	REAL300007708740	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-]	REAL300007708741	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-]	REAL300007708742	0	45	-1.0	-52.81	384.60	6.10	-46.71
C=CCC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007708743	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-]	REAL300007708744	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-]	REAL300007708745	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-]	REAL300007708746	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-]	REAL300007708747	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-]	REAL300007708748	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-]	REAL300007708749	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-]	REAL300007708750	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-]	REAL300007708751	0	40	-1.0	-41.89	338.79	5.34	-36.55
C=CCC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007708752	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-]	REAL300007708753	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-]	REAL300007708754	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-]	REAL300007708755	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-]	REAL300007708756	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-]	REAL300007708757	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-]	REAL300007708758	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-]	REAL300007708759	0	40	-1.0	-48.01	332.14	4.82	-43.19
C=CCC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007708760	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-]	REAL300007708761	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-]	REAL300007708762	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-]	REAL300007708763	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-]	REAL300007708764	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-]	REAL300007708765	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-]	REAL300007708766	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-]	REAL300007708767	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-]	REAL300007708768	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-]	REAL300007708769	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-]	REAL300007708770	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-]	REAL300007708771	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-]	REAL300007708772	0	32	-1.0	-51.71	302.03	2.32	-49.39
C=CCC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007708773	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-]	REAL300007708774	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-]	REAL300007708775	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-]	REAL300007708776	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-]	REAL300007708777	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-]	REAL300007708778	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-]	REAL300007708779	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-]	REAL300007708780	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-]	REAL300007708781	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-]	REAL300007708782	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-]	REAL300007708783	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-]	REAL300007708784	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-]	REAL300007708785	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-]	REAL300007708786	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-]	REAL300007708787	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-]	REAL300007708788	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-]	REAL300007708789	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-]	REAL300007708790	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-]	REAL300007708791	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-]	REAL300007708792	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-]	REAL300007708793	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-]	REAL300007708794	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-]	REAL300007708795	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-]	REAL300007708796	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-]	REAL300007708797	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-]	REAL300007708798	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-]	REAL300007708799	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-]	REAL300007708800	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-]	REAL300007708801	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-]	REAL300007708802	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-]	REAL300007708803	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-]	REAL300007708804	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-]	REAL300007708805	0	38	-1.0	-54.12	355.00	4.98	-49.14
C=CCC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007708806	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-]	REAL300007708807	0	36	-1.0	-60.85	333.67	1.38	-59.47
C=CCC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007708808	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-]	REAL300007708809	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-]	REAL300007708810	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-]	REAL300007708811	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-]	REAL300007708812	0	42	-1.0	-45.13	359.29	5.27	-39.86
C=CCC(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300007708813	0	42	-1.0	-54.43	345.55	3.83	-50.60
C=CCC(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300007708814	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-]	REAL300007708815	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-]	REAL300007708816	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-]	REAL300007708817	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-]	REAL300007708818	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-]	REAL300007708819	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-]	REAL300007708820	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-]	REAL300007708821	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-]	REAL300007708822	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-]	REAL300007708823	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-]	REAL300007708824	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-]	REAL300007708825	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-]	REAL300007708826	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-]	REAL300007708827	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-]	REAL300007708828	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-]	REAL300007708829	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-]	REAL300007708830	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-]	REAL300007708831	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-]	REAL300007708832	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-]	REAL300007708833	0	48	-1.0	-42.90	393.80	8.06	-34.84
C=CCC(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007708834	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-]	REAL300007708835	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-]	REAL300007708836	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-]	REAL300007708837	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-]	REAL300007708838	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	REAL300007708839	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-]	REAL300007708840	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-]	REAL300007708841	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-]	REAL300007708842	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-]	REAL300007708843	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-]	REAL300007708844	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-]	REAL300007708845	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-]	REAL300007708846	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-]	REAL300007708847	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-]	REAL300007708848	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-]	REAL300007708849	0	44	-1.0	-51.75	397.66	7.37	-44.38
C=CCC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007708850	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-]	REAL300007708851	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-]	REAL300007708852	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-]	REAL300007708853	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-]	REAL300007708854	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-]	REAL300007708855	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-]	REAL300007708856	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-]	REAL300007708857	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-]	REAL300007708858	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-]	REAL300007708859	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-]	REAL300007708860	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-]	REAL300007708861	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-]	REAL300007708862	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-]	REAL300007708863	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-]	REAL300007708864	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-]	REAL300007708865	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-]	REAL300007708866	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-]	REAL300007708867	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-]	REAL300007708868	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-]	REAL300007708869	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-]	REAL300007708870	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-]	REAL300007708871	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-]	REAL300007708872	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-]	REAL300007708873	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-]	REAL300007708874	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-]	REAL300007708875	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-]	REAL300007708876	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-]	REAL300007708877	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-]	REAL300007708878	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-]	REAL300007708879	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-]	REAL300007708880	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-]	REAL300007708881	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-]	REAL300007708882	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-]	REAL300007708883	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-]	REAL300007708884	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-]	REAL300007708885	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-]	REAL300007708886	0	29	-1.0	-55.80	282.07	3.16	-52.64
C=CCC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007708887	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-]	REAL300007708888	0	38	-1.0	-49.04	327.33	3.39	-45.65
C=CCC(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007708889	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-]	REAL300007708890	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-]	REAL300007708891	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-]	REAL300007708892	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-]	REAL300007708893	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-]	REAL300007708894	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-]	REAL300007708895	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-]	REAL300007708896	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-]	REAL300007708897	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-]	REAL300007708898	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-]	REAL300007708899	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-]	REAL300007708900	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-]	REAL300007708901	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-]	REAL300007708902	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-]	REAL300007708903	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-]	REAL300007708904	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-]	REAL300007708905	0	33	-1.0	-52.57	323.20	5.37	-47.20
C=CCC(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007708906	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-]	REAL300007708907	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-]	REAL300007708908	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-]	REAL300007708909	0	46	-1.0	-42.53	345.18	6.42	-36.11
C=CCC(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007708910	0	37	-1.0	-53.05	335.34	0.32	-52.73
C=CCC(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007708911	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-]	REAL300007708912	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-]	REAL300007708913	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-]	REAL300007708914	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-]	REAL300007708915	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-]	REAL300007708916	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-]	REAL300007708917	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-]	REAL300007708918	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-]	REAL300007708919	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-]	REAL300007708920	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-]	REAL300007708921	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-]	REAL300007708922	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-]	REAL300007708923	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-]	REAL300007708924	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-]	REAL300007708925	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-]	REAL300007708926	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-]	REAL300007708927	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-]	REAL300007708928	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-]	REAL300007708929	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-]	REAL300007708930	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-]	REAL300007708931	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-]	REAL300007708932	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-]	REAL300007708933	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-]	REAL300007708934	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-]	REAL300007708935	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-]	REAL300007708936	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-]	REAL300007708937	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-]	REAL300007708938	0	35	-1.0	-50.52	327.80	5.38	-45.14
C=CCC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007708939	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-]	REAL300007708940	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-]	REAL300007708941	0	35	-1.0	-44.80	322.83	6.30	-38.50
C=CCC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007708942	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-]	REAL300007708943	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-]	REAL300007708944	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-]	REAL300007708945	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-]	REAL300007708946	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-]	REAL300007708947	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-]	REAL300007708948	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-]	REAL300007708949	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-]	REAL300007708950	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-]	REAL300007708951	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-]	REAL300007708952	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-]	REAL300007708953	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-]	REAL300007708954	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-]	REAL300007708955	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-]	REAL300007708956	0	34	-1.0	-51.93	296.44	4.84	-47.09
C=CCC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007708957	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-]	REAL300007708958	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-]	REAL300007708959	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-]	REAL300007708960	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-]	REAL300007708961	0	34	-1.0	-52.76	303.38	3.88	-48.88
C=CCC(NS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300007708962	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-]	REAL300007708963	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-]	REAL300007708964	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-]	REAL300007708965	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-]	REAL300007708966	0	42	-1.0	-46.17	356.33	5.60	-40.57
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2)CCSCC1	REAL300007708967	0	33	-1.0	-55.30	270.54	4.71	-50.59
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(F)=C2)CCSCC1	REAL300007708968	0	33	-1.0	-55.22	275.00	4.78	-50.44
CC(=O)C1=CC=CC(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)=C1	REAL300007708969	0	38	-1.0	-67.39	309.84	5.12	-62.27
CCCCN(C)S(=O)(=O)NC1(C(=O)[O-])CCSCC1	REAL300007708970	0	40	-1.0	-53.84	307.02	5.03	-48.81
O=C([O-])C1(NS(=O)(=O)C2=CC=CS2)CCSCC1	REAL300007708971	0	30	-1.0	-53.90	259.72	3.69	-50.21
CCC(C)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300007708972	0	45	-1.0	-52.96	348.22	7.30	-45.66
CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)S1	REAL300007708973	0	33	-1.0	-54.19	281.20	4.44	-49.75
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)S2)CCSCC1	REAL300007708974	0	30	-1.0	-48.31	283.13	4.51	-43.80
COC1=CC=C(C)C=C1S(=O)(=O)NC1(C(=O)[O-])CCSCC1	REAL300007708975	0	40	-1.0	-58.18	318.26	5.57	-52.61
CC1=CC=C(Br)C=C1S(=O)(=O)NC1(C(=O)[O-])CCSCC1	REAL300007708976	0	36	-1.0	-36.55	306.11	5.74	-30.81
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)CCSCC1	REAL300007708977	0	37	-1.0	-38.29	317.27	5.00	-33.29
O=C([O-])C1(NS(=O)(=O)N2CCOCC2)CCSCC1	REAL300007708978	0	36	-1.0	-52.00	273.91	2.06	-49.94
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300007708979	0	39	-1.0	-58.49	330.24	2.23	-56.26
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CCSCC1	REAL300007708980	0	37	-1.0	-53.20	314.58	4.51	-48.69
COC1=CC(C)=C(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)C=C1OC	REAL300007708981	0	44	-1.0	-43.20	345.87	4.61	-38.59
CC1=CC(Cl)=CC=C1S(=O)(=O)NC1(C(=O)[O-])CCSCC1	REAL300007708982	0	36	-1.0	-36.72	304.08	5.79	-30.93
CN1C=C(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)C=N1	REAL300007708983	0	33	-1.0	-48.93	274.09	2.20	-46.73
CN(C1CCCCC1)S(=O)(=O)NC1(C(=O)[O-])CCSCC1	REAL300007708984	0	44	-1.0	-36.38	320.76	5.31	-31.07
CC1=NN(C)C(C)=C1S(=O)(=O)NC1(C(=O)[O-])CCSCC1	REAL300007708985	0	39	-1.0	-48.59	304.74	3.34	-45.25
O=C([O-])C1(NS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)CCSCC1	REAL300007708986	0	49	-1.0	-52.92	371.40	8.52	-44.40
O=C([O-])C1(NS(=O)(=O)C2=CC=C3OCCOC3=C2)CCSCC1	REAL300007708987	0	39	-1.0	-56.92	313.85	3.83	-53.09
CCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300007708988	0	39	-1.0	-53.20	312.44	6.15	-47.05
O=C([O-])C1(NS(=O)(=O)C2=CC=CC=C2Br)CCSCC1	REAL300007708989	0	33	-1.0	-36.69	286.67	5.14	-31.55
O=C([O-])C1(NS(=O)(=O)C2=CC=CC(Br)=C2)CCSCC1	REAL300007708990	0	33	-1.0	-54.16	289.90	5.34	-48.82
CC1=NNC=C1S(=O)(=O)NC1(C(=O)[O-])CCSCC1	REAL300007708991	0	33	-1.0	-49.01	266.94	1.60	-47.41
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC1(C(=O)[O-])CCSCC1	REAL300007708992	0	38	-1.0	-41.00	300.48	6.60	-34.40
O=C([O-])C1(NS(=O)(=O)CCC2=CC=CC(Cl)=C2)CCSCC1	REAL300007708993	0	39	-1.0	-53.17	333.57	6.81	-46.36
CN(C)S(=O)(=O)CCCS(=O)(=O)NC1(C(=O)[O-])CCSCC1	REAL300007708994	0	43	-1.0	-63.97	354.85	1.37	-62.60
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300007708995	0	44	-1.0	-49.22	352.04	6.52	-42.70
CC1=CC(F)=CC(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)=C1	REAL300007708996	0	36	-1.0	-48.77	297.30	5.45	-43.32
O=C([O-])C1(NS(=O)(=O)C2=CC3=CC=CC=C3OC2)CCSCC1	REAL300007708997	0	39	-1.0	-53.00	312.37	5.16	-47.84
COCC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300007708998	0	40	-1.0	-55.36	325.61	4.44	-50.92
CCOC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)C=N1	REAL300007708999	0	39	-1.0	-49.76	319.64	2.33	-47.43
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC2(C(=O)[O-])CCSCC2)C=C1	REAL300007709000	0	42	-1.0	-65.92	354.57	2.91	-63.01
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710188	0	36	-1.0	-52.21	303.11	4.93	-47.28
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710189	0	43	-1.0	-53.14	350.43	5.37	-47.77
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300007710190	0	43	-1.0	-53.14	365.41	2.08	-51.06
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007710191	0	50	-1.0	-47.46	361.16	6.66	-40.80
CC1=NC2=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=CC=C2C=C1	REAL300007710192	0	40	-1.0	-61.12	331.74	6.51	-54.61
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007710193	0	40	-1.0	-55.53	338.67	6.94	-48.59
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007710194	0	43	-1.0	-52.96	351.05	3.57	-49.39
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710195	0	46	-1.0	-52.51	390.25	6.16	-46.35
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710196	0	46	-1.0	-53.43	383.90	6.19	-47.24
CCCN1C=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710197	0	38	-1.0	-56.93	321.34	5.77	-51.16
COCCOCCOCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710198	0	46	-1.0	-53.67	382.61	2.33	-51.34
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710199	0	48	-1.0	-51.98	374.41	6.41	-45.57
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710200	0	39	-1.0	-49.41	342.12	5.33	-44.08
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007710201	0	40	-1.0	-52.47	332.43	2.80	-49.67
COC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710202	0	36	-1.0	-49.96	324.68	4.95	-45.01
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007710203	0	36	-1.0	-51.14	312.64	5.18	-45.96
COC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007710204	0	38	-1.0	-49.25	329.58	5.73	-43.52
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710205	0	38	-1.0	-46.99	319.40	6.39	-40.60
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710206	0	38	-1.0	-50.73	316.56	6.30	-44.43
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007710207	0	38	-1.0	-46.95	328.49	6.50	-40.45
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710208	0	41	-1.0	-52.77	329.06	7.22	-45.55
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300007710209	0	44	-1.0	-50.59	347.79	1.99	-48.60
CCOC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710210	0	39	-1.0	-54.26	325.21	5.26	-49.00
COCCN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300007710211	0	39	-1.0	-50.40	333.61	2.65	-47.75
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300007710212	0	39	-1.0	-53.69	338.24	5.57	-48.12
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1C	REAL300007710213	0	59	-1.0	-49.72	459.30	9.54	-40.18
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007710214	0	40	-1.0	-53.83	347.85	7.17	-46.66
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300007710215	0	37	-1.0	-54.20	315.25	5.36	-48.84
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300007710216	0	35	-1.0	-51.87	318.95	6.38	-45.49
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300007710217	0	35	-1.0	-54.05	314.32	6.31	-47.74
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300007710218	0	39	-1.0	-69.24	338.49	2.89	-66.35
CC1=CC(Br)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710219	0	35	-1.0	-48.31	316.57	6.31	-42.00
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710220	0	35	-1.0	-47.01	295.89	5.80	-41.21
COCC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710221	0	39	-1.0	-50.19	313.68	4.67	-45.52
COC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300007710222	0	36	-1.0	-47.41	323.98	4.96	-42.45
COC1=CC(OC)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300007710223	0	40	-1.0	-52.87	342.11	4.74	-48.13
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300007710224	0	35	-1.0	-56.95	317.84	4.10	-52.85
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300007710225	0	35	-1.0	-56.52	311.78	3.93	-52.59
CC1(C)CC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C2O1	REAL300007710226	0	43	-1.0	-50.95	351.28	6.28	-44.67
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300007710227	0	35	-1.0	-58.39	313.26	4.11	-54.28
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710228	0	43	-1.0	-55.18	356.64	3.95	-51.23
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710229	0	44	-1.0	-56.53	377.51	4.26	-52.27
CSC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710230	0	36	-1.0	-54.45	301.90	5.60	-48.85
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300007710231	0	40	-1.0	-52.93	353.01	1.76	-51.17
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710232	0	46	-1.0	-54.06	393.00	2.83	-51.23
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710233	0	43	-1.0	-68.06	351.60	5.03	-63.03
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300007710234	0	43	-1.0	-51.97	374.48	2.65	-49.32
CCC1=CC=C(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710235	0	41	-1.0	-50.64	340.75	7.18	-43.46
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300007710236	0	35	-1.0	-52.01	309.38	5.63	-46.38
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300007710237	0	47	-1.0	-48.02	387.81	5.43	-42.59
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300007710238	0	44	-1.0	-66.97	363.80	4.39	-62.58
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710239	0	41	-1.0	-62.01	356.23	3.41	-58.60
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710240	0	42	-1.0	-60.40	359.06	2.38	-58.02
CC1=CC=C(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300007710241	0	41	-1.0	-53.45	336.03	6.95	-46.50
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300007710242	0	39	-1.0	-51.56	345.82	5.88	-45.68
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007710243	0	46	-1.0	-49.39	382.24	8.05	-41.34
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300007710244	0	36	-1.0	-50.72	322.97	5.64	-45.08
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710245	0	39	-1.0	-52.00	344.14	5.59	-46.41
CC1(C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCO1	REAL300007710246	0	41	-1.0	-48.95	320.02	3.24	-45.71
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2S1	REAL300007710247	0	46	-1.0	-51.13	386.88	6.98	-44.15
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710248	0	39	-1.0	-51.74	335.98	6.04	-45.70
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300007710249	0	44	-1.0	-52.83	364.60	6.57	-46.26
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710250	0	39	-1.0	-58.74	338.02	-0.26	-59.00
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300007710251	0	38	-1.0	-50.95	327.44	6.27	-44.68
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300007710252	0	35	-1.0	-50.58	329.49	6.98	-43.60
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300007710253	0	38	-1.0	-53.02	337.63	7.82	-45.20
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300007710254	0	35	-1.0	-51.59	320.42	6.63	-44.96
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300007710255	0	38	-1.0	-53.57	325.60	7.81	-45.76
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300007710256	0	38	-1.0	-52.22	334.88	6.81	-45.41
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300007710257	0	43	-1.0	-51.37	355.25	6.36	-45.01
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300007710258	0	46	-1.0	-53.96	385.20	8.42	-45.54
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710259	0	45	-1.0	-55.66	381.30	6.60	-49.06
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300007710260	0	43	-1.0	-56.93	374.17	2.06	-54.87
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300007710261	0	41	-1.0	-48.70	340.38	7.82	-40.88
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1N(C)C	REAL300007710262	0	43	-1.0	-48.00	348.67	5.64	-42.36
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300007710263	0	38	-1.0	-52.06	336.58	6.99	-45.07
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300007710264	0	37	-1.0	-54.35	310.89	1.94	-52.41
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300007710265	0	45	-1.0	-48.75	358.86	5.49	-43.26
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300007710266	0	39	-1.0	-45.06	323.47	5.19	-39.87
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710267	0	41	-1.0	-62.35	358.36	3.28	-59.07
CSC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300007710268	0	36	-1.0	-51.55	329.27	6.46	-45.09
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710269	0	44	-1.0	-50.24	346.19	5.51	-44.73
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300007710270	0	40	-1.0	-49.58	345.03	3.59	-45.99
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C12	REAL300007710271	0	39	-1.0	-49.49	335.13	2.74	-46.75
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300007710272	0	43	-1.0	-53.07	370.46	4.86	-48.21
CN1N=CC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CN=C21	REAL300007710273	0	37	-1.0	-53.48	318.21	4.16	-49.32
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300007710274	0	38	-1.0	-48.32	341.25	7.88	-40.44
CCC1=CC(CC)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(CC)=C1	REAL300007710275	0	50	-1.0	-49.76	367.25	9.06	-40.70
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300007710276	0	39	-1.0	-58.42	319.80	5.05	-53.37
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300007710277	0	38	-1.0	-49.05	342.47	3.12	-45.93
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300007710278	0	41	-1.0	-60.17	339.55	8.81	-51.36
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1F	REAL300007710279	0	39	-1.0	-48.29	312.25	4.62	-43.67
CC1(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CCCCC1	REAL300007710280	0	44	-1.0	-51.04	323.74	6.56	-44.48
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300007710281	0	41	-1.0	-51.82	334.74	6.48	-45.34
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300007710283	0	40	-1.0	-51.25	343.30	6.33	-44.92
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710284	0	39	-1.0	-51.17	345.69	5.26	-45.91
CC1=CC=C(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300007710285	0	38	-1.0	-56.27	324.34	6.46	-49.81
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300007710287	0	32	-1.0	-49.52	306.41	5.22	-44.30
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300007710288	0	45	-1.0	-50.55	362.85	8.31	-42.24
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=NO1	REAL300007710289	0	43	-1.0	-56.67	355.73	5.75	-50.92
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300007710290	0	41	-1.0	-58.62	335.04	2.20	-56.42
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007710291	0	35	-1.0	-47.58	310.25	5.46	-42.12
CC1=C(CCS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)SC=N1	REAL300007710292	0	37	-1.0	-50.76	323.33	4.24	-46.52
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC23CCC(CC2)C3)C1	REAL300007710293	0	42	-1.0	-49.10	318.78	6.48	-42.62
COC1=CC=C2C=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)CCC2=C1	REAL300007710294	0	44	-1.0	-51.42	357.79	6.73	-44.69
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300007710295	0	45	-1.0	-49.20	331.55	7.03	-42.17
CC(C)(CCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)S(C)(=O)=O	REAL300007710296	0	43	-1.0	-64.77	347.37	2.12	-62.65
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300007710297	0	41	-1.0	-49.27	326.41	6.20	-43.07
O=C([O-])[C@@H]1CCCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300007710298	0	39	-1.0	-51.04	324.82	7.14	-43.90
CCC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007710299	0	40	-1.0	-46.31	336.47	6.81	-39.50
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300007710300	0	32	-1.0	-48.66	290.62	5.55	-43.11
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300007710301	0	32	-1.0	-48.55	295.18	5.65	-42.90
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007710302	0	34	-1.0	-49.12	302.11	5.70	-43.42
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300007710303	0	38	-1.0	-50.91	320.01	7.28	-43.63
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300007710304	0	34	-1.0	-57.08	302.28	5.66	-51.42
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710305	0	37	-1.0	-54.82	306.04	5.97	-48.85
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300007710306	0	34	-1.0	-62.46	294.50	6.84	-55.62
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710307	0	39	-1.0	-50.95	339.64	6.40	-44.55
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710308	0	39	-1.0	-50.25	325.20	5.26	-44.99
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1C	REAL300007710309	0	44	-1.0	-48.51	328.05	7.38	-41.13
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300007710310	0	41	-1.0	-50.42	317.38	6.99	-43.43
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710311	0	47	-1.0	-46.86	353.55	7.63	-39.23
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300007710312	0	35	-1.0	-46.07	313.12	6.00	-40.07
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300007710313	0	35	-1.0	-54.06	302.33	6.49	-47.57
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300007710314	0	32	-1.0	-46.41	290.79	5.51	-40.90
CC(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710315	0	37	-1.0	-51.35	316.61	5.52	-45.83
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007710316	0	38	-1.0	-59.47	329.61	5.74	-53.73
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710317	0	44	-1.0	-50.48	350.06	7.36	-43.12
CC(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710318	0	41	-1.0	-50.51	334.12	6.96	-43.55
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710319	0	43	-1.0	-54.14	368.64	3.07	-51.07
CCCC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710320	0	41	-1.0	-50.58	338.28	7.25	-43.33
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300007710321	0	36	-1.0	-51.82	323.97	4.96	-46.86
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300007710322	0	35	-1.0	-47.15	313.56	6.17	-40.98
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)=C1	REAL300007710323	0	46	-1.0	-50.76	385.66	8.62	-42.14
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007710324	0	36	-1.0	-49.14	319.84	4.82	-44.32
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1C	REAL300007710325	0	47	-1.0	-49.31	340.66	7.81	-41.50
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300007710326	0	41	-1.0	-53.74	336.88	4.94	-48.80
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710327	0	48	-1.0	-53.06	374.53	7.15	-45.91
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007710328	0	37	-1.0	-46.56	318.27	6.18	-40.38
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710329	0	36	-1.0	-51.36	317.92	5.48	-45.88
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710330	0	50	-1.0	-49.34	373.46	8.71	-40.63
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300007710331	0	35	-1.0	-48.53	312.59	6.03	-42.50
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300007710332	0	42	-1.0	-49.80	337.05	7.48	-42.32
COC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710333	0	40	-1.0	-54.45	326.11	4.15	-50.30
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300007710334	0	40	-1.0	-51.72	332.79	4.19	-47.53
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300007710335	0	39	-1.0	-51.86	319.38	6.94	-44.92
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300007710336	0	40	-1.0	-51.22	328.33	7.43	-43.79
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300007710337	0	37	-1.0	-51.49	309.81	4.89	-46.60
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710338	0	47	-1.0	-50.51	377.31	8.54	-41.97
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1OCC	REAL300007710339	0	46	-1.0	-49.30	376.53	6.04	-43.26
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710340	0	37	-1.0	-55.63	328.07	-0.01	-55.64
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300007710341	0	40	-1.0	-56.30	335.49	6.75	-49.55
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1C	REAL300007710342	0	40	-1.0	-54.58	324.02	6.52	-48.06
CC1=CC2=CC=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2N=C1	REAL300007710343	0	40	-1.0	-54.38	329.46	6.71	-47.67
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300007710344	0	38	-1.0	-57.07	322.19	5.97	-51.10
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710345	0	36	-1.0	-50.65	315.11	5.37	-45.28
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710346	0	37	-1.0	-60.47	328.24	-0.05	-60.52
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300007710347	0	44	-1.0	-51.33	383.08	2.84	-48.49
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710348	0	40	-1.0	-51.35	341.83	6.56	-44.79
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300007710349	0	41	-1.0	-49.54	331.01	6.33	-43.21
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CN=C12	REAL300007710350	0	40	-1.0	-52.11	324.05	6.26	-45.85
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300007710351	0	40	-1.0	-56.22	325.62	7.77	-48.45
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710352	0	43	-1.0	-54.09	369.43	3.03	-51.06
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CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710354	0	38	-1.0	-54.87	334.77	2.51	-52.36
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300007710355	0	42	-1.0	-52.88	339.76	8.71	-44.17
CC1CC(C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300007710356	0	43	-1.0	-49.48	333.68	5.41	-44.07
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300007710357	0	38	-1.0	-53.26	308.79	7.32	-45.94
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CC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710359	0	35	-1.0	-50.74	284.03	5.39	-45.35
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300007710360	0	46	-1.0	-51.85	363.29	6.89	-44.96
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300007710361	0	33	-1.0	-58.39	297.65	3.37	-55.02
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710362	0	36	-1.0	-51.44	313.37	5.38	-46.06
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710363	0	47	-1.0	-50.45	364.32	7.82	-42.63
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300007710364	0	35	-1.0	-46.57	309.53	6.09	-40.48
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710365	0	42	-1.0	-51.04	343.15	5.88	-45.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300007710366	0	35	-1.0	-51.93	314.38	6.27	-45.66
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300007710367	0	33	-1.0	-60.80	289.69	3.77	-57.03
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300007710368	0	37	-1.0	-53.76	331.47	7.68	-46.08
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300007710369	0	37	-1.0	-55.02	308.07	6.07	-48.95
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300007710370	0	43	-1.0	-52.47	380.06	8.47	-44.00
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710371	0	38	-1.0	-50.10	326.57	5.49	-44.61
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300007710372	0	36	-1.0	-53.12	309.77	4.36	-48.76
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300007710373	0	35	-1.0	-46.54	300.78	5.69	-40.85
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300007710374	0	43	-1.0	-49.56	379.30	8.39	-41.17
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)C=C1	REAL300007710375	0	47	-1.0	-50.99	392.06	7.17	-43.82
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C(C)C)=C1	REAL300007710376	0	59	-1.0	-49.98	430.38	10.80	-39.18
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300007710377	0	48	-1.0	-52.31	377.19	8.23	-44.08
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300007710378	0	35	-1.0	-50.77	329.80	6.72	-44.05
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300007710379	0	42	-1.0	-52.62	337.13	6.66	-45.96
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710380	0	37	-1.0	-49.29	309.29	6.08	-43.21
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710381	0	37	-1.0	-54.31	303.41	5.88	-48.43
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710382	0	40	-1.0	-52.35	327.90	7.30	-45.05
CC(C)CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710383	0	44	-1.0	-50.53	355.04	7.71	-42.82
COCCC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710384	0	42	-1.0	-51.10	350.45	5.54	-45.56
COCCN(CCOC)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710385	0	44	-1.0	-53.75	351.98	3.14	-50.61
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710386	0	35	-1.0	-49.92	294.38	5.84	-44.08
COC1=C(C)C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300007710387	0	42	-1.0	-49.46	345.39	5.79	-43.67
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710388	0	48	-1.0	-49.87	385.80	7.36	-42.51
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300007710389	0	46	-1.0	-50.90	367.96	7.22	-43.68
CC(C)COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710390	0	45	-1.0	-49.95	366.84	6.75	-43.20
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710391	0	42	-1.0	-49.99	346.73	6.05	-43.94
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300007710392	0	36	-1.0	-51.86	319.58	4.84	-47.02
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300007710393	0	36	-1.0	-50.48	329.33	5.12	-45.36
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300007710394	0	39	-1.0	-48.94	323.63	5.03	-43.91
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1OC(C)C	REAL300007710395	0	45	-1.0	-48.83	363.42	6.58	-42.25
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300007710396	0	39	-1.0	-49.94	309.80	4.67	-45.27
COCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710397	0	43	-1.0	-52.08	358.86	4.52	-47.56
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300007710398	0	35	-1.0	-56.44	302.93	5.78	-50.66
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710399	0	35	-1.0	-49.08	302.30	6.03	-43.05
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1C	REAL300007710400	0	40	-1.0	-59.67	318.10	7.37	-52.30
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710401	0	41	-1.0	-55.11	338.53	2.82	-52.29
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300007710402	0	44	-1.0	-54.20	382.90	2.88	-51.32
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710403	0	40	-1.0	-54.68	350.46	1.20	-53.48
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710404	0	40	-1.0	-67.73	328.71	2.66	-65.07
CC1=NC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300007710405	0	34	-1.0	-48.37	298.33	3.33	-45.04
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC3=CC=CC=C32)C1	REAL300007710406	0	35	-1.0	-50.18	303.63	6.11	-44.07
COC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1F	REAL300007710407	0	36	-1.0	-47.70	309.78	4.36	-43.34
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300007710408	0	42	-1.0	-53.59	348.26	8.40	-45.19
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300007710409	0	35	-1.0	-49.47	331.61	6.75	-42.72
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)S2)=CS1	REAL300007710410	0	38	-1.0	-52.07	353.28	5.59	-46.48
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300007710411	0	52	-1.0	-50.74	408.44	8.65	-42.09
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710412	0	40	-1.0	-59.55	331.50	6.58	-52.97
CNC(=O)C1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CN1C	REAL300007710413	0	40	-1.0	-52.00	338.00	2.65	-49.35
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300007710414	0	42	-1.0	-50.22	326.08	5.70	-44.52
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300007710415	0	43	-1.0	-52.54	358.08	9.15	-43.39
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300007710416	0	42	-1.0	-50.69	327.13	5.31	-45.38
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300007710417	0	40	-1.0	-49.02	317.38	6.07	-42.95
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300007710418	0	37	-1.0	-53.08	304.01	5.56	-47.52
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)=C2	REAL300007710419	0	45	-1.0	-53.74	373.68	8.86	-44.88
CCN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007710420	0	37	-1.0	-60.08	325.94	5.78	-54.30
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300007710421	0	39	-1.0	-51.11	344.77	5.72	-45.39
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300007710422	0	46	-1.0	-51.30	385.11	8.32	-42.98
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710423	0	40	-1.0	-51.94	337.14	6.25	-45.69
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300007710424	0	42	-1.0	-55.34	359.86	6.59	-48.75
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300007710425	0	35	-1.0	-68.35	301.42	4.22	-64.13
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710426	0	54	-1.0	-49.36	412.21	7.98	-41.38
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710427	0	40	-1.0	-59.37	351.19	1.65	-57.72
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300007710428	0	35	-1.0	-52.24	304.06	5.83	-46.41
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300007710429	0	45	-1.0	-52.27	358.99	7.59	-44.68
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710430	0	42	-1.0	-54.25	341.65	6.44	-47.81
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300007710431	0	37	-1.0	-65.72	322.33	5.17	-60.55
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300007710432	0	39	-1.0	-54.45	334.42	6.15	-48.30
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710433	0	46	-1.0	-52.01	380.72	5.49	-46.52
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710434	0	48	-1.0	-49.87	389.73	7.61	-42.26
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300007710435	0	42	-1.0	-49.88	318.53	7.10	-42.78
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300007710436	0	38	-1.0	-56.05	322.23	6.84	-49.21
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300007710437	0	36	-1.0	-49.83	330.24	6.50	-43.33
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300007710438	0	37	-1.0	-50.42	309.83	4.33	-46.09
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300007710439	0	40	-1.0	-60.51	337.50	6.28	-54.23
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300007710440	0	38	-1.0	-61.02	314.11	1.39	-59.63
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300007710441	0	37	-1.0	-56.85	322.33	5.17	-51.68
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300007710442	0	42	-1.0	-51.02	332.32	5.65	-45.37
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710443	0	40	-1.0	-51.83	350.68	1.16	-50.67
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300007710444	0	36	-1.0	-52.16	306.53	5.13	-47.03
CSC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710445	0	36	-1.0	-50.07	314.05	6.05	-44.02
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300007710446	0	38	-1.0	-52.33	336.71	6.78	-45.55
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710447	0	43	-1.0	-51.46	346.26	6.93	-44.53
CCN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)N=C1C	REAL300007710448	0	38	-1.0	-55.27	319.56	4.83	-50.44
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300007710449	0	38	-1.0	-51.80	308.57	4.56	-47.24
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300007710450	0	37	-1.0	-51.33	303.92	5.42	-45.91
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300007710451	0	44	-1.0	-53.65	367.54	7.01	-46.64
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300007710452	0	38	-1.0	-51.78	328.49	6.51	-45.27
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300007710453	0	38	-1.0	-53.32	347.09	5.73	-47.59
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300007710454	0	41	-1.0	-54.70	338.69	6.63	-48.07
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C12	REAL300007710455	0	40	-1.0	-53.21	340.21	4.75	-48.46
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710456	0	39	-1.0	-53.90	342.51	5.62	-48.28
COCC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710457	0	39	-1.0	-52.95	328.94	4.75	-48.20
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2O1	REAL300007710458	0	43	-1.0	-57.57	350.33	6.24	-51.33
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300007710459	0	35	-1.0	-54.42	311.08	6.19	-48.23
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300007710460	0	44	-1.0	-61.72	371.32	3.63	-58.09
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007710461	0	39	-1.0	-50.38	343.86	5.54	-44.84
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300007710462	0	40	-1.0	-54.54	331.62	5.73	-48.81
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300007710463	0	35	-1.0	-51.52	325.17	6.64	-44.88
CC1CC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C2O1	REAL300007710464	0	40	-1.0	-51.20	330.87	5.65	-45.55
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710465	0	44	-1.0	-49.99	323.50	7.57	-42.42
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710466	0	44	-1.0	-55.76	349.86	3.34	-52.42
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300007710467	0	43	-1.0	-49.75	379.30	8.40	-41.35
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300007710468	0	38	-1.0	-54.62	340.69	5.66	-48.96
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300007710469	0	38	-1.0	-52.94	357.41	6.18	-46.76
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)=CO1	REAL300007710470	0	41	-1.0	-53.55	350.25	4.09	-49.46
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007710471	0	35	-1.0	-49.70	311.14	3.54	-46.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300007710472	0	35	-1.0	-55.38	303.62	5.42	-49.96
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300007710473	0	35	-1.0	-49.73	299.93	3.69	-46.04
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300007710474	0	35	-1.0	-50.54	301.04	1.72	-48.82
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300007710475	0	40	-1.0	-51.19	328.03	5.62	-45.57
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300007710476	0	39	-1.0	-52.09	318.66	6.90	-45.19
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=N2)C=C1	REAL300007710477	0	42	-1.0	-51.56	355.86	6.82	-44.74
CC1CC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300007710478	0	40	-1.0	-47.33	348.10	6.11	-41.22
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007710479	0	37	-1.0	-47.28	318.28	6.17	-41.11
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300007710480	0	43	-1.0	-54.58	361.63	5.78	-48.80
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300007710481	0	34	-1.0	-52.07	305.85	4.52	-47.55
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710482	0	40	-1.0	-52.17	324.96	5.42	-46.75
CC1=CC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2C=C1	REAL300007710483	0	41	-1.0	-50.82	341.38	7.94	-42.88
COC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)SC=C1	REAL300007710484	0	33	-1.0	-54.39	294.20	4.05	-50.34
CN(C)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710485	0	40	-1.0	-50.93	325.56	5.38	-45.55
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300007710486	0	37	-1.0	-52.27	306.80	4.87	-47.40
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300007710487	0	37	-1.0	-59.78	320.96	5.08	-54.70
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300007710488	0	37	-1.0	-54.97	309.69	4.87	-50.10
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300007710489	0	38	-1.0	-50.16	336.37	7.02	-43.14
CN1CCCC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C21	REAL300007710490	0	44	-1.0	-49.15	348.52	5.55	-43.60
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300007710491	0	34	-1.0	-47.64	309.36	4.36	-43.28
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710492	0	40	-1.0	-57.41	327.86	5.52	-51.89
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710493	0	40	-1.0	-52.64	326.57	6.66	-45.98
CC1=CC=C(C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300007710494	0	40	-1.0	-49.61	324.79	7.75	-41.86
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007710495	0	40	-1.0	-55.88	324.13	6.57	-49.31
COC1=CC=C(CCS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710496	0	42	-1.0	-52.02	349.14	5.82	-46.20
COC1=CN=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710497	0	35	-1.0	-49.61	298.64	2.46	-47.15
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300007710498	0	41	-1.0	-51.48	346.85	6.68	-44.80
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300007710499	0	39	-1.0	-49.52	323.55	7.10	-42.42
COC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC(OC)=C1	REAL300007710500	0	40	-1.0	-51.95	333.08	3.60	-48.35
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2CCCCC2)C1	REAL300007710501	0	44	-1.0	-49.02	340.16	6.70	-42.32
CC1=CC=C(CCS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710502	0	41	-1.0	-50.44	341.04	7.20	-43.24
CC1=CC2=C(C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)OCO2	REAL300007710503	0	38	-1.0	-51.71	303.84	3.93	-47.78
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300007710504	0	35	-1.0	-56.48	301.66	5.35	-51.13
COC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300007710505	0	36	-1.0	-47.42	319.59	4.84	-42.58
CN1C=NC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300007710506	0	38	-1.0	-60.31	322.16	6.38	-53.93
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007710507	0	40	-1.0	-54.74	323.48	6.57	-48.17
CC1=NC2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2O1	REAL300007710508	0	37	-1.0	-53.45	317.50	2.69	-50.76
CCC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1CC	REAL300007710509	0	44	-1.0	-49.20	351.12	7.55	-41.65
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710510	0	40	-1.0	-47.07	325.46	7.08	-39.99
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710511	0	42	-1.0	-55.01	332.95	6.56	-48.45
CC1=C(C)SC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710512	0	35	-1.0	-51.64	306.82	5.42	-46.22
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710513	0	33	-1.0	-44.15	290.24	2.92	-41.23
CCC1=NC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300007710514	0	34	-1.0	-48.91	304.10	3.58	-45.33
CN(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300007710515	0	39	-1.0	-51.46	323.92	4.86	-46.60
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300007710516	0	35	-1.0	-51.30	306.50	5.53	-45.77
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300007710517	0	38	-1.0	-57.80	309.69	6.48	-51.32
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300007710518	0	35	-1.0	-55.19	299.71	3.67	-51.52
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC(C)=C1F	REAL300007710519	0	38	-1.0	-47.35	321.12	6.33	-41.02
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300007710520	0	39	-1.0	-58.89	330.10	4.75	-54.14
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300007710521	0	45	-1.0	-52.36	375.16	6.57	-45.79
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C23)C1	REAL300007710522	0	36	-1.0	-62.04	303.98	4.79	-57.25
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300007710523	0	34	-1.0	-58.05	303.38	4.55	-53.50
CC1=NC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CS1	REAL300007710524	0	34	-1.0	-53.51	304.22	3.44	-50.07
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300007710525	0	35	-1.0	-49.56	314.59	6.26	-43.30
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300007710526	0	35	-1.0	-47.27	309.52	6.09	-41.18
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300007710527	0	38	-1.0	-61.29	321.99	6.01	-55.28
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=C2)=N1	REAL300007710528	0	41	-1.0	-52.63	360.09	6.50	-46.13
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300007710529	0	40	-1.0	-54.57	322.02	6.24	-48.33
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300007710530	0	39	-1.0	-59.06	338.96	2.90	-56.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300007710531	0	41	-1.0	-50.68	330.01	5.37	-45.31
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300007710532	0	35	-1.0	-51.57	317.50	6.26	-45.31
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710533	0	57	-1.0	-49.82	454.23	9.96	-39.86
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710534	0	45	-1.0	-50.02	363.89	6.70	-43.32
COC(CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CCCC1	REAL300007710535	0	45	-1.0	-51.25	347.79	5.14	-46.11
COC(CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300007710536	0	48	-1.0	-51.26	365.54	6.04	-45.22
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300007710537	0	46	-1.0	-54.23	391.54	8.34	-45.89
CCOC(CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C1CC1	REAL300007710538	0	42	-1.0	-51.62	339.41	5.31	-46.31
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007710539	0	51	-1.0	-49.70	405.55	8.04	-41.66
CCC1=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CN1CC1CC1	REAL300007710540	0	45	-1.0	-57.53	368.21	6.81	-50.72
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300007710541	0	35	-1.0	-49.83	313.61	4.54	-45.29
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300007710542	0	40	-1.0	-47.45	326.38	6.82	-40.63
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710543	0	39	-1.0	-47.41	317.63	4.79	-42.62
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300007710544	0	45	-1.0	-50.07	377.26	7.33	-42.74
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710545	0	35	-1.0	-44.44	312.63	3.52	-40.92
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300007710546	0	43	-1.0	-48.48	374.67	9.09	-39.39
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300007710547	0	42	-1.0	-54.79	334.53	8.17	-46.62
CCC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(C)C=C1OC	REAL300007710548	0	45	-1.0	-50.65	349.04	6.09	-44.56
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300007710549	0	38	-1.0	-48.43	345.09	6.90	-41.53
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1	REAL300007710550	0	34	-1.0	-59.02	297.84	3.82	-55.20
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300007710551	0	41	-1.0	-55.33	323.39	8.03	-47.30
CC(C)OC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300007710552	0	41	-1.0	-49.19	343.04	3.59	-45.60
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710553	0	36	-1.0	-52.76	303.75	5.11	-47.65
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007710554	0	48	-1.0	-48.34	384.02	7.24	-41.10
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1F	REAL300007710555	0	44	-1.0	-46.14	352.28	7.24	-38.90
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300007710556	0	51	-1.0	-50.40	399.70	9.55	-40.85
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710557	0	42	-1.0	-49.72	332.54	5.16	-44.56
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300007710558	0	44	-1.0	-53.92	346.37	5.40	-48.52
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300007710559	0	42	-1.0	-52.74	341.30	5.38	-47.36
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710560	0	35	-1.0	-51.40	300.44	3.66	-47.74
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710561	0	39	-1.0	-54.18	332.19	5.17	-49.01
C=CCCC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710562	0	42	-1.0	-50.56	351.06	7.81	-42.75
CCC1=NN(C)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710563	0	38	-1.0	-52.57	310.82	3.78	-48.79
CCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007710564	0	54	-1.0	-49.70	427.05	8.83	-40.87
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300007710565	0	36	-1.0	-48.12	322.72	6.70	-41.42
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(C)(C)C	REAL300007710566	0	54	-1.0	-48.11	418.07	8.70	-39.41
CCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1CC	REAL300007710567	0	48	-1.0	-48.25	388.61	7.50	-40.75
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710568	0	38	-1.0	-47.20	313.38	6.93	-40.27
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710569	0	38	-1.0	-51.74	333.19	7.01	-44.73
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300007710570	0	36	-1.0	-51.14	320.24	6.61	-44.53
CCCC1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710571	0	41	-1.0	-52.07	329.71	7.68	-44.39
COC1=NC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710572	0	35	-1.0	-54.41	296.21	2.24	-52.17
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710573	0	48	-1.0	-50.90	389.79	7.89	-43.01
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300007710574	0	37	-1.0	-53.85	303.87	5.52	-48.33
CC1=CSC(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710575	0	35	-1.0	-49.45	292.65	5.51	-43.94
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300007710576	0	39	-1.0	-53.44	323.75	4.71	-48.73
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300007710577	0	39	-1.0	-48.77	321.10	4.92	-43.85
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300007710578	0	42	-1.0	-49.70	344.87	5.59	-44.11
CC1(C)COC2=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=NN2C1	REAL300007710579	0	43	-1.0	-53.81	348.90	3.04	-50.77
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300007710580	0	38	-1.0	-50.33	340.93	5.91	-44.42
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300007710581	0	39	-1.0	-53.73	314.85	4.99	-48.74
CCCCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007710582	0	57	-1.0	-49.71	448.55	9.61	-40.10
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300007710583	0	48	-1.0	-51.19	371.18	6.98	-44.21
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710584	0	42	-1.0	-51.50	338.88	6.34	-45.16
CCOCCOC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007710585	0	55	-1.0	-52.21	439.53	7.46	-44.75
CC1CC2=CC=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=C2O1	REAL300007710586	0	40	-1.0	-56.94	329.88	5.63	-51.31
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300007710587	0	40	-1.0	-49.05	342.76	4.67	-44.38
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300007710588	0	38	-1.0	-50.77	325.31	5.53	-45.24
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710589	0	37	-1.0	-59.75	314.56	4.63	-55.12
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300007710590	0	41	-1.0	-48.24	320.01	4.96	-43.28
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C23)C1	REAL300007710591	0	36	-1.0	-49.31	324.48	5.40	-43.91
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300007710592	0	33	-1.0	-46.98	288.77	3.81	-43.17
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300007710593	0	35	-1.0	-49.45	313.17	6.43	-43.02
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710594	0	39	-1.0	-49.56	321.84	4.61	-44.95
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=C1F	REAL300007710595	0	41	-1.0	-49.43	319.55	6.99	-42.44
COC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1OC	REAL300007710596	0	40	-1.0	-54.37	326.59	4.87	-49.50
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=COC3=CC=CC=C32)C1	REAL300007710597	0	35	-1.0	-53.74	301.23	5.23	-48.51
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300007710598	0	45	-1.0	-53.55	355.15	5.62	-47.93
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710599	0	44	-1.0	-50.38	350.93	5.59	-44.79
CCCCN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)=N1	REAL300007710600	0	44	-1.0	-52.57	357.36	5.63	-46.94
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300007710601	0	39	-1.0	-51.18	315.77	4.39	-46.79
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300007710602	0	36	-1.0	-53.39	313.13	4.61	-48.78
CN1N=NC2=C(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)C=CC=C21	REAL300007710603	0	37	-1.0	-68.02	317.96	3.43	-64.59
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1Br	REAL300007710604	0	38	-1.0	-50.30	317.06	6.45	-43.85
CC1(C)CCCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300007710605	0	43	-1.0	-49.00	324.81	5.35	-43.65
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300007710606	0	38	-1.0	-49.23	342.32	6.12	-43.11
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C2CCC2)=N1	REAL300007710607	0	42	-1.0	-53.33	337.75	5.14	-48.19
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710608	0	50	-1.0	-51.36	381.88	8.87	-42.49
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300007710609	0	38	-1.0	-51.82	345.27	6.86	-44.96
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300007710610	0	42	-1.0	-54.39	347.94	5.68	-48.71
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300007710611	0	36	-1.0	-49.97	308.33	6.10	-43.87
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300007710612	0	43	-1.0	-53.65	368.65	7.87	-45.78
COC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007710613	0	41	-1.0	-62.70	339.49	6.19	-56.51
CCCC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710614	0	41	-1.0	-51.46	338.26	7.24	-44.22
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710615	0	39	-1.0	-50.70	317.57	4.51	-46.19
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710616	0	41	-1.0	-49.09	319.36	4.75	-44.34
CC(C)(C)N1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300007710617	0	41	-1.0	-50.46	338.36	4.75	-45.71
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300007710618	0	39	-1.0	-52.18	314.59	3.82	-48.36
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300007710619	0	37	-1.0	-46.13	325.33	4.82	-41.31
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300007710620	0	35	-1.0	-47.93	319.34	6.11	-41.82
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710621	0	43	-1.0	-51.63	358.64	7.02	-44.61
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300007710622	0	43	-1.0	-48.92	342.57	7.98	-40.94
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300007710623	0	38	-1.0	-48.60	336.54	6.04	-42.56
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300007710624	0	38	-1.0	-48.89	316.50	5.43	-43.46
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300007710625	0	39	-1.0	-58.51	326.92	3.38	-55.13
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710626	0	42	-1.0	-49.82	370.09	5.80	-44.02
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300007710627	0	32	-1.0	-53.65	295.66	5.22	-48.43
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300007710628	0	39	-1.0	-49.11	323.55	7.10	-42.01
COC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=CS1	REAL300007710629	0	33	-1.0	-51.94	294.64	3.49	-48.45
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300007710630	0	42	-1.0	-49.04	340.33	5.52	-43.52
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710631	0	41	-1.0	-49.14	334.99	4.88	-44.26
CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710632	0	46	-1.0	-49.21	339.29	5.82	-43.39
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300007710633	0	46	-1.0	-53.39	365.09	3.88	-49.51
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710634	0	38	-1.0	-50.69	327.28	6.52	-44.17
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300007710635	0	36	-1.0	-53.08	313.11	4.61	-48.47
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300007710636	0	47	-1.0	-50.54	369.80	7.65	-42.89
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)S1	REAL300007710637	0	33	-1.0	-47.85	297.85	3.44	-44.41
CC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300007710638	0	43	-1.0	-60.43	336.10	6.98	-53.45
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300007710639	0	40	-1.0	-50.40	329.38	5.13	-45.27
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300007710640	0	35	-1.0	-53.42	306.56	3.73	-49.69
CCOCC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710641	0	42	-1.0	-53.02	350.78	5.72	-47.30
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710642	0	42	-1.0	-50.21	353.48	6.24	-43.97
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300007710643	0	45	-1.0	-49.75	360.25	5.98	-43.77
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300007710644	0	43	-1.0	-51.27	364.29	7.95	-43.32
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2CF)C1	REAL300007710645	0	35	-1.0	-51.42	285.46	5.46	-45.96
CC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC(C)=C1Br	REAL300007710646	0	38	-1.0	-47.50	331.78	6.74	-40.76
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300007710647	0	41	-1.0	-53.71	326.54	7.85	-45.86
CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300007710648	0	42	-1.0	-53.33	346.08	6.17	-47.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300007710649	0	36	-1.0	-51.02	312.21	6.27	-44.75
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300007710650	0	36	-1.0	-48.15	327.29	6.81	-41.34
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300007710651	0	36	-1.0	-50.51	327.09	6.83	-43.68
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300007710652	0	37	-1.0	-55.57	317.69	-1.06	-56.63
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300007710653	0	35	-1.0	-55.76	300.88	5.40	-50.36
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300007710654	0	38	-1.0	-54.33	308.66	5.52	-48.81
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300007710655	0	34	-1.0	-55.08	304.79	4.42	-50.66
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCOC2CCOC2)C1	REAL300007710656	0	40	-1.0	-50.38	329.18	2.20	-48.18
CC1=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007710657	0	41	-1.0	-56.48	350.04	4.00	-52.48
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300007710658	0	49	-1.0	-49.52	351.13	7.89	-41.63
CC1(C)COC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1	REAL300007710659	0	42	-1.0	-50.74	334.82	4.27	-46.47
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300007710660	0	35	-1.0	-56.27	305.10	0.70	-55.57
CC(C)(CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)C(C)(F)F	REAL300007710661	0	40	-1.0	-49.64	313.12	5.48	-44.16
CS(=O)(=O)CCCCS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710662	0	40	-1.0	-60.99	344.86	1.83	-59.16
CC1(C)CCC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)OC1	REAL300007710663	0	45	-1.0	-49.48	348.86	5.15	-44.33
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)C1	REAL300007710664	0	42	-1.0	-49.01	344.65	7.32	-41.69
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300007710665	0	36	-1.0	-59.91	321.83	4.07	-55.84
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300007710666	0	42	-1.0	-53.28	356.07	7.89	-45.39
O=C([O-])[C@@H]1CCCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300007710667	0	41	-1.0	-54.96	326.35	2.50	-52.46
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300007710668	0	45	-1.0	-51.24	341.50	7.03	-44.21
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300007710669	0	36	-1.0	-47.79	317.91	6.32	-41.47
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300007710670	0	54	-1.0	-49.19	403.71	9.17	-40.02
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710671	0	43	-1.0	-51.48	351.52	6.14	-45.34
COC1=CSC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1OC	REAL300007710672	0	37	-1.0	-48.44	325.13	3.68	-44.76
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300007710673	0	44	-1.0	-48.75	334.16	5.48	-43.27
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710674	0	43	-1.0	-50.30	354.60	6.88	-43.42
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300007710675	0	36	-1.0	-51.32	317.94	5.74	-45.58
COC1=CC(F)=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300007710676	0	36	-1.0	-51.91	311.84	4.61	-47.30
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300007710677	0	36	-1.0	-48.21	319.54	4.63	-43.58
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710678	0	38	-1.0	-52.28	317.25	5.02	-47.26
CN1C=CC2=CC(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)=CC=C21	REAL300007710679	0	39	-1.0	-55.55	327.60	6.80	-48.75
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300007710680	0	41	-1.0	-50.93	352.75	5.51	-45.42
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710681	0	45	-1.0	-51.91	363.92	7.37	-44.54
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300007710682	0	43	-1.0	-49.01	364.47	7.91	-41.10
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710683	0	38	-1.0	-59.51	314.33	6.92	-52.59
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300007710684	0	33	-1.0	-55.14	314.41	3.84	-51.30
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710685	0	43	-1.0	-51.03	357.53	6.66	-44.37
CCN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300007710686	0	42	-1.0	-50.91	337.31	5.25	-45.66
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300007710687	0	36	-1.0	-60.38	303.38	4.00	-56.38
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300007710688	0	38	-1.0	-48.33	336.70	7.77	-40.56
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300007710689	0	42	-1.0	-50.61	364.81	8.96	-41.65
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300007710690	0	31	-1.0	-53.47	301.51	2.97	-50.50
CCC1=CC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300007710691	0	38	-1.0	-46.92	333.09	6.86	-40.06
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710692	0	45	-1.0	-47.67	359.48	6.14	-41.53
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300007710693	0	29	-1.0	-47.90	282.71	4.54	-43.36
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710694	0	46	-1.0	-53.77	374.95	5.35	-48.42
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300007710695	0	38	-1.0	-54.14	326.31	7.55	-46.59
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710696	0	40	-1.0	-50.95	323.22	2.68	-48.27
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300007710697	0	39	-1.0	-51.74	311.74	7.07	-44.67
CC1(C)CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300007710698	0	43	-1.0	-49.25	326.77	5.08	-44.17
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300007710699	0	47	-1.0	-50.75	375.75	5.41	-45.34
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710700	0	35	-1.0	-47.98	311.29	2.74	-45.24
COC1=NC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1C	REAL300007710701	0	38	-1.0	-50.57	321.16	2.45	-48.12
CC(C)CN1C=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=N1	REAL300007710702	0	41	-1.0	-54.12	341.28	5.13	-48.99
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710703	0	41	-1.0	-52.09	333.06	4.60	-47.49
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300007710704	0	42	-1.0	-50.65	337.89	2.87	-47.78
COCC1=CC(CS(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=NO1	REAL300007710705	0	38	-1.0	-59.02	328.20	2.91	-56.11
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300007710706	0	37	-1.0	-50.40	323.68	6.91	-43.49
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)N=C1	REAL300007710707	0	43	-1.0	-54.28	346.46	5.40	-48.88
CC(C)N1N=CC=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710708	0	38	-1.0	-49.29	315.10	4.27	-45.02
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NN2CC2CC2)C1	REAL300007710709	0	39	-1.0	-49.18	327.53	5.11	-44.07
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300007710710	0	39	-1.0	-53.53	330.15	6.08	-47.45
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300007710711	0	34	-1.0	-52.98	304.14	4.02	-48.96
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CCC3=CC=CN=C32)C1	REAL300007710712	0	37	-1.0	-53.31	308.70	5.39	-47.92
CC1=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=NN1C(C)C	REAL300007710713	0	41	-1.0	-49.23	332.15	4.66	-44.57
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C=C1	REAL300007710714	0	46	-1.0	-51.19	382.05	8.52	-42.67
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300007710715	0	37	-1.0	-55.97	311.16	5.44	-50.53
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CC=C(Br)CC2)C1	REAL300007710716	0	35	-1.0	-47.54	305.67	4.70	-42.84
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710717	0	40	-1.0	-56.92	330.25	0.76	-56.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)N2CC3CCC(C2)O3)C1	REAL300007710718	0	39	-1.0	-49.56	305.04	3.13	-46.43
N#CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1	REAL300007710719	0	38	-1.0	-53.73	312.15	4.50	-49.23
COC1=CC=NC(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710720	0	35	-1.0	-53.95	300.21	2.40	-51.55
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C(F)F)=C1	REAL300007710721	0	39	-1.0	-56.63	326.85	5.71	-50.92
COC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)N=C1	REAL300007710722	0	35	-1.0	-53.72	299.48	2.37	-51.35
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710723	0	38	-1.0	-48.24	333.41	3.20	-45.04
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300007710724	0	37	-1.0	-50.94	304.61	5.39	-45.55
CCOC1=CC=CN=C1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	REAL300007710725	0	38	-1.0	-55.56	319.88	4.13	-51.43
CC1=CC=C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300007710726	0	40	-1.0	-55.42	325.87	6.61	-48.81
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CNC3=CC=CC=C32)C1	REAL300007710727	0	36	-1.0	-51.23	303.21	4.79	-46.44
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300007710728	0	34	-1.0	-53.50	302.97	3.96	-49.54
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C32)C1	REAL300007710729	0	39	-1.0	-49.47	341.81	5.79	-43.68
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300007710730	0	45	-1.0	-54.89	359.58	7.06	-47.83
CCC(NS(=O)(=O)C1=CC=CC=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710731	0	38	-1.0	-55.40	318.44	6.94	-48.46
CCC(NS(=O)(=O)C1=CC=CC(F)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710732	0	38	-1.0	-37.31	326.09	6.83	-30.48
CCC(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710733	0	43	-1.0	-44.16	362.42	7.24	-36.92
CCC(NS(=O)(=O)C1=CC=CS1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710734	0	35	-1.0	-54.68	309.59	5.88	-48.80
CCC(NS(=O)(=O)C1=CC=C(C)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710735	0	38	-1.0	-39.69	335.00	6.69	-33.00
CCC(NS(=O)(=O)C1=CC=C(Cl)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710736	0	35	-1.0	-36.53	327.37	6.42	-30.11
CCC(NS(=O)(=O)C1=CC(C)=CC=C1OC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710737	0	45	-1.0	-43.38	371.76	7.43	-35.95
CCC(NS(=O)(=O)C1=CN(C)N=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710738	0	38	-1.0	-40.23	322.90	4.31	-35.92
CCC(NS(=O)(=O)C1=C(C)N(C)N=C1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710739	0	44	-1.0	-50.28	354.82	5.64	-44.64
CCC1=CC=C(S(=O)(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300007710740	0	44	-1.0	-54.57	361.10	8.31	-46.26
CCC(NS(=O)(=O)C1=CC(C)=CC(F)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710741	0	41	-1.0	-40.58	348.34	7.52	-33.06
CCC(NS(=O)(=O)CCC1CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710742	0	41	-1.0	-55.21	336.29	7.09	-48.12
CCC(NS(=O)(=O)C1=CC=C(COC)C=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710743	0	45	-1.0	-55.22	373.28	6.59	-48.63
CCOC1=CC=C(S(=O)(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300007710744	0	44	-1.0	-40.58	365.91	4.21	-36.37
CCC(NS(=O)(=O)CCCS(C)(=O)=O)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710745	0	43	-1.0	-69.59	368.37	3.07	-66.52
CCC(NS(=O)(=O)CC1=NOC=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710746	0	37	-1.0	-61.48	318.07	5.04	-56.44
CCC(NS(=O)(=O)C1=C(C)N(C)N=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710747	0	41	-1.0	-57.02	337.15	4.81	-52.21
CCN1N=C(C)C(S(=O)(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1C	REAL300007710748	0	47	-1.0	-50.54	376.40	6.45	-44.09
CCC(NS(=O)(=O)C1=CN(C(C)C)N=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710749	0	44	-1.0	-43.88	366.57	5.82	-38.06
CCC(NS(=O)(=O)C1=CN(CC(C)C)C=N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710750	0	47	-1.0	-62.86	384.72	8.62	-54.24
CCC(NS(=O)(=O)C1=CN(C(C)C)C=N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710751	0	44	-1.0	-62.37	365.61	7.75	-54.62
CCC(NS(=O)(=O)C1=CNC(C(C)C)=N1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710752	0	44	-1.0	-62.70	363.42	5.78	-56.92
CCC(NS(=O)(=O)C1=CC=CC(F)=C1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710753	0	41	-1.0	-51.62	337.37	7.56	-44.06
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CCC(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710854	0	46	-1.0	-55.59	370.52	7.32	-48.27
CCC(NS(=O)(=O)CC1CCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710855	0	41	-1.0	-56.20	331.41	6.83	-49.37
CCC(NS(=O)(=O)C1=CC=CC2=C1OCC2)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710856	0	43	-1.0	-44.27	357.78	7.07	-37.20
CCC(NS(=O)(=O)C1=CC=C2CCOC2=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710857	0	43	-1.0	-41.67	356.29	6.63	-35.04
CCC(NS(=O)(=O)C1=CN=CC(OC)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710858	0	41	-1.0	-52.34	342.57	4.25	-48.09
CCC(NS(=O)(=O)C1=CC=C(C2CC2)C=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710859	0	45	-1.0	-54.40	367.67	9.05	-45.35
CCC(NS(=O)(=O)CCC1CCCCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710860	0	50	-1.0	-38.90	386.47	8.53	-30.37
CCC(NS(=O)(=O)C1=C2OC=CC2=CC=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710861	0	41	-1.0	-44.09	350.07	7.18	-36.91
CCC(NS(=O)(=O)CCC1CCCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710862	0	47	-1.0	-38.72	370.89	7.98	-30.74
CCC(NS(=O)(=O)C1(C)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710863	0	38	-1.0	-40.86	314.24	6.21	-34.65
CCC(NS(=O)(=O)C1=CC(C)=C(C)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710864	0	41	-1.0	-40.66	354.18	7.29	-33.37
CCC(NS(=O)(=O)C1=CN=C(C)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710865	0	37	-1.0	-51.78	326.23	4.65	-47.13
CCC1=NC=C(S(=O)(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300007710866	0	40	-1.0	-51.42	347.71	5.41	-46.01
CCC(NS(=O)(=O)C1=C(C)ON=C1N)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710867	1	39	-1.0	-45.73	323.99	3.72	-42.01
CCC(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710868	0	45	-1.0	-44.27	366.20	6.30	-37.97
CCC(NS(=O)(=O)C1=C(C)C=C(C)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710869	0	41	-1.0	-55.67	352.16	7.53	-48.14
CCC(NS(=O)(=O)C1=CC=CC2=C1OCO2)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710870	0	41	-1.0	-40.48	346.79	5.63	-34.85
CCC(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710871	0	44	-1.0	-51.01	365.64	8.27	-42.74
CCC(NS(=O)(=O)C1=CC=C(C)N=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710872	0	40	-1.0	-41.96	333.48	5.41	-36.55
CCC(NS(=O)(=O)CC(OC)C1CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710873	0	45	-1.0	-56.28	362.44	6.75	-49.53
CCC(NS(=O)(=O)C1(CC)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710874	0	41	-1.0	-42.52	327.78	7.21	-35.31
CCOC(CS(=O)(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CC1	REAL300007710875	0	48	-1.0	-40.59	384.54	7.15	-33.44
CCC(NS(=O)(=O)C1=C(C2CC2)C=NN1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710876	0	45	-1.0	-39.60	362.89	6.55	-33.05
CCC1=NN(C)C=C1S(=O)(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710877	0	44	-1.0	-52.93	358.92	5.74	-47.19
CCC(NS(=O)(=O)CCCC1CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710878	0	44	-1.0	-55.43	358.91	7.98	-47.45
CCCC1=CC=CC=C1S(=O)(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710879	0	47	-1.0	-56.17	370.42	9.32	-46.85
CCC(NS(=O)(=O)C1=CC=CN=C1OC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710880	0	41	-1.0	-56.14	344.81	4.04	-52.10
CCC(NS(=O)(=O)C1=CN=C(C)N1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710881	0	41	-1.0	-47.24	345.33	5.67	-41.57
CCC(NS(=O)(=O)C1=C(C)SC=C1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710882	0	41	-1.0	-50.72	338.31	7.34	-43.38
CCC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710883	0	45	-1.0	-54.33	367.99	6.42	-47.91
CCC(NS(=O)(=O)C1=CC=NN1C1CCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710884	0	45	-1.0	-50.26	366.21	6.88	-43.38
CCC(NS(=O)(=O)C1=CN=C2CCCCN12)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710885	0	45	-1.0	-54.68	360.39	7.20	-47.48
CCN1N=NC=C1S(=O)(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710886	0	40	-1.0	-43.51	337.07	4.02	-39.49
CCC(NS(=O)(=O)C1=CC2=NON=C2C=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710887	0	39	-1.0	-49.56	333.02	5.67	-43.89
CCC(NS(=O)(=O)C1=CC(C2CC2)=NN1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710888	0	45	-1.0	-49.93	371.15	6.81	-43.12
CCC(NS(=O)(=O)C1=COC2=CC=CC=C21)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710889	0	41	-1.0	-52.96	348.76	7.19	-45.77
CCC(NS(=O)(=O)C1=CN(C)N=C1C1CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710890	0	45	-1.0	-53.21	374.38	6.45	-46.76
CCC(NS(=O)(=O)C1=C(C2CC2)C=CS1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710891	0	42	-1.0	-56.60	354.17	8.08	-48.52
CCCC1=CC=CC(S(=O)(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300007710892	0	47	-1.0	-54.54	382.46	9.12	-45.42
CCC(NS(=O)(=O)C1=C2CCCC2=NN1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710893	0	45	-1.0	-51.83	363.88	6.52	-45.31
CCC(NS(=O)(=O)C1=C(C)C=CC=C1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710894	0	44	-1.0	-39.37	348.50	8.34	-31.03
CCC(NS(=O)(=O)C1=CC=NN1C(C)(C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710895	0	47	-1.0	-44.79	373.22	6.18	-38.61
CCC(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710896	0	47	-1.0	-41.74	382.86	6.31	-35.43
CCC(NS(=O)(=O)C1=CNN=C1C1CCC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710897	0	45	-1.0	-51.91	365.00	5.71	-46.20
CCC(NS(=O)(=O)C1=CC(C)=NN1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710898	0	41	-1.0	-45.11	349.69	4.87	-40.24
CCC(NS(=O)(=O)C1=CC=CC(C)=C1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710899	0	44	-1.0	-56.04	349.17	8.07	-47.97
CCC(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710900	0	45	-1.0	-54.15	367.31	9.01	-45.14
CCC(NS(=O)(=O)C1=C(OC)SC=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710901	0	39	-1.0	-57.24	340.54	5.50	-51.74
CCC(C)N1N=CC=C1S(=O)(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710902	0	47	-1.0	-44.87	387.17	6.58	-38.29
CCC1=CC=C(S(=O)(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)O1	REAL300007710903	0	41	-1.0	-55.40	345.96	6.79	-48.61
CCC(NS(=O)(=O)C1=CC=C(OC)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710904	0	39	-1.0	-39.18	344.94	5.35	-33.83
CCC(NS(=O)(=O)C1=CN(CCF)N=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710905	0	41	-1.0	-37.39	354.54	5.45	-31.94
CCC(NS(=O)(=O)C1=CC=CC=C1CF)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710906	0	41	-1.0	-40.57	341.27	7.63	-32.94
CCC(NS(=O)(=O)C1=CN=CC(C)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710907	0	40	-1.0	-53.70	334.45	5.63	-48.07
CCC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710908	0	42	-1.0	-40.91	361.59	8.22	-32.69
CCOCCCS(=O)(=O)NC(CC)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710909	0	44	-1.0	-56.60	360.26	5.56	-51.04
CCC(NS(=O)(=O)C1=CN=C2C=CC=CN21)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710910	0	41	-1.0	-57.43	347.07	7.22	-50.21
CCC(NS(=O)(=O)C1CCC(F)(F)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710911	0	44	-1.0	-42.17	362.75	7.71	-34.46
CCC(NS(=O)(=O)CCOC1CCOC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710912	0	46	-1.0	-43.98	375.26	4.05	-39.93
CCC(NS(=O)(=O)CC1COCCO1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710913	0	43	-1.0	-39.67	348.56	4.32	-35.35
CCC(NS(=O)(=O)CC1CC(C)(C)CO1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710914	0	48	-1.0	-59.23	379.54	6.83	-52.40
CCC(NS(=O)(=O)CC1CS(=O)(=O)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710915	0	41	-1.0	-41.89	350.81	2.54	-39.35
CCC(NS(=O)(=O)CC(C)(C)C(C)(F)F)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710916	0	46	-1.0	-53.56	358.54	7.48	-46.08
CCC(NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710917	0	48	-1.0	-38.69	391.07	9.14	-29.55
CCC(NS(=O)(=O)C1(CCOC)CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710918	0	45	-1.0	-45.85	365.90	6.58	-39.27
CCN1N=CC(S(=O)(=O)NC(CC)(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300007710919	0	40	-1.0	-54.37	341.02	3.99	-50.38
CCC(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710920	0	51	-1.0	-39.20	388.00	8.86	-30.34
CCC(NS(=O)(=O)C1=CC=C(C2CC2)S1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710921	0	42	-1.0	-54.92	361.27	8.19	-46.73
CCC(NS(=O)(=O)C1=CC(C)=CO1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710922	0	38	-1.0	-41.96	327.01	6.02	-35.94
CCC(NS(=O)(=O)C1=C(Cl)OC=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710923	0	35	-1.0	-38.98	323.61	5.36	-33.62
CCC(NS(=O)(=O)C1=CC(Cl)=CS1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710924	0	35	-1.0	-50.04	326.43	6.38	-43.66
CCC(NS(=O)(=O)C1=CC=CC=C1C1CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710925	0	45	-1.0	-57.21	360.00	8.93	-48.28
CCC(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710926	0	44	-1.0	-50.75	366.01	4.33	-46.42
CCC(NS(=O)(=O)C1=CN(CC(C)C)N=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710927	0	47	-1.0	-40.28	384.81	6.90	-33.38
CCC(NS(=O)(=O)C1=CN(C(C)C)N=C1C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710928	0	47	-1.0	-52.18	379.93	6.30	-45.88
CCC(NS(=O)(=O)C1=CC=NN1C(C)C)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710929	0	44	-1.0	-44.85	369.03	5.92	-38.93
CCC(NS(=O)(=O)C1=CC=NN1CC1CC1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710930	0	45	-1.0	-52.91	373.83	7.03	-45.88
CCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710931	0	47	-1.0	-56.83	379.64	6.38	-50.45
CCC(NS(=O)(=O)C1=CNC2=CC=CC=C21)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710932	0	42	-1.0	-43.82	359.23	6.78	-37.04
CCC(NS(=O)(=O)C1=CN=CS1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300007710933	0	34	-1.0	-51.65	304.37	3.99	-47.66
CCC(C)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007710934	0	41	-1.0	-59.36	333.97	7.58	-51.78
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007710935	0	32	-1.0	-49.01	285.90	5.30	-43.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007710936	0	33	-1.0	-47.67	297.76	4.59	-43.08
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007710937	0	35	-1.0	-64.41	316.04	2.51	-61.90
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007710938	0	33	-1.0	-49.99	298.59	3.95	-46.04
COC1=CC(C)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300007710939	0	40	-1.0	-53.05	321.46	3.90	-49.15
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007710940	0	32	-1.0	-56.41	280.09	5.88	-50.53
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007710941	0	45	-1.0	-59.13	357.16	8.80	-50.33
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007710942	0	35	-1.0	-60.14	301.92	3.84	-56.30
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007710943	0	29	-1.0	-48.19	264.28	4.58	-43.61
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CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007710945	0	34	-1.0	-77.12	281.21	6.69	-70.43
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007710946	0	35	-1.0	-45.60	315.00	6.24	-39.36
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007710947	0	39	-1.0	-51.56	336.29	0.79	-50.77
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007710948	0	40	-1.0	-57.70	337.74	6.83	-50.87
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007710949	0	35	-1.0	-60.17	301.93	5.41	-54.76
CCOC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300007710950	0	35	-1.0	-46.16	301.72	1.77	-44.39
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007710951	0	38	-1.0	-73.19	340.36	3.20	-69.99
COC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C(C)=C1C	REAL300007710952	0	39	-1.0	-59.87	309.36	5.29	-54.58
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007710953	0	34	-1.0	-64.24	311.99	5.21	-59.03
O=C([O-])[C@H]1CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007710954	0	32	-1.0	-62.31	302.03	6.18	-56.13
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007710955	0	34	-1.0	-62.95	298.41	5.08	-57.87
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300007710956	0	46	-1.0	-64.88	393.31	4.17	-60.71
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])CC1	REAL300007710957	0	39	-1.0	-64.38	329.91	0.51	-63.87
CC1=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007710958	0	38	-1.0	-57.50	324.60	5.51	-51.99
CCN1N=C(C)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1C	REAL300007710959	0	38	-1.0	-52.91	304.13	3.78	-49.13
CC(C)CN1C=NC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007710960	0	38	-1.0	-50.65	317.64	5.02	-45.63
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007710961	0	41	-1.0	-64.16	312.13	7.27	-56.89
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007710962	0	42	-1.0	-56.50	353.58	6.82	-49.68
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007710963	0	37	-1.0	-75.25	323.55	4.09	-71.16
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007710964	0	35	-1.0	-58.19	323.24	6.03	-52.16
COC1=CC(Cl)=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1OC	REAL300007710965	0	37	-1.0	-60.15	323.16	4.00	-56.15
COC1=CC(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C(OC)C=C1Br	REAL300007710966	0	37	-1.0	-60.30	331.06	4.46	-55.84
CC1=CC=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Br	REAL300007710967	0	32	-1.0	-57.59	296.93	5.88	-51.71
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007710968	0	35	-1.0	-50.94	304.76	6.65	-44.29
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007710969	0	34	-1.0	-59.00	312.36	7.06	-51.94
COCCOC1=C(Cl)C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300007710970	0	40	-1.0	-48.25	373.39	4.88	-43.37
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007710971	0	33	-1.0	-59.74	302.90	4.33	-55.41
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007710972	0	36	-1.0	-61.52	318.10	6.22	-55.30
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007710973	0	44	-1.0	-52.52	343.97	5.33	-47.19
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007710974	0	32	-1.0	-58.29	289.50	5.92	-52.37
COCC1=CC=C(OC)C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])=C1	REAL300007710975	0	40	-1.0	-66.99	336.31	4.21	-62.78
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007710978	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-]	REAL300007710979	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-]	REAL300007710980	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	REAL300007710981	0	40	-1.0	-62.71	348.79	1.77	-60.94
O=C([O-])[C@H]1CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007710982	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	REAL300007710983	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-]	REAL300007710984	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	REAL300007710985	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-]	REAL300007710986	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-]	REAL300007710987	0	43	-1.0	-65.89	361.41	5.97	-59.92
COCCOCCOCCS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007710988	0	43	-1.0	-53.75	361.49	1.55	-52.20
CC(COC1CCCC1)CS(=O)(=O)N1CCC[C@@H]1C(=O)[O-]	REAL300007710989	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	REAL300007710990	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	REAL300007710991	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	REAL300007710992	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	REAL300007710993	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	REAL300007710994	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-]	REAL300007710995	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-]	REAL300007710996	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-]	REAL300007710997	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	REAL300007710998	0	35	-1.0	-56.05	311.88	6.19	-49.86
O=C([O-])[C@H]1CCCN1S(=O)(=O)CCCN1CCOCC1	REAL300007710999	0	41	-1.0	-63.70	329.53	1.67	-62.03
COCCN1C=C(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300007711000	0	36	-1.0	-45.80	312.85	1.70	-44.10
CC1=C(Br)C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007711488	0	33	-1.0	-39.54	313.68	5.61	-33.93
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711489	0	39	-1.0	-48.40	333.63	4.07	-44.33
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C	REAL300007711490	0	39	-1.0	-52.78	339.44	0.91	-51.87
CC(C(=O)[O-])N(C)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007711491	0	46	-1.0	-49.24	335.15	5.49	-43.75
CC1=NC2=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=CC=C2C=C1	REAL300007711492	0	36	-1.0	-53.21	300.39	5.38	-47.83
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007711493	0	36	-1.0	-59.92	313.47	5.76	-54.16
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300007711494	0	46	-1.0	-44.91	380.19	6.40	-38.51
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007711495	0	39	-1.0	-50.82	325.77	2.44	-48.38
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711496	0	42	-1.0	-45.43	362.27	4.96	-40.47
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711497	0	42	-1.0	-44.04	358.09	5.06	-38.98
COCCOCCOCCS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711498	0	42	-1.0	-55.92	357.03	1.19	-54.73
CC(COC1CCCC1)CS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711499	0	44	-1.0	-53.95	348.88	5.19	-48.76
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007711500	0	43	-1.0	-43.49	360.33	5.14	-38.35
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711501	0	35	-1.0	-43.32	317.15	4.10	-39.22
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(OC)=C1	REAL300007711502	0	46	-1.0	-47.87	390.40	2.00	-45.87
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007711503	0	36	-1.0	-43.66	305.72	1.64	-42.02
COC1=CC(Br)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711504	0	32	-1.0	-43.19	299.73	3.72	-39.47
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007711505	0	32	-1.0	-40.50	286.41	4.03	-36.47
COC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007711506	0	34	-1.0	-47.33	303.63	4.57	-42.76
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711507	0	34	-1.0	-40.35	293.83	5.35	-35.00
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711508	0	34	-1.0	-39.39	293.42	5.24	-34.15
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007711509	0	34	-1.0	-41.09	302.12	5.40	-35.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007711510	0	35	-1.0	-49.11	311.90	4.39	-44.72
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1C	REAL300007711511	0	55	-1.0	-50.09	435.44	8.45	-41.64
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1F	REAL300007711512	0	42	-1.0	-51.16	359.18	1.75	-49.41
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007711513	0	36	-1.0	-43.96	321.12	6.06	-37.90
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007711514	0	31	-1.0	-54.93	293.60	5.20	-49.73
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1Br	REAL300007711515	0	31	-1.0	-45.29	289.51	5.09	-40.20
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007711516	0	35	-1.0	-56.14	312.31	1.76	-54.38
CC1=CC(Br)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711517	0	31	-1.0	-41.79	291.63	5.08	-36.71
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711518	0	31	-1.0	-41.75	273.40	4.89	-36.86
COC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1Br	REAL300007711519	0	32	-1.0	-47.38	298.54	3.87	-43.51
COC1=CC(OC)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300007711520	0	36	-1.0	-43.25	315.63	3.56	-39.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007711521	0	31	-1.0	-47.18	291.64	2.96	-44.22
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007711522	0	39	-1.0	-45.42	326.40	5.04	-40.38
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007711523	0	31	-1.0	-51.22	285.55	2.97	-48.25
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711524	0	39	-1.0	-48.44	320.82	2.66	-45.78
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1I	REAL300007711525	0	31	-1.0	-49.36	293.46	5.46	-43.90
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711526	0	40	-1.0	-51.39	353.10	3.08	-48.31
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711527	0	45	-1.0	-54.11	385.37	3.61	-50.50
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711528	0	45	-1.0	-50.35	391.82	2.31	-48.04
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007711529	0	36	-1.0	-53.01	327.58	0.67	-52.34
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S1	REAL300007711530	0	42	-1.0	-50.50	382.86	1.47	-49.03
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(OC)=C1	REAL300007711531	0	43	-1.0	-48.09	368.90	1.21	-46.88
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(F)=C1	REAL300007711532	0	42	-1.0	-57.86	368.57	2.04	-55.82
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711533	0	42	-1.0	-48.25	368.07	1.59	-46.66
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007711534	0	39	-1.0	-57.00	328.50	3.84	-53.16
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1F	REAL300007711535	0	42	-1.0	-51.40	370.03	2.28	-49.12
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007711536	0	43	-1.0	-57.43	346.85	5.03	-52.40
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1F	REAL300007711537	0	39	-1.0	-51.63	348.53	1.49	-50.14
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007711538	0	43	-1.0	-52.36	362.37	4.34	-48.02
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007711539	0	40	-1.0	-60.65	331.29	3.62	-57.03
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711540	0	37	-1.0	-51.81	331.60	2.29	-49.52
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711541	0	38	-1.0	-50.06	330.96	1.21	-48.85
CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300007711542	0	35	-1.0	-48.70	320.39	4.79	-43.91
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007711543	0	42	-1.0	-51.98	356.29	6.88	-45.10
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007711544	0	32	-1.0	-40.74	296.87	4.53	-36.21
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007711545	0	34	-1.0	-43.49	329.90	1.99	-41.50
COC1=CC=C(Br)C(CS(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711546	0	35	-1.0	-55.35	318.49	4.45	-50.90
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007711547	0	42	-1.0	-45.96	360.68	5.84	-40.12
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711548	0	35	-1.0	-43.26	311.99	4.96	-38.30
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C21	REAL300007711549	0	40	-1.0	-51.91	339.09	5.35	-46.56
CCS(=O)(=O)NCCS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711550	0	35	-1.0	-61.26	312.40	-1.40	-62.66
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007711551	0	34	-1.0	-48.88	300.83	5.12	-43.76
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007711552	0	31	-1.0	-43.85	303.32	5.83	-38.02
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007711553	0	34	-1.0	-43.25	312.07	6.70	-36.55
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007711554	0	31	-1.0	-44.10	296.44	5.60	-38.50
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007711555	0	34	-1.0	-47.98	299.15	6.38	-41.60
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007711556	0	34	-1.0	-44.17	309.92	5.58	-38.59
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007711557	0	39	-1.0	-44.70	330.63	5.22	-39.48
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007711558	0	42	-1.0	-43.09	354.75	7.17	-35.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007711559	0	41	-1.0	-50.10	356.86	5.44	-44.66
CC(C(=O)[O-])N(C)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007711560	0	39	-1.0	-60.34	348.56	0.93	-59.41
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007711561	0	37	-1.0	-47.60	314.52	6.68	-40.92
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1N(C)C	REAL300007711562	0	39	-1.0	-49.81	323.23	4.55	-45.26
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007711563	0	34	-1.0	-53.76	309.99	5.81	-47.95
COC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300007711564	0	35	-1.0	-43.09	300.38	4.21	-38.88
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007711565	0	37	-1.0	-66.46	333.00	2.10	-64.36
CSC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300007711566	0	32	-1.0	-48.55	303.83	5.37	-43.18
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711567	0	40	-1.0	-50.82	318.19	4.13	-46.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007711568	0	36	-1.0	-46.55	318.84	2.46	-44.09
CCC1=NOC2=NC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C12	REAL300007711569	0	35	-1.0	-48.57	309.34	1.54	-47.03
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007711570	0	39	-1.0	-47.22	345.12	3.72	-43.50
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007711571	0	34	-1.0	-44.05	314.74	6.73	-37.32
CCC1=CC(CC)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(CC)=C1	REAL300007711572	0	46	-1.0	-50.75	340.41	8.01	-42.74
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711573	1	43	-1.0	-42.09	350.83	0.95	-41.14
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007711574	0	34	-1.0	-41.39	316.15	1.92	-39.47
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007711575	0	37	-1.0	-52.51	309.16	7.52	-44.99
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1F	REAL300007711576	0	35	-1.0	-46.36	288.86	3.58	-42.78
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007711577	0	37	-1.0	-51.80	309.36	5.24	-46.56
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007711579	0	36	-1.0	-48.89	317.95	5.14	-43.75
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711580	0	35	-1.0	-42.23	320.74	4.03	-38.20
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007711582	0	28	-1.0	-41.17	280.25	4.08	-37.09
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007711583	0	41	-1.0	-54.62	336.82	7.12	-47.50
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007711584	0	39	-1.0	-43.65	331.36	4.62	-39.03
CC(C(=O)[O-])N(C)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007711585	0	37	-1.0	-47.66	310.11	0.98	-46.68
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007711586	0	31	-1.0	-46.05	285.62	4.33	-41.72
COC1=CC=C2C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])CCC2=C1	REAL300007711587	0	40	-1.0	-52.14	331.63	5.49	-46.65
CC(C(=O)[O-])N(C)S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007711588	0	39	-1.0	-62.66	321.65	0.94	-61.72
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C12	REAL300007711589	0	43	-1.0	-52.10	372.00	7.17	-44.93
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C12	REAL300007711590	0	47	-1.0	-48.99	389.62	4.61	-44.38
CCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007711591	0	36	-1.0	-49.80	310.56	5.66	-44.14
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007711592	0	28	-1.0	-41.36	268.83	4.47	-36.89
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711593	0	33	-1.0	-39.15	282.57	4.89	-34.26
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711594	0	35	-1.0	-41.71	310.17	5.12	-36.59
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711595	0	43	-1.0	-43.16	330.61	6.57	-36.59
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007711596	0	31	-1.0	-49.51	287.12	4.75	-44.76
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007711597	0	31	-1.0	-42.76	270.05	5.10	-37.66
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007711598	0	34	-1.0	-53.99	303.62	4.57	-49.42
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300007711599	0	44	-1.0	-53.42	376.73	1.38	-52.04
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711600	0	45	-1.0	-48.48	386.19	3.58	-44.90
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007711601	0	39	-1.0	-48.62	345.04	1.87	-46.75
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300007711602	0	32	-1.0	-49.07	298.53	3.87	-45.20
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007711603	0	34	-1.0	-39.42	325.48	5.91	-33.51
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1Br	REAL300007711604	0	31	-1.0	-41.78	287.19	5.08	-36.70
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2)=C1	REAL300007711605	0	42	-1.0	-44.79	359.04	7.32	-37.47
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007711606	0	32	-1.0	-40.88	293.54	3.58	-37.30
CC1=C(C)C(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1C	REAL300007711607	0	43	-1.0	-51.74	318.37	6.80	-44.94
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007711608	0	37	-1.0	-50.41	311.42	3.84	-46.57
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711609	0	44	-1.0	-45.89	346.64	6.06	-39.83
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300007711610	0	35	-1.0	-51.66	323.94	6.24	-45.42
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007711611	0	33	-1.0	-49.95	292.33	5.02	-44.93
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711612	0	32	-1.0	-42.60	291.55	4.32	-38.28
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711613	0	46	-1.0	-50.50	344.95	7.49	-43.01
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007711614	0	31	-1.0	-40.73	288.19	4.87	-35.86
COC1=CC=C(OC)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711615	0	36	-1.0	-46.23	299.85	3.03	-43.20
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1OC	REAL300007711616	0	36	-1.0	-50.39	306.84	3.03	-47.36
CC(C)CCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711617	0	43	-1.0	-43.82	352.39	7.30	-36.52
CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1OCC	REAL300007711618	0	42	-1.0	-50.45	350.55	4.87	-45.58
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007711619	0	33	-1.0	-49.30	303.62	-1.17	-50.47
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007711620	0	36	-1.0	-49.93	311.98	5.62	-44.31
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1C	REAL300007711621	0	36	-1.0	-39.17	297.41	5.38	-33.79
CC1=CC2=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C2N=C1	REAL300007711622	0	36	-1.0	-54.10	303.32	5.54	-48.56
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007711623	0	34	-1.0	-44.89	290.74	4.70	-40.19
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711624	0	32	-1.0	-42.75	286.99	4.21	-38.54
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007711625	0	33	-1.0	-49.21	303.11	-1.24	-50.45
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007711626	0	40	-1.0	-55.15	357.40	1.59	-53.56
CC(C(=O)[O-])N(C)S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007711627	0	36	-1.0	-53.62	315.27	5.35	-48.27
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CN=C12	REAL300007711628	0	36	-1.0	-47.74	297.78	4.85	-42.89
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C	REAL300007711629	0	36	-1.0	-47.96	301.08	6.62	-41.34
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007711630	0	39	-1.0	-55.81	344.94	1.86	-53.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007711631	0	40	-1.0	-56.45	333.61	3.23	-53.22
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007711632	0	34	-1.0	-52.55	309.62	1.32	-51.23
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007711633	0	38	-1.0	-46.33	313.62	7.61	-38.72
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007711634	0	38	-1.0	-45.80	323.12	7.21	-38.59
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007711635	0	42	-1.0	-46.81	336.05	5.74	-41.07
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007711636	0	29	-1.0	-50.51	269.68	2.24	-48.27
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711637	0	32	-1.0	-42.70	286.99	4.21	-38.49
CCC(C)(C)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711638	0	43	-1.0	-44.16	339.86	6.66	-37.50
CC(C)OC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711639	0	38	-1.0	-44.89	316.80	4.70	-40.19
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007711640	0	33	-1.0	-40.02	300.19	6.42	-33.60
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007711641	0	39	-1.0	-51.84	353.87	7.20	-44.64
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711642	0	34	-1.0	-41.61	298.41	4.35	-37.26
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007711643	0	39	-1.0	-42.95	354.34	7.16	-35.79
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300007711644	0	43	-1.0	-44.65	367.64	6.01	-38.64
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C(C)C)=C1	REAL300007711645	0	55	-1.0	-50.73	401.29	9.50	-41.23
CC(C)OC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300007711646	0	44	-1.0	-47.50	354.50	7.12	-40.38
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007711647	0	31	-1.0	-54.33	304.08	5.52	-48.81
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300007711648	0	38	-1.0	-46.83	313.91	5.54	-41.29
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300007711649	0	46	-1.0	-52.42	385.48	3.80	-48.62
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007711650	0	44	-1.0	-55.06	367.68	1.51	-53.55
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711651	0	33	-1.0	-39.46	280.48	4.87	-34.59
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711652	0	33	-1.0	-43.68	277.71	4.84	-38.84
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711653	0	36	-1.0	-51.85	305.63	6.23	-45.62
COCCC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711654	0	38	-1.0	-44.25	325.49	4.31	-39.94
COC1=C(C)C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C	REAL300007711655	0	38	-1.0	-45.31	321.26	4.78	-40.53
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711656	0	44	-1.0	-44.07	359.45	6.17	-37.90
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007711657	0	42	-1.0	-43.95	344.08	6.09	-37.86
CC(C)COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711658	0	41	-1.0	-44.35	340.49	5.56	-38.79
CCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711659	0	38	-1.0	-44.55	320.40	4.81	-39.74
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Cl	REAL300007711660	0	32	-1.0	-49.05	294.14	3.75	-45.30
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007711661	0	32	-1.0	-48.99	303.40	3.95	-45.04
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1OC(C)C	REAL300007711662	0	41	-1.0	-45.20	337.03	5.48	-39.72
COCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711663	0	39	-1.0	-46.51	332.51	3.34	-43.17
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711664	0	31	-1.0	-40.09	273.56	4.83	-35.26
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1C	REAL300007711665	0	36	-1.0	-50.03	293.83	6.19	-43.84
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711666	0	37	-1.0	-47.69	315.07	1.74	-45.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007711667	0	40	-1.0	-48.39	357.94	1.64	-46.75
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711668	0	36	-1.0	-48.97	325.54	-0.03	-49.00
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711669	0	36	-1.0	-60.40	297.63	2.01	-58.39
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007711670	0	38	-1.0	-46.05	323.64	7.28	-38.77
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007711671	0	31	-1.0	-53.91	305.65	5.49	-48.42
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])S2)=CS1	REAL300007711672	0	34	-1.0	-46.15	328.88	4.42	-41.73
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007711673	0	48	-1.0	-44.18	383.50	7.41	-36.77
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711674	0	36	-1.0	-52.95	305.52	5.62	-47.33
CNC(=O)C1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CN1C	REAL300007711675	0	36	-1.0	-52.84	312.55	1.55	-51.29
COC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1	REAL300007711676	0	38	-1.0	-50.42	298.00	4.42	-46.00
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007711677	0	39	-1.0	-51.04	332.84	8.02	-43.02
COC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C	REAL300007711678	0	38	-1.0	-44.15	304.43	4.39	-39.76
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007711679	0	36	-1.0	-51.59	291.64	4.89	-46.70
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007711680	0	41	-1.0	-54.23	347.93	7.66	-46.57
CCN1C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007711681	0	33	-1.0	-61.24	298.27	4.55	-56.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007711682	0	35	-1.0	-45.01	319.85	4.48	-40.53
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007711683	0	42	-1.0	-45.61	360.19	7.07	-38.54
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007711684	0	38	-1.0	-45.78	333.52	5.41	-40.37
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711685	0	50	-1.0	-42.03	385.86	6.83	-35.20
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007711686	0	36	-1.0	-48.70	321.11	0.55	-48.15
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007711687	0	43	-1.0	-54.21	370.87	2.93	-51.28
CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300007711688	0	41	-1.0	-48.37	332.64	6.15	-42.22
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711689	0	38	-1.0	-45.97	311.81	5.24	-40.73
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007711690	0	33	-1.0	-59.87	296.39	4.00	-55.87
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007711691	0	35	-1.0	-48.97	308.25	5.01	-43.96
CCOCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711692	0	42	-1.0	-46.89	354.38	4.24	-42.65
CCCCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711693	0	44	-1.0	-44.40	363.40	6.37	-38.03
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007711694	0	34	-1.0	-47.45	297.85	5.69	-41.76
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007711695	0	32	-1.0	-41.00	303.94	5.25	-35.75
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007711696	0	36	-1.0	-62.08	312.20	5.12	-56.96
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007711697	0	33	-1.0	-48.62	297.19	3.97	-44.65
CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1	REAL300007711698	0	38	-1.0	-43.83	304.24	4.46	-39.37
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711699	0	36	-1.0	-49.05	325.54	-0.03	-49.08
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007711700	0	32	-1.0	-44.84	280.16	4.01	-40.83
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300007711701	0	46	-1.0	-55.18	385.23	3.81	-51.37
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007711702	0	34	-1.0	-55.62	311.36	5.60	-50.02
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711703	0	39	-1.0	-42.73	317.41	5.60	-37.13
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007711704	0	34	-1.0	-47.28	283.79	3.51	-43.77
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007711705	0	40	-1.0	-53.17	341.47	5.77	-47.40
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(F)(F)F	REAL300007711706	0	34	-1.0	-50.02	303.05	5.42	-44.60
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007711707	0	34	-1.0	-52.20	321.45	4.65	-47.55
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007711708	0	37	-1.0	-47.28	314.27	5.47	-41.81
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C12	REAL300007711709	0	36	-1.0	-48.72	314.43	3.56	-45.16
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711710	0	35	-1.0	-56.41	317.07	4.43	-51.98
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007711711	0	39	-1.0	-56.23	321.78	5.15	-51.08
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007711712	0	40	-1.0	-55.81	345.53	2.30	-53.51
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007711713	0	35	-1.0	-40.72	317.26	4.38	-36.34
COC1=CC(OC)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300007711714	0	36	-1.0	-43.27	320.02	3.67	-39.60
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007711715	0	41	-1.0	-59.43	369.44	5.98	-53.45
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007711716	0	36	-1.0	-48.42	305.72	4.56	-43.86
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007711717	0	31	-1.0	-45.73	298.17	5.49	-40.24
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711718	0	40	-1.0	-53.25	329.35	2.34	-50.91
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007711719	0	39	-1.0	-45.72	354.35	7.15	-38.57
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007711720	0	34	-1.0	-51.21	314.54	4.51	-46.70
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007711721	0	34	-1.0	-51.73	331.26	5.03	-46.70
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2)=CO1	REAL300007711722	0	37	-1.0	-50.47	325.31	2.85	-47.62
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007711723	0	31	-1.0	-56.19	289.57	2.61	-53.58
CC1=CC=C(N2C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=N2)C=C1	REAL300007711724	0	38	-1.0	-46.80	329.65	5.69	-41.11
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007711725	0	36	-1.0	-43.62	321.33	4.97	-38.65
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007711726	0	33	-1.0	-41.16	293.65	5.05	-36.11
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=N1	REAL300007711727	0	39	-1.0	-54.68	336.35	4.65	-50.03
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007711728	0	30	-1.0	-46.88	279.54	3.33	-43.55
CC1=CC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2C=C1	REAL300007711729	0	37	-1.0	-51.23	315.91	6.84	-44.39
CC(C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007711730	0	34	-1.0	-41.82	309.50	5.87	-35.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007711731	0	40	-1.0	-47.21	321.76	4.40	-42.81
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007711732	0	30	-1.0	-42.76	282.28	3.08	-39.68
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711733	0	36	-1.0	-51.65	302.22	4.30	-47.35
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711734	0	36	-1.0	-47.43	297.02	5.36	-42.07
CC1=CC=C(C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007711735	0	36	-1.0	-47.57	301.49	6.88	-40.69
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007711736	0	36	-1.0	-44.28	299.24	5.48	-38.80
COC1=CC=C(CCS(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711737	0	38	-1.0	-43.54	322.41	4.70	-38.84
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007711738	0	37	-1.0	-44.98	322.41	5.51	-39.47
COC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC(OC)=C1	REAL300007711739	0	36	-1.0	-51.68	307.09	2.43	-49.25
CC1=CC2=C(C=C1S(=O)(=O)N(C)C(C)C(=O)[O-])OCO2	REAL300007711740	0	34	-1.0	-42.11	278.25	2.87	-39.24
COC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1Cl	REAL300007711741	0	32	-1.0	-47.59	294.15	3.76	-43.83
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007711742	0	36	-1.0	-61.14	297.94	5.44	-55.70
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711743	0	36	-1.0	-46.22	296.79	5.79	-40.43
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711744	0	38	-1.0	-55.18	306.55	5.43	-49.75
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007711745	0	34	-1.0	-58.90	283.73	5.42	-53.48
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007711746	0	35	-1.0	-51.14	303.68	3.65	-47.49
CC(C(=O)[O-])N(C)S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007711747	0	41	-1.0	-57.61	349.33	5.42	-52.19
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007711748	0	32	-1.0	-51.70	279.78	3.77	-47.93
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007711749	0	30	-1.0	-50.83	275.29	3.54	-47.29
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2)=N1	REAL300007711750	0	37	-1.0	-44.72	335.68	5.34	-39.38
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007711751	0	35	-1.0	-49.09	314.55	1.74	-47.35
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007711752	0	37	-1.0	-52.24	303.85	4.25	-47.99
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007711753	0	31	-1.0	-53.63	292.04	5.06	-48.57
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711754	0	53	-1.0	-44.08	427.87	8.77	-35.31
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711755	0	38	-1.0	-42.58	333.18	6.00	-36.58
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711756	0	41	-1.0	-45.16	339.46	5.53	-39.63
COC(CS(=O)(=O)N(C)C(C)C(=O)[O-])C1CCCCC1	REAL300007711757	0	44	-1.0	-53.48	339.76	4.86	-48.62
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007711758	0	42	-1.0	-50.27	366.10	7.25	-43.02
CCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300007711759	0	47	-1.0	-49.37	379.57	6.87	-42.50
CCC1=NC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CN1CC1CC1	REAL300007711760	0	41	-1.0	-57.24	342.66	5.70	-51.54
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007711761	0	36	-1.0	-48.24	302.85	5.82	-42.42
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007711762	0	41	-1.0	-50.68	351.91	6.17	-44.51
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007711763	0	31	-1.0	-41.24	287.15	2.32	-38.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007711764	0	39	-1.0	-50.78	348.95	7.90	-42.88
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007711765	0	38	-1.0	-56.30	305.73	6.81	-49.49
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007711766	0	48	-1.0	-46.44	400.60	8.64	-37.80
CCC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(C)C=C1OC	REAL300007711767	0	41	-1.0	-43.06	323.66	4.96	-38.10
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007711768	0	34	-1.0	-40.62	320.64	5.74	-34.88
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007711769	0	37	-1.0	-49.62	297.34	6.92	-42.70
CC(C)OC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=N1	REAL300007711770	0	37	-1.0	-42.92	316.71	2.39	-40.53
CCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300007711771	0	44	-1.0	-50.00	358.58	6.15	-43.85
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007711772	0	40	-1.0	-49.01	326.33	6.08	-42.93
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007711773	0	47	-1.0	-54.35	374.19	8.45	-45.90
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007711774	0	38	-1.0	-46.85	306.01	3.93	-42.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007711775	0	40	-1.0	-42.24	316.77	4.16	-38.08
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007711776	0	38	-1.0	-50.07	316.01	4.25	-45.82
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007711777	0	31	-1.0	-43.96	274.20	2.48	-41.48
COC1=CC=C(F)C=C1CS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711778	0	35	-1.0	-56.82	306.74	3.98	-52.84
CCCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300007711779	0	50	-1.0	-49.04	401.58	7.73	-41.31
CC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007711780	0	32	-1.0	-50.59	297.14	5.55	-45.04
CCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(C)(C)C	REAL300007711781	0	50	-1.0	-45.72	391.56	7.56	-38.16
CCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1CC	REAL300007711782	0	44	-1.0	-49.00	362.66	6.34	-42.66
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711783	0	34	-1.0	-47.76	285.29	5.64	-42.12
COCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300007711784	0	39	-1.0	-50.93	354.01	4.06	-46.87
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711785	0	34	-1.0	-40.64	310.33	5.80	-34.84
CC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007711786	0	32	-1.0	-45.02	295.08	5.40	-39.62
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711787	0	44	-1.0	-50.37	363.44	6.65	-43.72
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300007711788	0	43	-1.0	-44.00	378.34	7.73	-36.27
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007711789	0	38	-1.0	-49.22	314.13	4.40	-44.82
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007711790	0	39	-1.0	-47.11	322.73	1.90	-45.21
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007711791	0	34	-1.0	-46.31	314.39	4.76	-41.55
CCCCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300007711792	0	53	-1.0	-49.28	422.57	8.44	-40.84
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C	REAL300007711793	0	44	-1.0	-46.38	348.69	5.87	-40.51
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711794	0	38	-1.0	-42.97	316.13	5.28	-37.69
CCOCCOC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300007711795	0	51	-1.0	-51.65	413.55	6.29	-45.36
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007711796	0	36	-1.0	-43.89	316.21	3.52	-40.37
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007711797	0	34	-1.0	-48.18	301.22	4.46	-43.72
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007711798	0	32	-1.0	-49.14	298.70	4.28	-44.86
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=C1F	REAL300007711799	0	37	-1.0	-45.40	294.93	5.90	-39.50
COC1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1OC	REAL300007711800	0	36	-1.0	-51.39	296.87	3.72	-47.67
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007711801	0	41	-1.0	-51.00	328.01	4.49	-46.51
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711802	0	40	-1.0	-49.94	325.05	4.42	-45.52
CCCCN1C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C)=N1	REAL300007711803	0	40	-1.0	-50.84	329.55	4.36	-46.48
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007711804	0	32	-1.0	-45.26	288.18	3.37	-41.89
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1Br	REAL300007711805	0	34	-1.0	-40.72	292.06	5.40	-35.32
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007711806	0	34	-1.0	-42.61	317.14	4.94	-37.67
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007711807	0	38	-1.0	-51.07	311.44	4.01	-47.06
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711808	0	46	-1.0	-44.43	351.29	7.35	-37.08
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007711809	0	34	-1.0	-49.30	319.56	5.68	-43.62
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007711810	0	38	-1.0	-45.89	321.54	4.50	-41.39
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007711811	0	39	-1.0	-42.12	334.83	6.53	-35.59
COC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007711812	0	37	-1.0	-65.73	313.54	5.02	-60.71
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007711813	0	33	-1.0	-45.76	299.54	3.71	-42.05
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007711814	0	31	-1.0	-40.00	294.57	4.94	-35.06
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711815	0	39	-1.0	-48.52	333.51	5.83	-42.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007711816	0	39	-1.0	-51.76	315.83	6.84	-44.92
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007711817	0	34	-1.0	-49.54	309.69	4.81	-44.73
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007711818	0	35	-1.0	-58.11	301.46	2.18	-55.93
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711819	0	38	-1.0	-42.60	345.13	4.57	-38.03
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007711820	0	28	-1.0	-54.59	270.17	4.07	-50.52
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007711821	0	38	-1.0	-47.05	311.89	4.36	-42.69
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007711822	0	42	-1.0	-50.97	340.65	2.77	-48.20
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007711823	0	34	-1.0	-50.56	301.58	5.34	-45.22
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007711824	0	32	-1.0	-45.23	288.69	3.45	-41.78
CC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007711825	0	43	-1.0	-42.01	343.15	6.54	-35.47
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=NC=CC=C12	REAL300007711826	0	39	-1.0	-55.20	315.65	6.03	-49.17
CC(C(=O)[O-])N(C)S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007711827	0	36	-1.0	-44.80	303.51	3.93	-40.87
CCOCC1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711828	0	38	-1.0	-52.48	325.30	4.43	-48.05
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007711829	0	31	-1.0	-45.83	306.96	5.89	-39.94
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007711830	0	38	-1.0	-46.24	325.23	4.90	-41.34
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007711831	0	41	-1.0	-46.79	334.07	4.84	-41.95
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007711832	0	39	-1.0	-44.20	337.62	6.64	-37.56
CC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC(C)=C1Br	REAL300007711833	0	34	-1.0	-42.42	305.38	5.64	-36.78
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007711834	0	31	-1.0	-45.83	306.96	5.89	-39.94
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300007711835	0	37	-1.0	-48.83	300.33	6.44	-42.39
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007711836	0	38	-1.0	-59.13	324.31	4.96	-54.17
CC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007711837	0	32	-1.0	-50.58	301.70	5.64	-44.94
CC(C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007711838	0	32	-1.0	-43.75	300.74	5.66	-38.09
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007711839	0	30	-1.0	-45.90	278.50	3.25	-42.65
CC1=NC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007711840	0	37	-1.0	-52.76	324.98	2.77	-49.99
CC(C(=O)[O-])N(C)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007711841	0	45	-1.0	-42.43	325.97	6.68	-35.75
CC(C(=O)[O-])N(C)S(=O)(=O)CCCCS(C)(=O)=O	REAL300007711842	0	36	-1.0	-64.12	318.89	0.64	-63.48
CC(C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007711843	0	32	-1.0	-46.93	297.46	2.93	-44.00
CC(C(=O)[O-])N(C)S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007711844	0	38	-1.0	-44.03	330.91	6.66	-37.37
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007711845	0	50	-1.0	-50.47	377.69	7.99	-42.48
COC1=CC=C(C=C(C)S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711846	0	39	-1.0	-44.78	325.10	4.90	-39.88
COC1=CSC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1OC	REAL300007711847	0	33	-1.0	-42.03	298.14	1.86	-40.17
CC(C(=O)[O-])N(C)S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007711848	0	39	-1.0	-44.17	322.10	5.51	-38.66
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007711849	0	32	-1.0	-46.69	290.87	4.72	-41.97
COC1=CC(F)=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(F)=C1	REAL300007711850	0	32	-1.0	-52.79	286.17	3.43	-49.36
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007711851	0	32	-1.0	-51.57	293.60	3.47	-48.10
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007711852	0	37	-1.0	-49.26	327.37	4.34	-44.92
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711853	0	41	-1.0	-51.09	339.14	6.26	-44.83
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007711854	0	39	-1.0	-51.90	337.07	6.58	-45.32
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007711855	0	34	-1.0	-50.29	282.11	5.50	-44.79
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007711856	0	29	-1.0	-46.90	288.46	2.75	-44.15
C=C(C)COC1=CC=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711857	0	39	-1.0	-45.16	332.60	5.42	-39.74
CCN1C=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C2CC2)=N1	REAL300007711858	0	38	-1.0	-46.98	318.85	4.33	-42.65
CC1=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300007711859	0	32	-1.0	-55.67	281.91	2.94	-52.73
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007711860	0	34	-1.0	-44.29	310.18	6.63	-37.66
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007711861	0	38	-1.0	-49.40	339.29	7.74	-41.66
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007711862	0	27	-1.0	-41.44	276.77	1.85	-39.59
CCC1=CC(S(=O)(=O)N(C)C(C)C(=O)[O-])=CC=C1Br	REAL300007711863	0	34	-1.0	-47.06	307.15	5.70	-41.36
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711864	0	41	-1.0	-44.79	334.39	5.01	-39.78
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711865	0	42	-1.0	-45.75	346.98	4.24	-41.51
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007711866	0	34	-1.0	-48.28	296.22	6.28	-42.00
CC(C(=O)[O-])N(C)S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007711867	0	36	-1.0	-45.68	296.83	1.48	-44.20
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007711868	0	34	-1.0	-50.21	313.34	3.68	-46.53
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007711869	0	43	-1.0	-44.66	349.45	4.16	-40.50
COC1=NC=C(Cl)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711870	0	31	-1.0	-42.61	286.84	1.62	-40.99
CC(C(=O)[O-])N(C)S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007711871	0	38	-1.0	-51.88	309.21	1.47	-50.41
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007711872	0	33	-1.0	-46.01	300.97	5.78	-40.23
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007711873	0	39	-1.0	-53.27	320.77	4.21	-49.06
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007711874	0	35	-1.0	-54.16	304.64	4.86	-49.30
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C1	REAL300007711875	0	42	-1.0	-49.43	357.41	7.47	-41.96
CC(C(=O)[O-])N(C)S(=O)(=O)N1CC=C(Br)CC1	REAL300007711876	0	31	-1.0	-48.61	275.05	3.27	-45.34
CC(C(=O)[O-])N(C)S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007711877	0	36	-1.0	-58.87	301.37	-0.51	-59.38
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300007711878	0	51	-1.0	-45.33	420.42	9.00	-36.33
COC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C(C(F)F)=C1	REAL300007711879	0	35	-1.0	-46.62	295.20	4.34	-42.28
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C(C)C(=O)[O-]	REAL300007711880	0	34	-1.0	-41.83	307.38	2.11	-39.72
CC1=CC=C(S(=O)(=O)N(C)C(C)C(=O)[O-])C2=NC=CC=C12	REAL300007711881	0	36	-1.0	-53.65	299.85	5.47	-48.18
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007711882	0	35	-1.0	-48.70	316.77	4.72	-43.98
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)C(C)C(=O)[O-])=C1	REAL300007711883	0	41	-1.0	-46.89	332.91	5.97	-40.92
CCC(CC)(NS(=O)(=O)C1=CC=CC(C(C)=O)=C1)C(=O)[O-]	REAL300007711884	0	39	-1.0	-45.31	305.60	4.02	-41.29
CCC(C)C1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300007711885	0	46	-1.0	-40.90	343.85	6.26	-34.64
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)S1)C(=O)[O-]	REAL300007711886	0	31	-1.0	-51.82	275.14	3.67	-48.15
CCC(CC)(NS(=O)(=O)C1=CC(C)=CC=C1OC)C(=O)[O-]	REAL300007711887	0	41	-1.0	-44.90	320.81	4.50	-40.40
CCC(CC)(NS(=O)(=O)C1=CC(Br)=CC=C1C)C(=O)[O-]	REAL300007711888	0	37	-1.0	-43.44	310.48	5.56	-37.88
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)C(=O)[O-]	REAL300007711889	0	38	-1.0	-56.36	308.23	4.36	-52.00
CCC(CC)(NS(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007711890	0	40	-1.0	-50.37	325.86	1.19	-49.18
CCC(CC)(NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1)C(=O)[O-]	REAL300007711891	0	38	-1.0	-50.69	312.56	3.84	-46.85
CCC(CC)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1C)C(=O)[O-]	REAL300007711892	0	45	-1.0	-59.25	335.04	3.84	-55.41
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)C=C1C)C(=O)[O-]	REAL300007711893	0	37	-1.0	-41.80	306.71	5.49	-36.31
CCC(CC)(NS(=O)(=O)N(C)C1CCCCC1)C(=O)[O-]	REAL300007711894	0	45	-1.0	-57.02	317.30	4.83	-52.19
CCC(CC)(NS(=O)(=O)C1=C(C)N(C)N=C1C)C(=O)[O-]	REAL300007711895	0	40	-1.0	-56.08	302.99	2.93	-53.15
CCC(CC)(NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007711896	0	50	-1.0	-54.96	368.78	7.99	-46.97
CCC(CC)(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(=O)[O-]	REAL300007711897	0	40	-1.0	-44.37	308.90	2.77	-41.60
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1Br)C(=O)[O-]	REAL300007711898	0	34	-1.0	-56.62	279.27	4.70	-51.92
CCC(CC)(NS(=O)(=O)C1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007711899	0	34	-1.0	-52.17	288.00	4.67	-47.50
CCC(CC)(NS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007711900	0	39	-1.0	-42.90	293.89	5.87	-37.03
CCC(CC)(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007711901	0	40	-1.0	-55.95	330.76	6.27	-49.68
CCC(CC)(NS(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)[O-]	REAL300007711902	0	44	-1.0	-42.47	351.03	0.35	-42.12
CCC(CC)(NS(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1)C(=O)[O-]	REAL300007711903	0	45	-1.0	-40.65	347.62	5.50	-35.15
CCC(CC)(NS(=O)(=O)C1=CC(C)=CC(F)=C1)C(=O)[O-]	REAL300007711904	0	37	-1.0	-55.15	295.69	4.87	-50.28
CCC(CC)(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(=O)[O-]	REAL300007711905	0	40	-1.0	-54.34	312.55	4.66	-49.68
CCC(CC)(NS(=O)(=O)C1=CC=C(COC)C=C1)C(=O)[O-]	REAL300007711906	0	41	-1.0	-56.06	321.15	3.90	-52.16
CCOC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=N1	REAL300007711907	0	40	-1.0	-39.91	313.50	1.17	-38.74
CCC(CC)(NS(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007711908	0	43	-1.0	-68.33	352.08	2.30	-66.03
CCC(CC)(NS(=O)(=O)CCCS(C)(=O)=O)C(=O)[O-]	REAL300007711909	0	39	-1.0	-45.31	316.35	-0.18	-45.49
CCC(CC)(NS(=O)(=O)C1=CC=C(OC)C(C)=C1C)C(=O)[O-]	REAL300007711910	0	44	-1.0	-42.62	326.94	4.52	-38.10
CCC(CC)(NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2)C(=O)[O-]	REAL300007711911	0	39	-1.0	-60.44	321.32	4.56	-55.88
CCC(CC)(NS(=O)(=O)CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007711912	0	37	-1.0	-37.91	312.43	5.12	-32.79
CCC(CC)(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(=O)[O-]	REAL300007711913	0	39	-1.0	-57.34	308.39	4.52	-52.82
CCC(CC)(NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300007711914	0	44	-1.0	-60.87	327.83	-0.50	-61.37
CCC(CC)(NS(=O)(=O)N(C)C1CCOCC1)C(=O)[O-]	REAL300007711915	0	43	-1.0	-56.79	308.05	2.40	-54.39
CCC(CC)(NS(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1)C(=O)[O-]	REAL300007711916	0	43	-1.0	-58.49	333.07	5.08	-53.41
CCN1N=C(C)C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1C	REAL300007711917	0	43	-1.0	-51.69	321.18	3.60	-48.09
CCC(CC)(NS(=O)(=O)C1=CN(C(C)C)N=C1)C(=O)[O-]	REAL300007711918	0	40	-1.0	-52.65	311.27	3.05	-49.60
CCC(CC)(NS(=O)(=O)C1=CN(CC(C)C)C=N1)C(=O)[O-]	REAL300007711919	0	43	-1.0	-62.86	333.00	5.72	-57.14
CCC(CC)(NS(=O)(=O)C1=CN(C(C)C)C=N1)C(=O)[O-]	REAL300007711920	0	40	-1.0	-46.42	311.86	4.06	-42.36
CCC(CC)(NS(=O)(=O)C1=CNC(C(C)C)=N1)C(=O)[O-]	REAL300007711921	0	40	-1.0	-58.59	310.97	3.41	-55.18
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(=O)[O-]	REAL300007711922	0	46	-1.0	-45.59	323.86	6.68	-38.91
CCC(CC)(NS(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1)C(=O)[O-]	REAL300007711923	0	42	-1.0	-47.84	330.91	3.03	-44.81
CCC(CC)(NS(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl)C(=O)[O-]	REAL300007711924	0	42	-1.0	-42.38	339.46	3.69	-38.69
CCC(CC)(NS(=O)(=O)C1=CC=C(C)C(Br)=C1)C(=O)[O-]	REAL300007711925	0	37	-1.0	-55.61	307.06	5.37	-50.24
CCC(CC)(NS(=O)(=O)C1=CC=CC(F)=C1C)C(=O)[O-]	REAL300007711926	0	37	-1.0	-53.31	282.10	4.74	-48.57
CCC(CC)(NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21)C(=O)[O-]	REAL300007711927	0	40	-1.0	-54.65	317.69	6.62	-48.03
CCC(CC)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F)C(=O)[O-]	REAL300007711928	0	39	-1.0	-34.92	323.53	5.89	-29.03
CCC(CC)(NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1)C(=O)[O-]	REAL300007711929	0	38	-1.0	-53.25	312.54	3.81	-49.44
CCC(CC)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21)C(=O)[O-]	REAL300007711930	0	41	-1.0	-45.22	337.77	5.32	-39.90
CCC(CC)(NS(=O)(=O)C1=C(C)N(CC(C)C)N=C1C)C(=O)[O-]	REAL300007711931	0	49	-1.0	-56.05	365.76	5.32	-50.73
CCC(CC)(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(=O)[O-]	REAL300007711932	0	37	-1.0	-54.03	298.26	5.04	-48.99
CCC(CC)(NS(=O)(=O)C1=CC(COC)=CC=C1OC)C(=O)[O-]	REAL300007711933	0	45	-1.0	-63.43	346.45	3.60	-59.83
CCC(CC)(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007711936	0	38	-1.0	-43.27	305.81	3.90	-39.37
CCC(CC)(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300007711937	0	45	-1.0	-63.19	352.55	4.18	-59.01
CCC(CC)(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300007711938	0	45	-1.0	-47.55	357.63	0.65	-46.90
CCC(CC)(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007711939	0	52	-1.0	-38.23	348.71	5.96	-32.27
CCC(CC)(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007711940	0	42	-1.0	-49.53	332.65	4.88	-44.65
CCC(CC)(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007711941	0	42	-1.0	-49.62	330.08	5.68	-43.94
CCC(CC)(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007711942	0	45	-1.0	-55.33	343.64	2.51	-52.82
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300007711943	0	48	-1.0	-45.15	392.94	5.33	-39.82
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300007711944	0	48	-1.0	-64.23	379.87	5.21	-59.02
CCCN1C=NC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300007711945	0	40	-1.0	-45.31	315.79	4.57	-40.74
CCC(CC)(NS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300007711946	0	48	-1.0	-57.90	377.25	1.57	-56.33
CCC(CC)(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007711947	0	50	-1.0	-37.70	368.76	5.08	-32.62
CCC(CC)(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007711948	0	41	-1.0	-39.08	332.13	3.90	-35.18
CCC(CC)(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007711949	0	42	-1.0	-40.66	323.83	1.29	-39.37
CCC(CC)(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300007711950	0	38	-1.0	-39.99	315.20	3.55	-36.44
CCC(CC)(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007711951	0	38	-1.0	-43.91	315.68	4.42	-39.49
CCC(CC)(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300007711952	0	40	-1.0	-39.09	319.99	4.38	-34.71
CCC(CC)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300007711953	0	40	-1.0	-53.40	315.94	5.66	-47.74
CCC(CC)(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300007711954	0	40	-1.0	-43.56	328.29	5.94	-37.62
CCC(CC)(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007711955	0	40	-1.0	-51.36	321.99	5.70	-45.66
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300007711956	0	43	-1.0	-59.59	312.69	5.84	-53.75
CCC(CC)(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007711957	0	46	-1.0	-38.69	341.06	0.76	-37.93
CCOC1=CC=CC(S(=O)(=O)NC(CC)(CC)C(=O)[O-])=C1	REAL300007711958	0	41	-1.0	-54.99	318.06	4.27	-50.72
CCC(CC)(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300007711959	0	41	-1.0	-41.00	325.58	1.16	-39.84
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007711960	0	41	-1.0	-59.78	331.57	4.68	-55.10
CCC(CC)(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007711961	0	42	-1.0	-58.86	342.15	6.48	-52.38
CCC(CC)(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007711962	0	39	-1.0	-56.05	307.82	4.31	-51.74
CCC(CC)(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007711963	0	37	-1.0	-59.14	313.84	5.63	-53.51
CCC(CC)(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007711964	0	37	-1.0	-57.24	309.47	5.57	-51.67
CCC(CC)(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007711965	0	41	-1.0	-52.59	329.81	1.54	-51.05
CCC(CC)(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300007711966	0	37	-1.0	-54.41	310.58	5.42	-48.99
CCC(CC)(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007711967	0	37	-1.0	-53.50	294.93	5.26	-48.24
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300007711968	0	41	-1.0	-42.86	318.20	4.14	-38.72
CCC(CC)(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300007711969	0	38	-1.0	-39.06	315.62	3.64	-35.42
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300007711970	0	42	-1.0	-61.06	337.44	3.73	-57.33
CCC(CC)(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007711971	0	37	-1.0	-53.18	310.46	3.03	-50.15
CCC(CC)(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007711972	0	37	-1.0	-52.82	305.58	2.82	-50.00
CCC(CC)(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007711973	0	45	-1.0	-42.26	341.88	4.88	-37.38
CCC(CC)(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007711974	0	37	-1.0	-53.46	306.77	3.34	-50.12
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CC)(CC)C(=O)[O-]	REAL300007711975	0	45	-1.0	-63.92	331.91	2.27	-61.65
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300007711976	0	46	-1.0	-58.37	370.71	3.31	-55.06
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007711977	0	38	-1.0	-42.89	303.89	4.97	-37.92
CCC(CC)(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007711978	0	42	-1.0	-38.18	342.00	0.42	-37.76
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300007711979	0	48	-1.0	-45.23	384.30	1.47	-43.76
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007711980	0	45	-1.0	-68.96	343.46	4.09	-64.87
CCC(CC)(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300007711981	0	45	-1.0	-56.37	366.77	1.69	-54.68
CCC1=CC=C(CS(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1	REAL300007711982	0	43	-1.0	-41.42	334.02	5.93	-35.49
CCC(CC)(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007711983	0	37	-1.0	-39.65	302.86	4.38	-35.27
CCC(CC)(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007711984	0	49	-1.0	-42.66	379.46	4.12	-38.54
CCC(CC)(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007711985	0	46	-1.0	-67.89	354.33	3.52	-64.37
CCC(CC)(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300007711986	0	43	-1.0	-66.99	344.93	2.36	-64.63
CCC(CC)(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300007711987	0	44	-1.0	-45.50	360.09	1.35	-44.15
CCC(CC)(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007711988	0	43	-1.0	-59.46	330.97	6.22	-53.24
CCOC1=CC=C(S(=O)(=O)NC(CC)(CC)C(=O)[O-])C=C1Br	REAL300007711989	0	41	-1.0	-39.74	337.47	4.56	-35.18
CCC(CC)(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007711990	0	48	-1.0	-44.87	372.64	6.69	-38.18
CCC(CC)(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007711991	0	38	-1.0	-56.85	317.62	4.68	-52.17
CCC(CC)(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300007711992	0	41	-1.0	-58.32	337.54	4.81	-53.51
CCC(CC)(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300007711993	0	43	-1.0	-55.09	305.43	2.78	-52.31
CCC(CC)(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007711994	0	48	-1.0	-53.92	379.69	6.14	-47.78
CCC(CC)(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300007711995	0	41	-1.0	-60.80	331.39	5.04	-55.76
CCC(CC)(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007711996	0	46	-1.0	-42.77	355.17	5.16	-37.61
CCC(CC)(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300007711997	0	41	-1.0	-44.65	331.22	-1.47	-46.12
CCC(CC)(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007711998	0	40	-1.0	-54.20	322.92	5.65	-48.55
CCC(CC)(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007711999	0	37	-1.0	-53.27	322.11	6.04	-47.23
CCC(CC)(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007712000	0	40	-1.0	-39.80	329.71	6.33	-33.47
COCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007713132	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-]	REAL300007713133	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	REAL300007713134	0	43	-1.0	-56.56	380.77	-0.96	-57.52
COCCC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007713135	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-]	REAL300007713136	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-]	REAL300007713137	0	40	-1.0	-52.37	353.47	4.00	-48.37
COCCC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007713138	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-]	REAL300007713139	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-]	REAL300007713140	0	46	-1.0	-44.21	395.36	3.45	-40.76
CCCN1C=NC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300007713141	0	38	-1.0	-60.40	334.29	3.14	-57.26
COCCC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007713142	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-]	REAL300007713143	0	39	-1.0	-43.02	358.20	2.43	-40.59
COCCC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007713144	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-]	REAL300007713145	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-]	REAL300007713146	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-]	REAL300007713147	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-]	REAL300007713148	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-]	REAL300007713149	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-]	REAL300007713150	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-]	REAL300007713151	0	41	-1.0	-58.03	333.32	3.60	-54.43
CCOC1=CC=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300007713152	0	39	-1.0	-45.02	340.98	2.38	-42.64
COCCC(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300007713153	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-]	REAL300007713154	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-]	REAL300007713155	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-]	REAL300007713156	0	37	-1.0	-48.38	328.90	2.46	-45.92
COCCC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007713157	0	35	-1.0	-42.61	333.60	3.43	-39.18
COCCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007713158	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-]	REAL300007713159	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-]	REAL300007713160	0	35	-1.0	-41.93	330.43	3.37	-38.56
COCCC(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007713161	0	35	-1.0	-41.37	319.98	3.47	-37.90
COCCC(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300007713162	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-]	REAL300007713163	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-]	REAL300007713164	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-]	REAL300007713165	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-]	REAL300007713166	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-]	REAL300007713167	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-]	REAL300007713168	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	REAL300007713169	0	44	-1.0	-57.39	392.62	1.29	-56.10
COCCC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007713170	0	36	-1.0	-44.87	322.51	3.13	-41.74
CCC1=CC=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300007713171	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-]	REAL300007713172	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-]	REAL300007713173	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	REAL300007713174	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	REAL300007713175	0	41	-1.0	-57.31	355.44	4.21	-53.10
COCCC(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007713176	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-]	REAL300007713177	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-]	REAL300007713178	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	REAL300007713179	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-]	REAL300007713180	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-]	REAL300007713181	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	REAL300007713182	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-]	REAL300007713183	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-]	REAL300007713184	0	36	-1.0	-39.93	325.46	2.62	-37.31
COCCC(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300007713185	0	39	-1.0	-45.73	358.50	2.68	-43.05
COCCC(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300007713186	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-]	REAL300007713187	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-]	REAL300007713188	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-]	REAL300007713189	0	44	-1.0	-46.54	380.69	3.67	-42.87
CCS(=O)(=O)NCCS(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300007713190	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-]	REAL300007713191	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-]	REAL300007713192	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-]	REAL300007713193	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-]	REAL300007713194	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-]	REAL300007713195	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-]	REAL300007713196	0	38	-1.0	-55.84	350.19	3.85	-51.99
COCCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007713197	0	43	-1.0	-45.10	369.69	3.42	-41.68
COCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007713198	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-]	REAL300007713199	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-]	REAL300007713200	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-]	REAL300007713201	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-]	REAL300007713202	0	43	-1.0	-52.83	363.83	2.74	-50.09
COCCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007713203	0	38	-1.0	-44.45	349.99	4.04	-40.41
COCCC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007713204	0	37	-1.0	-57.98	320.25	-0.87	-58.85
COCCC(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007713205	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-]	REAL300007713206	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-]	REAL300007713207	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-]	REAL300007713208	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-]	REAL300007713209	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-]	REAL300007713210	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	REAL300007713211	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-]	REAL300007713212	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-]	REAL300007713213	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	REAL300007713214	0	50	-1.0	-43.68	390.50	6.74	-36.94
COCCC(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007713215	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-]	REAL300007713216	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-]	REAL300007713217	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-]	REAL300007713218	0	39	-1.0	-51.56	335.68	2.21	-49.35
COCCC(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007713219	0	44	-1.0	-56.96	338.88	3.53	-53.43
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007713220	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-]	REAL300007713222	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-]	REAL300007713223	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-]	REAL300007713224	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-]	REAL300007713226	0	32	-1.0	-40.20	322.54	2.31	-37.89
COCCC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007713227	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-]	REAL300007713228	0	43	-1.0	-56.94	370.92	2.77	-54.17
COCCC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007713229	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-]	REAL300007713230	0	35	-1.0	-46.27	326.15	2.59	-43.68
COCCC(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007713231	0	37	-1.0	-56.18	337.82	1.27	-54.91
COCCC(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007713232	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-]	REAL300007713233	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-]	REAL300007713234	0	43	-1.0	-54.60	358.46	-0.83	-55.43
COCCC(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007713235	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-]	REAL300007713236	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-]	REAL300007713237	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-]	REAL300007713238	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-]	REAL300007713239	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-]	REAL300007713240	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-]	REAL300007713241	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-]	REAL300007713242	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-]	REAL300007713243	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-]	REAL300007713244	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-]	REAL300007713245	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-]	REAL300007713246	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	REAL300007713247	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-]	REAL300007713248	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-]	REAL300007713249	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-]	REAL300007713250	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-]	REAL300007713251	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-]	REAL300007713252	0	35	-1.0	-59.40	306.62	2.84	-56.56
COCCC(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007713253	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-]	REAL300007713254	0	37	-1.0	-53.35	330.18	2.48	-50.87
COCCC(NS(=O)(=O)C1=CC(C)=CC=C1C)C(=O)[O-]	REAL300007713255	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-]	REAL300007713256	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-]	REAL300007713257	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-]	REAL300007713258	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-]	REAL300007713259	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-]	REAL300007713260	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-]	REAL300007713261	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	REAL300007713262	0	41	-1.0	-53.85	353.59	4.27	-49.58
COCCC(NS(=O)(=O)C1=CC=CC=C1OC)C(=O)[O-]	REAL300007713263	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-]	REAL300007713264	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-]	REAL300007713265	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-]	REAL300007713266	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-]	REAL300007713267	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-]	REAL300007713268	0	47	-1.0	-53.97	362.93	5.14	-48.83
COCCC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007713269	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-]	REAL300007713270	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-]	REAL300007713271	0	37	-1.0	-59.87	333.36	3.24	-56.63
COCCC(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300007713272	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-]	REAL300007713273	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-]	REAL300007713274	0	35	-1.0	-50.44	327.89	3.06	-47.38
COCCC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007713275	0	42	-1.0	-54.04	351.93	4.55	-49.49
COCCC(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300007713276	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-]	REAL300007713277	0	40	-1.0	-53.24	347.88	1.25	-51.99
COCCC(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300007713278	0	39	-1.0	-46.32	335.53	4.04	-42.28
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007713279	0	40	-1.0	-44.16	338.39	4.41	-39.75
COCCC(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007713280	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-]	REAL300007713281	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	REAL300007713282	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-]	REAL300007713283	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-]	REAL300007713284	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-]	REAL300007713285	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-]	REAL300007713286	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-]	REAL300007713287	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-]	REAL300007713288	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-]	REAL300007713289	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-]	REAL300007713290	0	40	-1.0	-55.75	354.51	3.60	-52.15
COCCC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007713291	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-]	REAL300007713292	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-]	REAL300007713293	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-]	REAL300007713294	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-]	REAL300007713295	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-]	REAL300007713296	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-]	REAL300007713297	0	42	-1.0	-56.30	351.75	5.84	-50.46
COCCC(NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300007713298	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-]	REAL300007713299	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-]	REAL300007713300	0	42	-1.0	-54.48	363.35	5.46	-49.02
COCCC(NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300007713301	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-]	REAL300007713302	0	46	-1.0	-54.67	381.54	4.19	-50.48
COCCC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007713303	0	33	-1.0	-47.22	301.17	0.50	-46.72
COCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007713304	0	36	-1.0	-40.53	316.81	2.72	-37.81
COCCC(NS(=O)(=O)C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300007713305	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	REAL300007713306	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-]	REAL300007713307	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-]	REAL300007713308	0	42	-1.0	-52.59	358.17	2.92	-49.67
CCC1=CC=CC=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300007713309	0	38	-1.0	-55.52	317.57	3.75	-51.77
COCCC(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007713310	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-]	REAL300007713311	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-]	REAL300007713312	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-]	REAL300007713313	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-]	REAL300007713314	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-]	REAL300007713315	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-]	REAL300007713316	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-]	REAL300007713317	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-]	REAL300007713318	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-]	REAL300007713319	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-]	REAL300007713320	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-]	REAL300007713321	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-]	REAL300007713322	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-]	REAL300007713323	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-]	REAL300007713324	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-]	REAL300007713325	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-]	REAL300007713326	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	REAL300007713327	0	42	-1.0	-53.85	365.52	2.58	-51.27
COCCC(NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300007713328	0	44	-1.0	-42.39	357.79	-0.57	-42.96
COCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007713329	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-]	REAL300007713330	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-]	REAL300007713331	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-]	REAL300007713332	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-]	REAL300007713333	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	REAL300007713334	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-]	REAL300007713335	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-]	REAL300007713336	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-]	REAL300007713337	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-]	REAL300007713338	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-]	REAL300007713339	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	REAL300007713340	0	43	-1.0	-55.89	374.12	1.55	-54.34
COCCC(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300007713341	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-]	REAL300007713342	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-]	REAL300007713343	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-]	REAL300007713344	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-]	REAL300007713345	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-]	REAL300007713346	0	34	-1.0	-43.79	315.20	0.70	-43.09
COCCC(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007713347	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-]	REAL300007713348	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-]	REAL300007713349	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-]	REAL300007713350	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-]	REAL300007713351	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-]	REAL300007713352	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	REAL300007713353	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-]	REAL300007713354	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-]	REAL300007713355	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-]	REAL300007713356	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-]	REAL300007713357	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-]	REAL300007713358	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	REAL300007713359	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-]	REAL300007713360	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-]	REAL300007713361	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	REAL300007713362	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-]	REAL300007713363	0	42	-1.0	-46.32	375.95	3.69	-42.63
COCCC(NS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300007713364	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-]	REAL300007713365	0	54	-1.0	-42.80	422.64	4.93	-37.87
COCCC(NS(=O)(=O)CC1=CC=CC(C)=C1)C(=O)[O-]	REAL300007713366	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-]	REAL300007713367	0	40	-1.0	-58.05	366.24	-1.33	-59.38
COCCC(NS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300007713368	0	35	-1.0	-43.08	318.71	2.87	-40.21
COCCC(NS(=O)(=O)CC1=CC=CC=C1C)C(=O)[O-]	REAL300007713369	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	REAL300007713370	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-]	REAL300007713371	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-]	REAL300007713372	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-]	REAL300007713373	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	REAL300007713374	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	REAL300007713375	0	48	-1.0	-53.29	404.99	4.64	-48.65
COCCC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007713376	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-]	REAL300007713377	0	36	-1.0	-51.83	345.33	3.54	-48.29
COCCC(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300007713378	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-]	REAL300007713379	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-]	REAL300007713380	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	REAL300007713381	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-]	REAL300007713382	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-]	REAL300007713383	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-]	REAL300007713384	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-]	REAL300007713385	0	43	-1.0	-42.03	359.15	3.89	-38.14
CCN1C=C(S(=O)(=O)NC(CCOC)C(=O)[O-])N=C1C	REAL300007713386	0	38	-1.0	-49.68	333.26	1.86	-47.82
COCCC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007713387	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-]	REAL300007713388	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-]	REAL300007713389	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-]	REAL300007713390	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-]	REAL300007713391	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-]	REAL300007713392	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-]	REAL300007713393	0	40	-1.0	-50.94	355.51	1.76	-49.18
COCCC(NS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300007713394	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-]	REAL300007713395	0	43	-1.0	-63.09	360.67	3.51	-59.58
COCCC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007713396	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-]	REAL300007713397	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-]	REAL300007713398	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-]	REAL300007713399	0	40	-1.0	-53.21	345.96	2.69	-50.52
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300007713400	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-]	REAL300007713401	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-]	REAL300007713402	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-]	REAL300007713403	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-]	REAL300007713404	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-]	REAL300007713405	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-]	REAL300007713406	0	35	-1.0	-46.62	324.42	0.93	-45.69
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007713407	0	35	-1.0	-49.33	317.48	2.50	-46.83
COCCC(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007713408	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-]	REAL300007713409	0	35	-1.0	-43.08	314.89	-1.21	-44.29
COCCC(NS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300007713410	0	36	-1.0	-54.00	309.43	1.31	-52.69
COCCC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007713411	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-]	REAL300007713412	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-]	REAL300007713413	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-]	REAL300007713414	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-]	REAL300007713415	0	43	-1.0	-58.37	377.51	2.84	-55.53
COCCC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007713416	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-]	REAL300007713417	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-]	REAL300007713418	0	41	-1.0	-54.88	356.42	4.98	-49.90
COCCC(NS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300007713419	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-]	REAL300007713420	0	40	-1.0	-54.63	340.31	2.45	-52.18
COCCC(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300007713421	0	37	-1.0	-48.18	324.16	1.89	-46.29
COCCC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007713422	0	37	-1.0	-58.31	335.91	2.12	-56.19
COCCC(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300007713423	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-]	REAL300007713424	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-]	REAL300007713425	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-]	REAL300007713426	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-]	REAL300007713427	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-]	REAL300007713428	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-]	REAL300007713429	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-]	REAL300007713430	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-]	REAL300007713431	0	42	-1.0	-57.02	363.80	2.84	-54.18
COCCC(NS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300007713432	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-]	REAL300007713433	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-]	REAL300007713434	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-]	REAL300007713435	0	40	-1.0	-48.12	348.96	0.73	-47.39
COCCC(NS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300007713436	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-]	REAL300007713437	0	38	-1.0	-55.43	327.33	1.56	-53.87
COCCC(NS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300007713438	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-]	REAL300007713439	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-]	REAL300007713440	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	REAL300007713441	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-]	REAL300007713442	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-]	REAL300007713443	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-]	REAL300007713444	0	35	-1.0	-54.53	322.63	2.48	-52.05
COCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007713445	0	33	-1.0	-50.38	310.46	0.06	-50.32
CCC1=NC=C(S(=O)(=O)NC(CCOC)C(=O)[O-])S1	REAL300007713446	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-]	REAL300007713447	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-]	REAL300007713448	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-]	REAL300007713449	0	38	-1.0	-60.98	334.25	3.59	-57.39
COCCC(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007713450	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-]	REAL300007713451	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-]	REAL300007713452	0	39	-1.0	-50.29	345.97	1.88	-48.41
COCCC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007713453	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-]	REAL300007713454	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-]	REAL300007713455	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-]	REAL300007713456	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-]	REAL300007713457	0	41	-1.0	-54.60	375.40	3.52	-51.08
COCCC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007713458	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-]	REAL300007713459	0	39	-1.0	-48.60	355.09	-0.02	-48.62
COCCC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007713460	0	41	-1.0	-51.40	338.37	2.76	-48.64
COCCC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007713461	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	REAL300007713462	0	45	-1.0	-45.92	380.00	3.78	-42.14
COCCC(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300007713463	0	45	-1.0	-41.14	362.32	2.38	-38.76
COCCC(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300007713464	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-]	REAL300007713465	0	46	-1.0	-52.05	406.63	5.40	-46.65
CCOC(CS(=O)(=O)NC(CCOC)C(=O)[O-])C1CC1	REAL300007713466	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	REAL300007713467	0	51	-1.0	-53.58	420.38	5.12	-48.46
CCC1=NC(S(=O)(=O)NC(CCOC)C(=O)[O-])=CN1CC1CC1	REAL300007713468	0	45	-1.0	-56.01	378.50	4.41	-51.60
COCCC(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007713469	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-]	REAL300007713470	0	40	-1.0	-50.30	349.39	4.45	-45.85
COCCC(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007713471	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-]	REAL300007713472	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-]	REAL300007713473	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-]	REAL300007713474	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-]	REAL300007713475	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	REAL300007713476	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-]	REAL300007713477	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-]	REAL300007713478	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-]	REAL300007713479	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-]	REAL300007713480	0	41	-1.0	-43.01	356.88	0.65	-42.36
COCCC(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300007713481	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	REAL300007713482	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-]	REAL300007713483	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-]	REAL300007713484	0	51	-1.0	-57.03	414.42	6.58	-50.45
COCCC(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007713485	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-]	REAL300007713486	0	44	-1.0	-56.94	354.24	2.20	-54.74
COCCC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007713487	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-]	REAL300007713488	0	35	-1.0	-45.42	319.53	0.87	-44.55
COCCC(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007713489	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	REAL300007713490	0	42	-1.0	-53.61	366.16	4.86	-48.75
CCC1=NN(C)C=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300007713491	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	REAL300007713492	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-]	REAL300007713493	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	REAL300007713494	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	REAL300007713495	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-]	REAL300007713496	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-]	REAL300007713497	0	38	-1.0	-56.00	349.89	3.96	-52.04
COCCC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007713498	0	36	-1.0	-54.49	336.54	3.70	-50.79
CCCC1=CC=CC=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300007713499	0	41	-1.0	-55.81	338.93	4.51	-51.30
COCCC(NS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300007713500	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-]	REAL300007713501	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-]	REAL300007713502	0	37	-1.0	-50.90	326.42	2.67	-48.23
COCCC(NS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300007713503	0	35	-1.0	-40.55	307.98	2.71	-37.84
COCCC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007713504	0	39	-1.0	-54.86	339.94	1.75	-53.11
COCCC(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007713505	0	39	-1.0	-49.41	333.10	1.79	-47.62
COCCC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007713506	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-]	REAL300007713507	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-]	REAL300007713508	0	38	-1.0	-52.96	356.83	2.99	-49.97
COCCC(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007713509	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-]	REAL300007713510	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-]	REAL300007713511	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-]	REAL300007713512	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-]	REAL300007713513	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-]	REAL300007713514	0	38	-1.0	-46.57	340.48	2.73	-43.84
COCCC(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300007713515	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-]	REAL300007713516	0	41	-1.0	-42.46	335.51	2.13	-40.33
COCCC(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300007713517	0	33	-1.0	-50.33	303.95	0.85	-49.48
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007713518	0	35	-1.0	-55.83	328.58	3.50	-52.33
COCCC(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007713519	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-]	REAL300007713520	0	41	-1.0	-42.60	339.33	4.31	-38.29
COCCC(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300007713521	0	40	-1.0	-48.95	345.72	1.95	-47.00
COCCC(NS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007713522	0	35	-1.0	-53.47	319.07	2.36	-51.11
COCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007713523	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-]	REAL300007713524	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	REAL300007713525	0	44	-1.0	-47.24	378.12	2.79	-44.45
COCCC(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007713526	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-]	REAL300007713527	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-]	REAL300007713528	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-]	REAL300007713529	0	38	-1.0	-41.50	341.11	4.14	-37.36
COCCC(NS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300007713530	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-]	REAL300007713531	0	38	-1.0	-49.92	357.93	3.23	-46.69
COCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007713532	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-]	REAL300007713533	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-]	REAL300007713534	0	38	-1.0	-40.74	360.83	4.03	-36.71
COCCC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007713535	0	42	-1.0	-46.37	361.70	2.74	-43.63
COCCC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007713536	0	36	-1.0	-45.24	319.82	3.10	-42.14
COCCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007713537	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-]	REAL300007713538	0	41	-1.0	-71.85	352.85	3.44	-68.41
CCCC1=CC=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300007713539	0	41	-1.0	-53.96	353.33	4.28	-49.68
COCCC(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007713540	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-]	REAL300007713541	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-]	REAL300007713542	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-]	REAL300007713543	0	41	-1.0	-45.58	352.24	1.81	-43.77
COCCC(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007713544	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-]	REAL300007713545	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-]	REAL300007713546	0	35	-1.0	-39.54	335.12	3.19	-36.35
COCCC(NS(=O)(=O)C1=CC=CC(C)=C1C)C(=O)[O-]	REAL300007713547	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	REAL300007713548	0	43	-1.0	-48.43	374.20	4.20	-44.23
COCCC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007713549	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-]	REAL300007713550	0	38	-1.0	-51.93	352.40	3.11	-48.82
COCCC(NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007713551	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-]	REAL300007713552	0	32	-1.0	-40.84	303.08	2.34	-38.50
COCCC(NS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300007713553	0	39	-1.0	-53.54	338.13	4.18	-49.36
COCCC(NS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300007713554	0	33	-1.0	-41.75	296.24	1.09	-40.66
COCCC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007713555	0	42	-1.0	-49.50	354.54	2.72	-46.78
CCC(C)N1N=CC=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300007713556	0	41	-1.0	-51.23	340.12	1.51	-49.72
COCCC(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007713557	0	46	-1.0	-40.52	354.15	2.95	-37.57
COCCC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007713558	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-]	REAL300007713559	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-]	REAL300007713560	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-]	REAL300007713561	0	47	-1.0	-54.41	384.36	4.72	-49.69
COCCC(NS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300007713562	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-]	REAL300007713563	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-]	REAL300007713564	0	40	-1.0	-52.96	326.35	1.55	-51.41
COCCC(NS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300007713565	0	35	-1.0	-43.10	322.65	0.82	-42.28
CCOCC1=CC=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=C1	REAL300007713566	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-]	REAL300007713567	0	42	-1.0	-48.46	368.63	3.37	-45.09
COCCC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007713568	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-]	REAL300007713569	0	43	-1.0	-52.35	377.59	4.93	-47.42
COCCC(NS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300007713570	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-]	REAL300007713571	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-]	REAL300007713572	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-]	REAL300007713573	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-]	REAL300007713574	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-]	REAL300007713575	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-]	REAL300007713576	0	36	-1.0	-53.09	343.35	3.92	-49.17
COCCC(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007713577	0	37	-1.0	-42.89	331.74	-3.97	-46.86
COCCC(NS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300007713578	0	35	-1.0	-51.12	313.20	2.46	-48.66
COCCC(NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300007713579	0	38	-1.0	-56.25	319.72	2.37	-53.88
COCCC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007713580	0	34	-1.0	-53.20	320.07	1.44	-51.76
COCCC(NS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300007713581	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-]	REAL300007713582	0	41	-1.0	-59.43	361.69	1.68	-57.75
COCCC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007713583	0	49	-1.0	-41.61	362.21	4.93	-36.68
COCCC(NS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300007713584	0	42	-1.0	-60.91	349.62	1.21	-59.70
COCCC(NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300007713585	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-]	REAL300007713586	0	40	-1.0	-45.64	324.38	2.51	-43.13
COCCC(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007713587	0	40	-1.0	-53.76	355.87	-1.13	-54.89
COCCC(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007713588	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-]	REAL300007713589	0	42	-1.0	-56.09	359.57	4.34	-51.75
COCCC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007713590	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-]	REAL300007713591	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-]	REAL300007713592	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-]	REAL300007713593	0	45	-1.0	-41.98	355.88	4.07	-37.91
COCCC(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007713594	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-]	REAL300007713595	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-]	REAL300007713596	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-]	REAL300007713597	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-]	REAL300007713598	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-]	REAL300007713599	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-]	REAL300007713600	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-]	REAL300007713601	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-]	REAL300007713602	0	36	-1.0	-56.78	334.63	1.70	-55.08
COCCC(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007713603	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-]	REAL300007713604	0	39	-1.0	-50.78	343.69	3.89	-46.89
COCCC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007713605	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-]	REAL300007713606	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-]	REAL300007713607	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-]	REAL300007713608	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-]	REAL300007713609	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	REAL300007713610	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	REAL300007713611	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-]	REAL300007713612	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-]	REAL300007713613	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-]	REAL300007713614	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-]	REAL300007713615	0	31	-1.0	-49.43	316.58	0.06	-49.37
CCC1=CC(S(=O)(=O)NC(CCOC)C(=O)[O-])=CC=C1Br	REAL300007713616	0	38	-1.0	-50.96	348.19	3.92	-47.04
COCCC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007713617	0	45	-1.0	-49.60	376.42	3.30	-46.30
COCCC(NS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007713618	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	REAL300007713619	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-]	REAL300007713620	0	38	-1.0	-45.15	343.24	4.85	-40.30
COCCC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007713621	0	40	-1.0	-47.26	335.54	-0.26	-47.52
COCCC(NS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300007713622	0	39	-1.0	-43.80	330.69	4.28	-39.52
COCCC(NS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300007713623	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-]	REAL300007713624	0	47	-1.0	-53.22	391.06	2.44	-50.78
COCCC(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300007713625	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-]	REAL300007713626	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-]	REAL300007713627	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-]	REAL300007713628	0	41	-1.0	-47.46	353.72	1.83	-45.63
COCCC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007713629	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-]	REAL300007713630	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-]	REAL300007713631	0	43	-1.0	-48.31	362.37	2.53	-45.78
COCCC(NS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300007713632	0	38	-1.0	-49.54	330.07	1.32	-48.22
COCCC(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007713633	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-]	REAL300007713634	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-]	REAL300007713635	0	34	-1.0	-47.18	315.91	0.99	-46.19
COCCC(NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300007713636	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-]	REAL300007713637	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-]	REAL300007713638	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-]	REAL300007713639	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-]	REAL300007713640	0	37	-1.0	-47.42	320.06	1.65	-45.77
COCCC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007713641	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-]	REAL300007713642	0	40	-1.0	-47.05	339.31	-2.22	-49.27
COCCC(NS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300007713643	0	39	-1.0	-56.30	309.00	0.69	-55.61
COCCC(NS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300007713644	0	38	-1.0	-58.00	327.14	1.53	-56.47
COCCC(NS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300007713645	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-]	REAL300007713646	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-]	REAL300007713647	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-]	REAL300007713648	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-]	REAL300007713649	0	37	-1.0	-53.63	324.04	2.43	-51.20
CCOC1=CC=CN=C1S(=O)(=O)NC(CCOC)C(=O)[O-]	REAL300007713650	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-]	REAL300007713651	0	40	-1.0	-50.82	331.48	3.75	-47.07
COCCC(NS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007713652	0	36	-1.0	-48.22	308.18	1.54	-46.68
COCCC(NS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300007713653	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-]	REAL300007713654	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-]	REAL300007713655	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-]	REAL300007713656	0	45	-1.0	-45.77	365.93	4.25	-41.52
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC=C1	REAL300007713657	0	39	-1.0	-55.56	344.44	5.21	-50.35
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC(F)=C1	REAL300007713658	0	39	-1.0	-54.71	350.85	5.28	-49.43
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC(C(C)=O)=C1	REAL300007713659	0	44	-1.0	-59.80	384.94	5.60	-54.20
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N(C)C	REAL300007713660	0	37	-1.0	-54.82	321.58	2.40	-52.42
CCCCN(C)S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713661	0	46	-1.0	-54.68	385.98	4.87	-49.81
CCCCS(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713662	0	41	-1.0	-56.40	351.30	4.47	-51.93
CCCS(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713663	0	38	-1.0	-56.44	329.80	3.69	-52.75
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CS1	REAL300007713664	0	36	-1.0	-55.80	336.37	4.22	-51.58
CCC(C)C1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300007713665	0	51	-1.0	-54.97	423.13	7.81	-47.16
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(C)S1	REAL300007713666	0	39	-1.0	-55.85	358.25	5.01	-50.84
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(Cl)S1	REAL300007713667	0	36	-1.0	-54.98	353.41	4.83	-50.15
COC1=CC=C(C)C=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713668	0	46	-1.0	-55.43	386.37	5.71	-49.72
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N1CCOCC1	REAL300007713669	0	42	-1.0	-55.05	352.71	1.91	-53.14
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300007713670	0	42	-1.0	-55.13	375.87	6.62	-48.51
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN(C)N=C1	REAL300007713671	0	39	-1.0	-56.96	348.99	2.92	-54.04
CCN(CC)S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713672	0	43	-1.0	-54.45	357.66	3.95	-50.50
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N(C)C1CCCCC1	REAL300007713673	0	50	-1.0	-54.63	397.66	5.54	-49.09
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C(C)N(C)N=C1C	REAL300007713674	0	45	-1.0	-55.75	382.06	4.29	-51.46
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007713675	0	45	-1.0	-57.36	388.93	4.37	-52.99
CCC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300007713676	0	45	-1.0	-55.21	387.33	6.66	-48.55
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CNN=C1C	REAL300007713677	0	39	-1.0	-57.38	347.11	2.17	-55.21
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300007713678	0	44	-1.0	-64.82	377.97	7.34	-57.48
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007713679	0	45	-1.0	-57.00	406.44	7.23	-49.77
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC(C)=CC(F)=C1	REAL300007713680	0	42	-1.0	-56.71	372.26	5.95	-50.76
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CCC1CC1	REAL300007713681	0	42	-1.0	-56.60	361.41	5.25	-51.35
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007713682	0	45	-1.0	-56.85	390.13	5.73	-51.12
COCC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300007713683	0	46	-1.0	-56.52	399.51	4.95	-51.57
CCOC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300007713684	0	45	-1.0	-56.59	393.47	2.83	-53.76
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CCCS(C)(=O)=O	REAL300007713685	0	44	-1.0	-69.55	393.43	1.25	-68.30
COC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1C	REAL300007713686	0	49	-1.0	-56.66	404.81	6.04	-50.62
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007713687	0	44	-1.0	-59.89	385.43	5.60	-54.29
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1=NOC=C1	REAL300007713688	0	38	-1.0	-63.08	343.20	3.20	-59.88
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C(C)N(C)N=C1	REAL300007713689	0	42	-1.0	-60.70	366.78	3.37	-57.33
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N(C)C1CCOCC1	REAL300007713690	0	48	-1.0	-55.15	391.48	3.28	-51.87
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N1CC2CCC1C2	REAL300007713691	0	45	-1.0	-54.94	371.91	4.77	-50.17
CCN1N=C(C)C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)=C1C	REAL300007713692	0	48	-1.0	-55.45	403.87	5.16	-50.29
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN(C(C)C)N=C1	REAL300007713693	0	45	-1.0	-55.94	389.22	4.29	-51.65
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300007713694	0	48	-1.0	-61.65	408.98	6.18	-55.47
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN(C(C)C)C=N1	REAL300007713695	0	45	-1.0	-61.55	389.89	5.59	-55.96
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CNC(C(C)C)=N1	REAL300007713696	0	45	-1.0	-62.01	388.24	3.65	-58.36
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007713697	0	51	-1.0	-56.19	396.93	7.71	-48.48
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1CCCOC1	REAL300007713698	0	46	-1.0	-58.08	378.23	3.95	-54.13
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC(F)=C1C	REAL300007713699	0	42	-1.0	-54.99	364.33	6.14	-48.85
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007713700	0	42	-1.0	-56.19	378.61	6.15	-50.04
COCCC(C)S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713701	0	45	-1.0	-56.70	373.90	3.79	-52.91
COC1=CC=C(F)C=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713702	0	43	-1.0	-54.58	371.36	5.11	-49.47
CCC(C)CS(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713703	0	44	-1.0	-55.94	363.76	5.08	-50.86
CCN(CC1CC1)S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713704	0	47	-1.0	-54.57	386.59	5.30	-49.27
CCCN1C=NC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300007713705	0	45	-1.0	-61.78	391.77	5.96	-55.82
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CCOCC1CC1	REAL300007713706	0	46	-1.0	-56.82	395.49	4.52	-52.30
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC(C)COC1CCCC1	REAL300007713707	0	55	-1.0	-57.64	445.01	6.60	-51.04
COCC(C)CS(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713708	0	45	-1.0	-57.46	378.47	3.53	-53.93
CCOCC(C)CS(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713709	0	48	-1.0	-57.52	400.33	4.51	-53.01
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007713710	0	47	-1.0	-58.36	402.48	2.97	-55.39
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC=C1C(C)C	REAL300007713711	0	48	-1.0	-56.14	398.35	7.31	-48.83
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CCCN1CCOCC1	REAL300007713712	0	51	-1.0	-58.40	418.14	2.19	-56.21
CCOC1=CC=CC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300007713713	0	46	-1.0	-55.96	395.80	5.44	-50.52
COCCN1C=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=N1	REAL300007713714	0	46	-1.0	-56.67	404.20	2.82	-53.85
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CCC(C)(C)C	REAL300007713715	0	47	-1.0	-56.30	385.03	5.40	-50.90
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007713716	0	44	-1.0	-60.02	385.64	5.58	-54.44
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N1CCC(C)C1	REAL300007713717	0	44	-1.0	-54.46	369.03	4.14	-50.32
COCC1=CC=CC=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713718	0	46	-1.0	-56.02	391.00	5.33	-50.69
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007713719	0	42	-1.0	-59.87	383.51	4.07	-55.80
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC=C1SC	REAL300007713720	0	43	-1.0	-55.76	368.76	5.38	-50.38
CCC1=CC=CC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300007713721	0	45	-1.0	-55.29	387.34	6.65	-48.64
CCC1=CC=C(CS(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300007713722	0	48	-1.0	-58.06	411.10	7.37	-50.69
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CCC1=CC=CS1	REAL300007713723	0	42	-1.0	-57.38	379.94	5.81	-51.57
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1=CC=C(C)C(C)=C1	REAL300007713724	0	48	-1.0	-58.51	406.62	7.13	-51.38
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N(C)CC(C)C	REAL300007713725	0	46	-1.0	-54.41	384.27	4.81	-49.60
CCN(C)S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713726	0	40	-1.0	-54.73	342.98	3.33	-51.40
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N(C)C1CCCC1	REAL300007713727	0	47	-1.0	-54.42	382.94	5.05	-49.37
CCCN(C)S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713728	0	43	-1.0	-54.63	364.48	4.09	-50.54
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N1CCOC(C)(C)C1	REAL300007713729	0	48	-1.0	-54.48	390.63	3.40	-51.08
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1=CC(C)=NO1	REAL300007713730	0	41	-1.0	-60.80	365.13	4.08	-56.72
CCS(=O)(=O)NCCS(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713731	0	46	-1.0	-64.37	408.31	-0.04	-64.41
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CCC1CCCO1	REAL300007713732	0	46	-1.0	-58.21	386.21	4.02	-54.19
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300007713733	0	50	-1.0	-55.36	419.06	5.87	-49.49
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007713734	0	44	-1.0	-56.89	377.30	2.15	-54.74
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CCOCC1CCCC1	REAL300007713735	0	52	-1.0	-56.60	429.19	5.67	-50.93
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713736	0	51	-1.0	-55.04	418.27	5.69	-49.35
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC(C)OC	REAL300007713737	0	42	-1.0	-57.44	360.63	3.16	-54.28
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007713738	0	44	-1.0	-58.13	388.80	4.34	-53.79
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007713739	0	46	-1.0	-62.78	390.23	5.24	-57.54
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300007713740	0	46	-1.0	-56.53	393.60	5.45	-51.08
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1(C)CCCCC1	REAL300007713741	0	51	-1.0	-55.46	394.29	6.73	-48.73
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN=NN1C	REAL300007713742	0	38	-1.0	-56.22	337.86	1.68	-54.54
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1=CC=C(C)C=C1F	REAL300007713743	0	45	-1.0	-60.50	394.93	6.64	-53.86
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007713745	0	50	-1.0	-59.40	426.32	5.94	-53.46
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CCC1CCC1	REAL300007713746	0	45	-1.0	-56.50	378.03	5.78	-50.72
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CCCC(C)(C)C	REAL300007713747	0	50	-1.0	-56.38	406.53	6.16	-50.22
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007713748	0	42	-1.0	-57.54	380.62	5.67	-51.87
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CCC1=C(C)N=CS1	REAL300007713749	0	44	-1.0	-58.33	393.69	4.46	-53.87
COCC1(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)CC1	REAL300007713750	0	43	-1.0	-57.16	370.16	4.21	-52.95
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC12CCC(CC1)C2	REAL300007713751	0	49	-1.0	-56.30	392.99	6.62	-49.68
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1CC(F)(F)C1	REAL300007713752	0	42	-1.0	-58.92	369.78	5.16	-53.76
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC12CCC(CC1)CC2	REAL300007713753	0	52	-1.0	-55.81	401.86	7.24	-48.57
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COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1CCCCC1(F)F	REAL300007713755	0	48	-1.0	-56.32	397.48	6.36	-49.96
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COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=NN(C)C=C1	REAL300007713757	0	39	-1.0	-58.97	349.29	2.75	-56.22
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007713758	0	39	-1.0	-54.58	361.17	5.73	-48.85
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COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007713760	0	45	-1.0	-56.46	390.39	7.49	-48.97
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007713761	0	41	-1.0	-56.93	372.67	5.89	-51.04
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COC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300007713763	0	43	-1.0	-55.58	373.93	4.51	-51.07
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007713764	0	41	-1.0	-58.36	361.90	6.69	-51.67
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(C)C=C1	REAL300007713765	0	42	-1.0	-55.43	365.85	5.89	-49.54
CCOC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300007713766	0	46	-1.0	-55.34	395.78	5.44	-49.90
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300007713767	0	51	-1.0	-54.53	408.71	7.99	-46.54
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C(C)C=C(C)C=C1C	REAL300007713768	0	48	-1.0	-53.94	388.54	7.23	-46.71
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC(C)=C1	REAL300007713769	0	42	-1.0	-55.47	365.85	5.88	-49.59
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C=CC1=CC=CC=C1	REAL300007713770	0	43	-1.0	-56.63	376.36	6.39	-50.24
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007713771	0	39	-1.0	-54.36	361.18	5.73	-48.63
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(C(C)=O)C=C1	REAL300007713772	0	44	-1.0	-57.30	384.91	5.61	-51.69
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COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(C)C=C1C	REAL300007713775	0	45	-1.0	-56.17	380.56	6.78	-49.39
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007713776	0	51	-1.0	-55.00	420.65	7.54	-47.46
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(C(C)C)C=C1	REAL300007713777	0	48	-1.0	-55.02	404.67	7.14	-47.88
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COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007713784	0	49	-1.0	-55.27	407.16	7.70	-47.57
COC1=CC=C(OC)C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300007713785	0	47	-1.0	-56.28	394.43	4.32	-51.96
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COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC(F)=CC=C1C	REAL300007713799	0	42	-1.0	-57.71	365.55	6.18	-51.53
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COC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300007713811	0	43	-1.0	-55.99	380.16	4.59	-51.40
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(C)C(F)=C1	REAL300007713812	0	42	-1.0	-57.25	371.17	5.92	-51.33
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1=CC=C(C)C=C1	REAL300007713813	0	45	-1.0	-58.28	389.61	6.60	-51.68
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN(C)C=N1	REAL300007713814	0	39	-1.0	-62.77	348.46	4.30	-58.47
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CN=C1	REAL300007713815	0	38	-1.0	-55.68	339.42	3.43	-52.25
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N1CCCCC1C	REAL300007713816	0	47	-1.0	-54.37	374.86	5.29	-49.08
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N(C)C(C)C	REAL300007713817	0	43	-1.0	-54.50	356.03	3.67	-50.83
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COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300007713819	0	44	-1.0	-57.46	387.37	6.77	-50.69
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COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300007713821	0	51	-1.0	-55.02	425.59	7.90	-47.12
COCCC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300007713822	0	49	-1.0	-56.07	421.01	5.73	-50.34
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COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300007713824	0	42	-1.0	-56.94	375.87	6.63	-50.31
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300007713825	0	49	-1.0	-55.75	418.02	6.10	-49.65
CCCOC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300007713826	0	49	-1.0	-55.07	417.28	6.24	-48.83
COC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1Cl	REAL300007713827	0	43	-1.0	-55.29	389.96	5.07	-50.22
COC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1C	REAL300007713828	0	46	-1.0	-55.63	394.01	5.26	-50.37
COC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300007713829	0	46	-1.0	-56.33	388.61	5.41	-50.92
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1=CC=CC=C1F	REAL300007713830	0	42	-1.0	-58.39	373.51	5.96	-52.43
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C(C)N=C(C)S1	REAL300007713831	0	41	-1.0	-55.24	369.66	3.78	-51.46
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007713832	0	42	-1.0	-54.60	370.48	6.10	-48.50
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1CCCC1	REAL300007713833	0	45	-1.0	-56.12	371.42	5.63	-50.49
COC1=CC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)=CC=C1F	REAL300007713834	0	43	-1.0	-56.30	380.16	4.59	-51.71
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CSC=C1	REAL300007713835	0	36	-1.0	-55.02	335.54	4.11	-50.91
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1CCCCC1	REAL300007713836	0	48	-1.0	-56.14	387.16	6.34	-49.80
CNC(=O)C1=CC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)=CN1C	REAL300007713837	0	47	-1.0	-60.09	408.32	2.86	-57.23
COC1=CC(C)=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300007713838	0	49	-1.0	-55.15	396.55	5.85	-49.30
COC1=CC(C)=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C=C1C	REAL300007713839	0	49	-1.0	-57.21	408.68	6.14	-51.07
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007713840	0	44	-1.0	-58.00	380.76	5.77	-52.23
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CCC(=O)C1=CC=CC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300007713842	0	47	-1.0	-59.84	407.53	6.48	-53.36
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N(C)C1CC1	REAL300007713843	0	41	-1.0	-54.54	349.78	3.85	-50.69
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COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1=CC=CC(F)=C1	REAL300007713846	0	42	-1.0	-59.87	374.62	6.00	-53.87
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CC1=CC=CC=C1C	REAL300007713847	0	45	-1.0	-57.94	384.00	6.51	-51.43
CCOC1=CC=C(C)C=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713848	0	49	-1.0	-54.92	408.22	6.63	-48.29
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COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007713850	0	49	-1.0	-56.18	400.11	7.90	-48.28
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007713851	0	44	-1.0	-55.81	380.41	4.51	-51.30
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007713852	0	45	-1.0	-66.10	388.40	1.67	-64.43
CCOC1=CC=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C(C)=C1	REAL300007713853	0	49	-1.0	-56.15	410.50	6.34	-49.81
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=C(SC)C=C1	REAL300007713854	0	43	-1.0	-55.12	384.63	6.24	-48.88
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COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300007713959	0	45	-1.0	-52.90	383.84	7.08	-45.82
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)CCCC1CC1	REAL300007713960	0	45	-1.0	-56.66	382.91	6.04	-50.62
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007713961	0	43	-1.0	-56.47	390.59	6.82	-49.65
CCCC1=CC=CC=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713962	0	48	-1.0	-56.01	397.40	7.75	-48.26
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CN=C1OC	REAL300007713963	0	42	-1.0	-57.00	362.77	2.42	-54.58
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007713964	0	44	-1.0	-57.93	380.61	5.76	-52.17
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN=C(C)N1C	REAL300007713965	0	42	-1.0	-55.70	363.62	4.26	-51.44
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC=N1	REAL300007713966	0	38	-1.0	-57.21	340.28	3.32	-53.89
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C(C)SC=C1C	REAL300007713967	0	42	-1.0	-52.97	367.36	5.91	-47.06
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007713968	0	46	-1.0	-58.70	394.34	4.90	-53.80
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007713969	0	46	-1.0	-54.63	391.73	5.11	-49.52
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007713970	0	49	-1.0	-56.92	407.82	5.50	-51.42
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN=C2CCCCN12	REAL300007713971	0	46	-1.0	-55.26	385.40	5.17	-50.09
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300007713972	0	47	-1.0	-56.64	395.23	5.84	-50.80
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007713973	0	47	-1.0	-54.72	413.11	4.88	-49.84
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C2N=CC=CN2N=C1C	REAL300007713974	0	44	-1.0	-62.18	386.19	4.79	-57.39
CCN1N=NC=C1S(=O)(=O)NCCC1=CC=C(C(=O)[O-])C=C1OC	REAL300007713975	0	41	-1.0	-58.21	360.36	2.46	-55.75
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007713976	0	48	-1.0	-54.32	388.09	5.10	-49.22
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007713977	0	40	-1.0	-57.25	359.32	4.00	-53.25
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007713978	0	42	-1.0	-57.83	383.30	6.64	-51.19
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007713979	0	46	-1.0	-56.17	396.38	4.93	-51.24
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C	REAL300007713980	0	48	-1.0	-55.70	392.57	7.24	-48.46
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC(OC)=C1OC	REAL300007713981	0	47	-1.0	-56.24	401.81	5.03	-51.21
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=COC2=CC=CC=C12	REAL300007713982	0	42	-1.0	-56.53	367.46	5.18	-51.35
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C(C)N(C(C)C)N=C1C	REAL300007713983	0	51	-1.0	-55.18	423.62	5.82	-49.36
CCCCN1C=C(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)C(C)=N1	REAL300007713984	0	51	-1.0	-57.35	434.63	5.89	-51.46
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007713985	0	46	-1.0	-57.92	388.09	4.58	-53.34
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007713986	0	44	-1.0	-66.54	382.80	3.62	-62.92
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N1CCCC(C)(C)C1	REAL300007713987	0	50	-1.0	-54.41	398.94	5.60	-48.81
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007713988	0	49	-1.0	-57.62	401.90	5.00	-52.62
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007713989	0	49	-1.0	-56.12	418.41	5.85	-50.27
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007713990	0	43	-1.0	-55.97	381.19	6.41	-49.56
CCCC1=CC=CC(S(=O)(=O)NCCC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300007713991	0	48	-1.0	-55.18	408.84	7.42	-47.76
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C2CCCC2=NN1C	REAL300007713992	0	46	-1.0	-56.13	390.13	4.73	-51.40
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N1C[C@@H]2CC[C@@H]2C1	REAL300007713993	0	45	-1.0	-54.46	372.59	4.61	-49.85
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=C(C)C=CC=C1C	REAL300007713994	0	45	-1.0	-54.15	371.14	6.72	-47.43
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007713995	0	48	-1.0	-55.06	386.63	4.78	-50.28
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007713996	0	48	-1.0	-55.86	408.94	4.92	-50.94
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007713997	0	46	-1.0	-56.80	378.72	3.68	-53.12
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC(C)=NN1C	REAL300007713998	0	42	-1.0	-56.25	366.62	3.43	-52.82
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)C1=CC=CC(C)=C1C	REAL300007713999	0	45	-1.0	-56.20	376.69	6.65	-49.55
COC1=CC(C(=O)[O-])=CC=C1CCNS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007714000	0	45	-1.0	-55.38	386.89	5.65	-49.73
COC1=CC=C(F)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715255	0	35	-1.0	-50.61	298.38	3.12	-47.49
CC1=C(Br)C=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007715256	0	36	-1.0	-48.47	327.11	4.99	-43.48
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715257	0	42	-1.0	-50.19	356.42	3.41	-46.78
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C	REAL300007715258	0	42	-1.0	-51.74	355.49	0.26	-51.48
CC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(C)C(=O)[O-]	REAL300007715259	0	49	-1.0	-43.16	350.61	4.94	-38.22
CC1=NC2=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=CC=C2C=C1	REAL300007715260	0	39	-1.0	-54.34	325.31	4.51	-49.83
CC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(C)C(=O)[O-]	REAL300007715261	0	39	-1.0	-56.60	328.99	5.21	-51.39
CC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(C)C(=O)[O-]	REAL300007715262	0	42	-1.0	-48.12	347.35	1.96	-46.16
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715263	0	45	-1.0	-48.98	388.40	4.42	-44.56
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715264	0	45	-1.0	-49.79	382.83	4.57	-45.22
COCCOCCOCCS(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715265	0	45	-1.0	-59.58	373.20	0.70	-58.88
CC(COC1CCCC1)CS(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715266	0	47	-1.0	-61.07	370.57	4.73	-56.34
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(C)C(=O)[O-]	REAL300007715267	0	46	-1.0	-50.86	385.81	4.65	-46.21
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715268	0	38	-1.0	-46.59	330.55	3.48	-43.11
CC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(C)C(=O)[O-]	REAL300007715269	0	39	-1.0	-55.12	328.48	1.07	-54.05
COC1=CC(Br)=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715270	0	35	-1.0	-54.43	321.22	3.28	-51.15
CC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(C)C(=O)[O-]	REAL300007715271	0	35	-1.0	-49.25	308.13	3.40	-45.85
COC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007715272	0	37	-1.0	-46.88	320.09	4.04	-42.84
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715273	0	37	-1.0	-45.32	322.11	5.13	-40.19
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715274	0	37	-1.0	-47.04	320.27	5.16	-41.88
CC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007715275	0	37	-1.0	-43.53	318.06	4.80	-38.73
CC(NS(=O)(=O)CCCN1CCOCC1)C(C)C(=O)[O-]	REAL300007715276	0	43	-1.0	-45.84	336.80	0.28	-45.56
CCOC1=CC=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715277	0	38	-1.0	-46.24	315.88	3.52	-42.72
COCCN1C=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=N1	REAL300007715278	0	38	-1.0	-46.60	332.76	1.11	-45.49
CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(C)C(=O)[O-]	REAL300007715279	0	38	-1.0	-51.49	331.71	3.87	-47.62
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1C	REAL300007715280	0	58	-1.0	-55.92	457.98	7.87	-48.05
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1F	REAL300007715281	0	45	-1.0	-46.12	375.64	1.23	-44.89
CC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(C)C(=O)[O-]	REAL300007715282	0	39	-1.0	-49.55	342.37	5.59	-43.96
CC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(C)C(=O)[O-]	REAL300007715283	0	36	-1.0	-50.24	308.55	3.65	-46.59
CC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(C)C(=O)[O-]	REAL300007715284	0	34	-1.0	-47.07	313.95	4.75	-42.32
CC(NS(=O)(=O)CC1=CC=CC=C1Br)C(C)C(=O)[O-]	REAL300007715285	0	34	-1.0	-59.88	310.31	4.63	-55.25
CC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(C)C(=O)[O-]	REAL300007715286	0	38	-1.0	-55.43	334.02	1.27	-54.16
CC1=CC(Br)=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715287	0	34	-1.0	-47.66	305.04	4.46	-43.20
CC1=C(Br)C=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715288	0	34	-1.0	-44.73	300.71	4.76	-39.97
COCC1=CC=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715289	0	38	-1.0	-47.52	310.63	3.37	-44.15
COC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC=C1Br	REAL300007715290	0	35	-1.0	-44.27	313.54	3.26	-41.01
COC1=CC(OC)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1Cl	REAL300007715291	0	39	-1.0	-50.31	336.61	2.93	-47.38
CC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(C)C(=O)[O-]	REAL300007715292	0	34	-1.0	-49.59	316.96	2.56	-47.03
CC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(C)C(=O)[O-]	REAL300007715293	0	34	-1.0	-53.20	311.03	2.40	-50.80
CC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(C)C(=O)[O-]	REAL300007715294	0	42	-1.0	-55.97	347.88	4.61	-51.36
CC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(C)C(=O)[O-]	REAL300007715295	0	34	-1.0	-48.39	311.66	2.54	-45.85
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715296	0	42	-1.0	-52.05	329.31	0.93	-51.12
CC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1I	REAL300007715297	0	34	-1.0	-46.65	309.92	4.92	-41.73
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715298	0	43	-1.0	-58.46	369.01	2.61	-55.85
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715299	0	48	-1.0	-49.33	400.40	3.01	-46.32
CSC1=CC=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715300	0	35	-1.0	-48.09	301.63	4.39	-43.70
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715301	0	48	-1.0	-56.13	410.28	1.84	-54.29
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(C)C(=O)[O-]	REAL300007715302	0	39	-1.0	-46.89	342.58	0.07	-46.82
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])S1	REAL300007715303	0	45	-1.0	-62.72	400.48	1.04	-61.68
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(OC)=C1	REAL300007715304	0	46	-1.0	-52.30	395.18	1.01	-51.29
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(F)=C1	REAL300007715305	0	45	-1.0	-51.27	395.13	1.78	-49.49
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715306	0	45	-1.0	-49.95	386.51	1.12	-48.83
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(C)C(=O)[O-]	REAL300007715307	0	42	-1.0	-56.41	342.02	3.17	-53.24
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1F	REAL300007715308	0	45	-1.0	-46.21	385.55	1.74	-44.47
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(C)C(=O)[O-]	REAL300007715309	0	46	-1.0	-58.56	368.48	4.16	-54.40
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1F	REAL300007715310	0	42	-1.0	-46.12	364.05	0.96	-45.16
CC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(C)C(=O)[O-]	REAL300007715311	0	46	-1.0	-51.08	378.33	3.73	-47.35
CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(C)C(=O)[O-]	REAL300007715312	0	43	-1.0	-49.07	357.29	2.89	-46.18
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715313	0	40	-1.0	-52.10	345.80	1.71	-50.39
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715314	0	41	-1.0	-55.28	351.73	0.57	-54.71
CCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1Br	REAL300007715315	0	38	-1.0	-44.44	336.33	4.19	-40.25
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007715316	0	45	-1.0	-49.36	371.79	6.35	-43.01
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(C)C(=O)[O-]	REAL300007715317	0	35	-1.0	-48.83	318.46	3.84	-44.99
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(C)C(=O)[O-]	REAL300007715318	0	37	-1.0	-54.28	345.77	1.52	-52.76
COC1=CC=C(Br)C(CS(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715319	0	38	-1.0	-48.05	338.83	4.00	-44.05
CC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(C)C(=O)[O-]	REAL300007715320	0	45	-1.0	-54.85	383.58	5.34	-49.51
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715321	0	38	-1.0	-57.48	320.72	4.42	-53.06
CC(C)N1N=CC2=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC=C21	REAL300007715322	0	43	-1.0	-56.77	361.30	4.92	-51.85
CCS(=O)(=O)NCCS(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715323	0	38	-1.0	-63.51	328.57	-1.87	-65.38
CC1=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007715324	0	37	-1.0	-48.24	318.57	4.61	-43.63
CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(C)C(=O)[O-]	REAL300007715325	0	34	-1.0	-45.50	325.57	5.37	-40.13
CC1=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007715326	0	37	-1.0	-47.63	332.36	6.22	-41.41
CC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(C)C(=O)[O-]	REAL300007715327	0	34	-1.0	-54.25	320.28	5.33	-48.92
CC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(C)C(=O)[O-]	REAL300007715328	0	37	-1.0	-59.39	323.30	6.27	-53.12
CC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(C)C(=O)[O-]	REAL300007715329	0	37	-1.0	-47.22	328.39	5.12	-42.10
CC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(C)C(=O)[O-]	REAL300007715330	0	42	-1.0	-59.45	345.78	4.72	-54.73
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(C)C(=O)[O-]	REAL300007715331	0	45	-1.0	-49.57	378.81	6.65	-42.92
CC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(C)C(=O)[O-]	REAL300007715332	0	44	-1.0	-59.48	372.74	4.96	-54.52
CC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300007715333	0	42	-1.0	-52.29	366.61	0.39	-51.90
CC1=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007715334	0	40	-1.0	-47.85	335.63	6.32	-41.53
CC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1N(C)C	REAL300007715335	0	42	-1.0	-44.75	338.19	3.94	-40.81
CC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(C)C(=O)[O-]	REAL300007715336	0	37	-1.0	-58.64	326.02	5.34	-53.30
CC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(C)C(=O)[O-]	REAL300007715337	0	36	-1.0	-46.91	303.58	0.56	-46.35
CC(NS(=O)(=O)CCOCC1CCCC1)C(C)C(=O)[O-]	REAL300007715338	0	44	-1.0	-55.87	349.37	3.84	-52.03
COC1=CC(C)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1Cl	REAL300007715339	0	38	-1.0	-56.33	327.75	4.10	-52.23
CC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(C)C(=O)[O-]	REAL300007715340	0	40	-1.0	-56.95	353.34	1.65	-55.30
CSC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1Cl	REAL300007715341	0	35	-1.0	-44.39	319.77	4.76	-39.63
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715342	0	43	-1.0	-46.12	334.68	3.57	-42.55
CC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(C)C(=O)[O-]	REAL300007715343	0	39	-1.0	-51.63	343.46	2.02	-49.61
CCC1=NOC2=NC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C12	REAL300007715344	0	38	-1.0	-46.87	333.55	1.20	-45.67
CC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(C)C(=O)[O-]	REAL300007715345	0	42	-1.0	-47.05	365.90	3.23	-43.82
CC(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(C)C(=O)[O-]	REAL300007715346	0	36	-1.0	-54.56	314.74	2.49	-52.07
CC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(C)C(=O)[O-]	REAL300007715347	0	37	-1.0	-45.55	330.75	6.17	-39.38
CCC1=CC(CC)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(CC)=C1	REAL300007715348	0	49	-1.0	-45.55	365.90	7.95	-37.60
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715349	1	46	-1.0	-54.27	386.59	0.53	-53.74
CC(NS(=O)(=O)C1=CN2CCCCC2=N1)C(C)C(=O)[O-]	REAL300007715350	0	38	-1.0	-53.56	312.66	3.79	-49.77
CC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(C)C(=O)[O-]	REAL300007715351	0	37	-1.0	-45.82	330.94	1.26	-44.56
CC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(C)C(=O)[O-]	REAL300007715352	0	40	-1.0	-53.22	333.00	7.14	-46.08
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(C)=C1F	REAL300007715353	0	38	-1.0	-46.14	315.77	3.59	-42.55
CC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(C)C(=O)[O-]	REAL300007715354	0	40	-1.0	-48.38	333.61	4.90	-43.48
CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(C)C(=O)[O-]	REAL300007715356	0	39	-1.0	-48.99	341.81	4.74	-44.25
COCC1=CC(Cl)=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715357	0	38	-1.0	-55.79	342.24	3.59	-52.20
CC1=CC=C(CS(=O)(=O)NC(C)C(C)C(=O)[O-])C(F)=C1	REAL300007715358	0	37	-1.0	-61.67	320.24	4.78	-56.89
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(C)C(=O)[O-]	REAL300007715360	0	31	-1.0	-52.28	297.70	3.61	-48.67
CC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300007715361	0	44	-1.0	-59.52	353.32	6.68	-52.84
CC(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(C)C(=O)[O-]	REAL300007715362	0	42	-1.0	-60.17	346.50	4.11	-56.06
CC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(C)C(=O)[O-]	REAL300007715363	0	40	-1.0	-68.63	325.77	0.56	-68.07
CC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(C)C(=O)[O-]	REAL300007715364	0	34	-1.0	-47.63	301.00	3.79	-43.84
CC1=C(CCS(=O)(=O)NC(C)C(C)C(=O)[O-])SC=N1	REAL300007715365	0	36	-1.0	-47.09	312.86	2.53	-44.56
COC1=CC=C2C=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])CCC2=C1	REAL300007715366	0	43	-1.0	-47.70	357.42	5.23	-42.47
CC(NS(=O)(=O)CC12CCC(CC1)CC2)C(C)C(=O)[O-]	REAL300007715367	0	44	-1.0	-61.17	326.99	5.36	-55.81
CC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(C)C(=O)[O-]	REAL300007715368	0	42	-1.0	-60.41	339.85	0.43	-59.98
CC(NS(=O)(=O)CC1CCCCC1(F)F)C(C)C(=O)[O-]	REAL300007715369	0	40	-1.0	-48.15	315.13	4.36	-43.79
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C12	REAL300007715370	0	46	-1.0	-52.69	392.77	6.65	-46.04
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C12	REAL300007715371	0	50	-1.0	-48.47	413.78	4.26	-44.21
CCC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007715372	0	39	-1.0	-52.40	326.04	5.12	-47.28
CC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(C)C(=O)[O-]	REAL300007715373	0	31	-1.0	-51.91	286.59	4.02	-47.89
CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(C)C(=O)[O-]	REAL300007715374	0	33	-1.0	-44.86	295.59	4.00	-40.86
CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(C)C(=O)[O-]	REAL300007715375	0	37	-1.0	-48.05	310.42	5.58	-42.47
CC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(C)C(=O)[O-]	REAL300007715376	0	33	-1.0	-44.87	292.80	3.96	-40.91
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715377	0	36	-1.0	-49.73	307.92	4.91	-44.82
CC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(C)C(=O)[O-]	REAL300007715378	0	33	-1.0	-51.56	280.23	4.63	-46.93
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715379	0	38	-1.0	-47.35	337.79	4.65	-42.70
CCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715380	0	38	-1.0	-54.24	316.66	3.62	-50.62
CC1=CC(C)=C(C)C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1C	REAL300007715381	0	43	-1.0	-45.64	325.29	5.90	-39.74
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715382	0	46	-1.0	-47.13	356.85	6.57	-40.56
CC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(C)C(=O)[O-]	REAL300007715383	0	34	-1.0	-43.36	302.65	4.31	-39.05
CC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(C)C(=O)[O-]	REAL300007715384	0	34	-1.0	-47.92	287.33	4.73	-43.19
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007715385	0	37	-1.0	-55.24	320.08	4.03	-51.21
CC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(C)C(=O)[O-]	REAL300007715386	0	43	-1.0	-54.69	341.56	5.72	-48.97
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715387	0	48	-1.0	-56.01	402.09	3.11	-52.90
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(C)C(=O)[O-]	REAL300007715388	0	42	-1.0	-56.62	360.81	1.39	-55.23
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1Br	REAL300007715389	0	35	-1.0	-44.71	314.47	3.26	-41.45
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(C)C(=O)[O-]	REAL300007715390	0	37	-1.0	-51.11	348.24	5.38	-45.73
CC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC=C1Br	REAL300007715391	0	34	-1.0	-44.27	304.04	4.48	-39.79
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C2)=C1	REAL300007715392	0	45	-1.0	-47.34	374.65	6.81	-40.53
CC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(C)C(=O)[O-]	REAL300007715393	0	35	-1.0	-44.67	313.30	3.12	-41.55
CC1=C(C)C(C)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(C)=C1C	REAL300007715394	0	46	-1.0	-55.12	339.94	6.48	-48.64
CC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(C)C(=O)[O-]	REAL300007715395	0	40	-1.0	-45.47	326.43	3.24	-42.23
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715396	0	47	-1.0	-50.84	368.16	5.40	-45.44
CC(NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(C)C(=O)[O-]	REAL300007715397	0	38	-1.0	-57.47	346.02	5.77	-51.70
CC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007715398	0	36	-1.0	-52.38	307.84	4.48	-47.90
COC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715399	0	35	-1.0	-49.87	313.27	3.68	-46.19
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715400	0	49	-1.0	-45.24	366.80	7.16	-38.08
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(C)C(=O)[O-]	REAL300007715401	0	34	-1.0	-51.56	304.04	4.40	-47.16
CC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(C)C(=O)[O-]	REAL300007715402	0	41	-1.0	-55.67	328.03	5.89	-49.78
COC1=CC=C(OC)C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715403	0	39	-1.0	-52.87	321.45	2.34	-50.53
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1OC	REAL300007715404	0	39	-1.0	-46.69	322.35	2.49	-44.20
CC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(C)C(=O)[O-]	REAL300007715405	0	39	-1.0	-46.21	325.07	5.85	-40.36
CC(C)CCC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715406	0	46	-1.0	-54.93	368.80	6.90	-48.03
CCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1OCC	REAL300007715407	0	45	-1.0	-46.43	366.06	4.34	-42.09
CC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(C)C(=O)[O-]	REAL300007715408	0	36	-1.0	-58.12	319.58	-1.65	-59.77
CC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007715409	0	39	-1.0	-55.50	334.64	5.19	-50.31
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1C	REAL300007715410	0	39	-1.0	-52.96	323.54	5.34	-47.62
CC1=CC2=CC=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C2N=C1	REAL300007715411	0	39	-1.0	-63.70	314.04	5.17	-58.53
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007715412	0	37	-1.0	-47.48	312.90	4.15	-43.33
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715413	0	35	-1.0	-46.55	317.06	3.89	-42.66
CC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(C)C(=O)[O-]	REAL300007715414	0	36	-1.0	-50.81	318.82	-1.75	-52.56
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(C)C(=O)[O-]	REAL300007715415	0	43	-1.0	-59.12	374.40	1.25	-57.87
CC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(C)C(=O)[O-]	REAL300007715416	0	39	-1.0	-47.48	337.85	5.01	-42.47
CC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(C)C(=O)[O-]	REAL300007715417	0	40	-1.0	-45.02	316.82	4.46	-40.56
CC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=CC=CN=C12	REAL300007715418	0	39	-1.0	-49.35	322.11	4.65	-44.70
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C	REAL300007715419	0	39	-1.0	-60.43	322.72	6.12	-54.31
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(C)C(=O)[O-]	REAL300007715420	0	42	-1.0	-49.95	360.15	1.29	-48.66
CC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(C)C(=O)[O-]	REAL300007715421	0	43	-1.0	-60.19	351.33	2.67	-57.52
CC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(C)C(=O)[O-]	REAL300007715422	0	37	-1.0	-53.09	324.30	0.81	-52.28
CC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300007715423	0	41	-1.0	-49.20	334.26	7.28	-41.92
CC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(C)C(=O)[O-]	REAL300007715424	0	37	-1.0	-49.16	306.96	5.71	-43.45
CC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(C)C(=O)[O-]	REAL300007715425	0	41	-1.0	-55.54	339.50	6.81	-48.73
CC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(C)C(=O)[O-]	REAL300007715426	0	45	-1.0	-47.47	362.84	5.57	-41.90
CC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(C)C(=O)[O-]	REAL300007715427	0	32	-1.0	-48.86	297.46	1.89	-46.97
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715428	0	35	-1.0	-49.97	308.70	3.58	-46.39
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715429	0	46	-1.0	-45.85	357.83	6.12	-39.73
CC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1Cl	REAL300007715430	0	34	-1.0	-47.02	300.04	4.40	-42.62
CC(C)OC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715431	0	41	-1.0	-45.53	336.62	4.17	-41.36
CC(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(C)C(=O)[O-]	REAL300007715432	0	34	-1.0	-47.09	309.38	4.64	-42.45
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(C)C(=O)[O-]	REAL300007715433	0	36	-1.0	-44.59	322.19	5.85	-38.74
CC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(C)C(=O)[O-]	REAL300007715434	0	36	-1.0	-64.11	292.77	4.52	-59.59
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(C)C(=O)[O-]	REAL300007715435	0	42	-1.0	-53.81	369.70	6.74	-47.07
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715436	0	37	-1.0	-45.30	325.76	3.97	-41.33
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1F	REAL300007715437	0	35	-1.0	-44.79	299.34	2.66	-42.13
CC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(C)C(=O)[O-]	REAL300007715438	0	42	-1.0	-45.59	372.78	6.69	-38.90
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300007715439	0	46	-1.0	-46.72	385.58	5.47	-41.25
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(C(C)C)=C1	REAL300007715440	0	58	-1.0	-44.29	429.24	9.42	-34.87
CC(C)OC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300007715441	0	47	-1.0	-56.66	375.86	6.69	-49.97
CC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(C)C(=O)[O-]	REAL300007715442	0	34	-1.0	-46.11	319.75	5.00	-41.11
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300007715443	0	41	-1.0	-48.98	340.80	5.17	-43.81
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007715444	0	47	-1.0	-61.21	385.08	1.06	-60.15
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715445	0	36	-1.0	-46.29	312.32	4.96	-41.33
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715446	0	36	-1.0	-45.53	304.56	4.76	-40.77
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715447	0	39	-1.0	-49.92	326.01	5.81	-44.11
CC(C)CC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715448	0	43	-1.0	-55.04	346.52	6.08	-48.96
COCCC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715449	0	41	-1.0	-46.48	343.96	3.84	-42.64
COCCN(CCOC)S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715450	0	43	-1.0	-44.17	336.49	0.47	-43.70
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715451	0	34	-1.0	-45.77	296.43	4.76	-41.01
COC1=C(C)C=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C	REAL300007715452	0	41	-1.0	-47.51	335.94	4.06	-43.45
CC(C)CCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715453	0	47	-1.0	-54.03	377.21	5.72	-48.31
CC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(C)C(=O)[O-]	REAL300007715454	0	45	-1.0	-54.22	360.27	5.64	-48.58
CC(C)COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715455	0	44	-1.0	-54.24	358.24	5.11	-49.13
CCCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715456	0	41	-1.0	-54.26	338.14	4.42	-49.84
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1Cl	REAL300007715457	0	35	-1.0	-44.77	310.09	3.15	-41.62
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(C)C(=O)[O-]	REAL300007715458	0	35	-1.0	-46.26	318.90	3.42	-42.84
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C	REAL300007715459	0	38	-1.0	-46.09	314.13	3.33	-42.76
CC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC=C1OC(C)C	REAL300007715460	0	44	-1.0	-45.82	353.94	4.89	-40.93
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(C)=C1	REAL300007715461	0	38	-1.0	-46.24	310.61	3.52	-42.72
COCCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715462	0	42	-1.0	-49.14	352.32	2.82	-46.32
CC1=CC(Br)=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715463	0	34	-1.0	-44.12	302.49	4.83	-39.29
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1C	REAL300007715464	0	39	-1.0	-47.76	314.48	6.10	-41.66
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715465	0	40	-1.0	-57.49	340.40	1.76	-55.73
CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(C)C(=O)[O-]	REAL300007715466	0	43	-1.0	-56.51	374.31	1.24	-55.27
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715467	0	39	-1.0	-57.02	341.92	-0.44	-57.46
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715468	0	39	-1.0	-49.60	323.38	1.61	-47.99
CC(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(C)C(=O)[O-]	REAL300007715469	0	34	-1.0	-46.68	308.10	4.82	-41.86
COC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC=C1F	REAL300007715470	0	35	-1.0	-45.21	300.28	2.66	-42.55
CC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(C)C(=O)[O-]	REAL300007715471	0	41	-1.0	-58.17	339.58	6.81	-51.36
CC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(C)C(=O)[O-]	REAL300007715472	0	34	-1.0	-59.03	327.05	5.09	-53.94
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])S2)=CS1	REAL300007715473	0	37	-1.0	-47.53	343.77	3.87	-43.66
CC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(C)C(=O)[O-]	REAL300007715474	0	51	-1.0	-53.73	399.90	7.01	-46.72
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715475	0	39	-1.0	-53.67	311.75	5.00	-48.67
CNC(=O)C1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CN1C	REAL300007715476	0	39	-1.0	-49.45	329.31	0.98	-48.47
COC1=CC(C)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(C)=C1	REAL300007715477	0	41	-1.0	-46.35	320.03	4.14	-42.21
CC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(C)C(=O)[O-]	REAL300007715478	0	42	-1.0	-56.96	354.63	7.47	-49.49
COC1=CC(C)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C	REAL300007715479	0	41	-1.0	-47.66	332.19	4.26	-43.40
CC1=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007715480	0	39	-1.0	-55.32	309.84	4.51	-50.81
CC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(C)C(=O)[O-]	REAL300007715481	0	36	-1.0	-49.34	302.28	3.92	-45.42
CC(NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(C)C(=O)[O-]	REAL300007715482	0	44	-1.0	-60.20	370.23	7.20	-53.00
CCN1C=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007715483	0	36	-1.0	-50.52	320.74	4.31	-46.21
CC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(C)C(=O)[O-]	REAL300007715484	0	38	-1.0	-46.21	338.30	4.02	-42.19
CC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(C)C(=O)[O-]	REAL300007715485	0	45	-1.0	-55.24	376.57	6.67	-48.57
CCC(=O)C1=CC=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715486	0	39	-1.0	-49.53	326.67	4.56	-44.97
CC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(C)C(=O)[O-]	REAL300007715487	0	41	-1.0	-47.53	358.98	5.06	-42.47
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715488	0	53	-1.0	-46.02	399.50	6.20	-39.82
CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(C)C(=O)[O-]	REAL300007715489	0	39	-1.0	-51.02	344.44	-0.05	-51.07
CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(C)C(=O)[O-]	REAL300007715490	0	46	-1.0	-56.07	389.30	2.46	-53.61
CCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300007715491	0	44	-1.0	-48.37	359.58	6.00	-42.37
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715492	0	41	-1.0	-48.63	338.35	4.78	-43.85
CC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(C)C(=O)[O-]	REAL300007715493	0	36	-1.0	-52.08	312.82	3.48	-48.60
CC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(C)C(=O)[O-]	REAL300007715494	0	38	-1.0	-56.60	331.05	4.44	-52.16
CCOCCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715495	0	45	-1.0	-49.25	374.17	3.79	-45.46
CCCCCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715496	0	47	-1.0	-54.11	381.13	5.98	-48.13
CC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(C)C(=O)[O-]	REAL300007715497	0	41	-1.0	-57.45	326.39	6.02	-51.43
CC(NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(C)C(=O)[O-]	REAL300007715498	0	37	-1.0	-48.88	309.94	5.01	-43.87
CC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(C)C(=O)[O-]	REAL300007715499	0	35	-1.0	-45.38	323.70	4.79	-40.59
CC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(C)C(=O)[O-]	REAL300007715500	0	39	-1.0	-52.95	335.44	4.76	-48.19
CC(NS(=O)(=O)C1CCS(=O)(=O)CC1)C(C)C(=O)[O-]	REAL300007715501	0	37	-1.0	-50.69	305.98	-0.30	-50.99
CC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(C)C(=O)[O-]	REAL300007715502	0	36	-1.0	-54.61	310.60	3.36	-51.25
CCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(C)=C1	REAL300007715503	0	41	-1.0	-46.03	332.46	4.45	-41.58
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715504	0	39	-1.0	-55.17	340.23	-0.54	-55.71
CC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(C)C(=O)[O-]	REAL300007715505	0	35	-1.0	-57.87	294.92	3.44	-54.43
CSC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715506	0	35	-1.0	-45.41	307.51	4.35	-41.06
CC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(C)C(=O)[O-]	REAL300007715507	0	37	-1.0	-48.02	331.71	5.15	-42.87
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715508	0	42	-1.0	-58.85	335.26	5.20	-53.65
CC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(C)C(=O)[O-]	REAL300007715509	0	37	-1.0	-49.66	305.99	2.93	-46.73
CC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(C)C(=O)[O-]	REAL300007715510	0	36	-1.0	-49.00	302.10	3.82	-45.18
CC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(C)C(=O)[O-]	REAL300007715511	0	43	-1.0	-50.20	367.22	5.51	-44.69
CC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C(F)(F)F	REAL300007715512	0	37	-1.0	-48.01	319.00	4.80	-43.21
CC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(C)C(=O)[O-]	REAL300007715513	0	37	-1.0	-49.97	334.56	4.43	-45.54
CC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(C)C(=O)[O-]	REAL300007715514	0	40	-1.0	-50.04	332.18	4.93	-45.11
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C12	REAL300007715515	0	39	-1.0	-47.91	338.60	3.21	-44.70
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715516	0	38	-1.0	-49.01	340.45	4.10	-44.91
COCC1=CC=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715517	0	38	-1.0	-46.61	319.62	3.02	-43.59
CC(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(C)C(=O)[O-]	REAL300007715518	0	42	-1.0	-49.70	342.17	4.60	-45.10
CC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(C)C(=O)[O-]	REAL300007715519	0	34	-1.0	-60.29	307.09	4.51	-55.78
CC(NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(C)C(=O)[O-]	REAL300007715520	0	43	-1.0	-69.21	361.94	1.90	-67.31
CC(NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(C)C(=O)[O-]	REAL300007715521	0	38	-1.0	-46.38	341.55	4.01	-42.37
COC1=CC(OC)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1Br	REAL300007715522	0	39	-1.0	-50.26	340.99	3.05	-47.21
CC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(C)C(=O)[O-]	REAL300007715523	0	39	-1.0	-48.87	329.70	3.95	-44.92
CC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(C)C(=O)[O-]	REAL300007715524	0	34	-1.0	-49.71	312.23	4.80	-44.91
CC(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(C)C(=O)[O-]	REAL300007715525	0	39	-1.0	-46.59	326.40	4.02	-42.57
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715526	0	43	-1.0	-54.99	328.37	6.54	-48.45
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715527	0	43	-1.0	-53.19	351.05	2.24	-50.95
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(C)C(=O)[O-]	REAL300007715528	0	42	-1.0	-48.38	369.04	6.64	-41.74
CC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(C)C(=O)[O-]	REAL300007715529	0	37	-1.0	-47.83	328.77	3.86	-43.97
CC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(C)C(=O)[O-]	REAL300007715530	0	37	-1.0	-49.93	346.82	4.94	-44.99
CC1=NC(C2=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C2)=CO1	REAL300007715531	0	40	-1.0	-50.23	338.72	2.25	-47.98
CC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(C)C(=O)[O-]	REAL300007715532	0	34	-1.0	-47.83	305.94	2.30	-45.53
CC(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(C)C(=O)[O-]	REAL300007715533	0	34	-1.0	-46.82	288.38	1.84	-44.98
CC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(C)C(=O)[O-]	REAL300007715534	0	39	-1.0	-54.84	319.04	4.02	-50.82
CC1=CC=C(N2C=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=N2)C=C1	REAL300007715535	0	41	-1.0	-47.28	352.07	5.20	-42.08
CC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(C)C(=O)[O-]	REAL300007715536	0	39	-1.0	-47.83	341.16	4.45	-43.38
CC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007715537	0	36	-1.0	-44.74	307.85	4.47	-40.27
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=N1	REAL300007715538	0	42	-1.0	-59.87	358.23	4.08	-55.79
CC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(C)C(=O)[O-]	REAL300007715539	0	33	-1.0	-49.21	294.33	2.62	-46.59
CC(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(C)C(=O)[O-]	REAL300007715540	0	39	-1.0	-56.72	316.84	3.80	-52.92
CC1=CC2=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C2C=C1	REAL300007715541	0	40	-1.0	-48.00	331.79	6.23	-41.77
CC(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(C)C(=O)[O-]	REAL300007715542	0	39	-1.0	-47.10	317.06	3.70	-43.40
CC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(C)C(=O)[O-]	REAL300007715543	0	36	-1.0	-63.43	316.86	3.41	-60.02
CC(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(C)C(=O)[O-]	REAL300007715544	0	37	-1.0	-47.08	333.78	5.53	-41.55
CC(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(C)C(=O)[O-]	REAL300007715545	0	43	-1.0	-47.60	338.80	3.85	-43.75
CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(C)C(=O)[O-]	REAL300007715546	0	33	-1.0	-52.27	305.12	2.57	-49.70
COC1=CC=CC(OC)=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715547	0	39	-1.0	-53.31	315.53	3.72	-49.59
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715548	0	39	-1.0	-45.87	322.49	5.27	-40.60
CC1=CC=C(C)C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007715549	0	39	-1.0	-56.99	322.83	6.61	-50.38
CC1=CC(C)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007715550	0	39	-1.0	-50.04	324.84	5.31	-44.73
COC1=CC=C(CCS(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715551	0	41	-1.0	-48.43	346.55	4.30	-44.13
CC(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(C)C(=O)[O-]	REAL300007715552	0	40	-1.0	-46.84	340.23	5.00	-41.84
COC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC(OC)=C1	REAL300007715553	0	39	-1.0	-58.20	329.42	1.96	-56.24
CC1=CC2=C(C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-])OCO2	REAL300007715554	0	37	-1.0	-48.99	310.25	2.97	-46.02
COC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC=C1Cl	REAL300007715555	0	35	-1.0	-44.27	309.15	3.15	-41.12
CC(NS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(C)C(=O)[O-]	REAL300007715556	0	37	-1.0	-51.71	320.51	4.83	-46.88
CC1=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007715557	0	39	-1.0	-63.20	314.28	4.91	-58.29
CC1=NC2=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C2O1	REAL300007715558	0	36	-1.0	-49.13	315.93	1.14	-47.99
CCC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1CC	REAL300007715559	0	43	-1.0	-46.06	340.69	5.86	-40.20
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715560	0	39	-1.0	-43.97	319.79	5.57	-38.40
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715561	0	41	-1.0	-46.84	327.42	4.93	-41.91
CC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(C)C(=O)[O-]	REAL300007715562	0	32	-1.0	-45.33	293.63	1.34	-43.99
CC(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(C)C(=O)[O-]	REAL300007715563	0	38	-1.0	-57.21	319.74	3.05	-54.16
CC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(C)C(=O)[O-]	REAL300007715564	0	37	-1.0	-52.16	312.15	4.68	-47.48
CC(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(C)C(=O)[O-]	REAL300007715565	0	34	-1.0	-61.02	283.56	1.84	-59.18
CC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC(C)=C1F	REAL300007715566	0	37	-1.0	-45.56	309.39	4.52	-41.04
CC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(C)C(=O)[O-]	REAL300007715567	0	38	-1.0	-53.27	319.58	3.03	-50.24
CC(NS(=O)(=O)CCCOCC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300007715568	0	44	-1.0	-62.12	365.41	4.95	-57.17
CC(NS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(C)C(=O)[O-]	REAL300007715569	0	35	-1.0	-61.57	305.31	3.51	-58.06
CC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(C)C(=O)[O-]	REAL300007715570	0	33	-1.0	-63.07	291.20	3.23	-59.84
CC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(C)C(=O)[O-]	REAL300007715571	0	34	-1.0	-45.37	309.38	4.65	-40.72
CC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC=C1Cl	REAL300007715572	0	34	-1.0	-44.23	300.00	4.39	-39.84
CC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(C)C(=O)[O-]	REAL300007715573	0	37	-1.0	-57.46	320.36	4.46	-53.00
CC1=CSC(C2=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C2)=N1	REAL300007715574	0	40	-1.0	-56.35	356.65	4.82	-51.53
CC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(C)C(=O)[O-]	REAL300007715575	0	39	-1.0	-48.89	317.26	4.52	-44.37
CC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(C)C(=O)[O-]	REAL300007715576	0	38	-1.0	-54.96	327.44	1.04	-53.92
CC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(C)C(=O)[O-]	REAL300007715577	0	40	-1.0	-56.24	315.06	3.71	-52.53
CC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(C)C(=O)[O-]	REAL300007715578	0	34	-1.0	-45.48	312.52	4.66	-40.82
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715579	0	56	-1.0	-54.01	445.63	8.32	-45.69
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715580	0	41	-1.0	-46.90	358.52	5.40	-41.50
CCC(C)OC1=CC=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715581	0	44	-1.0	-46.16	354.58	4.96	-41.20
COC(CS(=O)(=O)NC(C)C(C)C(=O)[O-])C1CCCC1	REAL300007715582	0	44	-1.0	-44.30	346.03	3.74	-40.56
COC(CS(=O)(=O)NC(C)C(C)C(=O)[O-])C1CCCCC1	REAL300007715583	0	47	-1.0	-45.08	360.56	4.46	-40.62
CC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(C)C(=O)[O-]	REAL300007715584	0	45	-1.0	-46.31	382.05	6.64	-39.67
CCCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300007715585	0	50	-1.0	-46.56	396.00	6.35	-40.21
CCC1=NC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CN1CC1CC1	REAL300007715586	0	44	-1.0	-56.95	357.25	5.04	-51.91
CC(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(C)C(=O)[O-]	REAL300007715587	0	34	-1.0	-45.37	306.98	2.89	-42.48
CC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007715588	0	39	-1.0	-46.24	329.56	5.78	-40.46
CC(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(C)C(=O)[O-]	REAL300007715589	0	38	-1.0	-52.17	311.90	3.22	-48.95
CC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300007715590	0	44	-1.0	-53.54	373.11	5.61	-47.93
CC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(C)C(=O)[O-]	REAL300007715591	0	34	-1.0	-45.00	305.99	1.94	-43.06
CC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(C)C(=O)[O-]	REAL300007715592	0	42	-1.0	-49.89	365.14	7.39	-42.50
CC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(C)C(=O)[O-]	REAL300007715593	0	41	-1.0	-51.42	329.40	6.60	-44.82
CC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007715594	0	51	-1.0	-55.84	425.78	8.27	-47.57
CCC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C(C)C=C1OC	REAL300007715595	0	44	-1.0	-47.66	353.81	5.01	-42.65
CC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(C)C(=O)[O-]	REAL300007715596	0	37	-1.0	-51.38	336.54	5.27	-46.11
CC(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(C)C(=O)[O-]	REAL300007715597	1	33	-1.0	-56.23	296.03	2.41	-53.82
CC1=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007715598	0	40	-1.0	-49.08	313.62	6.36	-42.72
CC(C)OC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=N1	REAL300007715599	0	40	-1.0	-53.23	339.59	1.91	-51.32
COC1=C(F)C=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715600	0	35	-1.0	-45.98	301.57	3.42	-42.56
CCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300007715601	0	47	-1.0	-46.93	374.50	5.55	-41.38
CC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(C)C(=O)[O-]	REAL300007715602	0	43	-1.0	-47.64	342.80	5.55	-42.09
CC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(C)C(=O)[O-]	REAL300007715603	0	50	-1.0	-46.15	394.51	7.94	-38.21
CC(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(C)C(=O)[O-]	REAL300007715604	0	41	-1.0	-46.27	328.57	3.54	-42.73
CC(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(C)C(=O)[O-]	REAL300007715605	0	43	-1.0	-50.82	330.34	3.34	-47.48
CC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(C)C(=O)[O-]	REAL300007715606	0	41	-1.0	-49.70	340.50	3.85	-45.85
CC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(C)C(=O)[O-]	REAL300007715607	0	34	-1.0	-42.86	302.48	2.28	-40.58
COC1=CC=C(F)C=C1CS(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715608	0	38	-1.0	-48.06	327.23	3.57	-44.49
C=CCCC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715609	0	41	-1.0	-55.01	342.54	6.18	-48.83
CCCCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300007715610	0	53	-1.0	-44.77	416.55	7.12	-37.65
CC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(C)C(=O)[O-]	REAL300007715611	0	35	-1.0	-47.09	311.67	4.93	-42.16
CCCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C(C)(C)C	REAL300007715612	0	53	-1.0	-46.95	408.55	7.01	-39.94
CCCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1CC	REAL300007715613	0	47	-1.0	-45.05	378.16	5.80	-39.25
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715614	0	37	-1.0	-42.77	306.38	5.33	-37.44
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715615	0	37	-1.0	-48.18	322.41	5.09	-43.09
CC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(C)C(=O)[O-]	REAL300007715616	0	35	-1.0	-56.70	312.29	5.05	-51.65
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715617	0	47	-1.0	-46.74	376.40	5.89	-40.85
CC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(C)C(=O)[O-]	REAL300007715618	0	36	-1.0	-49.62	302.09	3.89	-45.73
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C2)C=C1	REAL300007715619	0	46	-1.0	-53.38	393.79	7.21	-46.17
CC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(C)C(=O)[O-]	REAL300007715620	0	38	-1.0	-50.30	323.03	3.18	-47.12
CC(NS(=O)(=O)C1=CC=NN1C1CCC1)C(C)C(=O)[O-]	REAL300007715621	0	38	-1.0	-44.08	307.94	2.89	-41.19
CC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(C)C(=O)[O-]	REAL300007715622	0	41	-1.0	-45.70	333.59	4.27	-41.43
CC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(C)C(=O)[O-]	REAL300007715623	0	42	-1.0	-46.26	338.75	1.57	-44.69
CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(C)C(=O)[O-]	REAL300007715624	0	37	-1.0	-54.66	332.00	4.33	-50.33
CC(NS(=O)(=O)C1=CN=C2CCCCN12)C(C)C(=O)[O-]	REAL300007715625	0	38	-1.0	-55.00	310.68	3.41	-51.59
CCCCCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300007715626	0	56	-1.0	-45.99	438.05	7.90	-38.09
COC1=CC(C(C)C)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C	REAL300007715627	0	47	-1.0	-48.00	367.78	5.40	-42.60
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715628	0	41	-1.0	-47.85	340.85	4.72	-43.13
CCOCCOC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C(C)C	REAL300007715629	0	54	-1.0	-49.79	429.98	5.77	-44.02
CC(NS(=O)(=O)C1=C2OC(C)CC2=CC=C1)C(C)C(=O)[O-]	REAL300007715630	0	39	-1.0	-51.38	319.23	3.79	-47.59
CC(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(C)C(=O)[O-]	REAL300007715631	0	39	-1.0	-45.20	335.92	3.04	-42.16
CC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(C)C(=O)[O-]	REAL300007715632	0	37	-1.0	-47.63	315.46	3.94	-43.69
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715633	0	36	-1.0	-66.04	311.35	2.82	-63.22
CC(NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(C)C(=O)[O-]	REAL300007715634	0	35	-1.0	-47.48	320.89	3.91	-43.57
CC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(C)C(=O)[O-]	REAL300007715635	0	34	-1.0	-49.84	311.67	4.94	-44.90
CC(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(C)C(=O)[O-]	REAL300007715636	0	38	-1.0	-45.11	311.79	2.77	-42.34
CC1=CC(C)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(C)=C1F	REAL300007715637	0	40	-1.0	-45.98	315.96	5.57	-40.41
COC1=CC=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1OC	REAL300007715638	0	39	-1.0	-49.28	327.07	3.27	-46.01
CC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(C)C(=O)[O-]	REAL300007715639	0	44	-1.0	-48.90	352.94	4.17	-44.73
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715640	0	43	-1.0	-46.23	337.51	3.59	-42.64
CCCCN1C=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(C)=N1	REAL300007715641	0	43	-1.0	-49.03	359.83	4.14	-44.89
CC(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(C)C(=O)[O-]	REAL300007715642	0	38	-1.0	-48.31	328.63	3.35	-44.96
CC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(C)C(=O)[O-]	REAL300007715643	0	35	-1.0	-56.31	304.56	2.97	-53.34
CC(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(C)C(=O)[O-]	REAL300007715644	0	36	-1.0	-54.19	313.19	1.75	-52.44
CC1=CC(C)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1Br	REAL300007715645	0	37	-1.0	-46.11	319.19	5.42	-40.69
CC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(C)C(=O)[O-]	REAL300007715646	0	37	-1.0	-44.09	333.98	4.47	-39.62
CC(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(C)C(=O)[O-]	REAL300007715647	0	41	-1.0	-49.26	334.46	3.55	-45.71
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715648	0	49	-1.0	-47.12	377.98	7.27	-39.85
CC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(C)C(=O)[O-]	REAL300007715649	0	37	-1.0	-43.41	335.79	5.17	-38.24
CC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(C)C(=O)[O-]	REAL300007715650	0	41	-1.0	-47.19	346.96	4.13	-43.06
CC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(C)C(=O)[O-]	REAL300007715651	0	35	-1.0	-46.72	296.62	4.32	-42.40
CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(C)C(=O)[O-]	REAL300007715652	0	42	-1.0	-44.70	346.69	5.98	-38.72
COC1=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007715653	0	40	-1.0	-71.12	330.07	4.62	-66.50
CC(NS(=O)(=O)C1=C2CCCC2=NN1C)C(C)C(=O)[O-]	REAL300007715654	0	38	-1.0	-46.94	306.72	2.68	-44.26
CC(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(C)C(=O)[O-]	REAL300007715655	0	40	-1.0	-46.07	314.44	3.34	-42.73
CC(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(C)C(=O)[O-]	REAL300007715656	0	40	-1.0	-46.76	337.53	3.21	-43.55
CC(NS(=O)(=O)C1=CNN=C1C1CCC1)C(C)C(=O)[O-]	REAL300007715657	0	38	-1.0	-47.87	320.73	2.58	-45.29
CC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007715658	0	36	-1.0	-43.10	314.60	3.11	-39.99
CC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(C)C(=O)[O-]	REAL300007715659	0	34	-1.0	-44.45	307.47	4.26	-40.19
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715660	0	42	-1.0	-49.17	348.17	5.32	-43.85
CC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(C)C(=O)[O-]	REAL300007715661	0	42	-1.0	-56.82	334.13	6.41	-50.41
CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(C)C(=O)[O-]	REAL300007715662	0	37	-1.0	-44.85	327.24	4.37	-40.48
CC(NS(=O)(=O)CC1=NOC2=C1COCC2)C(C)C(=O)[O-]	REAL300007715663	0	38	-1.0	-48.23	321.94	1.77	-46.46
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715664	0	41	-1.0	-45.31	363.60	4.10	-41.21
CC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(C)C(=O)[O-]	REAL300007715665	0	31	-1.0	-43.67	284.50	3.53	-40.14
CC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(C)C(=O)[O-]	REAL300007715666	0	41	-1.0	-47.24	333.21	3.87	-43.37
CCC(C)N1N=CC=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715667	0	40	-1.0	-52.70	330.39	3.21	-49.49
CC(NS(=O)(=O)N(C)C1CCCCCC1)C(C)C(=O)[O-]	REAL300007715668	0	45	-1.0	-46.10	328.97	4.21	-41.89
CC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(C)C(=O)[O-]	REAL300007715669	0	45	-1.0	-47.85	361.59	2.29	-45.56
CC(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(C)C(=O)[O-]	REAL300007715670	0	37	-1.0	-45.34	316.85	4.82	-40.52
CC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(C)C(=O)[O-]	REAL300007715671	0	35	-1.0	-46.78	302.85	2.87	-43.91
CC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(C)C(=O)[O-]	REAL300007715672	0	46	-1.0	-45.70	362.32	6.12	-39.58
CC1=CC(C)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=NC=CC=C12	REAL300007715673	0	42	-1.0	-55.02	336.14	5.68	-49.34
CC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(C)C(=O)[O-]	REAL300007715674	0	39	-1.0	-45.49	324.58	3.70	-41.79
CCOCC1=CC=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715675	0	41	-1.0	-46.14	340.53	3.98	-42.16
CC(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(C)C(=O)[O-]	REAL300007715676	0	34	-1.0	-47.49	332.10	5.52	-41.97
CC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(C)C(=O)[O-]	REAL300007715677	0	41	-1.0	-47.89	344.03	4.50	-43.39
CC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(C)C(=O)[O-]	REAL300007715678	0	44	-1.0	-49.55	359.49	4.45	-45.10
CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(C)C(=O)[O-]	REAL300007715679	0	42	-1.0	-53.97	354.16	6.24	-47.73
CC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC(C)=C1Br	REAL300007715680	0	37	-1.0	-45.64	320.06	4.92	-40.72
CC(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(C)C(=O)[O-]	REAL300007715681	0	34	-1.0	-47.49	332.10	5.52	-41.97
CC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=CC=CC=C12	REAL300007715682	0	40	-1.0	-49.39	327.13	6.26	-43.13
CC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300007715683	0	41	-1.0	-49.74	339.23	4.67	-45.07
CC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(C)C(=O)[O-]	REAL300007715684	0	35	-1.0	-46.01	308.91	4.71	-41.30
CC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(C)C(=O)[O-]	REAL300007715685	0	35	-1.0	-47.07	316.23	5.03	-42.04
CC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(C)C(=O)[O-]	REAL300007715686	0	35	-1.0	-45.49	323.78	5.26	-40.23
CC(NS(=O)(=O)CCC1NC(=O)NC1=O)C(C)C(=O)[O-]	REAL300007715687	0	36	-1.0	-51.31	312.09	-2.63	-53.94
CC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(C)C(=O)[O-]	REAL300007715688	0	33	-1.0	-46.34	300.26	2.80	-43.54
CC1=NC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007715689	0	40	-1.0	-52.18	344.95	3.10	-49.08
CC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(C)C(=O)[O-]	REAL300007715690	0	48	-1.0	-60.02	341.58	6.27	-53.75
CC(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(C)C(=O)[O-]	REAL300007715691	0	39	-1.0	-46.00	307.20	3.88	-42.12
CC(NS(=O)(=O)CCCCS(C)(=O)=O)C(C)C(=O)[O-]	REAL300007715692	0	39	-1.0	-56.93	339.38	0.22	-56.71
CC(NS(=O)(=O)CC1CCC(C)(C)CO1)C(C)C(=O)[O-]	REAL300007715693	0	44	-1.0	-61.12	338.90	3.74	-57.38
CC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(C)C(=O)[O-]	REAL300007715694	0	35	-1.0	-56.58	309.54	2.22	-54.36
CC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(C)C(=O)[O-]	REAL300007715695	0	41	-1.0	-46.59	347.37	6.22	-40.37
CC(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(C)C(=O)[O-]	REAL300007715696	0	40	-1.0	-63.95	317.08	0.84	-63.11
CC(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(C)C(=O)[O-]	REAL300007715697	0	44	-1.0	-58.42	332.32	5.40	-53.02
CC(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(C)C(=O)[O-]	REAL300007715698	0	35	-1.0	-47.11	311.01	4.67	-42.44
CC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(C)C(=O)[O-]	REAL300007715699	0	53	-1.0	-56.07	394.96	7.56	-48.51
COC1=CC=C(C=C(C)S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715700	0	42	-1.0	-46.72	343.41	4.43	-42.29
COC1=CSC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1OC	REAL300007715701	0	36	-1.0	-47.18	315.66	1.23	-45.95
CC(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(C)C(=O)[O-]	REAL300007715702	0	43	-1.0	-45.40	322.40	3.79	-41.61
CC(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(C)C(=O)[O-]	REAL300007715703	0	42	-1.0	-45.78	345.59	5.31	-40.47
CC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(C)C(=O)[O-]	REAL300007715704	0	35	-1.0	-48.17	318.14	4.15	-44.02
COC1=CC(F)=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(F)=C1	REAL300007715705	0	35	-1.0	-47.34	308.77	3.03	-44.31
CC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(C)C(=O)[O-]	REAL300007715706	0	35	-1.0	-49.55	309.05	2.93	-46.62
CC(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(C)C(=O)[O-]	REAL300007715707	0	37	-1.0	-53.31	309.98	3.29	-50.02
CC(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(C)C(=O)[O-]	REAL300007715708	0	38	-1.0	-52.33	316.04	4.95	-47.38
CC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(C)C(=O)[O-]	REAL300007715709	0	40	-1.0	-54.80	349.28	3.85	-50.95
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715710	0	44	-1.0	-56.53	361.42	5.72	-50.81
CC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(C)C(=O)[O-]	REAL300007715711	0	42	-1.0	-51.18	354.93	6.21	-44.97
CC(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(C)C(=O)[O-]	REAL300007715712	0	37	-1.0	-52.62	298.87	5.19	-47.43
CC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(C)C(=O)[O-]	REAL300007715713	0	32	-1.0	-57.79	301.87	2.26	-55.53
C=C(C)COC1=CC=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715714	0	42	-1.0	-46.40	348.22	4.92	-41.48
CCN1C=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(C2CC2)=N1	REAL300007715715	0	41	-1.0	-48.25	350.19	4.20	-44.05
CC1=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=NSN=C2C=C1	REAL300007715716	0	35	-1.0	-63.79	309.85	2.80	-60.99
CC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(C)C(=O)[O-]	REAL300007715717	0	37	-1.0	-45.71	326.19	6.06	-39.65
CC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(C)C(=O)[O-]	REAL300007715718	0	41	-1.0	-45.71	360.28	7.32	-38.39
CC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(C)C(=O)[O-]	REAL300007715719	0	30	-1.0	-43.73	299.91	1.48	-42.25
CCC1=CC(S(=O)(=O)NC(C)C(C)C(=O)[O-])=CC=C1Br	REAL300007715720	0	37	-1.0	-43.57	322.66	5.16	-38.41
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715721	0	44	-1.0	-51.77	352.19	4.57	-47.20
COCCC1=CC=C(OC)C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715722	0	45	-1.0	-50.42	367.60	3.55	-46.87
CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(C)C(=O)[O-]	REAL300007715723	0	37	-1.0	-56.03	324.54	6.28	-49.75
CC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(C)C(=O)[O-]	REAL300007715724	0	39	-1.0	-52.02	318.29	0.97	-51.05
CC(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(C)C(=O)[O-]	REAL300007715725	0	37	-1.0	-47.27	334.19	3.22	-44.05
CC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(C)C(=O)[O-]	REAL300007715726	0	46	-1.0	-45.24	365.48	3.67	-41.57
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715727	0	34	-1.0	-43.88	298.58	0.99	-42.89
COC1=NC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1C	REAL300007715728	0	37	-1.0	-44.88	314.73	0.75	-44.13
CC(C)CN1C=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=N1	REAL300007715729	0	40	-1.0	-50.57	340.51	3.60	-46.97
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715730	0	40	-1.0	-48.58	332.88	3.13	-45.45
CC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(C)C(=O)[O-]	REAL300007715731	0	41	-1.0	-44.21	326.04	1.07	-43.14
COCC1=CC(CS(=O)(=O)NC(C)C(C)C(=O)[O-])=NO1	REAL300007715732	0	37	-1.0	-49.22	320.95	1.20	-48.02
CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(C)C(=O)[O-]	REAL300007715733	0	36	-1.0	-46.32	318.03	5.50	-40.82
CC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(C)C(=O)[O-]	REAL300007715734	0	42	-1.0	-49.36	334.40	3.98	-45.38
CC(NS(=O)(=O)C1=CC=NN1CC1CC1)C(C)C(=O)[O-]	REAL300007715735	0	38	-1.0	-45.91	320.37	3.37	-42.54
CC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(C)C(=O)[O-]	REAL300007715736	0	38	-1.0	-53.59	326.78	4.65	-48.94
CC(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(C)C(=O)[O-]	REAL300007715737	0	33	-1.0	-49.91	291.13	2.52	-47.39
CC1=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=NN1C(C)C	REAL300007715738	0	40	-1.0	-51.36	332.64	3.22	-48.14
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C=C1	REAL300007715739	0	45	-1.0	-53.77	373.73	6.92	-46.85
CC(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(C)C(=O)[O-]	REAL300007715740	0	36	-1.0	-52.64	305.19	4.42	-48.22
CC(NS(=O)(=O)N1CC=C(Br)CC1)C(C)C(=O)[O-]	REAL300007715741	0	34	-1.0	-42.96	295.94	2.99	-39.97
CC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(C)C(=O)[O-]	REAL300007715742	0	39	-1.0	-53.22	324.61	-0.88	-54.10
COC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C(C(F)F)=C1	REAL300007715743	0	38	-1.0	-49.30	314.24	3.53	-45.77
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715744	0	37	-1.0	-43.21	320.73	1.45	-41.76
CC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(C)C(=O)[O-]	REAL300007715745	0	36	-1.0	-47.80	305.10	3.81	-43.99
CCOC1=CC=CN=C1S(=O)(=O)NC(C)C(C)C(=O)[O-]	REAL300007715746	0	37	-1.0	-51.24	311.47	2.60	-48.64
CC1=CC=C(S(=O)(=O)NC(C)C(C)C(=O)[O-])C2=NC=CC=C12	REAL300007715747	0	39	-1.0	-52.97	323.76	4.50	-48.47
CC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(C)C(=O)[O-]	REAL300007715748	0	33	-1.0	-63.84	298.87	2.85	-60.99
CC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(C)C(=O)[O-]	REAL300007715749	0	38	-1.0	-47.63	338.58	4.29	-43.34
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(C)C(C)C(=O)[O-])=C1	REAL300007715750	0	44	-1.0	-48.63	355.85	5.31	-43.32
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715751	0	37	-1.0	-71.87	308.14	5.77	-66.10
CCC(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715752	0	44	-1.0	-60.59	348.80	8.02	-52.57
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)S1	REAL300007715753	0	29	-1.0	-40.91	271.84	4.37	-36.54
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715754	0	39	-1.0	-51.19	312.89	5.30	-45.89
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715755	0	35	-1.0	-49.32	296.66	5.85	-43.47
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007715756	0	36	-1.0	-45.21	308.15	5.14	-40.07
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007715757	0	38	-1.0	-65.41	330.82	2.95	-62.46
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007715758	0	36	-1.0	-56.49	316.32	5.22	-51.27
COC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1OC	REAL300007715759	0	43	-1.0	-53.31	331.91	4.42	-48.89
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715760	0	35	-1.0	-46.21	289.84	5.74	-40.47
CN(C1CCCCC1)S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715761	0	43	-1.0	-59.32	322.51	5.82	-53.50
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715762	0	38	-1.0	-58.54	300.32	4.17	-54.37
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007715763	0	48	-1.0	-60.28	372.51	9.25	-51.03
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007715764	0	38	-1.0	-60.58	314.81	4.58	-56.00
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1Br	REAL300007715765	0	32	-1.0	-45.65	274.54	5.14	-40.51
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007715766	0	32	-1.0	-58.12	291.62	6.05	-52.07
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715767	0	37	-1.0	-45.65	292.06	6.50	-39.15
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007715768	0	38	-1.0	-60.73	332.20	7.53	-53.20
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715769	0	42	-1.0	-72.59	353.52	2.09	-70.50
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715770	0	43	-1.0	-62.64	352.67	7.28	-55.36
CC1=CC(F)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715771	0	35	-1.0	-57.93	298.15	6.17	-51.76
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007715772	0	38	-1.0	-47.89	310.61	5.32	-42.57
COCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715773	0	39	-1.0	-61.86	325.73	5.17	-56.69
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300007715774	0	38	-1.0	-57.62	319.37	3.04	-54.58
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007715775	0	41	-1.0	-74.63	355.69	3.65	-70.98
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCCS(C)(=O)=O	REAL300007715776	0	37	-1.0	-77.34	319.19	1.55	-75.79
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1C	REAL300007715777	0	42	-1.0	-50.83	318.45	5.14	-45.69
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007715778	0	37	-1.0	-49.78	323.07	5.30	-44.48
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007715779	0	35	-1.0	-63.56	317.52	6.93	-56.63
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007715780	0	37	-1.0	-61.96	308.59	5.77	-56.19
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007715781	0	42	-1.0	-65.28	338.34	0.91	-64.37
CN(C1CCOCC1)S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715782	0	41	-1.0	-60.47	312.86	3.37	-57.10
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007715783	0	41	-1.0	-55.32	334.42	5.70	-49.62
CCN1N=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1C	REAL300007715784	0	41	-1.0	-61.45	320.75	5.00	-56.45
CC(C)N1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300007715785	0	38	-1.0	-44.81	307.74	3.70	-41.11
CC(C)CN1C=NC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715786	0	41	-1.0	-48.45	327.57	5.53	-42.92
CC(C)N1C=NC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715787	0	38	-1.0	-49.03	308.42	4.95	-44.08
CC(C)C1=NC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CN1	REAL300007715788	0	38	-1.0	-52.88	310.46	3.49	-49.39
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715789	0	44	-1.0	-49.35	318.56	7.49	-41.86
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007715790	0	45	-1.0	-54.02	363.81	7.37	-46.65
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715791	0	40	-1.0	-74.60	336.56	4.85	-69.75
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1OC	REAL300007715792	0	40	-1.0	-47.67	331.19	4.28	-43.39
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Br	REAL300007715793	0	35	-1.0	-58.09	309.96	6.65	-51.44
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715794	0	35	-1.0	-45.56	278.57	5.27	-40.29
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007715795	0	38	-1.0	-48.51	314.93	7.18	-41.33
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007715796	0	37	-1.0	-43.37	320.03	6.73	-36.64
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007715797	0	36	-1.0	-59.70	315.90	5.10	-54.60
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007715798	0	39	-1.0	-48.62	328.32	6.22	-42.40
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715799	0	47	-1.0	-53.51	360.63	6.09	-47.42
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007715800	0	35	-1.0	-59.66	302.85	6.31	-53.35
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715801	0	43	-1.0	-52.18	346.65	4.37	-47.81
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715804	0	36	-1.0	-50.76	297.97	4.71	-46.05
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715805	0	43	-1.0	-52.75	350.91	5.05	-47.70
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300007715806	0	43	-1.0	-63.35	361.18	2.52	-60.83
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007715807	0	50	-1.0	-59.52	354.10	7.00	-52.52
CC1=NC2=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=CC=C2C=C1	REAL300007715808	0	40	-1.0	-55.66	324.85	6.27	-49.39
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007715809	0	40	-1.0	-68.12	337.44	7.48	-60.64
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007715810	0	43	-1.0	-45.14	340.14	3.15	-41.99
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715811	0	46	-1.0	-50.36	385.30	5.95	-44.41
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715812	0	46	-1.0	-51.31	380.34	6.07	-45.24
CCCN1C=NC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715813	0	38	-1.0	-56.90	312.08	6.14	-50.76
COCCOCCOCCS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715814	0	46	-1.0	-62.54	378.69	2.84	-59.70
CC(COC1CCCC1)CS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715815	0	48	-1.0	-64.84	374.12	6.87	-57.97
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715816	0	39	-1.0	-58.68	338.55	5.73	-52.95
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007715817	0	40	-1.0	-43.84	321.02	2.36	-41.48
COC1=CC(Br)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715818	0	36	-1.0	-58.85	321.07	5.35	-53.50
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007715819	0	36	-1.0	-49.69	307.69	4.99	-44.70
COC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007715820	0	38	-1.0	-56.02	325.80	6.17	-49.85
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715821	0	38	-1.0	-45.59	311.92	6.22	-39.37
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715822	0	38	-1.0	-50.32	314.44	6.24	-44.08
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007715823	0	38	-1.0	-56.56	324.75	6.94	-49.62
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715824	0	41	-1.0	-48.64	309.91	6.30	-42.34
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCCN1CCOCC1	REAL300007715825	0	44	-1.0	-65.14	345.85	2.54	-62.60
CCOC1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715826	0	39	-1.0	-63.44	319.01	5.61	-57.83
COCCN1C=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=N1	REAL300007715827	0	39	-1.0	-49.37	322.70	2.21	-47.16
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007715828	0	39	-1.0	-65.30	335.01	5.99	-59.31
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1C	REAL300007715829	0	59	-1.0	-59.27	452.00	9.60	-49.67
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007715830	0	40	-1.0	-64.52	345.64	7.74	-56.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007715831	0	37	-1.0	-61.96	311.50	5.77	-56.19
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007715832	0	35	-1.0	-63.53	317.61	6.94	-56.59
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300007715833	0	35	-1.0	-64.59	313.40	6.87	-57.72
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007715834	0	39	-1.0	-73.05	334.97	3.31	-69.74
CC1=CC(Br)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715835	0	35	-1.0	-57.91	313.05	6.72	-51.19
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715836	0	35	-1.0	-45.77	291.41	5.76	-40.01
COCC1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715837	0	39	-1.0	-46.51	305.24	4.49	-42.02
COC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1Br	REAL300007715838	0	36	-1.0	-56.97	320.37	5.44	-51.53
COC1=CC(OC)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300007715839	0	40	-1.0	-51.45	337.03	4.51	-46.94
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007715840	0	35	-1.0	-53.04	306.90	3.66	-49.38
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007715841	0	35	-1.0	-49.50	302.02	3.45	-46.05
CC1(C)CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C2O1	REAL300007715842	0	43	-1.0	-60.27	347.80	6.69	-53.58
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007715843	0	35	-1.0	-44.21	305.85	3.90	-40.31
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715844	0	43	-1.0	-55.86	348.30	3.53	-52.33
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715845	0	44	-1.0	-63.65	373.78	4.66	-58.99
CSC1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715846	0	36	-1.0	-50.32	295.10	5.55	-44.77
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007715847	0	40	-1.0	-62.18	349.48	2.22	-59.96
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715848	0	46	-1.0	-61.68	389.81	3.24	-58.44
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715849	0	43	-1.0	-56.32	340.65	4.65	-51.67
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1F	REAL300007715850	0	43	-1.0	-60.99	370.95	3.11	-57.88
CCC1=CC=C(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715851	0	41	-1.0	-65.02	338.81	7.73	-57.29
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CS1	REAL300007715852	0	35	-1.0	-61.88	307.65	6.16	-55.72
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007715853	0	47	-1.0	-58.90	384.19	5.90	-53.00
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007715854	0	44	-1.0	-52.30	349.23	3.82	-48.48
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715855	0	41	-1.0	-67.54	349.83	3.80	-63.74
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715856	0	42	-1.0	-63.57	352.26	2.17	-61.40
CC1=CC=C(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300007715857	0	41	-1.0	-65.84	334.35	7.50	-58.34
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Br	REAL300007715858	0	39	-1.0	-60.65	342.21	6.35	-54.30
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007715859	0	46	-1.0	-63.82	378.47	8.49	-55.33
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007715860	0	36	-1.0	-48.84	318.02	5.43	-43.41
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715861	0	39	-1.0	-64.96	342.65	6.18	-58.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CCOC(C)(C)C1	REAL300007715862	0	41	-1.0	-58.97	316.52	3.65	-55.32
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2S1	REAL300007715863	0	46	-1.0	-59.38	383.31	7.37	-52.01
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715864	0	39	-1.0	-50.51	331.04	5.82	-44.69
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CC=C21	REAL300007715865	0	44	-1.0	-60.87	360.98	6.97	-53.90
CCS(=O)(=O)NCCS(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715866	0	39	-1.0	-65.56	334.06	0.27	-65.29
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007715867	0	38	-1.0	-58.42	330.21	6.63	-51.79
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007715868	0	35	-1.0	-45.44	318.45	6.69	-38.75
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007715869	0	38	-1.0	-48.73	327.09	7.45	-41.28
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007715870	0	35	-1.0	-45.43	314.97	6.51	-38.92
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007715871	0	38	-1.0	-49.47	317.31	7.30	-42.17
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007715872	0	38	-1.0	-63.10	331.65	7.23	-55.87
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007715873	0	43	-1.0	-64.25	353.62	6.94	-57.31
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007715874	0	46	-1.0	-49.14	378.30	8.21	-40.93
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715875	0	45	-1.0	-66.17	377.53	7.01	-59.16
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007715876	0	43	-1.0	-65.83	370.21	2.59	-63.24
CC1=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007715877	0	41	-1.0	-50.44	330.58	7.56	-42.88
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1N(C)C	REAL300007715878	0	43	-1.0	-60.41	344.92	6.08	-54.33
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007715879	0	38	-1.0	-62.57	333.63	7.52	-55.05
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007715880	0	37	-1.0	-53.79	303.29	1.69	-52.10
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCOCC1CCCC1	REAL300007715881	0	45	-1.0	-60.12	356.91	6.04	-54.08
COC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300007715882	0	39	-1.0	-51.86	318.64	5.06	-46.80
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007715883	0	41	-1.0	-76.01	357.01	3.84	-72.17
CSC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300007715884	0	36	-1.0	-57.51	325.52	6.90	-50.61
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715885	0	44	-1.0	-53.32	339.69	5.06	-48.26
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007715886	0	40	-1.0	-57.53	341.50	3.98	-53.55
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C12	REAL300007715887	0	39	-1.0	-57.75	331.64	3.13	-54.62
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007715888	0	43	-1.0	-54.78	366.95	5.27	-49.51
CN1N=CC2=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=CN=C21	REAL300007715889	0	37	-1.0	-57.56	314.70	4.57	-52.99
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007715890	0	38	-1.0	-58.11	334.78	8.25	-49.86
CCC1=CC(CC)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(CC)=C1	REAL300007715891	0	50	-1.0	-44.23	354.40	8.91	-35.32
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007715892	0	39	-1.0	-51.15	308.78	4.60	-46.55
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007715893	0	38	-1.0	-56.82	338.94	3.50	-53.32
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007715894	0	41	-1.0	-55.51	330.60	8.48	-47.03
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1F	REAL300007715895	0	39	-1.0	-46.87	307.92	4.56	-42.31
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1(C)CCCCC1	REAL300007715896	0	44	-1.0	-64.55	322.03	7.04	-57.51
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007715897	0	41	-1.0	-49.33	326.86	6.21	-43.12
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007715899	0	40	-1.0	-56.89	339.62	6.69	-50.20
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715900	0	39	-1.0	-58.28	342.14	5.67	-52.61
CC1=CC=C(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])C(F)=C1	REAL300007715901	0	38	-1.0	-64.91	323.04	7.03	-57.88
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007715903	0	32	-1.0	-39.55	295.43	4.94	-34.61
CC1(C(=O)[O-])CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007715904	0	45	-1.0	-65.11	360.91	8.87	-56.24
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCC2(C)C(=O)[O-])=NO1	REAL300007715905	0	43	-1.0	-68.60	354.27	6.31	-62.29
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007715906	0	41	-1.0	-72.74	331.35	2.70	-70.04
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007715907	0	35	-1.0	-46.57	299.09	5.22	-41.35
CC1=C(CCS(=O)(=O)N2CCCC2(C)C(=O)[O-])SC=N1	REAL300007715908	0	37	-1.0	-62.48	320.94	4.79	-57.69
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300007715909	0	42	-1.0	-65.47	317.06	7.04	-58.43
COC1=CC=C2C=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])CCC2=C1	REAL300007715910	0	44	-1.0	-48.25	348.96	6.50	-41.75
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300007715911	0	45	-1.0	-65.56	330.08	7.58	-57.98
CC(C)(CCS(=O)(=O)N1CCCC1(C)C(=O)[O-])S(C)(=O)=O	REAL300007715912	0	43	-1.0	-69.51	343.45	2.64	-66.87
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007715913	0	41	-1.0	-53.35	315.90	6.15	-47.20
CC1(C(=O)[O-])CCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007715914	0	39	-1.0	-44.34	314.49	6.91	-37.43
CCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007715915	0	40	-1.0	-65.25	332.99	7.26	-57.99
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007715916	0	32	-1.0	-57.49	287.38	5.96	-51.53
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007715917	0	32	-1.0	-57.26	291.96	6.07	-51.19
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007715918	0	34	-1.0	-55.48	298.35	6.10	-49.38
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007715919	0	38	-1.0	-61.33	313.52	7.66	-53.67
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007715920	0	34	-1.0	-64.28	295.89	6.05	-58.23
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715921	0	37	-1.0	-54.42	301.34	5.90	-48.52
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007715922	0	34	-1.0	-56.90	283.59	6.37	-50.53
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715923	0	39	-1.0	-49.30	334.69	6.19	-43.11
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715924	0	39	-1.0	-60.46	322.00	5.67	-54.79
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1C	REAL300007715925	0	44	-1.0	-61.20	324.16	7.46	-53.74
CC1=CC(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1	REAL300007715926	0	41	-1.0	-60.00	310.92	7.13	-52.87
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715927	0	47	-1.0	-51.68	351.57	7.56	-44.12
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007715928	0	35	-1.0	-57.94	309.36	6.44	-51.50
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007715929	0	35	-1.0	-50.15	291.51	6.05	-44.10
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007715930	0	32	-1.0	-58.22	287.06	5.95	-52.27
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715931	0	37	-1.0	-63.90	311.86	5.86	-58.04
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007715932	0	38	-1.0	-66.05	325.83	6.17	-59.88
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715933	0	44	-1.0	-60.55	346.87	7.77	-52.78
CC(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715934	0	41	-1.0	-60.69	330.36	7.36	-53.33
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715935	0	43	-1.0	-61.77	366.17	3.44	-58.33
CCCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715936	0	41	-1.0	-60.88	335.05	7.66	-53.22
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Br	REAL300007715937	0	36	-1.0	-58.11	320.22	5.40	-52.71
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC=C1Br	REAL300007715938	0	35	-1.0	-57.50	309.83	6.61	-50.89
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2)=C1	REAL300007715939	0	46	-1.0	-59.91	381.02	8.97	-50.94
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007715940	0	36	-1.0	-56.32	316.63	5.24	-51.08
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C)=C1C	REAL300007715941	0	47	-1.0	-60.16	335.32	8.21	-51.95
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007715942	0	41	-1.0	-60.43	333.10	5.38	-55.05
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715943	0	48	-1.0	-52.35	367.65	6.96	-45.39
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007715944	0	37	-1.0	-57.92	314.27	6.62	-51.30
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715945	0	36	-1.0	-49.43	312.86	5.25	-44.18
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715946	0	50	-1.0	-59.20	365.71	8.79	-50.41
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007715947	0	35	-1.0	-56.77	309.39	6.44	-50.33
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007715948	0	42	-1.0	-61.37	333.07	7.92	-53.45
COC1=CC=C(OC)C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715949	0	40	-1.0	-54.26	321.03	3.93	-50.33
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1OC	REAL300007715950	0	40	-1.0	-61.45	329.18	4.67	-56.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007715951	0	39	-1.0	-62.17	315.87	7.33	-54.84
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007715952	0	40	-1.0	-60.88	325.24	7.88	-53.00
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007715953	0	37	-1.0	-60.25	306.27	5.28	-54.97
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715954	0	47	-1.0	-60.87	374.12	8.95	-51.92
CCOC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1OCC	REAL300007715955	0	46	-1.0	-61.30	372.76	6.48	-54.82
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007715956	0	37	-1.0	-63.16	324.35	0.38	-62.78
CC1=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007715957	0	40	-1.0	-63.63	334.10	7.26	-56.37
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1C	REAL300007715958	0	40	-1.0	-54.86	319.35	6.48	-48.38
CC1=CC2=CC=CC(S(=O)(=O)N3CCCC3(C)C(=O)[O-])=C2N=C1	REAL300007715959	0	40	-1.0	-54.66	324.67	6.31	-48.35
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007715960	0	38	-1.0	-53.98	313.04	5.67	-48.31
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715961	0	36	-1.0	-46.57	308.21	5.17	-41.40
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007715962	0	37	-1.0	-66.45	321.90	0.34	-66.11
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007715963	0	44	-1.0	-66.44	379.30	3.27	-63.17
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715964	0	40	-1.0	-64.49	336.97	6.69	-57.80
CC1(C(=O)[O-])CCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007715965	0	41	-1.0	-59.60	325.94	6.71	-52.89
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CN=C12	REAL300007715966	0	40	-1.0	-51.58	315.79	5.73	-45.85
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1C	REAL300007715967	0	40	-1.0	-57.24	322.64	7.60	-49.64
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2(C)C(=O)[O-])=C1	REAL300007715968	0	43	-1.0	-66.23	363.99	3.35	-62.88
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007715969	0	44	-1.0	-63.47	355.28	4.77	-58.70
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007715970	0	38	-1.0	-68.01	328.36	2.91	-65.10
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007715971	0	42	-1.0	-49.48	326.49	8.13	-41.35
CC1CC(C)CN(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C1	REAL300007715972	0	43	-1.0	-47.65	320.11	5.47	-42.18
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007715973	0	38	-1.0	-51.81	300.63	6.79	-45.02
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007715974	0	42	-1.0	-61.44	344.28	8.85	-52.59
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715975	0	35	-1.0	-51.03	281.76	5.30	-45.73
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=CC=C12	REAL300007715976	0	46	-1.0	-50.96	353.98	6.61	-44.35
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007715977	0	33	-1.0	-47.84	290.31	3.16	-44.68
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715978	0	36	-1.0	-49.51	308.29	5.15	-44.36
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715979	0	47	-1.0	-60.41	360.53	8.22	-52.19
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1Cl	REAL300007715980	0	35	-1.0	-58.07	305.92	6.57	-51.50
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715981	0	42	-1.0	-60.27	339.87	6.29	-53.98
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007715982	0	35	-1.0	-63.61	313.05	6.83	-56.78
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007715983	0	33	-1.0	-44.86	281.97	3.58	-41.28
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007715984	0	37	-1.0	-49.14	322.29	7.38	-41.76
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007715985	0	37	-1.0	-54.96	303.30	5.68	-49.28
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007715986	0	43	-1.0	-60.60	375.56	8.87	-51.73
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715987	0	38	-1.0	-44.28	319.70	5.32	-38.96
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1F	REAL300007715988	0	36	-1.0	-58.04	306.03	4.80	-53.24
CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1F	REAL300007715989	0	35	-1.0	-57.94	297.18	6.17	-51.77
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007715990	0	43	-1.0	-58.35	377.30	8.87	-49.48
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCC3(C)C(=O)[O-])C=C2)C=C1	REAL300007715991	0	47	-1.0	-59.47	389.12	7.59	-51.88
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C(C(C)C)=C1	REAL300007715992	0	59	-1.0	-45.53	418.08	10.48	-35.05
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CC=C12	REAL300007715993	0	48	-1.0	-52.74	368.65	7.66	-45.08
CC1(C(=O)[O-])CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007715994	0	35	-1.0	-62.93	325.89	7.21	-55.72
COC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C2=CC=CC=C12	REAL300007715995	0	42	-1.0	-52.29	328.86	6.11	-46.18
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715996	0	37	-1.0	-44.69	301.39	5.90	-38.79
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715997	0	37	-1.0	-43.49	296.15	5.73	-37.76
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1(C)C(=O)[O-]	REAL300007715998	0	40	-1.0	-50.85	324.84	7.11	-43.74
CC(C)CC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007715999	0	44	-1.0	-61.08	351.28	8.11	-52.97
COCCC1=CC=C(S(=O)(=O)N2CCCC2(C)C(=O)[O-])C=C1	REAL300007716000	0	42	-1.0	-61.00	347.23	5.95	-55.05
COCC(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007716393	0	33	-1.0	-46.70	302.77	1.30	-45.40
COCC(NS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007716394	0	34	-1.0	-45.15	332.86	3.23	-41.92
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716395	0	40	-1.0	-63.63	358.64	1.50	-62.13
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1C	REAL300007716396	0	40	-1.0	-59.41	359.01	-1.68	-61.09
COCC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007716397	0	47	-1.0	-55.50	354.32	2.99	-52.51
COCC(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007716398	0	37	-1.0	-55.47	329.65	2.67	-52.80
COCC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007716399	0	37	-1.0	-69.65	331.96	3.25	-66.40
COCC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007716400	0	40	-1.0	-47.44	343.35	-0.06	-47.50
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716401	0	43	-1.0	-48.02	390.22	2.50	-45.52
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716402	0	43	-1.0	-62.29	385.23	2.71	-59.58
COCC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007716403	0	45	-1.0	-41.95	364.50	2.69	-39.26
COCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007716404	0	44	-1.0	-46.95	391.17	2.79	-44.16
COCC(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007716405	0	36	-1.0	-44.32	334.42	1.69	-42.63
COCC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007716406	0	37	-1.0	-46.42	326.15	-0.83	-47.25
COCC(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300007716407	0	33	-1.0	-44.79	316.98	1.31	-43.48
COCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007716408	0	33	-1.0	-56.91	312.79	1.52	-55.39
COCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300007716409	0	35	-1.0	-52.86	322.80	2.06	-50.80
COCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300007716410	0	35	-1.0	-53.68	322.94	3.20	-50.48
COCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300007716411	0	35	-1.0	-58.05	322.12	3.32	-54.73
COCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007716412	0	35	-1.0	-52.70	321.58	2.86	-49.84
COCC(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300007716413	0	38	-1.0	-59.11	319.86	3.39	-55.72
CCOC1=CC=CC(S(=O)(=O)NC(COC)C(=O)[O-])=C1	REAL300007716414	0	36	-1.0	-47.74	319.21	1.66	-46.08
COCCN1C=C(S(=O)(=O)NC(COC)C(=O)[O-])C=N1	REAL300007716415	0	36	-1.0	-48.68	327.86	-0.96	-49.64
COCC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007716416	0	36	-1.0	-61.21	331.64	1.86	-59.35
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(COC)C(=O)[O-])=C1C	REAL300007716417	0	56	-1.0	-56.92	452.63	5.82	-51.10
COCC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300007716418	0	43	-1.0	-56.96	387.75	-0.26	-57.22
COCC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007716419	0	37	-1.0	-61.53	340.51	3.52	-58.01
COCC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007716420	0	34	-1.0	-50.75	307.37	1.76	-48.99
COCC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007716421	0	32	-1.0	-45.04	311.73	2.71	-42.33
COCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007716422	0	32	-1.0	-59.00	307.71	2.61	-56.39
COCC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007716423	0	36	-1.0	-68.69	331.82	-0.79	-69.48
COCC(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300007716424	0	32	-1.0	-44.21	308.91	2.67	-41.54
COCC(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007716425	0	32	-1.0	-54.26	300.96	2.82	-51.44
COCC1=CC=CC=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716426	0	36	-1.0	-55.79	315.18	1.48	-54.31
COCC(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300007716427	0	33	-1.0	-53.01	317.06	1.32	-51.69
COCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300007716428	0	37	-1.0	-47.80	341.89	1.09	-46.71
COCC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007716429	0	32	-1.0	-49.80	310.15	0.46	-49.34
COCC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007716430	0	32	-1.0	-48.63	304.12	0.30	-48.33
COCC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007716431	0	40	-1.0	-48.09	345.55	2.67	-45.42
COCC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007716432	0	32	-1.0	-49.90	308.31	0.49	-49.41
COCC(NS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300007716433	0	32	-1.0	-56.56	312.50	2.98	-53.58
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716434	0	41	-1.0	-60.38	371.00	0.54	-59.84
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(COC)C(=O)[O-])=C1	REAL300007716435	0	46	-1.0	-53.01	404.85	1.13	-51.88
COCC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007716436	0	33	-1.0	-48.08	304.10	2.51	-45.57
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716437	0	46	-1.0	-67.12	410.21	-0.17	-67.29
COCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007716438	0	37	-1.0	-58.69	346.23	-1.90	-60.59
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C(OC)=C1	REAL300007716439	0	44	-1.0	-65.23	391.58	-1.20	-66.43
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C(F)=C1	REAL300007716440	0	43	-1.0	-60.34	390.49	-0.15	-60.49
COCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007716441	0	40	-1.0	-69.86	348.31	1.39	-68.47
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1F	REAL300007716442	0	43	-1.0	-57.31	389.06	-0.19	-57.50
COCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007716443	0	44	-1.0	-51.91	363.18	2.20	-49.71
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1F	REAL300007716444	0	40	-1.0	-57.59	367.56	-0.98	-58.57
CCC1=CC=C(CS(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716445	0	38	-1.0	-45.24	330.34	3.49	-41.75
COCC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007716446	0	44	-1.0	-59.68	381.03	1.76	-57.92
COCC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007716447	0	41	-1.0	-58.98	359.14	1.37	-57.61
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(COC)C(=O)[O-])=C1	REAL300007716448	0	38	-1.0	-55.75	350.03	-0.15	-55.90
COCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300007716449	0	39	-1.0	-50.94	357.16	-1.29	-52.23
COCC(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007716450	0	38	-1.0	-46.19	325.87	3.25	-42.94
CCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1Br	REAL300007716451	0	36	-1.0	-53.75	339.04	2.22	-51.53
COCC(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007716452	0	43	-1.0	-59.42	375.31	4.41	-55.01
COCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007716453	0	33	-1.0	-45.69	322.93	1.98	-43.71
COCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007716454	0	35	-1.0	-55.56	347.63	-0.52	-56.08
COCC(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300007716455	0	36	-1.0	-48.24	336.63	1.96	-46.28
COCC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007716456	0	43	-1.0	-49.31	381.11	3.36	-45.95
COCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300007716457	0	36	-1.0	-46.49	333.77	2.40	-44.09
COCC(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007716458	0	41	-1.0	-48.87	358.83	2.96	-45.91
CCS(=O)(=O)NCCS(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716459	0	36	-1.0	-50.21	330.52	-3.87	-54.08
COCC(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007716460	0	35	-1.0	-56.61	322.26	2.64	-53.97
COCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007716461	0	32	-1.0	-45.75	323.74	3.36	-42.39
COCC(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007716462	0	35	-1.0	-45.12	328.67	4.13	-40.99
COCC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007716463	0	32	-1.0	-55.26	321.71	3.27	-51.99
COCC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007716464	0	35	-1.0	-48.15	320.79	4.12	-44.03
COCC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007716465	0	35	-1.0	-58.40	328.19	3.15	-55.25
COCC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007716466	0	40	-1.0	-47.56	347.83	2.71	-44.85
COCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007716467	0	43	-1.0	-59.86	383.63	4.72	-55.14
COCC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007716468	0	42	-1.0	-60.59	374.58	2.92	-57.67
COCC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007716469	0	40	-1.0	-47.89	363.70	-1.61	-49.50
COCC(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300007716470	0	38	-1.0	-49.39	339.18	4.42	-44.97
COCC(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300007716471	0	40	-1.0	-55.87	341.77	2.00	-53.87
COCC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007716472	0	35	-1.0	-60.35	328.48	3.29	-57.06
COCC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007716473	0	34	-1.0	-48.13	290.81	-1.79	-49.92
COCC(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007716474	0	42	-1.0	-45.47	348.43	1.79	-43.68
COCC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300007716475	0	36	-1.0	-58.18	329.36	2.03	-56.15
COCC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007716476	0	38	-1.0	-53.05	348.14	-0.44	-53.49
COCC(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300007716477	0	33	-1.0	-53.62	322.35	2.82	-50.80
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716478	0	41	-1.0	-54.85	339.95	1.81	-53.04
COCC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007716479	0	37	-1.0	-49.52	339.26	-0.02	-49.54
CCC1=NOC2=NC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C12	REAL300007716480	0	36	-1.0	-48.24	329.10	-0.85	-49.09
COCC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007716481	0	40	-1.0	-51.88	363.84	1.15	-50.73
COCC(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007716482	0	34	-1.0	-54.32	311.51	0.47	-53.85
COCC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007716483	0	35	-1.0	-45.06	333.39	4.28	-40.78
CCC1=CC(CC)=C(S(=O)(=O)NC(COC)C(=O)[O-])C(CC)=C1	REAL300007716484	0	47	-1.0	-45.98	368.64	6.02	-39.96
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716485	1	44	-1.0	-69.00	388.64	-1.64	-70.64
COCC(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007716486	0	36	-1.0	-55.02	311.97	1.41	-53.61
COCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007716487	0	35	-1.0	-52.79	335.83	-0.57	-53.36
COCC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007716488	0	38	-1.0	-68.16	334.25	5.23	-62.93
COCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300007716489	0	36	-1.0	-54.41	317.51	1.65	-52.76
COCC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007716490	0	38	-1.0	-45.63	322.19	2.67	-42.96
COCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007716492	0	37	-1.0	-50.15	337.55	2.70	-47.45
COCC1=CC(Cl)=CC(S(=O)(=O)NC(COC)C(=O)[O-])=C1	REAL300007716493	0	36	-1.0	-45.32	339.90	1.65	-43.67
COCC(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300007716494	0	35	-1.0	-60.39	317.66	2.75	-57.64
COCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007716496	0	29	-1.0	-42.34	300.67	1.61	-40.73
COCC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007716497	0	42	-1.0	-45.70	355.42	4.67	-41.03
COCC(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007716498	0	40	-1.0	-60.12	349.05	2.05	-58.07
COCC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007716499	0	38	-1.0	-50.89	327.81	-1.45	-52.34
COCC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007716500	0	32	-1.0	-55.87	304.71	1.82	-54.05
COCC(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007716501	0	34	-1.0	-45.05	312.46	0.55	-44.50
COCC(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300007716502	0	41	-1.0	-47.06	346.32	3.00	-44.06
COCC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007716503	0	40	-1.0	-60.87	339.92	-1.51	-62.38
COCC(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007716504	0	38	-1.0	-57.14	320.45	2.51	-54.63
COCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1)C(=O)[O-]	REAL300007716505	0	44	-1.0	-58.43	390.71	4.57	-53.86
COCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300007716506	0	48	-1.0	-54.19	408.69	2.11	-52.08
CCC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007716507	0	37	-1.0	-61.41	329.56	3.18	-58.23
COCC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007716508	0	29	-1.0	-53.32	288.49	1.97	-51.35
COCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007716509	0	31	-1.0	-52.28	295.40	2.02	-50.26
COCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007716510	0	35	-1.0	-58.02	313.05	3.62	-54.40
COCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007716511	0	31	-1.0	-54.44	295.55	1.99	-52.45
COCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300007716512	0	34	-1.0	-61.85	311.40	2.95	-58.90
COCC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007716513	0	31	-1.0	-63.14	285.71	2.88	-60.26
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716514	0	36	-1.0	-45.69	337.20	2.76	-42.93
CCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716515	0	36	-1.0	-55.56	318.51	1.58	-53.98
COCC(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300007716516	0	41	-1.0	-45.94	326.30	4.04	-41.90
COCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300007716517	0	38	-1.0	-46.53	316.67	3.69	-42.84
COCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300007716518	0	44	-1.0	-59.01	359.25	4.64	-54.37
COCC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007716519	0	32	-1.0	-54.04	305.93	2.35	-51.69
COCC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007716520	0	32	-1.0	-58.01	291.95	2.89	-55.12
COCC(NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300007716521	0	34	-1.0	-59.87	308.37	1.76	-58.11
COCC(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007716522	0	35	-1.0	-62.76	322.79	2.06	-60.70
COCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007716523	0	41	-1.0	-56.23	343.41	3.68	-52.55
COCC(NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300007716524	0	38	-1.0	-56.35	327.40	3.28	-53.07
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716525	0	46	-1.0	-57.75	403.96	1.07	-56.68
COCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007716526	0	40	-1.0	-58.33	363.49	-0.69	-59.02
CCCC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716527	0	38	-1.0	-56.53	331.73	3.54	-52.99
COCC(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300007716528	0	33	-1.0	-54.13	317.19	1.29	-52.84
COCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007716529	0	35	-1.0	-51.27	345.00	3.38	-47.89
COCC(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300007716530	0	32	-1.0	-53.46	306.81	2.51	-50.95
COCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300007716531	0	43	-1.0	-55.15	377.29	4.86	-50.29
COCC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007716532	0	33	-1.0	-53.66	313.17	1.13	-52.53
COCC(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300007716533	0	44	-1.0	-56.83	341.19	4.42	-52.41
COCC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007716534	0	38	-1.0	-56.11	329.96	1.29	-54.82
COCC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300007716535	0	45	-1.0	-61.72	372.98	3.47	-58.25
COCC(NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300007716536	0	36	-1.0	-50.99	343.54	3.80	-47.19
COCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007716537	0	34	-1.0	-61.47	311.36	2.54	-58.93
COCC(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300007716538	0	33	-1.0	-45.46	315.34	1.84	-43.62
COCC(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300007716539	0	47	-1.0	-45.79	367.89	5.19	-40.60
COCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007716540	0	32	-1.0	-52.99	306.02	2.32	-50.67
COCC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007716541	0	39	-1.0	-47.66	330.57	3.93	-43.73
COCC(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300007716542	0	37	-1.0	-50.32	325.84	0.52	-49.80
COCC(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300007716543	0	37	-1.0	-56.20	326.00	0.52	-55.68
COCC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007716544	0	37	-1.0	-57.07	323.01	3.77	-53.30
COCC(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007716545	0	34	-1.0	-48.20	304.03	1.27	-46.93
COCC(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300007716546	0	44	-1.0	-56.42	370.66	4.86	-51.56
CCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1OCC	REAL300007716547	0	43	-1.0	-55.71	369.58	2.40	-53.31
COCC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007716548	0	34	-1.0	-59.86	321.44	-3.69	-63.55
COCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300007716549	0	37	-1.0	-60.61	328.52	3.48	-57.13
COCC(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300007716550	0	37	-1.0	-53.17	313.58	3.15	-50.02
COCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007716551	0	35	-1.0	-59.09	315.30	2.17	-56.92
COCC(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300007716552	0	33	-1.0	-56.36	313.51	1.67	-54.69
COCC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007716553	0	34	-1.0	-52.59	322.34	-3.63	-56.22
COCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007716554	0	41	-1.0	-59.57	376.33	-0.83	-60.40
COCC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007716555	0	37	-1.0	-47.46	335.03	2.98	-44.48
COCC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007716556	0	38	-1.0	-54.80	320.53	2.50	-52.30
COCC(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300007716557	0	37	-1.0	-48.67	319.23	2.54	-46.13
COCC(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007716558	0	37	-1.0	-61.44	324.80	4.11	-57.33
COCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007716559	0	40	-1.0	-52.45	363.36	-0.56	-53.01
COCC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007716560	0	41	-1.0	-57.71	353.98	0.76	-56.95
COCC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007716561	0	35	-1.0	-56.36	328.56	-1.04	-57.40
COCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007716562	0	39	-1.0	-62.68	337.22	4.97	-57.71
COCC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007716563	0	35	-1.0	-60.30	309.37	3.77	-56.53
COCC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007716564	0	39	-1.0	-57.22	341.49	4.73	-52.49
COCC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007716565	0	43	-1.0	-57.59	362.79	3.62	-53.97
COCC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007716566	0	30	-1.0	-59.33	293.12	-0.29	-59.62
COCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007716567	0	33	-1.0	-45.48	310.77	1.73	-43.75
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716568	0	44	-1.0	-56.20	357.63	4.14	-52.06
COCC(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300007716569	0	32	-1.0	-56.61	302.61	2.46	-54.15
COCC(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300007716570	0	39	-1.0	-56.21	336.59	2.17	-54.04
COCC(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007716571	0	30	-1.0	-65.95	277.16	0.19	-65.76
COCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007716572	0	34	-1.0	-54.95	324.41	3.88	-51.07
COCC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007716573	0	34	-1.0	-52.59	292.20	2.51	-50.08
COCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007716574	0	40	-1.0	-57.10	372.67	4.74	-52.36
COCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300007716575	0	35	-1.0	-54.12	324.83	1.85	-52.27
COCC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300007716576	0	33	-1.0	-54.36	302.86	0.72	-53.64
COCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007716577	0	40	-1.0	-54.61	372.59	4.71	-49.90
COCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300007716578	0	44	-1.0	-55.51	385.36	3.48	-52.03
COCC(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300007716579	0	56	-1.0	-46.60	427.45	7.40	-39.20
COCC(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300007716580	0	45	-1.0	-48.90	372.10	4.52	-44.38
COCC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007716581	0	32	-1.0	-42.54	322.35	3.07	-39.47
COCC(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300007716582	0	39	-1.0	-50.41	337.92	3.10	-47.31
COCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007716583	0	34	-1.0	-52.64	311.36	2.93	-49.71
COCC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007716584	0	34	-1.0	-53.79	305.44	2.78	-51.01
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716585	0	37	-1.0	-61.78	328.63	3.82	-57.96
COCC(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300007716586	0	41	-1.0	-56.58	348.46	4.01	-52.57
COCCC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716587	0	39	-1.0	-56.70	343.89	1.83	-54.87
COCCN(CCOC)S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716588	0	41	-1.0	-45.16	341.18	-1.37	-46.53
COCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007716589	0	32	-1.0	-57.43	299.78	2.83	-54.60
COCC(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300007716590	0	39	-1.0	-47.32	339.77	2.28	-45.04
COCC(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300007716591	0	45	-1.0	-55.73	379.06	3.68	-52.05
COCC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007716592	0	43	-1.0	-55.14	361.94	3.54	-51.60
COCC(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300007716593	0	42	-1.0	-55.97	360.23	3.04	-52.93
CCCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716594	0	39	-1.0	-55.94	339.99	2.38	-53.56
COCC(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300007716595	0	33	-1.0	-54.16	312.80	1.18	-52.98
COCC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007716596	0	33	-1.0	-55.00	322.55	1.45	-53.55
COCC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300007716597	0	36	-1.0	-56.03	316.70	1.39	-54.64
COCC(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300007716598	0	42	-1.0	-55.60	356.64	2.91	-52.69
COCC(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300007716599	0	36	-1.0	-56.60	312.51	1.61	-54.99
COCCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716600	0	40	-1.0	-58.44	352.12	0.85	-57.59
COCC(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007716601	0	32	-1.0	-54.00	304.29	2.92	-51.08
COCC(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300007716602	0	37	-1.0	-53.11	316.67	4.28	-48.83
COCC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300007716603	0	38	-1.0	-67.77	343.90	-0.20	-67.97
COCC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007716604	0	41	-1.0	-58.10	376.17	-0.80	-58.90
COCC(NS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007716605	0	32	-1.0	-56.06	305.06	2.72	-53.34
COCC(NS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300007716606	0	33	-1.0	-53.21	303.00	0.69	-52.52
COCC(NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007716607	0	39	-1.0	-49.25	342.30	4.83	-44.42
COCC(NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007716608	0	32	-1.0	-58.51	324.22	3.07	-55.44
COCC(NS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300007716609	0	35	-1.0	-48.04	345.64	1.96	-46.08
COCC(NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007716610	0	49	-1.0	-55.04	401.74	4.97	-50.07
CNC(=O)C1=CC(S(=O)(=O)NC(COC)C(=O)[O-])=CN1C	REAL300007716611	0	37	-1.0	-48.26	330.13	-0.94	-49.20
COCC(NS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300007716612	0	39	-1.0	-47.08	323.23	2.20	-44.88
COCC(NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007716613	0	40	-1.0	-50.60	352.33	5.53	-45.07
COCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300007716614	0	39	-1.0	-57.79	332.59	2.34	-55.45
COCC(NS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300007716615	0	37	-1.0	-57.57	313.44	2.54	-55.03
COCC(NS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007716616	0	34	-1.0	-59.72	304.68	1.96	-57.76
CCN1C=C(S(=O)(=O)NC(COC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007716617	0	34	-1.0	-57.47	318.41	2.28	-55.19
COCC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007716618	0	36	-1.0	-56.47	338.09	2.04	-54.43
COCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007716619	0	43	-1.0	-56.56	378.42	4.63	-51.93
CCC(=O)C1=CC=CC(S(=O)(=O)NC(COC)C(=O)[O-])=C1	REAL300007716620	0	37	-1.0	-51.94	331.18	2.69	-49.25
COCC(NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007716621	0	39	-1.0	-48.78	354.08	2.98	-45.80
COCC(NS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300007716622	0	51	-1.0	-44.79	401.05	4.22	-40.57
COCC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007716623	0	37	-1.0	-60.92	344.37	-2.06	-62.98
COCC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007716624	0	44	-1.0	-54.08	388.13	0.52	-53.56
CCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C2=CC=CC=C12	REAL300007716625	0	42	-1.0	-49.00	354.31	3.89	-45.11
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716626	0	39	-1.0	-49.59	339.72	2.78	-46.81
COCC(NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007716627	0	34	-1.0	-64.68	315.60	1.50	-63.18
COCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007716628	0	36	-1.0	-50.75	326.76	2.52	-48.23
CCOCCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716629	0	43	-1.0	-58.56	374.11	1.78	-56.78
CCCCCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716630	0	45	-1.0	-55.88	383.12	3.91	-51.97
COCC(NS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007716631	0	39	-1.0	-58.11	324.10	4.08	-54.03
COCC(NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007716632	0	33	-1.0	-54.37	323.56	2.81	-51.56
COCC(NS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300007716633	0	34	-1.0	-56.80	303.13	0.65	-56.15
COCC(NS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007716634	0	37	-1.0	-56.12	330.33	2.63	-53.49
COCC(NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007716635	0	34	-1.0	-61.78	315.57	1.50	-60.28
CCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C(C)=C1	REAL300007716636	0	39	-1.0	-56.36	334.50	2.50	-53.86
COCC(NS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007716637	0	33	-1.0	-58.64	306.39	1.45	-57.19
COCC(NS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300007716638	0	33	-1.0	-55.36	307.38	2.36	-53.00
COCC(NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007716639	0	35	-1.0	-45.32	329.49	3.12	-42.20
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716640	0	40	-1.0	-43.58	336.87	3.22	-40.36
COCC(NS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007716641	0	35	-1.0	-50.42	311.20	1.10	-49.32
COCC(NS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007716642	0	34	-1.0	-50.09	304.83	1.83	-48.26
COCC(NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007716643	0	41	-1.0	-49.94	361.71	3.39	-46.55
COCC(NS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300007716644	0	35	-1.0	-57.31	321.58	2.86	-54.45
COCC(NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007716645	0	35	-1.0	-48.95	340.94	2.16	-46.79
COCC(NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007716646	0	38	-1.0	-59.20	332.14	2.91	-56.29
COCC(NS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300007716647	0	37	-1.0	-53.84	333.51	1.07	-52.77
COCC1=CC=CC(S(=O)(=O)NC(COC)C(=O)[O-])=C1	REAL300007716648	0	36	-1.0	-58.01	322.40	1.04	-56.97
COCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007716649	0	40	-1.0	-49.72	328.10	3.11	-46.61
COCC(NS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007716650	0	32	-1.0	-59.40	304.51	2.49	-56.91
COCC(NS(=O)(=O)C1=CC(Br)=C(OC)C=C1OC)C(=O)[O-]	REAL300007716651	0	37	-1.0	-47.83	346.28	1.20	-46.63
COCC(NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007716652	0	37	-1.0	-59.43	330.15	2.05	-57.38
COCC(NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007716653	0	32	-1.0	-48.88	317.34	2.99	-45.89
COCC(NS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007716654	0	37	-1.0	-48.46	325.16	2.03	-46.43
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716655	0	41	-1.0	-43.71	318.80	4.36	-39.35
COCC(NS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300007716656	0	41	-1.0	-44.12	350.13	0.24	-43.88
COCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007716657	0	40	-1.0	-56.12	372.60	4.71	-51.41
COCC(NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007716658	0	35	-1.0	-51.47	321.05	2.49	-48.98
COCC(NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007716659	0	35	-1.0	-48.90	351.26	2.61	-46.29
COCC(NS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300007716660	0	38	-1.0	-58.74	343.56	0.42	-58.32
COCC(NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007716661	0	32	-1.0	-55.28	307.87	0.35	-54.93
COCC(NS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007716662	0	32	-1.0	-47.54	294.16	0.07	-47.47
COCC(NS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007716663	0	37	-1.0	-56.44	321.03	1.95	-54.49
COCC(NS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300007716664	0	39	-1.0	-49.83	348.16	3.19	-46.64
COCC(NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007716665	0	37	-1.0	-47.30	341.89	2.54	-44.76
COCC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300007716666	0	34	-1.0	-52.14	311.36	2.53	-49.61
COCC(NS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300007716667	0	40	-1.0	-61.37	355.88	2.09	-59.28
COCC(NS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007716668	0	31	-1.0	-55.84	299.21	0.81	-55.03
COCC(NS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007716669	0	37	-1.0	-58.54	319.70	1.78	-56.76
COCC(NS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300007716670	0	38	-1.0	-48.61	333.48	4.33	-44.28
COCC(NS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007716671	0	37	-1.0	-57.77	318.69	1.75	-56.02
COCC(NS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300007716672	0	34	-1.0	-50.82	302.41	1.18	-49.64
COCC(NS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007716673	0	34	-1.0	-61.73	314.15	1.41	-60.32
COCC(NS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300007716674	0	34	-1.0	-47.95	302.00	1.23	-46.72
COCC(NS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007716675	0	35	-1.0	-58.48	329.16	3.35	-55.13
COCC(NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007716676	0	41	-1.0	-57.43	341.37	1.90	-55.53
COCC(NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007716677	0	31	-1.0	-53.45	302.05	0.52	-52.93
COCC(NS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300007716678	0	37	-1.0	-65.54	319.41	1.91	-63.63
COCC(NS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007716679	0	37	-1.0	-52.52	327.19	3.46	-49.06
COCC(NS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300007716680	0	37	-1.0	-52.50	323.96	4.39	-48.11
COCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300007716681	0	37	-1.0	-61.76	328.04	3.38	-58.38
COCC(NS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007716682	0	39	-1.0	-59.81	341.80	2.15	-57.66
COCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007716683	0	38	-1.0	-47.07	341.10	3.06	-44.01
COCC(NS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300007716684	0	37	-1.0	-58.70	326.18	-0.04	-58.74
COCC(NS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300007716685	0	35	-1.0	-44.59	305.25	0.89	-43.70
COCC(NS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300007716686	0	33	-1.0	-53.10	312.67	1.21	-51.89
COCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007716687	0	37	-1.0	-65.02	316.21	2.90	-62.12
CCC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1CC	REAL300007716688	0	41	-1.0	-57.46	344.35	3.89	-53.57
COCC(NS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007716689	0	37	-1.0	-41.80	320.67	3.61	-38.19
COCC(NS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300007716690	0	39	-1.0	-50.67	326.79	2.97	-47.70
COCC(NS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007716691	0	30	-1.0	-43.79	290.96	-0.77	-44.56
COCC(NS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007716692	0	36	-1.0	-57.78	315.73	1.16	-56.62
COCC(NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007716693	0	35	-1.0	-50.94	310.99	3.16	-47.78
COCC(NS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007716694	0	32	-1.0	-50.64	293.54	0.05	-50.59
COCC(NS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300007716695	0	35	-1.0	-44.77	315.13	2.75	-42.02
COCC(NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007716696	0	36	-1.0	-64.57	323.29	1.07	-63.50
COCC(NS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007716697	0	31	-1.0	-61.89	299.58	0.82	-61.07
COCC(NS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007716698	0	32	-1.0	-43.18	307.16	2.62	-40.56
COCC(NS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300007716699	0	32	-1.0	-53.48	302.77	2.42	-51.06
COCC(NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007716700	0	35	-1.0	-67.25	315.27	2.33	-64.92
COCC(NS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300007716701	0	38	-1.0	-57.23	353.53	2.79	-54.44
COCC(NS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007716702	0	37	-1.0	-50.44	317.87	2.62	-47.82
COCC(NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007716703	0	36	-1.0	-64.05	332.30	-0.79	-64.84
COCC(NS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007716704	0	38	-1.0	-52.76	327.80	1.77	-50.99
COCC(NS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007716705	0	32	-1.0	-45.29	310.31	2.61	-42.68
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716706	0	54	-1.0	-55.83	447.48	6.28	-49.55
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716707	0	39	-1.0	-59.20	361.41	3.51	-55.69
CCC(C)OC1=CC=CC(S(=O)(=O)NC(COC)C(=O)[O-])=C1	REAL300007716708	0	42	-1.0	-48.58	358.13	3.08	-45.50
COCC(NS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300007716709	0	42	-1.0	-43.84	340.79	1.67	-42.17
COCC(NS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300007716710	0	45	-1.0	-46.52	358.35	2.41	-44.11
COCC(NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007716711	0	43	-1.0	-55.09	384.62	4.70	-50.39
CCCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1C(C)C	REAL300007716712	0	48	-1.0	-56.33	398.62	4.40	-51.93
CCC1=NC(S(=O)(=O)NC(COC)C(=O)[O-])=CN1CC1CC1	REAL300007716713	0	42	-1.0	-62.95	360.19	3.37	-59.58
COCC(NS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007716714	0	32	-1.0	-46.55	307.85	0.93	-45.62
COCC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007716715	0	37	-1.0	-53.63	332.53	3.73	-49.90
COCC(NS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007716716	0	36	-1.0	-53.37	311.18	1.14	-52.23
COCC(NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007716717	0	42	-1.0	-56.55	366.83	3.36	-53.19
COCC(NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007716718	0	32	-1.0	-50.68	305.26	-0.30	-50.98
COCC(NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007716719	0	40	-1.0	-56.28	367.78	5.45	-50.83
COCC(NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007716720	0	39	-1.0	-51.48	329.70	4.69	-46.79
COCC(NS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300007716721	0	49	-1.0	-48.48	421.53	6.29	-42.19
CCC1=CC(S(=O)(=O)NC(COC)C(=O)[O-])=C(C)C=C1OC	REAL300007716722	0	42	-1.0	-57.90	354.21	3.09	-54.81
COCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007716723	0	35	-1.0	-52.78	338.39	3.23	-49.55
COCC(NS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007716724	1	31	-1.0	-64.30	295.50	0.38	-63.92
COCC(NS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300007716725	0	38	-1.0	-50.61	318.31	4.48	-46.13
COCC(NS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300007716726	0	38	-1.0	-53.11	336.52	-0.13	-53.24
COCC(NS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300007716727	0	33	-1.0	-55.28	302.80	1.43	-53.85
CCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1C(C)C	REAL300007716728	0	45	-1.0	-56.77	377.12	3.60	-53.17
COCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007716729	0	41	-1.0	-56.48	345.37	3.61	-52.87
COCC(NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007716730	0	48	-1.0	-44.74	389.30	5.86	-38.88
COCC(NS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007716731	0	39	-1.0	-53.07	323.48	1.41	-51.66
COCC(NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007716732	0	41	-1.0	-60.38	340.10	1.73	-58.65
COCC(NS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007716733	0	39	-1.0	-50.46	335.50	1.78	-48.68
COCC(NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007716734	0	32	-1.0	-44.25	297.77	0.23	-44.02
COCC(NS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007716735	0	36	-1.0	-48.90	325.01	1.52	-47.38
C=CCCC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1	REAL300007716736	0	39	-1.0	-56.40	344.40	4.13	-52.27
CCCCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1C(C)C	REAL300007716737	0	51	-1.0	-54.99	420.12	5.18	-49.81
COCC(NS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007716738	0	33	-1.0	-45.80	316.74	3.12	-42.68
CCCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1C(C)(C)C	REAL300007716739	0	51	-1.0	-56.63	411.18	5.06	-51.57
CCCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1CC	REAL300007716740	0	45	-1.0	-56.14	381.69	3.87	-52.27
COCC(NS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300007716741	0	35	-1.0	-43.47	310.53	3.42	-40.05
COCC(NS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007716742	0	35	-1.0	-58.74	327.88	3.26	-55.48
COCC(NS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007716743	0	33	-1.0	-46.69	312.34	3.02	-43.67
CCCC1=CC=CC=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716744	0	38	-1.0	-58.61	321.21	3.94	-54.67
COCC(NS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007716745	0	45	-1.0	-55.20	381.66	4.12	-51.08
COCC(NS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007716746	0	34	-1.0	-60.07	304.56	1.95	-58.12
COCC(NS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300007716747	0	44	-1.0	-54.92	396.05	5.20	-49.72
COCC(NS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007716748	0	36	-1.0	-57.38	318.07	1.01	-56.37
COCC(NS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007716749	0	36	-1.0	-46.65	310.18	1.13	-45.52
COCC(NS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007716750	0	39	-1.0	-52.67	328.51	2.10	-50.57
COCC(NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007716751	0	40	-1.0	-47.39	327.01	-0.25	-47.64
COCC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007716752	0	35	-1.0	-55.71	334.83	2.29	-53.42
COCC(NS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007716753	0	36	-1.0	-50.10	307.40	1.36	-48.74
CCCCCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1C(C)C	REAL300007716754	0	54	-1.0	-54.89	441.60	5.96	-48.93
COCC(NS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300007716755	0	45	-1.0	-58.74	369.42	3.39	-55.35
COCC(NS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300007716756	0	39	-1.0	-46.59	342.78	2.82	-43.77
CCOCCOC1=CC=C(S(=O)(=O)NC(COC)C(=O)[O-])C=C1C(C)C	REAL300007716757	0	52	-1.0	-57.24	432.72	3.79	-53.45
COCC(NS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300007716758	0	37	-1.0	-61.84	325.60	1.98	-59.86
COCC(NS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007716759	0	37	-1.0	-54.16	336.73	1.04	-53.12
COCC(NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007716760	0	35	-1.0	-50.01	320.87	2.04	-47.97
COCC(NS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300007716761	0	34	-1.0	-67.15	308.59	0.96	-66.19
COCC(NS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300007716762	0	30	-1.0	-52.51	281.94	0.14	-52.37
COCC(NS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007716763	0	32	-1.0	-48.70	305.04	2.85	-45.85
COCC(NS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007716764	0	36	-1.0	-48.17	316.67	1.13	-47.04
COCC(NS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300007716765	0	38	-1.0	-46.13	320.30	3.68	-42.45
COCC(NS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300007716766	0	37	-1.0	-58.15	325.80	1.23	-56.92
COCC(NS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007716767	0	42	-1.0	-49.41	353.04	2.26	-47.15
COCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300007716768	0	41	-1.0	-54.66	342.76	1.83	-52.83
CCCCN1C=C(S(=O)(=O)NC(COC)C(=O)[O-])C(C)=N1	REAL300007716769	0	41	-1.0	-55.58	358.12	2.06	-53.52
COCC(NS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007716770	0	36	-1.0	-50.05	323.57	1.25	-48.80
COCC(NS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007716771	0	33	-1.0	-58.24	306.41	0.93	-57.31
COCC(NS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007716772	0	34	-1.0	-58.34	312.63	-0.17	-58.51
COCC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300007716773	0	35	-1.0	-57.47	322.55	3.48	-53.99
COCC(NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007716774	0	35	-1.0	-52.88	336.74	2.49	-50.39
COCC(NS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007716775	0	39	-1.0	-49.62	338.96	1.75	-47.87
COCC(NS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300007716776	0	47	-1.0	-59.48	379.87	5.32	-54.16
COCC(NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007716777	0	35	-1.0	-53.77	338.54	3.20	-50.57
COCC(NS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007716778	0	39	-1.0	-49.01	340.18	2.04	-46.97
COCC(NS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007716779	0	33	-1.0	-58.82	304.83	2.55	-56.27
COCC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007716780	0	40	-1.0	-59.85	366.91	4.19	-55.66
COCC(NS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007716781	0	38	-1.0	-74.60	330.98	2.72	-71.88
CCCC1=CC=CC(S(=O)(=O)NC(COC)C(=O)[O-])=C1	REAL300007716782	0	38	-1.0	-45.37	330.58	3.60	-41.77
COCC(NS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007716783	0	36	-1.0	-49.00	310.51	0.92	-48.08
COCC(NS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007716784	0	38	-1.0	-55.31	311.14	0.89	-54.42
COCC(NS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007716785	0	38	-1.0	-48.95	332.63	1.13	-47.82
COCC(NS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007716786	0	36	-1.0	-47.56	316.76	0.48	-47.08
COCC(NS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007716787	0	34	-1.0	-43.16	317.11	1.22	-41.94
COCC(NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007716788	0	32	-1.0	-41.83	313.25	2.49	-39.34
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(COC)C(=O)[O-])=C1	REAL300007716789	0	40	-1.0	-51.27	352.44	3.48	-47.79
COCC(NS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007716790	0	40	-1.0	-58.42	337.07	4.47	-53.95
COCC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007716791	0	35	-1.0	-54.70	330.95	2.40	-52.30
COCC(NS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007716792	0	35	-1.0	-47.47	309.39	1.84	-45.63
COCC(NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300007716793	0	39	-1.0	-54.01	363.40	2.12	-51.89
COCC(NS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007716794	0	29	-1.0	-55.57	286.80	1.77	-53.80
COCC(NS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007716795	0	39	-1.0	-56.30	335.21	1.89	-54.41
CCC(C)N1N=CC=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716796	0	38	-1.0	-54.66	323.57	0.96	-53.70
COCC(NS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007716797	0	43	-1.0	-45.73	338.53	2.41	-43.32
COCC(NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007716798	0	43	-1.0	-56.42	366.50	0.49	-55.93
COCC(NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007716799	0	35	-1.0	-55.43	320.54	2.85	-52.58
COCC(NS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007716800	0	33	-1.0	-47.97	307.11	1.01	-46.96
COCC(NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007716801	0	44	-1.0	-43.68	363.21	4.15	-39.53
COCC(NS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007716802	0	40	-1.0	-56.77	339.54	3.77	-53.00
COCC(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007716803	0	37	-1.0	-55.64	321.00	1.34	-54.30
CCOCC1=CC=CC(S(=O)(=O)NC(COC)C(=O)[O-])=C1	REAL300007716804	0	39	-1.0	-58.08	344.12	2.04	-56.04
COCC(NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007716805	0	32	-1.0	-47.39	325.47	3.43	-43.96
COCC(NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007716806	0	39	-1.0	-53.62	346.69	2.59	-51.03
COCC(NS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007716807	0	42	-1.0	-50.01	354.49	2.37	-47.64
COCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007716808	0	40	-1.0	-55.37	355.82	4.20	-51.17
COCC(NS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300007716809	0	35	-1.0	-45.10	325.80	3.16	-41.94
COCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300007716810	0	38	-1.0	-49.46	321.83	4.14	-45.32
COCC(NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007716811	0	39	-1.0	-58.07	342.70	2.86	-55.21
COCC(NS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007716812	0	33	-1.0	-56.54	306.71	2.65	-53.89
COCC(NS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007716813	0	33	-1.0	-45.76	321.30	3.22	-42.54
COCC(NS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007716814	0	33	-1.0	-55.99	321.59	3.20	-52.79
COCC(NS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007716815	0	34	-1.0	-45.07	309.87	-4.68	-49.75
COCC(NS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300007716816	0	35	-1.0	-59.65	303.93	1.86	-57.79
COCC(NS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007716817	0	31	-1.0	-56.37	298.06	0.74	-55.63
COCC(NS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007716818	0	38	-1.0	-55.62	338.12	1.25	-54.37
COCC(NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007716819	0	46	-1.0	-45.24	343.67	4.26	-40.98
COCC(NS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300007716820	0	32	-1.0	-67.21	298.16	-2.99	-70.20
COCC(NS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007716821	0	37	-1.0	-49.26	305.66	1.85	-47.41
COCC(NS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007716822	0	37	-1.0	-57.23	337.15	-1.80	-59.03
COCC(NS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007716823	0	42	-1.0	-61.10	341.30	1.70	-59.40
COCC(NS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007716824	0	33	-1.0	-66.87	315.02	0.38	-66.49
COCC(NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007716825	0	39	-1.0	-61.15	349.10	4.19	-56.96
COCC(NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007716826	0	38	-1.0	-65.08	321.08	-1.24	-66.32
COCC(NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007716827	0	42	-1.0	-43.57	331.03	3.32	-40.25
COCC(NS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007716828	0	33	-1.0	-57.30	311.68	2.70	-54.60
COCC(NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007716829	0	51	-1.0	-57.76	396.77	5.52	-52.24
COCC(NS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007716830	0	40	-1.0	-57.70	341.63	2.38	-55.32
COCC(NS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300007716831	0	34	-1.0	-59.77	318.27	-0.73	-60.50
COCC(NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300007716832	0	41	-1.0	-56.51	326.42	1.74	-54.77
COCC(NS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007716833	0	40	-1.0	-42.53	336.73	3.05	-39.48
COCC(NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007716834	0	33	-1.0	-60.54	312.29	1.66	-58.88
COCC(NS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007716835	0	33	-1.0	-46.33	303.74	0.96	-45.37
COCC(NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007716836	0	33	-1.0	-59.02	312.62	1.00	-58.02
COCC(NS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007716837	0	35	-1.0	-55.06	311.27	1.28	-53.78
COCC(NS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300007716838	0	36	-1.0	-51.99	319.91	3.16	-48.83
COCC(NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007716839	0	38	-1.0	-44.25	345.06	1.87	-42.38
COCC(NS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007716840	0	42	-1.0	-57.47	356.05	3.66	-53.81
COCC(NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007716841	0	40	-1.0	-56.79	355.88	4.19	-52.60
COCC(NS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007716842	0	35	-1.0	-64.76	304.30	3.34	-61.42
COCC(NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007716843	0	30	-1.0	-46.10	294.45	0.30	-45.80
C=C(C)COC1=CC=CC(S(=O)(=O)NC(COC)C(=O)[O-])=C1	REAL300007716844	0	40	-1.0	-48.10	351.53	3.06	-45.04
CCN1C=C(S(=O)(=O)NC(COC)C(=O)[O-])C(C2CC2)=N1	REAL300007716845	0	39	-1.0	-50.72	345.69	2.15	-48.57
COCC(NS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300007716846	0	33	-1.0	-66.06	306.41	0.79	-65.27
COCC(NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007716847	0	35	-1.0	-45.20	328.83	4.18	-41.02
COCC(NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007716848	0	39	-1.0	-46.01	357.12	5.32	-40.69
COCC(NS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007716849	0	28	-1.0	-50.70	285.88	-0.14	-50.84
CCC1=CC(S(=O)(=O)NC(COC)C(=O)[O-])=CC=C1Br	REAL300007716850	0	35	-1.0	-53.49	326.19	3.23	-50.26
COCC(NS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007716851	0	42	-1.0	-47.42	352.81	2.56	-44.86
COCCC1=CC=C(OC)C(S(=O)(=O)NC(COC)C(=O)[O-])=C1	REAL300007716852	0	43	-1.0	-48.79	372.93	1.73	-47.06
COCC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007716853	0	35	-1.0	-47.61	321.66	4.15	-43.46
COCC(NS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007716854	0	37	-1.0	-50.50	315.94	-0.90	-51.40
COCC(NS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300007716855	0	35	-1.0	-48.48	332.94	1.24	-47.24
COCC(NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007716856	0	44	-1.0	-55.90	369.19	1.70	-54.20
COCC(NS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300007716857	0	32	-1.0	-43.84	292.84	-0.66	-44.50
COCC(NS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300007716858	0	35	-1.0	-46.36	315.42	-1.17	-47.53
COCC(NS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300007716859	0	38	-1.0	-49.33	335.52	1.53	-47.80
COCC(NS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300007716860	0	38	-1.0	-55.67	332.01	1.08	-54.59
COCC(NS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007716861	0	39	-1.0	-41.33	320.15	-1.09	-42.42
COCC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007716862	0	34	-1.0	-57.62	320.41	3.58	-54.04
COCC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007716863	0	40	-1.0	-60.66	340.89	1.77	-58.89
COCC(NS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007716864	0	36	-1.0	-55.66	322.71	1.44	-54.22
COCC(NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007716865	0	36	-1.0	-59.85	316.78	2.42	-57.43
COCC(NS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300007716866	0	31	-1.0	-60.39	296.68	0.30	-60.09
COCC(NS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300007716867	0	34	-1.0	-65.99	301.62	1.73	-64.26
COCC(NS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300007716868	0	38	-1.0	-59.60	331.60	1.20	-58.40
COCC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300007716869	0	43	-1.0	-55.30	376.00	4.91	-50.39
COCC(NS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007716870	0	34	-1.0	-56.05	298.28	2.46	-53.59
COCC(NS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007716871	0	32	-1.0	-41.61	299.71	1.14	-40.47
COCC(NS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007716872	0	37	-1.0	-62.87	323.35	-2.92	-65.79
COCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300007716873	0	36	-1.0	-61.22	316.93	2.12	-59.10
COCC(NS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300007716874	0	35	-1.0	-43.06	317.27	-0.46	-43.52
COCC(NS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300007716875	0	34	-1.0	-56.20	305.10	1.81	-54.39
CCOC1=CC=CN=C1S(=O)(=O)NC(COC)C(=O)[O-]	REAL300007716876	0	35	-1.0	-64.73	310.26	0.66	-64.07
COCC(NS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007716877	0	37	-1.0	-65.16	326.12	2.56	-62.60
COCC(NS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300007716878	0	31	-1.0	-52.10	296.39	0.40	-51.70
COCC(NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007716879	0	36	-1.0	-56.24	341.18	2.32	-53.92
COCC(NS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300007716880	0	42	-1.0	-48.85	354.98	3.43	-45.42
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=CC=C1	REAL300007716881	0	41	-1.0	-55.39	332.14	6.06	-49.33
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=CC(F)=C1	REAL300007716882	0	41	-1.0	-42.26	343.09	6.33	-35.93
CC(=O)C1=CC=CC(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300007716883	0	46	-1.0	-49.94	379.45	6.75	-43.19
CCCCN(C)S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716884	0	48	-1.0	-41.59	377.12	5.90	-35.69
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=CS1	REAL300007716885	0	38	-1.0	-55.24	324.42	5.09	-50.15
CCC(C)C1=CC=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300007716886	0	53	-1.0	-44.01	413.06	8.81	-35.20
CC1=CC=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])S1	REAL300007716887	0	41	-1.0	-44.52	350.45	6.05	-38.47
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=C(Cl)S1	REAL300007716888	0	38	-1.0	-39.89	343.35	5.85	-34.04
COC1=CC=C(C)C=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716889	0	48	-1.0	-59.55	380.45	7.05	-52.50
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007716890	0	45	-1.0	-44.32	377.32	6.89	-37.43
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)N1CCOCC1	REAL300007716891	0	44	-1.0	-38.92	332.77	2.68	-36.24
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300007716892	0	47	-1.0	-58.75	391.88	3.53	-55.22
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007716893	0	45	-1.0	-49.99	378.31	5.81	-44.18
COC1=CC(C)=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1OC	REAL300007716894	0	52	-1.0	-52.07	395.52	6.17	-45.90
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716895	0	44	-1.0	-51.47	355.16	7.57	-43.90
CN1C=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=N1	REAL300007716896	0	41	-1.0	-44.91	340.88	3.98	-40.93
CCN(CC)S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716897	0	45	-1.0	-41.29	346.07	5.02	-36.27
CN(C1CCCCC1)S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716898	0	52	-1.0	-42.02	386.08	6.56	-35.46
CC1=NN(C)C(C)=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716899	0	47	-1.0	-47.48	371.02	5.25	-42.23
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007716900	0	57	-1.0	-54.38	429.34	9.67	-44.71
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007716901	0	47	-1.0	-54.15	375.91	5.14	-49.01
CCC1=CC=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300007716902	0	47	-1.0	-54.91	374.32	7.43	-47.48
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=CC=C1Br	REAL300007716903	0	41	-1.0	-56.34	336.55	6.90	-49.44
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007716904	0	41	-1.0	-41.93	357.98	6.88	-35.05
CC1=NNC=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716905	0	41	-1.0	-53.98	330.93	3.16	-50.82
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716906	0	46	-1.0	-49.18	369.35	8.54	-40.64
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007716907	0	47	-1.0	-41.94	396.10	8.23	-33.71
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716908	0	51	-1.0	-45.62	417.38	2.77	-42.85
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300007716909	0	52	-1.0	-43.36	416.99	8.05	-35.31
CC1=CC(F)=CC(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300007716910	0	44	-1.0	-44.70	364.50	6.99	-37.71
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)CCC1CC1	REAL300007716911	0	44	-1.0	-55.51	348.83	6.13	-49.38
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007716912	0	47	-1.0	-52.12	380.19	6.58	-45.54
COCC1=CC=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300007716913	0	48	-1.0	-55.28	386.25	5.74	-49.54
CCOC1=CC=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=N1	REAL300007716914	0	47	-1.0	-51.95	381.92	3.58	-48.37
CS(=O)(=O)CCCS(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716915	0	46	-1.0	-48.77	383.09	2.25	-46.52
COC1=CC=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C(C)=C1C	REAL300007716916	0	51	-1.0	-54.75	377.74	6.23	-48.52
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007716917	0	46	-1.0	-48.72	377.30	6.68	-42.04
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)CC1=NOC=C1	REAL300007716918	0	40	-1.0	-61.39	330.61	4.08	-57.31
CC1=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=NN1C	REAL300007716919	0	44	-1.0	-51.71	349.76	4.17	-47.54
CS(=O)(=O)N1CCN(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])CC1	REAL300007716920	0	51	-1.0	-59.51	400.72	1.48	-58.03
CN(C1CCOCC1)S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716921	0	50	-1.0	-41.48	378.34	4.21	-37.27
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)N1CC2CCC1C2	REAL300007716922	0	47	-1.0	-43.97	362.42	5.75	-38.22
CC1=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007716923	0	50	-1.0	-54.80	398.25	7.57	-47.23
CCN1N=C(C)C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1C	REAL300007716924	0	50	-1.0	-47.47	392.75	6.12	-41.35
CC(C)N1C=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=N1	REAL300007716925	0	47	-1.0	-45.97	381.46	5.35	-40.62
CC(C)CN1C=NC(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300007716926	0	50	-1.0	-53.81	395.66	8.02	-45.79
CC(C)N1C=NC(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300007716927	0	47	-1.0	-54.32	376.56	7.15	-47.17
CC(C)C1=NC(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=CN1	REAL300007716928	0	47	-1.0	-63.78	375.21	4.66	-59.12
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716929	0	53	-1.0	-59.03	382.72	8.28	-50.75
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300007716930	0	49	-1.0	-52.47	402.69	5.69	-46.78
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)CC1CCCOC1	REAL300007716931	0	48	-1.0	-41.64	368.98	4.94	-36.70
CC1=C(F)C=CC=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716932	0	44	-1.0	-54.35	347.93	6.72	-47.63
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007716933	0	47	-1.0	-44.01	388.51	8.92	-35.09
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007716934	0	45	-1.0	-52.13	376.89	5.63	-46.50
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716935	0	56	-1.0	-48.36	434.84	7.71	-40.65
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007716936	0	44	-1.0	-53.23	363.37	6.88	-46.35
COCC1=CC=C(OC)C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300007716937	0	52	-1.0	-60.22	414.14	6.10	-54.12
COCCC(C)S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716938	0	47	-1.0	-55.84	353.62	4.04	-51.80
COC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716939	0	45	-1.0	-55.97	365.43	6.46	-49.51
CCC(C)CS(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716940	0	46	-1.0	-41.03	353.41	6.09	-34.94
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007716941	0	59	-1.0	-53.51	415.30	7.57	-45.94
CC1=NC2=C(S(=O)(=O)NC(CC3CCCCC3)C(=O)[O-])C=CC=C2C=C1	REAL300007716942	0	49	-1.0	-53.82	394.16	7.84	-45.98
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007716943	0	49	-1.0	-52.60	398.83	8.10	-44.50
CCN(CC1CC1)S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716944	0	49	-1.0	-42.02	382.18	6.72	-35.30
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007716945	0	52	-1.0	-47.43	413.49	4.82	-42.61
CCCN1C=NC(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300007716946	0	47	-1.0	-52.32	374.99	7.77	-44.55
COCCOCCOCCS(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716947	0	55	-1.0	-48.58	443.73	3.53	-45.05
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)CCOCC1CC1	REAL300007716948	0	48	-1.0	-53.39	383.67	5.38	-48.01
CC(COC1CCCC1)CS(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716949	0	57	-1.0	-56.89	432.44	7.47	-49.42
COCC(C)CS(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716950	0	47	-1.0	-40.87	369.26	4.53	-36.34
CCOCC(C)CS(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716951	0	50	-1.0	-40.95	391.12	5.51	-35.44
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007716952	0	49	-1.0	-45.36	394.37	4.03	-41.33
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007716953	0	45	-1.0	-51.30	375.19	6.72	-44.58
COC1=CC(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007716954	0	47	-1.0	-49.79	386.94	6.73	-43.06
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716955	0	47	-1.0	-50.67	377.53	8.09	-42.58
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716956	0	47	-1.0	-50.11	381.11	7.64	-42.47
CC1=CC(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007716957	0	47	-1.0	-50.49	385.85	7.51	-42.98
CC(C)C1=CC=CC=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716958	0	50	-1.0	-58.29	384.92	8.02	-50.27
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)CCCN1CCOCC1	REAL300007716959	0	53	-1.0	-42.26	408.93	3.18	-39.08
CCOC1=CC=CC(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300007716960	0	48	-1.0	-46.14	388.03	6.48	-39.66
COCCN1C=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=N1	REAL300007716961	0	48	-1.0	-44.63	396.44	3.87	-40.76
CC(C)(C)CCS(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716962	0	49	-1.0	-42.37	375.83	6.40	-35.97
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007716963	0	48	-1.0	-56.08	395.53	6.55	-49.53
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007716964	0	49	-1.0	-57.94	406.11	8.25	-49.69
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007716965	0	46	-1.0	-50.51	377.87	6.63	-43.88
CC1CCN(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C1	REAL300007716966	0	46	-1.0	-44.16	361.22	5.21	-38.95
COCC1=CC=CC=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716967	0	48	-1.0	-52.68	370.91	6.35	-46.33
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007716968	0	44	-1.0	-47.56	380.29	5.34	-42.22
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007716969	0	44	-1.0	-43.77	374.26	5.17	-38.60
CC1(C)CC2=CC(S(=O)(=O)NC(CC3CCCCC3)C(=O)[O-])=CC=C2O1	REAL300007716970	0	52	-1.0	-45.56	413.78	7.54	-38.02
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007716971	0	44	-1.0	-47.12	372.79	5.69	-41.43
CSC1=CC=CC=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716972	0	45	-1.0	-45.38	364.87	7.60	-37.78
CCC1=CC=CC(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300007716973	0	47	-1.0	-44.19	379.22	7.71	-36.48
CCC1=CC=C(CS(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1	REAL300007716974	0	50	-1.0	-44.47	401.85	8.36	-36.11
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)CCC1=CC=CS1	REAL300007716975	0	44	-1.0	-43.32	370.69	6.79	-36.53
CC1=CC=C(CS(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1C	REAL300007716976	0	50	-1.0	-57.29	394.56	8.02	-49.27
CC(C)CN(C)S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716977	0	48	-1.0	-41.20	376.19	5.86	-35.34
CN(C1CCCC1)S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716978	0	49	-1.0	-52.38	369.51	5.74	-46.64
CCCN(C)S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716979	0	45	-1.0	-41.65	355.01	5.11	-36.54
CC1(C)CN(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])CCO1	REAL300007716980	0	50	-1.0	-43.77	382.82	4.47	-39.30
CC1=NOC(CS(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])=C1	REAL300007716981	0	43	-1.0	-55.46	352.56	4.96	-50.50
CC(C)N1N=CC2=CC(S(=O)(=O)NC(CC3CCCCC3)C(=O)[O-])=CC=C21	REAL300007716982	0	53	-1.0	-46.96	427.40	7.80	-39.16
CCS(=O)(=O)NCCS(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716983	0	48	-1.0	-47.26	397.96	0.96	-46.30
CC1=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007716984	0	47	-1.0	-54.38	387.89	7.45	-46.93
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007716985	0	47	-1.0	-47.81	393.93	9.12	-38.69
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)CCC1CCCO1	REAL300007716986	0	48	-1.0	-57.59	373.63	4.89	-52.70
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007716987	0	47	-1.0	-56.82	392.41	7.77	-49.05
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007716988	0	52	-1.0	-57.26	413.26	7.40	-49.86
CC1=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007716989	0	50	-1.0	-46.36	405.17	9.21	-37.15
CC1=CC=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1N(C)C	REAL300007716990	0	52	-1.0	-55.84	405.79	6.66	-49.18
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007716991	0	46	-1.0	-46.28	359.01	3.04	-43.24
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)CCOCC1CCCC1	REAL300007716992	0	54	-1.0	-43.68	418.85	6.68	-37.00
COC1=CC(C)=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1Cl	REAL300007716993	0	48	-1.0	-49.69	384.21	6.85	-42.84
CSC1=CC=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C=C1Cl	REAL300007716994	0	45	-1.0	-50.75	386.38	7.48	-43.27
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716995	0	53	-1.0	-46.81	408.88	6.69	-40.12
COC(C)CS(=O)(=O)NC(CC1CCCCC1)C(=O)[O-]	REAL300007716996	0	44	-1.0	-43.09	350.73	3.94	-39.15
O=C([O-])C(CC1CCCCC1)NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007716997	0	49	-1.0	-48.09	403.46	4.59	-43.50
CCC1=NOC2=NC=C(S(=O)(=O)NC(CC3CCCCC3)C(=O)[O-])C=C12	REAL300007716998	0	48	-1.0	-52.40	392.67	3.61	-48.79
CN1N=CC2=CC(S(=O)(=O)NC(CC3CCCCC3)C(=O)[O-])=CN=C21	REAL300007716999	0	46	-1.0	-50.82	377.09	5.21	-45.61
CCC1=CC(CC)=C(S(=O)(=O)NC(CC2CCCCC2)C(=O)[O-])C(CC)=C1	REAL300007717000	0	59	-1.0	-54.34	428.09	10.67	-43.67
C=CCCC(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007722957	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-]	REAL300007722958	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-]	REAL300007722959	0	43	-1.0	-56.65	381.65	1.29	-55.36
C=CCCC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007722960	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-]	REAL300007722961	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-]	REAL300007722962	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-]	REAL300007722963	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-]	REAL300007722964	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-]	REAL300007722965	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-]	REAL300007722966	0	38	-1.0	-59.86	334.93	5.42	-54.44
C=CCCC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007722967	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-]	REAL300007722968	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-]	REAL300007722969	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-]	REAL300007722970	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-]	REAL300007722971	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-]	REAL300007722972	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-]	REAL300007722973	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-]	REAL300007722974	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-]	REAL300007722975	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-]	REAL300007722976	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-]	REAL300007722977	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-]	REAL300007722978	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-]	REAL300007722979	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-]	REAL300007722980	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-]	REAL300007722981	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-]	REAL300007722982	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-]	REAL300007722983	0	35	-1.0	-42.57	334.23	5.70	-36.87
C=CCCC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007722984	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-]	REAL300007722985	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-]	REAL300007722986	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-]	REAL300007722987	0	35	-1.0	-41.06	320.61	5.75	-35.31
C=CCCC(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300007722988	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-]	REAL300007722989	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-]	REAL300007722990	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-]	REAL300007722991	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-]	REAL300007722992	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-]	REAL300007722993	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-]	REAL300007722994	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-]	REAL300007722995	0	44	-1.0	-57.38	393.50	3.54	-53.84
C=CCCC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007722996	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-]	REAL300007722997	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-]	REAL300007722998	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-]	REAL300007722999	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-]	REAL300007723000	0	41	-1.0	-56.53	356.08	6.49	-50.04
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723526	0	36	-1.0	-42.92	308.08	4.60	-38.32
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723527	0	43	-1.0	-44.20	359.80	4.77	-39.43
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007723528	0	43	-1.0	-47.28	367.04	1.48	-45.80
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007723529	0	50	-1.0	-47.28	358.65	5.83	-41.45
CC1=NC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=CC=C2C=C1	REAL300007723530	0	40	-1.0	-53.74	324.34	6.08	-47.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007723531	0	40	-1.0	-49.59	340.45	6.28	-43.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007723532	0	43	-1.0	-47.46	353.82	2.80	-44.66
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723533	0	46	-1.0	-48.37	392.71	5.86	-42.51
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723534	0	46	-1.0	-45.23	389.51	5.84	-39.39
CCCN1C=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723535	0	38	-1.0	-55.64	322.86	5.13	-50.51
COCCOCCOCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723536	0	46	-1.0	-50.99	384.25	1.70	-49.29
CC(COC1CCCC1)CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723537	0	48	-1.0	-44.15	375.53	5.78	-38.37
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723538	0	39	-1.0	-44.85	343.92	4.72	-40.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007723539	0	40	-1.0	-48.28	334.60	2.01	-46.27
COC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723540	0	36	-1.0	-46.41	323.78	4.22	-42.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007723541	0	36	-1.0	-50.79	318.18	4.51	-46.28
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007723542	0	38	-1.0	-45.07	330.91	5.15	-39.92
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723543	0	38	-1.0	-40.17	322.57	6.03	-34.14
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723544	0	38	-1.0	-38.78	324.64	6.03	-32.75
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300007723545	0	38	-1.0	-42.44	330.19	5.90	-36.54
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723546	0	41	-1.0	-47.83	322.08	6.01	-41.82
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCN1CCOCC1	REAL300007723547	0	44	-1.0	-47.64	347.57	1.24	-46.40
CCOC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723548	0	39	-1.0	-46.36	326.72	4.64	-41.72
COCCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007723549	0	39	-1.0	-44.90	335.16	2.03	-42.87
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007723550	0	39	-1.0	-52.61	339.76	4.93	-47.68
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007723551	0	59	-1.0	-51.07	457.78	8.79	-42.28
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007723552	0	40	-1.0	-48.27	346.36	6.49	-41.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007723553	0	37	-1.0	-53.15	316.61	4.76	-48.39
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007723554	0	35	-1.0	-45.82	317.85	5.64	-40.18
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1Br	REAL300007723555	0	35	-1.0	-50.75	314.44	5.54	-45.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007723556	0	39	-1.0	-58.18	337.65	2.17	-56.01
CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723557	0	35	-1.0	-44.31	315.69	5.58	-38.73
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723558	0	35	-1.0	-43.09	303.52	5.61	-37.48
COCC1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723559	0	39	-1.0	-45.16	313.62	4.31	-40.85
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300007723560	0	36	-1.0	-45.18	325.30	4.37	-40.81
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007723561	0	40	-1.0	-46.58	337.07	4.19	-42.39
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007723562	0	35	-1.0	-43.64	319.35	3.48	-40.16
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007723563	0	35	-1.0	-45.32	314.59	3.15	-42.17
CC1(C)CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300007723564	0	43	-1.0	-48.06	353.24	5.49	-42.57
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007723565	0	35	-1.0	-53.85	311.64	3.72	-50.13
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723566	0	43	-1.0	-50.70	318.29	2.35	-48.35
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723567	0	44	-1.0	-54.37	379.06	3.60	-50.77
CSC1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723568	0	36	-1.0	-46.01	307.94	5.21	-40.80
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007723569	0	40	-1.0	-49.16	354.37	1.19	-47.97
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723570	0	46	-1.0	-51.16	394.54	2.18	-48.98
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723571	0	43	-1.0	-47.24	342.72	3.82	-43.42
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007723572	0	43	-1.0	-48.46	375.84	2.08	-46.38
CCC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723573	0	41	-1.0	-46.28	342.51	6.55	-39.73
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CS1	REAL300007723574	0	35	-1.0	-44.64	310.49	5.00	-39.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007723575	0	47	-1.0	-51.93	389.13	4.84	-47.09
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007723576	0	44	-1.0	-51.62	362.76	3.73	-47.89
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723577	0	41	-1.0	-52.27	357.55	2.82	-49.45
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723578	0	42	-1.0	-51.06	362.32	2.05	-49.01
CC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007723579	0	41	-1.0	-47.20	338.03	6.31	-40.89
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300007723580	0	39	-1.0	-43.50	347.14	5.30	-38.20
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007723581	0	46	-1.0	-47.60	383.93	7.45	-40.15
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007723582	0	36	-1.0	-50.78	328.51	4.96	-45.82
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723583	0	39	-1.0	-49.72	343.80	4.85	-44.87
CC1(C)CN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCO1	REAL300007723584	0	41	-1.0	-44.26	321.89	2.44	-41.82
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2S1	REAL300007723585	0	46	-1.0	-48.60	388.38	6.35	-42.25
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723586	0	39	-1.0	-44.54	338.46	5.86	-38.68
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300007723587	0	44	-1.0	-49.27	366.12	5.94	-43.33
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723588	0	39	-1.0	-51.50	339.74	-0.86	-52.36
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007723589	0	38	-1.0	-45.73	329.09	5.68	-40.05
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007723590	0	35	-1.0	-44.29	332.00	6.29	-38.00
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007723591	0	38	-1.0	-42.42	340.67	7.23	-35.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007723592	0	35	-1.0	-47.03	324.74	6.14	-40.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007723593	0	38	-1.0	-53.56	331.89	7.15	-46.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007723594	0	38	-1.0	-46.70	336.38	6.17	-40.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007723595	0	43	-1.0	-47.18	357.07	5.57	-41.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007723596	0	46	-1.0	-42.91	387.64	8.02	-34.89
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723597	0	45	-1.0	-51.81	381.93	5.91	-45.90
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007723598	0	43	-1.0	-49.34	375.88	1.46	-47.88
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007723599	0	41	-1.0	-49.27	340.89	7.31	-41.96
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1N(C)C	REAL300007723600	0	43	-1.0	-46.06	349.99	5.05	-41.01
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007723601	0	38	-1.0	-48.10	337.43	6.36	-41.74
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007723602	0	37	-1.0	-52.94	306.20	1.40	-51.54
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCOCC1CCCC1	REAL300007723603	0	45	-1.0	-45.72	360.62	4.85	-40.87
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007723604	0	39	-1.0	-40.32	329.02	4.86	-35.46
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723605	0	41	-1.0	-54.10	359.46	2.61	-51.49
CSC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007723606	0	36	-1.0	-43.39	330.59	5.88	-37.51
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723607	0	44	-1.0	-52.48	349.59	4.76	-47.72
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007723608	0	40	-1.0	-49.52	346.98	2.81	-46.71
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C12	REAL300007723609	0	39	-1.0	-44.37	336.62	2.12	-42.25
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007723610	0	43	-1.0	-46.81	371.93	4.23	-42.58
CN1N=CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CN=C21	REAL300007723611	0	37	-1.0	-46.29	319.74	3.53	-42.76
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007723612	0	38	-1.0	-46.93	342.50	7.25	-39.68
CCC1=CC(CC)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(CC)=C1	REAL300007723613	0	50	-1.0	-44.84	365.03	8.67	-36.17
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007723614	0	39	-1.0	-50.99	319.94	4.40	-46.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007723615	0	38	-1.0	-43.09	344.43	2.31	-40.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007723616	0	41	-1.0	-44.74	337.28	7.86	-36.88
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300007723617	0	39	-1.0	-48.56	318.42	4.48	-44.08
CC1(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCCCC1	REAL300007723618	0	44	-1.0	-46.25	322.76	5.82	-40.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007723619	0	41	-1.0	-49.36	333.35	5.77	-43.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007723621	0	40	-1.0	-48.70	344.97	5.67	-43.03
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723622	0	39	-1.0	-45.06	344.79	4.53	-40.53
CC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300007723623	0	38	-1.0	-48.67	324.36	5.69	-42.98
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007723625	0	32	-1.0	-40.36	308.09	4.58	-35.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007723626	0	45	-1.0	-45.16	364.63	7.52	-37.64
CC(C)(C)C1=CC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=NO1	REAL300007723627	0	43	-1.0	-45.82	357.66	4.96	-40.86
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007723628	0	41	-1.0	-48.98	336.88	1.42	-47.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007723629	0	35	-1.0	-46.16	311.63	4.84	-41.32
CC1=C(CCS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])SC=N1	REAL300007723630	0	37	-1.0	-46.40	324.17	3.64	-42.76
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC12CCC(CC1)C2	REAL300007723631	0	42	-1.0	-45.06	324.39	5.64	-39.42
COC1=CC=C2C=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])CCC2=C1	REAL300007723632	0	44	-1.0	-48.43	355.23	5.98	-42.45
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC12CCC(CC1)CC2	REAL300007723633	0	45	-1.0	-45.13	333.08	6.25	-38.88
CC(C)(CCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])S(C)(=O)=O	REAL300007723634	0	43	-1.0	-61.27	349.14	1.52	-59.75
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CCCCC1(F)F	REAL300007723635	0	41	-1.0	-48.15	328.50	5.48	-42.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007723636	0	39	-1.0	-48.29	324.84	6.45	-41.84
CCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007723637	0	40	-1.0	-42.38	337.75	6.23	-36.15
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007723638	0	32	-1.0	-43.84	292.16	4.90	-38.94
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007723639	0	32	-1.0	-43.82	296.72	5.01	-38.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007723640	0	34	-1.0	-43.07	303.61	5.05	-38.02
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007723641	0	38	-1.0	-49.38	321.94	6.50	-42.88
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007723642	0	34	-1.0	-52.34	303.60	5.07	-47.27
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723643	0	37	-1.0	-37.85	311.75	5.68	-32.17
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007723644	0	34	-1.0	-58.97	285.43	5.88	-53.09
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723645	0	39	-1.0	-54.81	345.18	5.72	-49.09
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723646	0	39	-1.0	-47.71	326.75	4.61	-43.10
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007723647	0	44	-1.0	-43.41	326.18	6.64	-36.77
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300007723648	0	41	-1.0	-46.06	324.87	6.53	-39.53
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723649	0	47	-1.0	-43.67	359.78	7.31	-36.36
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007723650	0	35	-1.0	-41.06	314.80	5.40	-35.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007723651	0	35	-1.0	-45.04	294.51	4.96	-40.08
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007723652	0	32	-1.0	-46.73	292.11	4.92	-41.81
CC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723653	0	37	-1.0	-51.87	315.84	4.77	-47.10
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007723654	0	38	-1.0	-43.21	330.88	5.16	-38.05
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723655	0	44	-1.0	-47.34	351.62	6.71	-40.63
CC(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723656	0	41	-1.0	-47.24	335.65	6.31	-40.93
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723657	0	43	-1.0	-51.56	370.99	2.38	-49.18
CCCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723658	0	41	-1.0	-46.98	339.81	6.60	-40.38
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300007723659	0	36	-1.0	-48.58	325.29	4.37	-44.21
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300007723660	0	35	-1.0	-43.15	315.32	5.57	-37.58
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)=C1	REAL300007723661	0	46	-1.0	-47.73	386.86	7.92	-39.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007723662	0	36	-1.0	-44.47	321.36	4.18	-40.29
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1C	REAL300007723663	0	47	-1.0	-44.83	341.11	7.13	-37.70
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007723664	0	41	-1.0	-48.49	338.21	4.35	-44.14
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723665	0	48	-1.0	-46.24	377.82	6.85	-39.39
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007723666	0	37	-1.0	-55.25	321.71	5.64	-49.61
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723667	0	36	-1.0	-42.75	322.98	5.15	-37.60
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723668	0	50	-1.0	-45.78	379.66	8.19	-37.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007723669	0	35	-1.0	-43.27	314.17	5.38	-37.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007723670	0	42	-1.0	-49.07	335.79	6.82	-42.25
COC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723671	0	40	-1.0	-46.40	331.36	3.83	-42.57
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300007723672	0	40	-1.0	-50.17	334.12	3.61	-46.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007723673	0	39	-1.0	-49.21	320.92	6.31	-42.90
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007723674	0	40	-1.0	-47.32	325.77	6.68	-40.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007723675	0	37	-1.0	-47.93	311.30	4.26	-43.67
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723676	0	47	-1.0	-46.85	378.86	7.89	-38.96
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OCC	REAL300007723677	0	46	-1.0	-47.24	377.82	5.45	-41.79
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723678	0	37	-1.0	-51.86	329.64	-0.66	-52.52
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007723679	0	40	-1.0	-43.69	334.07	6.03	-37.66
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007723680	0	40	-1.0	-39.27	328.44	6.27	-33.00
CC1=CC2=CC=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=C2N=C1	REAL300007723681	0	40	-1.0	-55.23	332.97	5.76	-49.47
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007723682	0	38	-1.0	-56.39	316.50	5.12	-51.27
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723683	0	36	-1.0	-43.81	316.21	5.04	-38.77
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723684	0	37	-1.0	-49.71	329.63	-0.64	-50.35
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007723685	0	44	-1.0	-47.00	378.80	1.99	-45.01
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723686	0	40	-1.0	-47.35	339.91	5.66	-41.69
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007723687	0	41	-1.0	-45.77	325.87	5.44	-40.33
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300007723688	0	40	-1.0	-46.45	328.18	5.37	-41.08
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007723689	0	40	-1.0	-57.49	323.40	7.11	-50.38
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723690	0	43	-1.0	-49.23	370.99	2.40	-46.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007723691	0	44	-1.0	-48.70	361.46	3.74	-44.96
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723692	0	38	-1.0	-53.13	336.09	1.93	-51.20
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007723693	0	42	-1.0	-50.15	338.77	7.75	-42.40
CC1CC(C)CN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1	REAL300007723694	0	43	-1.0	-44.27	335.63	4.60	-39.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007723695	0	38	-1.0	-52.22	315.10	6.63	-45.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007723696	0	42	-1.0	-49.13	349.57	7.80	-41.33
CC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723697	0	35	-1.0	-39.47	288.40	5.16	-34.31
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=CC=C12	REAL300007723698	0	46	-1.0	-47.91	365.57	6.44	-41.47
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007723699	0	33	-1.0	-47.17	292.17	2.97	-44.20
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723700	0	36	-1.0	-42.84	318.38	5.05	-37.79
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723701	0	47	-1.0	-47.17	365.84	7.17	-40.00
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007723702	0	35	-1.0	-47.53	310.85	5.52	-42.01
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723703	0	42	-1.0	-48.87	342.78	5.10	-43.77
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007723704	0	35	-1.0	-45.95	313.28	5.54	-40.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300007723705	0	33	-1.0	-47.85	285.47	3.12	-44.73
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007723706	0	37	-1.0	-51.24	326.10	6.83	-44.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007723707	0	37	-1.0	-62.99	313.66	5.03	-57.96
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007723708	0	43	-1.0	-48.07	380.34	7.72	-40.35
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723709	0	38	-1.0	-42.75	327.26	5.21	-37.54
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007723710	0	36	-1.0	-50.42	311.10	3.78	-46.64
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007723711	0	35	-1.0	-48.99	302.10	5.11	-43.88
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007723712	0	43	-1.0	-46.84	380.88	7.68	-39.16
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300007723713	0	47	-1.0	-48.56	393.66	6.46	-42.10
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	REAL300007723714	0	59	-1.0	-46.18	429.03	10.09	-36.09
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007723715	0	48	-1.0	-49.59	380.62	7.46	-42.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007723716	0	35	-1.0	-42.25	330.67	6.06	-36.19
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007723717	0	42	-1.0	-50.77	343.39	5.98	-44.79
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723718	0	37	-1.0	-39.89	311.73	5.67	-34.22
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723719	0	37	-1.0	-47.06	302.85	5.47	-41.59
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723720	0	40	-1.0	-37.21	326.34	6.58	-30.63
CC(C)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723721	0	44	-1.0	-46.91	356.61	7.07	-39.84
COCCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723722	0	42	-1.0	-47.17	351.97	4.90	-42.27
COCCN(CCOC)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723723	0	44	-1.0	-42.23	338.38	2.16	-40.07
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723724	0	35	-1.0	-39.57	298.67	5.60	-33.97
COC1=C(C)C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007723725	0	42	-1.0	-47.69	347.05	5.20	-42.49
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723726	0	48	-1.0	-46.11	387.30	6.71	-39.40
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007723727	0	46	-1.0	-47.25	370.20	6.58	-40.67
CC(C)COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723728	0	45	-1.0	-47.43	368.35	6.10	-41.33
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723729	0	42	-1.0	-47.38	348.24	5.41	-41.97
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007723730	0	36	-1.0	-43.68	320.90	4.26	-39.42
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007723731	0	36	-1.0	-46.28	330.65	4.53	-41.75
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007723732	0	39	-1.0	-46.13	325.32	4.43	-41.70
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300007723733	0	45	-1.0	-47.65	365.36	6.03	-41.62
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300007723734	0	39	-1.0	-44.90	312.94	4.31	-40.59
COCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723735	0	43	-1.0	-49.98	360.37	3.88	-46.10
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1F	REAL300007723736	0	35	-1.0	-53.49	302.94	5.01	-48.48
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723737	0	35	-1.0	-40.63	304.79	5.62	-35.01
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007723738	0	40	-1.0	-56.58	323.50	7.33	-49.25
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723739	0	41	-1.0	-47.75	346.63	2.55	-45.20
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007723740	0	44	-1.0	-51.39	384.40	2.23	-49.16
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723741	0	40	-1.0	-51.86	352.01	0.55	-51.31
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723742	0	40	-1.0	-51.25	330.44	2.09	-49.16
CC1=NC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300007723743	0	34	-1.0	-46.12	301.96	2.85	-43.27
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007723744	0	35	-1.0	-46.37	307.94	5.65	-40.72
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300007723745	0	36	-1.0	-45.84	311.10	3.78	-42.06
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007723746	0	42	-1.0	-52.07	349.58	7.82	-44.25
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007723747	0	35	-1.0	-41.62	333.08	6.12	-35.50
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])S2)=CS1	REAL300007723748	0	38	-1.0	-48.49	353.25	4.91	-43.58
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007723749	0	52	-1.0	-46.00	409.98	8.00	-38.00
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723750	0	40	-1.0	-53.27	324.90	6.20	-47.07
CNC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1C	REAL300007723751	0	40	-1.0	-51.86	338.96	1.90	-49.96
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300007723752	0	42	-1.0	-46.46	332.89	5.16	-41.30
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007723753	0	43	-1.0	-50.49	359.60	8.52	-41.97
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007723754	0	42	-1.0	-43.52	333.06	5.04	-38.48
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007723755	0	40	-1.0	-52.01	320.48	5.53	-46.48
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007723756	0	37	-1.0	-51.14	305.29	4.73	-46.41
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])=C2	REAL300007723757	0	45	-1.0	-55.05	375.61	8.08	-46.97
CCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007723758	0	37	-1.0	-61.68	319.68	5.41	-56.27
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007723759	0	39	-1.0	-48.23	346.32	5.07	-43.16
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007723760	0	46	-1.0	-47.52	386.65	7.66	-39.86
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723761	0	40	-1.0	-58.69	338.46	5.67	-53.02
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007723762	0	42	-1.0	-46.23	362.64	5.82	-40.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007723763	0	35	-1.0	-57.59	302.34	3.55	-54.04
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723764	0	54	-1.0	-43.44	407.70	7.17	-36.27
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723765	0	40	-1.0	-50.24	350.93	0.90	-49.34
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300007723766	0	35	-1.0	-46.15	302.96	5.10	-41.05
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007723767	0	45	-1.0	-50.32	365.15	6.91	-43.41
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723768	0	42	-1.0	-48.28	341.86	6.14	-42.14
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007723769	0	37	-1.0	-48.71	323.71	4.57	-44.14
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007723770	0	39	-1.0	-51.79	337.12	5.37	-46.42
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723771	0	46	-1.0	-49.95	382.23	4.84	-45.11
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723772	0	48	-1.0	-46.04	391.23	6.97	-39.07
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007723773	0	42	-1.0	-48.04	323.86	6.44	-41.60
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007723774	0	38	-1.0	-52.19	323.29	6.22	-45.97
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007723775	0	36	-1.0	-45.41	331.76	5.85	-39.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007723776	0	37	-1.0	-47.09	311.36	3.70	-43.39
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007723777	0	40	-1.0	-59.55	337.51	5.52	-54.03
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007723778	0	38	-1.0	-64.40	314.98	0.74	-63.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007723779	0	37	-1.0	-52.14	323.64	4.56	-47.58
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300007723780	0	42	-1.0	-44.78	334.80	5.23	-39.55
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723781	0	40	-1.0	-48.73	352.35	0.55	-48.18
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007723782	0	36	-1.0	-46.79	302.20	4.61	-42.18
CSC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723783	0	36	-1.0	-46.06	315.57	5.40	-40.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007723784	0	38	-1.0	-44.35	337.82	6.12	-38.23
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723785	0	43	-1.0	-45.58	341.79	6.12	-39.46
CCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])N=C1C	REAL300007723786	0	38	-1.0	-58.62	319.32	4.14	-54.48
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007723787	0	38	-1.0	-49.78	318.30	4.00	-45.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007723788	0	37	-1.0	-46.75	307.12	4.72	-42.03
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007723789	0	44	-1.0	-48.35	364.98	6.26	-42.09
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300007723790	0	38	-1.0	-46.58	330.20	5.91	-40.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007723791	0	38	-1.0	-48.16	343.37	5.10	-43.06
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007723792	0	41	-1.0	-52.01	337.87	5.92	-46.09
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C12	REAL300007723793	0	40	-1.0	-50.42	341.69	4.14	-46.28
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723794	0	39	-1.0	-50.74	342.52	4.87	-45.87
COCC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723795	0	39	-1.0	-48.67	330.56	4.11	-44.56
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=C2O1	REAL300007723796	0	43	-1.0	-49.14	339.44	5.66	-43.48
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300007723797	0	35	-1.0	-51.24	311.19	5.43	-45.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007723798	0	44	-1.0	-56.84	372.88	2.98	-53.86
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007723799	0	39	-1.0	-43.16	345.62	4.90	-38.26
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007723800	0	40	-1.0	-55.72	329.89	5.21	-50.51
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007723801	0	35	-1.0	-48.48	326.67	6.00	-42.48
CC1CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300007723802	0	40	-1.0	-47.59	329.92	4.93	-42.66
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723803	0	44	-1.0	-45.06	322.17	7.25	-37.81
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723804	0	44	-1.0	-46.90	360.10	3.26	-43.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007723805	0	43	-1.0	-48.64	382.19	7.75	-40.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007723806	0	38	-1.0	-55.25	339.65	5.02	-50.23
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007723807	0	38	-1.0	-47.97	353.68	5.55	-42.42
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)=CO1	REAL300007723808	0	41	-1.0	-54.70	351.76	3.44	-51.26
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007723809	0	35	-1.0	-54.74	305.28	2.99	-51.75
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007723810	0	35	-1.0	-49.33	305.22	4.77	-44.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007723811	0	35	-1.0	-48.34	301.82	2.90	-45.44
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007723812	0	35	-1.0	-44.24	302.56	1.09	-43.15
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007723813	0	40	-1.0	-47.74	326.76	4.95	-42.79
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007723814	0	39	-1.0	-46.05	310.52	5.82	-40.23
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=N2)C=C1	REAL300007723815	0	42	-1.0	-48.62	357.36	6.21	-42.41
CC1CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300007723816	0	40	-1.0	-45.28	349.17	5.50	-39.78
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007723817	0	37	-1.0	-41.93	319.98	5.57	-36.36
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007723818	0	43	-1.0	-52.39	363.12	5.18	-47.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007723819	0	34	-1.0	-47.57	307.38	3.89	-43.68
CN(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723820	0	40	-1.0	-49.41	326.87	4.79	-44.62
CC1=CC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2C=C1	REAL300007723821	0	41	-1.0	-50.02	342.56	7.31	-42.71
COC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])SC=C1	REAL300007723822	0	33	-1.0	-50.18	295.82	3.43	-46.75
CN(C)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723823	0	40	-1.0	-50.27	327.91	4.83	-45.44
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007723824	0	37	-1.0	-50.52	306.08	4.66	-45.86
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007723825	0	37	-1.0	-54.79	320.99	4.33	-50.46
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007723826	0	37	-1.0	-46.93	311.56	4.08	-42.85
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007723827	0	38	-1.0	-45.81	334.88	6.34	-39.47
CN1CCCC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300007723828	0	44	-1.0	-49.81	349.96	4.98	-44.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007723829	0	34	-1.0	-45.53	311.33	3.55	-41.98
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723830	0	40	-1.0	-52.33	327.21	4.94	-47.39
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723831	0	40	-1.0	-48.44	326.57	6.17	-42.27
CC1=CC=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007723832	0	40	-1.0	-60.07	331.27	7.32	-52.75
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007723833	0	40	-1.0	-38.06	327.56	6.13	-31.93
COC1=CC=C(CCS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723834	0	42	-1.0	-47.98	347.65	5.12	-42.86
COC1=CN=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723835	0	35	-1.0	-47.13	299.98	1.87	-45.26
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300007723836	0	41	-1.0	-45.84	348.51	6.03	-39.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007723837	0	39	-1.0	-47.40	324.64	6.49	-40.91
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC(OC)=C1	REAL300007723838	0	40	-1.0	-49.95	334.97	2.84	-47.11
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1CCCCC1	REAL300007723839	0	44	-1.0	-44.44	341.05	6.07	-38.37
CC1=CC=C(CCS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723840	0	41	-1.0	-46.90	339.55	6.50	-40.40
CC1=CC2=C(C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])OCO2	REAL300007723841	0	38	-1.0	-40.89	309.88	3.57	-37.32
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007723842	0	35	-1.0	-51.14	302.11	4.94	-46.20
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300007723843	0	36	-1.0	-45.27	320.90	4.26	-41.01
CN1C=NC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300007723844	0	38	-1.0	-59.39	323.63	5.75	-53.64
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007723845	0	40	-1.0	-51.42	327.07	6.37	-45.05
CC1=NC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2O1	REAL300007723846	0	37	-1.0	-50.26	316.61	1.97	-48.29
CCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1CC	REAL300007723847	0	44	-1.0	-48.26	352.36	6.97	-41.29
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723848	0	40	-1.0	-41.61	331.66	6.54	-35.07
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723849	0	42	-1.0	-51.08	335.53	5.83	-45.25
CC1=C(C)SC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723850	0	35	-1.0	-45.48	310.00	4.78	-40.70
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723851	0	33	-1.0	-39.12	292.07	2.37	-36.75
CCC1=NC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300007723852	0	34	-1.0	-46.78	305.52	2.97	-43.81
CN(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007723853	0	39	-1.0	-50.51	323.79	4.28	-46.23
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300007723854	0	35	-1.0	-46.40	301.76	4.66	-41.74
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007723855	0	38	-1.0	-52.77	319.26	5.32	-47.45
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007723856	0	35	-1.0	-51.50	298.08	3.29	-48.21
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC(C)=C1F	REAL300007723857	0	38	-1.0	-43.89	322.81	5.73	-38.16
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007723858	0	39	-1.0	-48.18	331.38	4.12	-44.06
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007723859	0	45	-1.0	-45.51	376.70	5.79	-39.72
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007723860	0	36	-1.0	-58.64	313.13	4.42	-54.22
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007723861	0	34	-1.0	-48.63	292.12	4.21	-44.42
CC1=NC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CS1	REAL300007723862	0	34	-1.0	-50.74	306.11	2.64	-48.10
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007723863	0	35	-1.0	-43.00	316.35	5.63	-37.37
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300007723864	0	35	-1.0	-43.17	311.29	5.48	-37.69
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007723865	0	38	-1.0	-48.86	323.50	5.41	-43.45
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)=N1	REAL300007723866	0	41	-1.0	-47.09	361.62	5.85	-41.24
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007723867	0	40	-1.0	-49.40	322.81	5.86	-43.54
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007723868	0	39	-1.0	-50.84	340.52	2.26	-48.58
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007723869	0	41	-1.0	-51.70	331.89	4.92	-46.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007723870	0	35	-1.0	-47.11	317.50	5.50	-41.61
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723871	0	57	-1.0	-45.96	455.73	9.31	-36.65
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723872	0	45	-1.0	-44.71	361.56	6.01	-38.70
COC(CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C1CCCC1	REAL300007723873	0	45	-1.0	-44.23	348.60	4.57	-39.66
COC(CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300007723874	0	48	-1.0	-44.98	366.25	5.04	-39.94
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007723875	0	46	-1.0	-51.33	392.86	7.76	-43.57
CCOC(CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C1CC1	REAL300007723876	0	42	-1.0	-46.21	342.37	4.50	-41.71
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007723877	0	51	-1.0	-46.47	406.84	7.45	-39.02
CCC1=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1CC1CC1	REAL300007723878	0	45	-1.0	-51.48	372.85	6.32	-45.16
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007723879	0	35	-1.0	-47.76	315.25	3.89	-43.87
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007723880	0	40	-1.0	-50.81	332.57	6.70	-44.11
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723881	0	39	-1.0	-46.55	317.71	4.20	-42.35
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007723882	0	45	-1.0	-46.24	379.46	6.55	-39.69
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723883	0	35	-1.0	-42.58	313.97	2.74	-39.84
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007723884	0	43	-1.0	-43.25	369.40	8.36	-34.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007723885	0	42	-1.0	-51.83	335.10	7.61	-44.22
CCC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(C)C=C1OC	REAL300007723886	0	45	-1.0	-43.13	352.97	5.85	-37.28
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007723887	0	38	-1.0	-43.04	346.62	6.26	-36.78
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300007723888	1	34	-1.0	-52.25	298.15	3.19	-49.06
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007723889	0	41	-1.0	-49.95	326.34	7.45	-42.50
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007723890	0	41	-1.0	-47.36	344.56	2.97	-44.39
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723891	0	36	-1.0	-48.61	304.52	4.75	-43.86
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007723892	0	48	-1.0	-48.31	385.33	6.65	-41.66
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007723893	0	44	-1.0	-43.49	353.60	6.66	-36.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007723894	0	51	-1.0	-45.76	401.46	8.92	-36.84
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723895	0	42	-1.0	-48.22	330.34	4.37	-43.85
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007723896	0	44	-1.0	-45.80	338.32	4.27	-41.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007723897	0	42	-1.0	-50.53	343.31	4.71	-45.82
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723898	0	35	-1.0	-46.01	304.36	3.00	-43.01
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723899	0	39	-1.0	-50.88	332.20	4.42	-46.46
C=CCCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723900	0	42	-1.0	-47.12	352.61	7.17	-39.95
CCC1=NN(C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723901	0	38	-1.0	-47.91	314.23	3.24	-44.67
CCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007723902	0	54	-1.0	-47.82	428.32	8.23	-39.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007723903	0	36	-1.0	-44.82	325.81	5.96	-38.86
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300007723904	0	54	-1.0	-46.26	419.77	8.09	-38.17
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1CC	REAL300007723905	0	48	-1.0	-47.84	389.90	6.93	-40.91
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723906	0	38	-1.0	-42.11	319.34	6.35	-35.76
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723907	0	38	-1.0	-46.63	333.27	6.26	-40.37
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007723908	0	36	-1.0	-47.81	321.63	6.04	-41.77
CCCC1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723909	0	41	-1.0	-45.37	322.46	6.70	-38.67
COC1=NC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723910	0	35	-1.0	-45.96	290.62	1.69	-44.27
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723911	0	48	-1.0	-46.70	385.76	7.12	-39.58
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007723912	0	37	-1.0	-49.26	302.21	4.48	-44.78
CC1=CSC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723913	0	35	-1.0	-43.47	294.21	4.94	-38.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007723914	0	39	-1.0	-46.61	323.76	4.00	-42.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007723915	0	39	-1.0	-46.28	319.51	3.97	-42.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007723916	0	42	-1.0	-45.17	338.97	5.21	-39.96
CC1(C)COC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=NN2C1	REAL300007723917	0	43	-1.0	-52.34	344.18	2.51	-49.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007723918	0	38	-1.0	-49.40	342.35	5.29	-44.11
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2CCCCN12	REAL300007723919	0	39	-1.0	-47.33	316.89	4.52	-42.81
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007723920	0	57	-1.0	-47.63	449.82	9.01	-38.62
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007723921	0	48	-1.0	-49.70	370.58	5.88	-43.82
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723922	0	42	-1.0	-55.59	348.81	5.79	-49.80
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007723923	0	55	-1.0	-49.89	440.80	6.87	-43.02
CC1CC2=CC=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=C2O1	REAL300007723924	0	40	-1.0	-52.32	328.39	5.50	-46.82
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300007723925	0	40	-1.0	-46.98	345.58	3.93	-43.05
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007723926	0	38	-1.0	-49.66	326.34	5.04	-44.62
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723927	0	37	-1.0	-59.03	314.14	3.77	-55.26
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007723928	0	41	-1.0	-45.04	317.43	4.29	-40.75
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007723929	0	36	-1.0	-50.91	326.84	4.85	-46.06
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007723930	0	33	-1.0	-45.02	290.27	3.19	-41.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007723931	0	35	-1.0	-48.05	314.33	5.82	-42.23
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723932	0	39	-1.0	-47.23	319.82	3.78	-43.45
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300007723933	0	41	-1.0	-42.74	324.31	6.52	-36.22
COC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1OC	REAL300007723934	0	40	-1.0	-49.50	324.45	4.55	-44.95
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=COC2=CC=CC=C21	REAL300007723935	0	35	-1.0	-47.01	291.33	4.18	-42.83
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300007723936	0	45	-1.0	-48.52	356.28	5.10	-43.42
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723937	0	44	-1.0	-46.60	351.44	4.94	-41.66
CCCCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=N1	REAL300007723938	0	44	-1.0	-48.00	358.38	4.92	-43.08
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300007723939	0	39	-1.0	-47.74	325.39	4.00	-43.74
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007723940	0	36	-1.0	-50.32	314.64	3.96	-46.36
CN1N=NC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=CC=C21	REAL300007723941	0	37	-1.0	-52.17	311.62	2.97	-49.20
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300007723942	0	38	-1.0	-40.08	324.79	6.27	-33.81
CC1(C)CCCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1	REAL300007723943	0	43	-1.0	-44.69	328.87	4.76	-39.93
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007723944	0	38	-1.0	-44.52	339.25	5.40	-39.12
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300007723945	0	42	-1.0	-46.56	336.36	4.40	-42.16
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723946	0	50	-1.0	-49.07	380.02	7.85	-41.22
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007723947	0	38	-1.0	-41.42	346.58	6.28	-35.14
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007723948	0	42	-1.0	-45.05	349.47	5.06	-39.99
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007723949	0	36	-1.0	-47.63	309.37	5.22	-42.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007723950	0	43	-1.0	-44.76	369.37	7.68	-37.08
COC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007723951	0	41	-1.0	-59.01	338.14	5.82	-53.19
CCCC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723952	0	41	-1.0	-46.38	339.77	6.61	-39.77
CN1N=C2CCCC2=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723953	0	39	-1.0	-48.50	321.77	3.76	-44.74
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723954	0	41	-1.0	-46.73	318.88	3.72	-43.01
CC(C)(C)N1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007723955	0	41	-1.0	-46.47	341.16	3.97	-42.50
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007723956	0	39	-1.0	-46.69	319.96	3.12	-43.57
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300007723957	0	37	-1.0	-46.68	326.37	4.19	-42.49
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007723958	0	35	-1.0	-42.88	318.12	5.38	-37.50
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723959	0	43	-1.0	-48.22	359.97	6.44	-41.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007723960	0	43	-1.0	-47.37	345.32	7.38	-39.99
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007723961	0	38	-1.0	-44.92	333.43	5.31	-39.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007723962	0	38	-1.0	-47.86	315.58	4.69	-43.17
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300007723963	0	39	-1.0	-51.21	328.95	2.58	-48.63
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007723964	0	42	-1.0	-45.52	371.60	5.14	-40.38
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007723965	0	32	-1.0	-42.57	289.26	3.93	-38.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007723966	0	39	-1.0	-45.85	324.97	6.48	-39.37
COC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=CS1	REAL300007723967	0	33	-1.0	-44.77	296.42	3.24	-41.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007723968	0	42	-1.0	-46.66	334.43	4.57	-42.09
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723969	0	41	-1.0	-45.32	329.97	4.15	-41.17
CN(C1CCCCCC1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723970	0	46	-1.0	-47.30	340.05	5.15	-42.15
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300007723971	0	46	-1.0	-47.75	364.11	3.24	-44.51
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723972	0	38	-1.0	-43.59	328.63	5.93	-37.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007723973	0	36	-1.0	-47.27	314.61	3.99	-43.28
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007723974	0	47	-1.0	-48.73	367.14	6.81	-41.92
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300007723975	0	33	-1.0	-45.32	299.29	2.84	-42.48
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007723976	0	43	-1.0	-53.82	345.40	6.71	-47.11
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007723977	0	40	-1.0	-42.26	331.15	4.32	-37.94
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CCF)N=C1	REAL300007723978	0	35	-1.0	-43.70	308.07	3.11	-40.59
CCOCC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007723979	0	42	-1.0	-46.89	352.31	5.09	-41.80
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007723980	0	42	-1.0	-48.48	349.28	5.27	-43.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007723981	0	45	-1.0	-50.43	361.92	5.34	-45.09
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007723982	0	43	-1.0	-48.22	363.26	7.09	-41.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1CF	REAL300007723983	0	35	-1.0	-45.79	288.96	5.19	-40.60
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC(C)=C1Br	REAL300007723984	0	38	-1.0	-44.19	333.48	6.13	-38.06
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007723985	0	41	-1.0	-52.27	332.88	7.17	-45.10
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007723986	0	42	-1.0	-46.77	347.58	5.32	-41.45
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007723987	0	36	-1.0	-45.14	312.49	5.61	-39.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007723988	0	36	-1.0	-44.77	330.37	6.06	-38.71
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007723989	0	36	-1.0	-44.78	327.37	6.17	-38.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007723990	0	37	-1.0	-45.69	318.55	-1.69	-47.38
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007723991	0	35	-1.0	-55.15	296.71	4.40	-50.75
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CCC(F)(F)CC1	REAL300007723992	0	38	-1.0	-63.62	309.70	5.06	-58.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007723993	0	34	-1.0	-52.71	306.30	3.80	-48.91
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCOC1CCOC1	REAL300007723994	0	40	-1.0	-46.90	327.70	1.54	-45.36
CC1=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007723995	0	41	-1.0	-55.07	349.35	3.54	-51.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007723996	0	49	-1.0	-45.60	352.66	7.12	-38.48
CC1(C)COC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1	REAL300007723997	0	42	-1.0	-48.95	335.18	3.92	-45.03
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007723998	0	35	-1.0	-48.67	306.88	-0.09	-48.76
CC(C)(CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C(C)(F)F	REAL300007723999	0	40	-1.0	-48.54	314.84	4.85	-43.69
CS(=O)(=O)CCCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007724000	0	40	-1.0	-56.27	346.40	1.04	-55.23
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724751	0	36	-1.0	-52.24	302.90	4.93	-47.31
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724752	0	43	-1.0	-53.14	350.48	5.38	-47.76
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007724753	0	43	-1.0	-53.44	365.95	1.96	-51.48
O=C([O-])C1CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007724754	0	50	-1.0	-48.20	356.80	6.47	-41.73
CC1=NC2=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=CC=C2C=C1	REAL300007724755	0	40	-1.0	-56.91	330.80	6.45	-50.46
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007724756	0	40	-1.0	-52.75	338.18	6.86	-45.89
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007724757	0	43	-1.0	-51.68	350.53	3.52	-48.16
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724758	0	46	-1.0	-52.53	390.26	6.17	-46.36
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724759	0	46	-1.0	-52.75	381.87	6.15	-46.60
CCCN1C=NC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724760	0	38	-1.0	-53.19	321.58	5.75	-47.44
COCCOCCOCCS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724761	0	46	-1.0	-54.73	381.89	2.31	-52.42
CC(COC1CCCC1)CS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724762	0	48	-1.0	-51.73	373.98	6.38	-45.35
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724763	0	39	-1.0	-48.74	341.49	5.29	-43.45
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007724764	0	40	-1.0	-48.34	331.41	2.72	-45.62
COC1=CC(Br)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724765	0	36	-1.0	-48.57	324.17	4.88	-43.69
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007724766	0	36	-1.0	-51.84	313.65	5.14	-46.70
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007724767	0	38	-1.0	-49.73	328.46	5.72	-44.01
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724768	0	38	-1.0	-47.24	315.62	6.28	-40.96
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724769	0	38	-1.0	-44.24	316.44	6.33	-37.91
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007724770	0	38	-1.0	-46.97	328.53	6.51	-40.46
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724771	0	41	-1.0	-50.93	321.27	6.89	-44.04
O=C([O-])C1CCCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300007724772	0	44	-1.0	-50.33	347.10	1.95	-48.38
CCOC1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724773	0	39	-1.0	-48.65	325.48	5.21	-43.44
COCCN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=N1	REAL300007724774	0	39	-1.0	-52.42	333.12	2.59	-49.83
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300007724775	0	39	-1.0	-51.40	338.46	5.54	-45.86
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1C	REAL300007724776	0	59	-1.0	-52.19	458.86	9.47	-42.72
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007724777	0	40	-1.0	-53.30	346.89	7.15	-46.15
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300007724778	0	37	-1.0	-54.17	315.27	5.37	-48.80
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300007724779	0	35	-1.0	-49.29	318.46	6.32	-42.97
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300007724780	0	35	-1.0	-52.38	314.51	6.31	-46.07
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300007724781	0	39	-1.0	-60.94	337.54	2.84	-58.10
CC1=CC(Br)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724782	0	35	-1.0	-46.30	316.08	6.24	-40.06
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724783	0	35	-1.0	-48.13	295.21	5.81	-42.32
COCC1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724784	0	39	-1.0	-48.53	310.27	4.52	-44.01
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300007724785	0	36	-1.0	-47.40	324.01	4.96	-42.44
COC1=CC(OC)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007724786	0	40	-1.0	-52.89	341.98	4.73	-48.16
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300007724787	0	35	-1.0	-55.74	317.33	4.05	-51.69
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300007724788	0	35	-1.0	-52.65	312.45	3.83	-48.82
CC1(C)CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C2O1	REAL300007724789	0	43	-1.0	-50.16	350.79	6.21	-43.95
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300007724790	0	35	-1.0	-58.11	307.72	3.95	-54.16
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724791	0	43	-1.0	-57.37	346.33	3.69	-53.68
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724792	0	44	-1.0	-55.70	377.77	4.21	-51.49
CSC1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724793	0	36	-1.0	-52.34	302.43	5.70	-46.64
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300007724794	0	40	-1.0	-53.01	353.06	1.77	-51.24
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724795	0	46	-1.0	-53.39	393.25	2.78	-50.61
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724796	0	43	-1.0	-63.03	352.39	4.57	-58.46
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300007724797	0	43	-1.0	-52.40	374.52	2.66	-49.74
CCC1=CC=C(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724798	0	41	-1.0	-50.60	340.06	7.14	-43.46
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300007724799	0	35	-1.0	-50.27	308.43	5.58	-44.69
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300007724800	0	47	-1.0	-54.84	386.69	5.42	-49.42
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300007724801	0	44	-1.0	-51.14	361.88	4.61	-46.53
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724802	0	41	-1.0	-54.05	356.27	3.41	-50.64
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724803	0	42	-1.0	-63.03	357.21	2.38	-60.65
CC1=CC=C(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007724804	0	41	-1.0	-51.32	335.58	6.91	-44.41
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Br	REAL300007724805	0	39	-1.0	-46.70	345.85	5.89	-40.81
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007724806	0	46	-1.0	-53.74	382.29	8.06	-45.68
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300007724807	0	36	-1.0	-51.50	323.98	5.59	-45.91
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724808	0	39	-1.0	-51.97	343.98	5.60	-46.37
CC1(C)CN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)CCO1	REAL300007724809	0	41	-1.0	-48.38	319.55	3.20	-45.18
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2S1	REAL300007724810	0	46	-1.0	-49.87	386.36	6.92	-42.95
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724811	0	39	-1.0	-51.78	335.99	6.04	-45.74
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CC=C21	REAL300007724812	0	44	-1.0	-51.40	364.10	6.52	-44.88
CCS(=O)(=O)NCCS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724813	0	39	-1.0	-59.96	337.26	-0.26	-60.22
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300007724814	0	38	-1.0	-49.43	330.87	6.12	-43.31
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300007724815	0	35	-1.0	-49.21	329.01	6.90	-42.31
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300007724816	0	38	-1.0	-47.46	336.88	7.74	-39.72
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300007724817	0	35	-1.0	-51.63	320.44	6.62	-45.01
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300007724818	0	38	-1.0	-53.56	325.50	7.83	-45.73
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300007724819	0	38	-1.0	-50.19	335.07	6.78	-43.41
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300007724820	0	43	-1.0	-51.34	355.32	6.35	-44.99
O=C([O-])C1CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300007724821	0	46	-1.0	-50.78	383.35	8.43	-42.35
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724822	0	45	-1.0	-56.63	380.63	6.52	-50.11
O=C([O-])C1CCCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300007724823	0	43	-1.0	-58.41	373.41	2.06	-56.35
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300007724824	0	41	-1.0	-49.00	340.38	7.86	-41.14
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1N(C)C	REAL300007724825	0	43	-1.0	-48.00	348.70	5.65	-42.35
O=C([O-])C1CCCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300007724826	0	38	-1.0	-52.01	334.82	6.93	-45.08
O=C([O-])C1CCCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300007724827	0	37	-1.0	-51.11	309.94	1.90	-49.21
O=C([O-])C1CCCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300007724828	0	45	-1.0	-49.86	358.16	5.46	-44.40
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007724829	0	39	-1.0	-51.50	323.33	5.15	-46.35
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724830	0	41	-1.0	-56.28	357.88	3.22	-53.06
CSC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007724831	0	36	-1.0	-46.61	329.31	6.47	-40.14
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724832	0	44	-1.0	-47.92	346.32	5.31	-42.61
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300007724833	0	40	-1.0	-47.75	344.50	3.52	-44.23
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C12	REAL300007724834	0	39	-1.0	-53.08	334.62	2.67	-50.41
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300007724835	0	43	-1.0	-52.49	369.92	4.78	-47.71
CN1N=CC2=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=CN=C21	REAL300007724836	0	37	-1.0	-50.22	317.29	4.11	-46.11
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300007724837	0	38	-1.0	-48.37	341.29	7.88	-40.49
CCC1=CC(CC)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(CC)=C1	REAL300007724838	0	50	-1.0	-47.20	365.52	8.91	-38.29
O=C([O-])C1CCCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300007724839	0	39	-1.0	-51.63	319.13	5.00	-46.63
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300007724840	0	38	-1.0	-47.28	341.99	3.05	-44.23
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300007724841	0	41	-1.0	-58.90	333.57	8.66	-50.24
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1F	REAL300007724842	0	39	-1.0	-51.16	311.70	4.63	-46.53
CC1(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)CCCCC1	REAL300007724843	0	44	-1.0	-48.56	323.25	6.47	-42.09
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300007724844	0	41	-1.0	-50.88	334.43	6.45	-44.43
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300007724846	0	40	-1.0	-50.43	342.38	6.27	-44.16
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724847	0	39	-1.0	-47.36	345.17	5.19	-42.17
CC1=CC=C(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)C(F)=C1	REAL300007724848	0	38	-1.0	-54.61	324.61	6.46	-48.15
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300007724850	0	32	-1.0	-44.53	306.66	5.19	-39.34
O=C([O-])C1CCCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300007724851	0	45	-1.0	-51.17	362.16	8.28	-42.89
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCC(C(=O)[O-])C2)=NO1	REAL300007724852	0	43	-1.0	-50.05	356.01	5.76	-44.29
O=C([O-])C1CCCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300007724853	0	41	-1.0	-55.73	334.57	2.15	-53.58
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007724854	0	35	-1.0	-47.57	310.27	5.47	-42.10
CC1=C(CCS(=O)(=O)N2CCCC(C(=O)[O-])C2)SC=N1	REAL300007724855	0	37	-1.0	-51.91	322.18	4.22	-47.69
O=C([O-])C1CCCN(S(=O)(=O)CC23CCC(CC2)C3)C1	REAL300007724856	0	42	-1.0	-51.39	322.21	6.40	-44.99
COC1=CC=C2C=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)CCC2=C1	REAL300007724857	0	44	-1.0	-50.83	358.12	6.70	-44.13
O=C([O-])C1CCCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300007724858	0	45	-1.0	-51.67	331.32	7.06	-44.61
CC(C)(CCS(=O)(=O)N1CCCC(C(=O)[O-])C1)S(C)(=O)=O	REAL300007724859	0	43	-1.0	-58.29	346.66	2.10	-56.19
O=C([O-])C1CCCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300007724860	0	41	-1.0	-49.35	326.45	6.16	-43.19
O=C([O-])C1CCCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300007724861	0	39	-1.0	-52.31	323.61	7.12	-45.19
CCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007724862	0	40	-1.0	-46.38	336.64	6.83	-39.55
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300007724863	0	32	-1.0	-47.10	290.83	5.51	-41.59
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300007724864	0	32	-1.0	-47.01	295.39	5.62	-41.39
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007724865	0	34	-1.0	-47.83	302.32	5.66	-42.17
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300007724866	0	38	-1.0	-51.73	318.88	7.26	-44.47
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300007724867	0	34	-1.0	-46.49	302.35	5.66	-40.83
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724868	0	37	-1.0	-44.33	305.58	5.98	-38.35
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300007724869	0	34	-1.0	-57.50	286.47	6.54	-50.96
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724870	0	39	-1.0	-50.97	339.65	6.40	-44.57
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724871	0	39	-1.0	-48.54	325.45	5.22	-43.32
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1C	REAL300007724872	0	44	-1.0	-48.79	328.48	7.39	-41.40
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300007724873	0	41	-1.0	-48.75	316.15	6.91	-41.84
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724874	0	47	-1.0	-46.86	353.59	7.63	-39.23
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300007724875	0	35	-1.0	-46.03	313.19	6.00	-40.03
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300007724876	0	35	-1.0	-50.91	294.57	6.19	-44.72
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300007724877	0	32	-1.0	-46.33	290.86	5.51	-40.82
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724878	0	37	-1.0	-48.87	314.57	5.40	-43.47
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007724879	0	38	-1.0	-48.14	329.61	5.74	-42.40
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724880	0	44	-1.0	-48.89	350.30	7.32	-41.57
CC(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724881	0	41	-1.0	-48.93	334.32	6.92	-42.01
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724882	0	43	-1.0	-53.28	368.85	3.03	-50.25
CCCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724883	0	41	-1.0	-48.93	338.49	7.21	-41.72
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Br	REAL300007724884	0	36	-1.0	-47.01	324.01	4.96	-42.05
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1Br	REAL300007724885	0	35	-1.0	-47.12	313.60	6.18	-40.94
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2)=C1	REAL300007724886	0	46	-1.0	-49.91	384.21	8.50	-41.41
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007724887	0	36	-1.0	-47.93	320.09	4.79	-43.14
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1C	REAL300007724888	0	47	-1.0	-49.28	343.09	7.81	-41.47
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300007724889	0	41	-1.0	-49.57	336.93	4.95	-44.62
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724890	0	48	-1.0	-52.46	372.69	7.18	-45.28
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007724891	0	37	-1.0	-57.67	318.31	6.19	-51.48
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724892	0	36	-1.0	-51.37	317.79	5.48	-45.89
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724893	0	50	-1.0	-48.91	373.19	8.70	-40.21
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300007724894	0	35	-1.0	-47.04	312.84	6.00	-41.04
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300007724895	0	42	-1.0	-49.25	336.84	7.48	-41.77
COC1=CC=C(OC)C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724896	0	40	-1.0	-54.52	325.96	4.15	-50.37
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1OC	REAL300007724897	0	40	-1.0	-49.67	332.82	4.20	-45.47
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300007724898	0	39	-1.0	-50.30	318.91	6.87	-43.43
O=C([O-])C1CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300007724899	0	40	-1.0	-50.53	327.84	7.40	-43.13
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300007724900	0	37	-1.0	-50.16	309.30	4.81	-45.35
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724901	0	47	-1.0	-48.95	377.56	8.50	-40.45
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1OCC	REAL300007724902	0	46	-1.0	-49.28	376.53	6.04	-43.24
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724903	0	37	-1.0	-54.54	328.29	-0.05	-54.59
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300007724904	0	40	-1.0	-48.15	336.55	6.79	-41.36
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1C	REAL300007724905	0	40	-1.0	-44.21	322.80	6.48	-37.73
CC1=CC2=CC=CC(S(=O)(=O)N3CCCC(C(=O)[O-])C3)=C2N=C1	REAL300007724906	0	40	-1.0	-54.45	329.47	6.72	-47.73
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300007724907	0	38	-1.0	-54.19	315.90	5.82	-48.37
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724908	0	36	-1.0	-47.57	312.52	5.35	-42.22
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724909	0	37	-1.0	-52.89	328.29	-0.05	-52.94
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300007724910	0	44	-1.0	-52.62	381.96	2.83	-49.79
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724911	0	40	-1.0	-50.02	341.03	6.54	-43.48
O=C([O-])C1CCCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300007724912	0	41	-1.0	-48.39	330.82	6.30	-42.09
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CN=C12	REAL300007724913	0	40	-1.0	-52.08	324.04	6.27	-45.81
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007724914	0	40	-1.0	-56.30	325.55	7.76	-48.54
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724915	0	43	-1.0	-51.60	369.68	3.00	-48.60
O=C([O-])C1CCCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300007724916	0	44	-1.0	-63.79	358.87	4.32	-59.47
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724917	0	38	-1.0	-55.11	334.80	2.52	-52.59
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300007724918	0	42	-1.0	-52.83	339.98	8.73	-44.10
CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C1	REAL300007724919	0	43	-1.0	-48.93	333.19	5.37	-43.56
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300007724920	0	38	-1.0	-53.28	308.81	7.32	-45.96
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300007724921	0	42	-1.0	-51.38	347.54	8.41	-42.97
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724922	0	35	-1.0	-44.64	283.76	5.37	-39.27
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=CC=C12	REAL300007724923	0	46	-1.0	-51.47	362.25	7.17	-44.30
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300007724924	0	33	-1.0	-56.02	295.10	3.39	-52.63
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724925	0	36	-1.0	-51.48	313.24	5.38	-46.10
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724926	0	47	-1.0	-48.76	364.52	7.78	-40.98
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007724927	0	35	-1.0	-50.55	309.57	6.11	-44.44
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724928	0	42	-1.0	-48.49	343.36	5.84	-42.65
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300007724929	0	35	-1.0	-49.37	313.90	6.22	-43.15
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300007724930	0	33	-1.0	-60.51	288.41	3.74	-56.77
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300007724931	0	37	-1.0	-50.78	325.20	7.52	-43.26
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300007724932	0	37	-1.0	-54.99	308.09	6.08	-48.91
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300007724933	0	43	-1.0	-52.28	378.86	8.39	-43.89
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724934	0	38	-1.0	-47.35	324.02	5.49	-41.86
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300007724935	0	36	-1.0	-47.33	309.82	4.37	-42.96
CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300007724936	0	35	-1.0	-51.52	300.83	5.70	-45.82
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300007724937	0	43	-1.0	-48.72	381.23	8.43	-40.29
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)C=C2)C=C1	REAL300007724938	0	47	-1.0	-49.91	393.99	7.20	-42.71
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C(C)C)=C1	REAL300007724939	0	59	-1.0	-48.17	425.57	10.57	-37.60
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007724940	0	48	-1.0	-51.76	376.95	8.22	-43.54
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300007724941	0	35	-1.0	-48.67	329.09	6.68	-41.99
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007724942	0	42	-1.0	-52.36	337.14	6.67	-45.69
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724943	0	37	-1.0	-47.63	304.78	5.92	-41.71
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724944	0	37	-1.0	-54.86	300.76	5.80	-49.06
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724945	0	40	-1.0	-52.38	328.47	7.30	-45.08
CC(C)CC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724946	0	44	-1.0	-48.88	355.20	7.68	-41.20
COCCC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724947	0	42	-1.0	-49.50	350.66	5.51	-43.99
COCCN(CCOC)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724948	0	44	-1.0	-48.89	351.27	2.27	-46.62
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724949	0	35	-1.0	-44.60	294.09	5.83	-38.77
COC1=C(C)C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007724950	0	42	-1.0	-49.39	346.93	5.84	-43.55
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724951	0	48	-1.0	-48.14	386.02	7.32	-40.82
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300007724952	0	46	-1.0	-49.37	368.32	7.20	-42.17
CC(C)COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724953	0	45	-1.0	-48.27	367.06	6.71	-41.56
CCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724954	0	42	-1.0	-48.34	346.95	6.02	-42.32
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1Cl	REAL300007724955	0	36	-1.0	-47.04	319.62	4.85	-42.19
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300007724956	0	36	-1.0	-49.22	329.36	5.12	-44.10
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007724957	0	39	-1.0	-48.93	323.66	5.04	-43.89
CC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300007724958	0	45	-1.0	-48.64	363.43	6.59	-42.05
COC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300007724959	0	39	-1.0	-48.58	306.60	4.56	-44.02
COCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724960	0	43	-1.0	-50.70	359.08	4.49	-46.21
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300007724961	0	35	-1.0	-54.80	303.21	5.78	-49.02
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724962	0	35	-1.0	-45.27	298.09	5.84	-39.43
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1C	REAL300007724963	0	40	-1.0	-48.62	316.21	7.37	-41.25
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724964	0	41	-1.0	-52.81	338.08	2.83	-49.98
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300007724965	0	44	-1.0	-53.75	382.64	2.87	-50.88
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724966	0	40	-1.0	-54.07	350.72	1.16	-52.91
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724967	0	40	-1.0	-50.68	329.28	2.97	-47.71
CC1=NC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)S1	REAL300007724968	0	34	-1.0	-49.88	300.70	3.44	-46.44
O=C([O-])C1CCCN(S(=O)(=O)C2=CSC3=CC=CC=C32)C1	REAL300007724969	0	35	-1.0	-50.19	303.65	6.12	-44.07
COC1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CC=C1F	REAL300007724970	0	36	-1.0	-47.69	309.81	4.37	-43.32
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300007724971	0	42	-1.0	-49.60	348.29	8.41	-41.19
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300007724972	0	35	-1.0	-49.22	331.10	6.74	-42.48
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC(C(=O)[O-])C3)S2)=CS1	REAL300007724973	0	38	-1.0	-50.90	352.40	5.54	-45.36
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300007724974	0	52	-1.0	-49.58	408.67	8.61	-40.97
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724975	0	40	-1.0	-56.42	328.79	6.71	-49.71
CNC(=O)C1=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=CN1C	REAL300007724976	0	40	-1.0	-51.93	338.07	2.66	-49.27
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C(C)=C1	REAL300007724977	0	42	-1.0	-48.72	322.81	5.55	-43.17
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300007724978	0	43	-1.0	-50.99	358.34	9.11	-41.88
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1C	REAL300007724979	0	42	-1.0	-46.91	326.90	5.34	-41.57
CC1=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300007724980	0	40	-1.0	-49.03	316.81	6.04	-42.99
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300007724981	0	37	-1.0	-52.68	304.08	5.23	-47.45
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCCC(C(=O)[O-])C1)=C2	REAL300007724982	0	45	-1.0	-55.97	373.92	8.83	-47.14
CCN1C=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007724983	0	37	-1.0	-54.72	320.96	5.55	-49.17
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300007724984	0	39	-1.0	-48.89	345.02	5.68	-43.21
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300007724985	0	46	-1.0	-51.00	385.35	8.28	-42.72
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C(=O)[O-])C2)=C1	REAL300007724986	0	40	-1.0	-51.92	337.21	6.26	-45.66
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300007724987	0	42	-1.0	-54.27	359.35	6.54	-47.73
O=C([O-])C1CCCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300007724988	0	35	-1.0	-57.23	300.40	4.15	-53.08
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724989	0	54	-1.0	-48.87	411.71	7.93	-40.94
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724990	0	40	-1.0	-53.25	347.68	1.70	-51.55
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300007724991	0	35	-1.0	-49.71	303.58	5.78	-43.93
CCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007724992	0	45	-1.0	-51.95	359.00	7.59	-44.36
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007724993	0	42	-1.0	-51.72	339.78	6.45	-45.27
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300007724994	0	37	-1.0	-65.69	322.37	5.17	-60.52
O=C([O-])C1CCCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300007724995	0	39	-1.0	-50.08	333.95	6.09	-43.99
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724996	0	46	-1.0	-50.71	380.93	5.45	-45.26
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007724997	0	48	-1.0	-48.21	389.95	7.58	-40.63
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300007724998	0	42	-1.0	-49.52	317.66	7.07	-42.45
O=C([O-])C1CCCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300007724999	0	38	-1.0	-49.45	325.28	6.73	-42.72
O=C([O-])C1CCCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300007725000	0	36	-1.0	-48.79	330.49	6.46	-42.33
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1	REAL300007725754	0	33	-1.0	-47.75	314.39	6.00	-41.75
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300007725755	0	39	-1.0	-49.83	336.87	4.67	-45.16
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300007725756	0	39	-1.0	-56.57	345.33	1.36	-55.21
CCN(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007725757	0	46	-1.0	-42.43	340.98	6.09	-36.34
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300007725758	0	36	-1.0	-53.41	309.55	6.05	-47.36
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007725759	0	36	-1.0	-47.43	317.32	6.31	-41.12
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300007725760	0	46	-1.0	-47.76	390.72	7.07	-40.69
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007725761	0	39	-1.0	-54.42	331.22	2.93	-51.49
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300007725762	0	42	-1.0	-47.12	371.09	5.62	-41.50
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300007725763	0	42	-1.0	-47.48	364.77	5.69	-41.79
CCN(CC(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300007725764	0	44	-1.0	-57.63	354.15	5.77	-51.86
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007725765	0	43	-1.0	-46.68	371.83	5.88	-40.80
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300007725766	0	35	-1.0	-51.70	321.73	4.69	-47.01
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C(OC)=C1	REAL300007725767	0	46	-1.0	-61.04	394.49	2.78	-58.26
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007725768	0	36	-1.0	-52.28	312.13	2.14	-50.14
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300007725769	0	32	-1.0	-44.05	305.18	4.35	-39.70
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007725770	0	32	-1.0	-45.96	293.66	4.64	-41.32
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300007725771	0	34	-1.0	-50.33	309.00	5.13	-45.20
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300007725772	0	34	-1.0	-41.57	304.23	6.13	-35.44
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300007725773	0	34	-1.0	-39.79	296.21	5.64	-34.15
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300007725774	0	34	-1.0	-49.98	307.91	5.90	-44.08
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007725775	0	35	-1.0	-46.24	318.97	4.99	-41.25
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CC)CC(=O)[O-])=C1C	REAL300007725776	0	55	-1.0	-54.23	437.41	8.86	-45.37
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1	REAL300007725777	0	42	-1.0	-54.51	364.54	2.32	-52.19
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007725778	0	36	-1.0	-43.22	325.87	6.60	-36.62
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007725779	0	31	-1.0	-41.62	297.45	5.76	-35.86
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007725780	0	31	-1.0	-56.49	293.87	5.69	-50.80
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007725781	0	35	-1.0	-64.28	319.05	2.30	-61.98
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300007725782	0	31	-1.0	-51.19	296.22	5.66	-45.53
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300007725783	0	31	-1.0	-53.98	287.96	5.77	-48.21
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300007725784	0	32	-1.0	-50.71	303.40	4.36	-46.35
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300007725785	0	36	-1.0	-56.03	323.68	4.22	-51.81
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007725786	0	31	-1.0	-45.04	298.65	3.49	-41.55
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007725787	0	39	-1.0	-53.25	330.93	5.65	-47.60
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007725788	0	31	-1.0	-50.29	284.89	3.83	-46.46
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(I)=C1	REAL300007725789	0	31	-1.0	-53.42	298.83	6.03	-47.39
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007725790	0	40	-1.0	-51.73	358.28	3.66	-48.07
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC(=O)[O-])=C1	REAL300007725791	0	45	-1.0	-57.74	390.23	4.10	-53.64
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007725792	0	45	-1.0	-53.18	397.52	2.95	-50.23
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007725793	0	36	-1.0	-55.99	332.42	1.16	-54.83
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1	REAL300007725794	0	42	-1.0	-50.55	389.87	2.07	-48.48
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC	REAL300007725795	0	43	-1.0	-61.23	372.99	1.99	-59.24
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C(F)=C1	REAL300007725796	0	42	-1.0	-62.12	372.48	2.78	-59.34
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007725797	0	39	-1.0	-73.59	339.42	4.30	-69.29
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1F	REAL300007725798	0	42	-1.0	-54.61	375.39	2.84	-51.77
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007725799	0	43	-1.0	-58.74	355.30	5.58	-53.16
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300007725800	0	39	-1.0	-54.92	353.89	2.06	-52.86
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007725801	0	43	-1.0	-56.20	367.22	4.83	-51.37
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007725802	0	40	-1.0	-44.89	341.60	3.89	-41.00
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300007725803	0	37	-1.0	-47.74	336.56	2.85	-44.89
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300007725804	0	38	-1.0	-50.61	338.20	1.83	-48.78
CCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1Br	REAL300007725805	0	35	-1.0	-51.51	325.25	5.28	-46.23
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300007725806	0	42	-1.0	-56.20	361.65	7.46	-48.74
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007725807	0	32	-1.0	-45.58	303.98	5.10	-40.48
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007725808	0	34	-1.0	-43.20	335.09	2.57	-40.63
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300007725809	0	35	-1.0	-46.02	322.34	5.00	-41.02
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007725810	0	42	-1.0	-52.45	366.50	6.35	-46.10
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300007725811	0	35	-1.0	-46.89	316.97	5.49	-41.40
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300007725812	0	40	-1.0	-54.69	344.20	5.93	-48.76
CCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC	REAL300007725813	0	35	-1.0	-63.18	313.08	-1.05	-64.23
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300007725814	0	34	-1.0	-52.89	302.65	5.58	-47.31
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007725815	0	31	-1.0	-43.86	310.40	6.39	-37.47
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300007725816	0	34	-1.0	-46.58	317.50	7.19	-39.39
CCN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007725817	0	31	-1.0	-42.78	292.12	5.74	-37.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007725818	0	34	-1.0	-62.58	311.59	7.33	-55.25
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007725819	0	34	-1.0	-44.03	315.61	6.22	-37.81
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007725820	0	39	-1.0	-57.61	334.48	5.74	-51.87
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007725821	0	42	-1.0	-45.82	363.32	7.85	-37.97
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007725822	0	41	-1.0	-58.24	360.89	5.96	-52.28
CCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007725823	0	39	-1.0	-61.03	353.34	1.47	-59.56
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300007725824	0	37	-1.0	-45.23	320.63	7.28	-37.95
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300007725825	0	39	-1.0	-53.26	328.37	5.05	-48.21
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007725826	0	34	-1.0	-42.62	313.84	6.36	-36.26
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300007725827	0	35	-1.0	-44.19	306.13	4.66	-39.53
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007725828	0	37	-1.0	-51.12	336.85	2.66	-48.46
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300007725829	0	32	-1.0	-51.32	308.69	5.85	-45.47
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CC)CC(=O)[O-]	REAL300007725830	0	40	-1.0	-44.49	325.96	4.86	-39.63
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007725831	0	36	-1.0	-51.71	324.66	2.95	-48.76
CCC1=NOC2=NC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C12	REAL300007725832	0	35	-1.0	-47.16	315.70	2.14	-45.02
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007725833	0	39	-1.0	-44.68	350.99	4.27	-40.41
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007725834	0	34	-1.0	-52.67	320.62	7.27	-45.40
CCC1=CC(CC)=C(S(=O)(=O)N(CC)CC(=O)[O-])C(CC)=C1	REAL300007725835	0	46	-1.0	-42.52	350.02	8.52	-34.00
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC	REAL300007725836	1	43	-1.0	-59.26	374.46	1.59	-57.67
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007725837	0	34	-1.0	-50.16	322.11	2.43	-47.73
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007725838	0	37	-1.0	-65.23	320.28	8.14	-57.09
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300007725839	0	35	-1.0	-43.76	295.11	4.14	-39.62
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007725840	0	37	-1.0	-43.72	307.07	5.60	-38.12
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007725842	0	36	-1.0	-46.66	323.89	5.70	-40.96
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300007725843	0	35	-1.0	-52.12	321.44	4.42	-47.70
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007725845	0	28	-1.0	-38.21	287.13	4.63	-33.58
CCN(CC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007725846	0	41	-1.0	-57.84	342.08	7.70	-50.14
CCN(CC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007725847	0	39	-1.0	-60.25	335.21	5.14	-55.11
CCN(CC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007725848	0	37	-1.0	-66.42	314.47	1.57	-64.85
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007725849	0	31	-1.0	-44.25	290.69	4.91	-39.34
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300007725850	0	40	-1.0	-54.53	333.33	5.96	-48.57
CCN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007725851	0	39	-1.0	-60.03	325.64	1.54	-58.49
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1	REAL300007725852	0	43	-1.0	-47.92	377.84	7.68	-40.24
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1	REAL300007725853	0	47	-1.0	-45.35	395.93	5.20	-40.15
CCC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007725854	0	36	-1.0	-52.24	315.93	6.22	-46.02
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007725855	0	28	-1.0	-41.12	275.91	5.07	-36.05
CCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300007725856	0	33	-1.0	-58.31	285.30	5.27	-53.04
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CC)CC(=O)[O-]	REAL300007725857	0	35	-1.0	-45.90	320.50	5.85	-40.05
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300007725858	0	43	-1.0	-55.86	332.29	7.01	-48.85
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007725859	0	31	-1.0	-45.01	293.47	5.46	-39.55
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007725860	0	31	-1.0	-60.34	278.38	5.73	-54.61
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300007725861	0	34	-1.0	-58.29	308.98	5.13	-53.16
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300007725862	0	44	-1.0	-55.91	381.83	1.96	-53.95
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007725863	0	45	-1.0	-48.72	391.37	4.16	-44.56
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007725864	0	39	-1.0	-48.92	350.22	2.44	-46.48
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300007725865	0	32	-1.0	-51.87	303.38	4.35	-47.52
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007725866	0	34	-1.0	-39.12	332.25	6.45	-32.67
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300007725867	0	31	-1.0	-50.72	292.98	5.57	-45.15
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300007725868	0	42	-1.0	-53.31	363.58	7.90	-45.41
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007725869	0	32	-1.0	-41.61	300.60	4.24	-37.37
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300007725870	0	43	-1.0	-53.81	318.11	7.03	-46.78
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007725871	0	37	-1.0	-53.61	316.27	4.33	-49.28
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300007725872	0	44	-1.0	-48.88	353.65	6.63	-42.25
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300007725873	0	35	-1.0	-54.19	328.91	6.77	-47.42
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300007725874	0	33	-1.0	-52.43	297.70	5.58	-46.85
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300007725875	0	32	-1.0	-45.93	298.80	4.93	-41.00
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300007725876	0	46	-1.0	-44.61	352.28	8.11	-36.50
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007725877	0	31	-1.0	-50.24	292.22	5.39	-44.85
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300007725878	0	36	-1.0	-50.06	306.96	3.60	-46.46
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300007725879	0	36	-1.0	-53.79	312.20	3.59	-50.20
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300007725880	0	43	-1.0	-44.02	358.07	7.95	-36.07
CCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1OCC	REAL300007725881	0	42	-1.0	-54.37	355.91	5.43	-48.94
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007725882	0	33	-1.0	-49.34	308.80	-0.60	-49.94
CCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300007725883	0	36	-1.0	-52.33	306.78	6.01	-46.32
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300007725884	0	36	-1.0	-64.94	311.33	6.19	-58.75
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300007725885	0	34	-1.0	-65.59	303.62	5.37	-60.22
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300007725886	0	32	-1.0	-54.33	294.94	4.87	-49.46
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007725887	0	33	-1.0	-54.57	308.59	-0.61	-55.18
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007725888	0	40	-1.0	-44.48	361.92	2.23	-42.25
CCN(CC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007725889	0	36	-1.0	-55.60	318.78	5.87	-49.73
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300007725890	0	36	-1.0	-58.03	310.13	5.78	-52.25
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300007725891	0	36	-1.0	-48.79	304.20	6.94	-41.85
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007725892	0	39	-1.0	-59.51	349.08	2.39	-57.12
CCN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007725893	0	40	-1.0	-64.45	340.00	3.71	-60.74
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007725894	0	34	-1.0	-58.23	315.12	1.95	-56.28
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007725895	0	38	-1.0	-44.91	308.59	7.41	-37.50
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007725896	0	38	-1.0	-54.38	327.65	7.80	-46.58
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007725897	0	42	-1.0	-46.16	335.93	6.10	-40.06
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007725898	0	29	-1.0	-60.58	276.58	2.95	-57.63
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300007725899	0	32	-1.0	-45.98	294.23	4.83	-41.15
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1	REAL300007725900	0	43	-1.0	-45.12	345.05	7.23	-37.89
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300007725901	0	38	-1.0	-44.34	323.86	5.30	-39.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007725902	0	33	-1.0	-61.17	312.91	7.07	-54.10
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007725903	0	39	-1.0	-54.35	358.97	7.78	-46.57
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300007725904	0	34	-1.0	-52.18	306.43	5.02	-47.16
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007725905	0	39	-1.0	-52.53	358.88	7.75	-44.78
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300007725906	0	43	-1.0	-52.76	371.67	6.53	-46.23
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300007725907	0	55	-1.0	-43.85	403.50	9.92	-33.93
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300007725908	0	44	-1.0	-58.63	363.50	7.72	-50.91
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007725909	0	31	-1.0	-39.35	308.07	6.11	-33.24
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300007725910	0	38	-1.0	-59.38	323.19	6.17	-53.21
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300007725911	0	46	-1.0	-54.87	390.59	4.38	-50.49
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1	REAL300007725912	0	44	-1.0	-58.98	373.04	2.07	-56.91
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300007725913	0	33	-1.0	-41.01	293.71	5.80	-35.21
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300007725914	0	33	-1.0	-54.67	292.73	5.72	-48.95
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CC)CC(=O)[O-]	REAL300007725915	0	36	-1.0	-37.41	304.13	6.26	-31.15
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCOC)C=C1	REAL300007725916	0	38	-1.0	-44.40	331.18	4.95	-39.45
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300007725917	0	38	-1.0	-52.60	323.22	5.08	-47.52
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300007725918	0	44	-1.0	-43.53	366.52	6.78	-36.75
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007725919	0	42	-1.0	-52.87	343.75	6.39	-46.48
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300007725920	0	41	-1.0	-43.70	347.56	6.17	-37.53
CCCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007725921	0	38	-1.0	-43.60	327.46	5.48	-38.12
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300007725922	0	32	-1.0	-51.85	298.98	4.24	-47.61
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007725923	0	32	-1.0	-52.88	308.74	4.52	-48.36
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300007725924	0	41	-1.0	-53.52	342.83	5.98	-47.54
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300007725925	0	39	-1.0	-45.06	339.59	3.95	-41.11
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300007725926	0	31	-1.0	-42.13	286.77	5.75	-36.38
CCN(CC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300007725927	0	36	-1.0	-58.51	294.32	6.62	-51.89
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300007725928	0	37	-1.0	-63.02	317.79	2.12	-60.90
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007725929	0	40	-1.0	-55.34	362.50	2.24	-53.10
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007725930	0	38	-1.0	-45.89	328.59	7.84	-38.05
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007725931	0	31	-1.0	-55.88	310.58	6.14	-49.74
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300007725932	0	34	-1.0	-46.77	334.00	5.00	-41.77
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007725933	0	48	-1.0	-43.68	389.19	8.07	-35.61
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300007725934	0	36	-1.0	-56.06	318.00	2.03	-54.03
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300007725935	0	38	-1.0	-43.98	305.50	5.08	-38.90
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007725936	0	39	-1.0	-47.84	338.67	8.56	-39.28
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300007725937	0	38	-1.0	-44.50	312.20	4.92	-39.58
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300007725938	0	36	-1.0	-45.73	297.65	5.52	-40.21
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300007725939	0	33	-1.0	-42.31	299.29	4.92	-37.39
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007725940	0	35	-1.0	-54.04	324.39	5.08	-48.96
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007725941	0	42	-1.0	-53.94	364.72	7.67	-46.27
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007725942	0	38	-1.0	-53.63	340.05	5.95	-47.68
CCN(CC(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300007725943	0	50	-1.0	-53.83	386.69	7.12	-46.71
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007725944	0	36	-1.0	-51.98	328.18	1.16	-50.82
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007725945	0	43	-1.0	-47.87	376.33	3.57	-44.30
CCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C2=CC=CC=C12	REAL300007725946	0	41	-1.0	-59.07	345.05	7.11	-51.96
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CC)CC(=O)[O-]	REAL300007725947	0	38	-1.0	-48.23	320.63	5.89	-42.34
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007725948	0	33	-1.0	-57.32	302.67	4.61	-52.71
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007725949	0	35	-1.0	-54.77	314.63	5.49	-49.28
CCOCCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007725950	0	42	-1.0	-45.11	361.44	4.91	-40.20
CCCCCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C=C1	REAL300007725951	0	44	-1.0	-43.43	370.45	7.04	-36.39
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007725952	0	32	-1.0	-42.65	311.00	5.91	-36.74
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007725953	0	36	-1.0	-63.27	316.98	5.66	-57.61
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007725954	0	33	-1.0	-58.60	301.74	4.57	-54.03
CCOC1=CC=C(S(=O)(=O)N(CC)CC(=O)[O-])C(C)=C1	REAL300007725955	0	38	-1.0	-52.67	313.29	5.06	-47.61
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007725956	0	32	-1.0	-55.58	287.97	4.62	-50.96
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300007725957	0	46	-1.0	-47.47	391.51	4.43	-43.04
CCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007725958	0	34	-1.0	-41.53	315.21	6.17	-35.36
CCN(CC(=O)[O-])S(=O)(=O)N(CC)CC1=CC=CC=C1	REAL300007725959	0	39	-1.0	-56.21	321.02	6.05	-50.16
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007725960	0	34	-1.0	-57.92	292.98	4.13	-53.79
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007725961	0	40	-1.0	-56.29	343.15	6.25	-50.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300007725962	0	34	-1.0	-53.91	307.91	5.91	-48.00
CCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007725963	0	34	-1.0	-48.99	327.83	5.20	-43.79
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007725964	0	37	-1.0	-43.60	319.18	6.04	-37.56
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300007725965	0	36	-1.0	-44.72	320.74	4.15	-40.57
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007725966	0	39	-1.0	-49.84	328.73	5.80	-44.04
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(OC)C=C1OC	REAL300007725967	0	36	-1.0	-56.02	328.06	4.33	-51.69
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007725968	0	41	-1.0	-50.42	375.49	6.61	-43.81
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007725969	0	36	-1.0	-48.97	310.47	4.86	-44.11
CCN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007725970	0	31	-1.0	-46.30	303.06	6.05	-40.25
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300007725971	0	40	-1.0	-53.23	333.42	2.88	-50.35
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007725972	0	39	-1.0	-53.21	358.89	7.74	-45.47
CCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007725973	0	34	-1.0	-46.09	320.87	5.12	-40.97
CCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007725974	0	34	-1.0	-56.05	336.82	5.64	-50.41
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300007725975	0	37	-1.0	-56.35	329.84	3.46	-52.89
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007725976	0	31	-1.0	-51.88	278.08	2.65	-49.23
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300007725977	0	38	-1.0	-46.52	336.66	6.22	-40.30
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007725978	0	36	-1.0	-42.10	328.17	5.55	-36.55
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300007725979	0	33	-1.0	-49.41	297.68	5.57	-43.84
CCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300007725980	0	39	-1.0	-58.19	341.80	5.13	-53.06
CCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007725981	0	30	-1.0	-52.80	285.51	3.87	-48.93
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300007725982	0	37	-1.0	-54.77	320.72	7.32	-47.45
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007725983	0	34	-1.0	-41.50	314.39	6.45	-35.05
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007725984	0	40	-1.0	-55.93	327.69	4.94	-50.99
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007725985	0	30	-1.0	-50.17	288.25	3.62	-46.55
CCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300007725986	0	36	-1.0	-51.02	307.72	4.93	-46.09
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300007725987	0	36	-1.0	-52.10	307.01	6.07	-46.03
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300007725988	0	36	-1.0	-61.64	303.57	7.15	-54.49
CCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300007725989	0	36	-1.0	-54.75	311.54	6.41	-48.34
CCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(OC)C=C1	REAL300007725990	0	38	-1.0	-44.15	327.15	5.23	-38.92
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007725991	0	37	-1.0	-43.58	327.54	6.09	-37.49
CCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300007725992	0	36	-1.0	-55.31	308.63	2.80	-52.51
CCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300007725993	0	34	-1.0	-52.00	288.06	3.52	-48.48
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300007725994	0	32	-1.0	-50.92	299.01	4.25	-46.67
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300007725995	0	36	-1.0	-54.19	301.76	5.95	-48.24
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300007725996	0	36	-1.0	-40.16	304.29	6.46	-33.70
CCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300007725997	0	38	-1.0	-58.05	311.22	5.94	-52.11
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007725998	0	34	-1.0	-67.40	306.15	5.86	-61.54
CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007725999	0	35	-1.0	-60.31	309.46	4.15	-56.16
CCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007726000	0	30	-1.0	-61.96	282.59	4.24	-57.72
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727370	0	36	-1.0	-54.85	304.37	4.96	-49.89
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727371	0	43	-1.0	-55.66	358.13	5.24	-50.42
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C	REAL300007727372	0	43	-1.0	-55.35	365.37	1.71	-53.64
O=C([O-])CC1CCCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007727373	0	50	-1.0	-49.11	359.88	6.41	-42.70
CC1=NC2=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=CC=C2C=C1	REAL300007727374	0	40	-1.0	-58.43	331.23	6.54	-51.89
O=C([O-])CC1CCCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007727375	0	40	-1.0	-64.49	338.71	6.94	-57.55
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007727376	0	43	-1.0	-53.08	350.24	3.30	-49.78
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727377	0	46	-1.0	-55.41	391.73	6.21	-49.20
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727378	0	46	-1.0	-55.08	386.00	6.39	-48.69
CCCN1C=NC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727379	0	38	-1.0	-61.15	321.21	5.77	-55.38
COCCOCCOCCS(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727380	0	46	-1.0	-54.78	382.47	2.36	-52.42
CC(COC1CCCC1)CS(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727381	0	48	-1.0	-52.18	374.37	6.41	-45.77
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727382	0	39	-1.0	-49.33	341.22	5.06	-44.27
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007727383	0	40	-1.0	-50.61	332.26	2.76	-47.85
COC1=CC(Br)=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727384	0	36	-1.0	-50.25	323.40	4.68	-45.57
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007727385	0	36	-1.0	-53.25	314.03	5.22	-48.03
COC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007727386	0	38	-1.0	-49.79	328.66	5.52	-44.27
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727387	0	38	-1.0	-49.57	319.85	6.52	-43.05
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727388	0	38	-1.0	-53.92	319.52	6.53	-47.39
CC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC=C1C(F)(F)F	REAL300007727389	0	38	-1.0	-47.98	327.03	6.27	-41.71
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727390	0	41	-1.0	-52.48	315.35	6.56	-45.92
O=C([O-])CC1CCCN1S(=O)(=O)CCCN1CCOCC1	REAL300007727391	0	44	-1.0	-54.17	347.66	2.02	-52.15
CCOC1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727392	0	39	-1.0	-49.92	323.97	4.97	-44.95
COCCN1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=N1	REAL300007727393	0	39	-1.0	-48.17	332.76	2.37	-45.80
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007727394	0	39	-1.0	-56.86	338.20	5.59	-51.27
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1C	REAL300007727395	0	59	-1.0	-53.88	460.83	9.55	-44.33
O=C([O-])CC1CCCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007727396	0	40	-1.0	-54.60	346.99	7.21	-47.39
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007727397	0	37	-1.0	-56.06	313.86	5.09	-50.97
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007727398	0	35	-1.0	-52.96	320.04	6.21	-46.75
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300007727399	0	35	-1.0	-51.32	314.01	6.32	-45.00
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007727400	0	39	-1.0	-59.90	337.31	2.62	-57.28
CC1=CC(Br)=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727401	0	35	-1.0	-51.25	315.38	6.03	-45.22
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727402	0	35	-1.0	-47.49	300.40	5.72	-41.77
COCC1=CC=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727403	0	39	-1.0	-50.36	313.42	4.81	-45.55
COC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC=C1Br	REAL300007727404	0	36	-1.0	-48.29	322.51	4.73	-43.56
COC1=CC(OC)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1Cl	REAL300007727405	0	40	-1.0	-55.28	343.87	4.77	-50.51
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007727406	0	35	-1.0	-57.28	317.02	3.82	-53.46
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007727407	0	35	-1.0	-48.71	312.08	3.61	-45.10
CC1(C)CC2=CC(S(=O)(=O)N3CCCC3CC(=O)[O-])=CC=C2O1	REAL300007727408	0	43	-1.0	-52.36	351.63	6.26	-46.10
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007727409	0	35	-1.0	-49.73	311.88	4.12	-45.61
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727410	0	43	-1.0	-53.05	358.30	3.82	-49.23
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727411	0	44	-1.0	-56.51	377.51	4.26	-52.25
CSC1=CC=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727412	0	36	-1.0	-53.87	302.80	5.75	-48.12
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1F	REAL300007727413	0	40	-1.0	-54.00	349.97	1.48	-52.52
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727414	0	46	-1.0	-54.04	392.99	2.83	-51.21
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727415	0	43	-1.0	-68.08	359.06	4.71	-63.37
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1F	REAL300007727416	0	43	-1.0	-53.19	371.42	2.37	-50.82
CCC1=CC=C(CS(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727417	0	41	-1.0	-54.22	340.62	7.20	-47.02
O=C([O-])CC1CCCN1S(=O)(=O)CCC1=CC=CS1	REAL300007727418	0	35	-1.0	-53.13	309.46	5.63	-47.50
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007727419	0	47	-1.0	-56.85	386.36	5.21	-51.64
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007727420	0	44	-1.0	-53.77	369.92	4.66	-49.11
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727421	0	41	-1.0	-55.34	354.79	3.18	-52.16
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727422	0	42	-1.0	-65.26	358.64	2.40	-62.86
CC1=CC=C(CS(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C	REAL300007727423	0	41	-1.0	-52.79	337.17	6.80	-45.99
CCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1Br	REAL300007727424	0	39	-1.0	-47.32	344.37	5.67	-41.65
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007727425	0	46	-1.0	-55.95	381.59	7.72	-48.23
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007727426	0	36	-1.0	-52.79	324.36	5.67	-47.12
COC1=CC=C(Br)C(CS(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727427	0	39	-1.0	-54.06	343.45	5.63	-48.43
CC1(C)CN(S(=O)(=O)N2CCCC2CC(=O)[O-])CCO1	REAL300007727428	0	41	-1.0	-49.92	320.04	3.22	-46.70
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=C2S1	REAL300007727429	0	46	-1.0	-51.69	386.26	6.74	-44.95
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727430	0	39	-1.0	-54.53	337.90	6.06	-48.47
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCC3CC(=O)[O-])=CC=C21	REAL300007727431	0	44	-1.0	-51.80	363.32	6.29	-45.51
CCS(=O)(=O)NCCS(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727432	0	39	-1.0	-56.26	337.41	-0.22	-56.48
CC1=C(S(=O)(=O)N2CCCC2CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007727433	0	38	-1.0	-48.26	325.47	6.26	-42.00
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007727434	0	35	-1.0	-49.68	329.53	6.96	-42.72
CC1=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007727435	0	38	-1.0	-56.10	338.71	7.82	-48.28
O=C([O-])CC1CCCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007727436	0	35	-1.0	-49.37	321.59	6.75	-42.62
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007727437	0	38	-1.0	-52.99	325.43	7.63	-45.36
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007727438	0	38	-1.0	-52.75	334.81	6.83	-45.92
O=C([O-])CC1CCCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007727439	0	43	-1.0	-53.73	354.71	6.38	-47.35
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007727440	0	46	-1.0	-53.69	383.86	8.43	-45.26
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727441	0	45	-1.0	-55.40	380.37	6.57	-48.83
O=C([O-])CC1CCCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007727442	0	43	-1.0	-57.62	373.99	2.11	-55.51
CC1=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007727443	0	41	-1.0	-54.75	341.87	7.91	-46.84
CC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1N(C)C	REAL300007727444	0	43	-1.0	-51.52	347.24	5.33	-46.19
O=C([O-])CC1CCCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007727445	0	38	-1.0	-55.19	335.43	6.99	-48.20
O=C([O-])CC1CCCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007727446	0	37	-1.0	-56.87	308.04	2.01	-54.86
O=C([O-])CC1CCCN1S(=O)(=O)CCOCC1CCCC1	REAL300007727447	0	45	-1.0	-51.41	358.73	5.51	-45.90
COC1=CC(C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1Cl	REAL300007727448	0	39	-1.0	-53.47	328.80	5.48	-47.99
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727449	0	41	-1.0	-64.14	359.45	3.11	-61.03
CSC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1Cl	REAL300007727450	0	36	-1.0	-47.26	327.81	6.24	-41.02
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727451	0	44	-1.0	-53.56	340.06	5.14	-48.42
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007727452	0	40	-1.0	-53.83	343.79	3.29	-50.54
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=C12	REAL300007727453	0	39	-1.0	-53.69	335.47	2.72	-50.97
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007727454	0	43	-1.0	-48.29	369.65	4.60	-43.69
CN1N=CC2=CC(S(=O)(=O)N3CCCC3CC(=O)[O-])=CN=C21	REAL300007727455	0	37	-1.0	-53.97	318.55	4.15	-49.82
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007727456	0	38	-1.0	-51.55	341.40	7.90	-43.65
CCC1=CC(CC)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(CC)=C1	REAL300007727457	0	50	-1.0	-51.57	376.06	9.59	-41.98
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007727458	0	39	-1.0	-54.96	319.67	5.06	-49.90
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007727459	0	38	-1.0	-49.31	342.82	3.09	-46.22
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007727460	0	41	-1.0	-59.21	341.13	8.95	-50.26
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C)=C1F	REAL300007727461	0	39	-1.0	-50.07	315.66	4.88	-45.19
CC1(CS(=O)(=O)N2CCCC2CC(=O)[O-])CCCCC1	REAL300007727462	0	44	-1.0	-52.89	323.48	6.53	-46.36
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007727463	0	41	-1.0	-53.05	334.86	6.45	-46.60
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007727465	0	40	-1.0	-51.28	343.27	6.32	-44.96
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727466	0	39	-1.0	-51.44	344.43	4.97	-46.47
CC1=CC=C(CS(=O)(=O)N2CCCC2CC(=O)[O-])C(F)=C1	REAL300007727467	0	38	-1.0	-52.35	324.04	6.47	-45.88
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007727469	0	32	-1.0	-46.85	306.46	5.21	-41.64
O=C([O-])CC1CCCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007727470	0	45	-1.0	-54.58	362.73	8.34	-46.24
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCC2CC(=O)[O-])=NO1	REAL300007727471	0	43	-1.0	-57.15	355.44	5.76	-51.39
O=C([O-])CC1CCCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007727472	0	41	-1.0	-62.18	336.40	2.03	-60.15
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007727473	0	35	-1.0	-49.38	310.06	5.47	-43.91
CC1=C(CCS(=O)(=O)N2CCCC2CC(=O)[O-])SC=N1	REAL300007727474	0	37	-1.0	-53.38	323.21	4.28	-49.10
O=C([O-])CC1CCCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300007727475	0	42	-1.0	-51.13	323.79	6.25	-44.88
COC1=CC=C2C=C(S(=O)(=O)N3CCCC3CC(=O)[O-])CCC2=C1	REAL300007727476	0	44	-1.0	-52.53	358.21	6.72	-45.81
O=C([O-])CC1CCCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300007727477	0	45	-1.0	-50.87	332.49	6.87	-44.00
CC(C)(CCS(=O)(=O)N1CCCC1CC(=O)[O-])S(C)(=O)=O	REAL300007727478	0	43	-1.0	-66.40	346.80	2.15	-64.25
O=C([O-])CC1CCCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007727479	0	41	-1.0	-50.84	326.20	6.20	-44.64
O=C([O-])CC1CCCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007727480	0	39	-1.0	-52.47	327.06	7.03	-45.44
CCC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007727481	0	40	-1.0	-59.17	336.57	6.86	-52.31
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007727482	0	32	-1.0	-48.81	290.56	5.56	-43.25
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007727483	0	32	-1.0	-48.71	295.13	5.67	-43.04
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007727484	0	34	-1.0	-48.82	302.07	5.70	-43.12
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007727485	0	38	-1.0	-53.59	320.15	7.29	-46.30
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007727486	0	34	-1.0	-46.58	300.85	5.42	-41.16
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727487	0	37	-1.0	-58.45	309.00	6.21	-52.24
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007727488	0	34	-1.0	-62.85	294.91	6.57	-56.28
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727489	0	39	-1.0	-53.68	341.13	6.44	-47.24
CCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727490	0	39	-1.0	-51.72	325.19	5.27	-46.45
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1C	REAL300007727491	0	44	-1.0	-51.23	331.41	7.57	-43.66
CC1=CC(C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C)=C1	REAL300007727492	0	41	-1.0	-50.74	318.69	7.14	-43.60
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727493	0	47	-1.0	-53.79	356.98	7.86	-45.93
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007727494	0	35	-1.0	-46.84	311.68	5.76	-41.08
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007727495	0	35	-1.0	-49.17	291.74	6.30	-42.87
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007727496	0	32	-1.0	-47.30	289.34	5.28	-42.02
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727497	0	37	-1.0	-56.03	314.31	5.43	-50.60
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007727498	0	38	-1.0	-47.83	328.11	5.51	-42.32
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727499	0	44	-1.0	-51.18	350.04	7.36	-43.82
CC(C)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727500	0	41	-1.0	-51.20	334.06	6.97	-44.23
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727501	0	43	-1.0	-54.43	369.35	3.03	-51.40
CCCC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727502	0	41	-1.0	-51.14	338.23	7.26	-43.88
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1Br	REAL300007727503	0	36	-1.0	-47.70	322.51	4.74	-42.96
CC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC=C1Br	REAL300007727504	0	35	-1.0	-48.36	312.09	5.94	-42.42
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=C2)=C1	REAL300007727505	0	46	-1.0	-52.07	384.53	8.54	-43.53
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007727506	0	36	-1.0	-47.72	319.83	4.83	-42.89
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C)=C1C	REAL300007727507	0	47	-1.0	-52.21	344.33	7.92	-44.29
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007727508	0	41	-1.0	-50.36	335.42	4.72	-45.64
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727509	0	48	-1.0	-55.42	374.10	7.19	-48.23
CC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007727510	0	37	-1.0	-60.14	317.13	5.95	-54.19
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727511	0	36	-1.0	-54.00	319.26	5.51	-48.49
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727512	0	50	-1.0	-50.13	374.17	8.81	-41.32
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007727513	0	35	-1.0	-48.57	312.58	6.04	-42.53
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007727514	0	42	-1.0	-52.93	336.93	7.51	-45.42
COC1=CC=C(OC)C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727515	0	40	-1.0	-57.52	327.42	4.18	-53.34
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1OC	REAL300007727516	0	40	-1.0	-50.53	331.33	3.97	-46.56
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007727517	0	39	-1.0	-51.10	318.17	6.67	-44.43
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007727518	0	40	-1.0	-52.65	328.73	7.43	-45.22
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007727519	0	37	-1.0	-51.96	310.13	4.87	-47.09
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727520	0	47	-1.0	-51.11	377.29	8.55	-42.56
CCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1OCC	REAL300007727521	0	46	-1.0	-50.18	375.03	5.81	-44.37
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727522	0	37	-1.0	-55.77	328.08	0.00	-55.77
CC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007727523	0	40	-1.0	-58.07	337.48	6.62	-51.45
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1C	REAL300007727524	0	40	-1.0	-57.11	328.76	6.86	-50.25
CC1=CC2=CC=CC(S(=O)(=O)N3CCCC3CC(=O)[O-])=C2N=C1	REAL300007727525	0	40	-1.0	-57.52	331.53	6.59	-50.93
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007727526	0	38	-1.0	-59.70	324.22	5.86	-53.84
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727527	0	36	-1.0	-50.88	315.23	5.43	-45.45
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727528	0	37	-1.0	-54.07	326.86	-0.29	-54.36
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007727529	0	44	-1.0	-63.15	381.68	2.57	-60.58
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727530	0	40	-1.0	-52.17	341.53	6.61	-45.56
O=C([O-])CC1CCCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007727531	0	41	-1.0	-51.39	330.63	6.31	-45.08
CC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=CC=CN=C12	REAL300007727532	0	40	-1.0	-53.12	323.92	6.08	-47.04
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C	REAL300007727533	0	40	-1.0	-61.21	333.21	7.77	-53.44
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727534	0	43	-1.0	-52.93	368.13	2.75	-50.18
O=C([O-])CC1CCCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007727535	0	44	-1.0	-55.24	360.13	4.35	-50.89
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727536	0	38	-1.0	-56.54	333.33	2.28	-54.26
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007727537	0	42	-1.0	-52.71	332.11	8.30	-44.41
CC1CC(C)CN(S(=O)(=O)N2CCCC2CC(=O)[O-])C1	REAL300007727538	0	43	-1.0	-49.89	325.86	5.49	-44.40
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007727539	0	38	-1.0	-53.98	308.73	7.13	-46.85
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007727540	0	42	-1.0	-52.41	348.02	8.45	-43.96
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727541	0	35	-1.0	-52.40	288.48	5.26	-47.14
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=CC=C12	REAL300007727542	0	46	-1.0	-52.21	362.16	6.97	-45.24
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007727543	0	33	-1.0	-53.33	294.92	3.48	-49.85
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727544	0	36	-1.0	-54.12	314.69	5.41	-48.71
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727545	0	47	-1.0	-51.21	364.27	7.83	-43.38
CC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1Cl	REAL300007727546	0	35	-1.0	-49.38	309.68	6.13	-43.25
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727547	0	42	-1.0	-51.17	344.12	5.91	-45.26
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007727548	0	35	-1.0	-53.01	315.48	6.11	-46.90
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007727549	0	33	-1.0	-50.55	288.72	3.81	-46.74
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007727550	0	37	-1.0	-56.16	333.54	7.56	-48.60
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007727551	0	37	-1.0	-58.16	310.12	5.94	-52.22
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007727552	0	43	-1.0	-53.21	379.81	8.42	-44.79
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727553	0	38	-1.0	-49.70	326.71	5.58	-44.12
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1F	REAL300007727554	0	36	-1.0	-47.71	308.32	4.14	-43.57
CC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1F	REAL300007727555	0	35	-1.0	-49.25	300.94	5.73	-43.52
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007727556	0	43	-1.0	-50.55	379.73	8.43	-42.12
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=C2)C=C1	REAL300007727557	0	47	-1.0	-53.10	392.62	7.16	-45.94
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C(C)C)=C1	REAL300007727558	0	59	-1.0	-50.90	430.34	10.99	-39.91
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=CC=CC=C12	REAL300007727559	0	48	-1.0	-53.31	376.57	8.05	-45.26
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007727560	0	35	-1.0	-50.69	329.23	6.72	-43.97
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=CC=CC=C12	REAL300007727561	0	42	-1.0	-53.54	337.05	6.47	-47.07
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727562	0	37	-1.0	-49.58	309.34	6.19	-43.39
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727563	0	37	-1.0	-48.49	304.15	6.05	-42.44
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727564	0	40	-1.0	-57.22	328.88	6.70	-50.52
CC(C)CC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727565	0	44	-1.0	-51.27	354.95	7.73	-43.54
COCCC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727566	0	42	-1.0	-51.57	350.40	5.55	-46.02
COCCN(CCOC)S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727567	0	44	-1.0	-50.26	352.04	2.35	-47.91
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727568	0	35	-1.0	-51.33	298.79	5.72	-45.61
COC1=C(C)C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C	REAL300007727569	0	42	-1.0	-50.65	346.47	5.66	-44.99
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727570	0	48	-1.0	-50.13	385.74	7.37	-42.76
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007727571	0	46	-1.0	-50.88	369.22	7.27	-43.61
CC(C)COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727572	0	45	-1.0	-50.20	366.78	6.76	-43.44
CCCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727573	0	42	-1.0	-51.29	346.69	6.07	-45.22
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1Cl	REAL300007727574	0	36	-1.0	-47.67	318.13	4.63	-43.04
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007727575	0	36	-1.0	-50.18	327.88	4.89	-45.29
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C	REAL300007727576	0	39	-1.0	-52.64	323.78	5.06	-47.58
CC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC=C1OC(C)C	REAL300007727577	0	45	-1.0	-51.72	362.96	6.40	-45.32
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C)=C1	REAL300007727578	0	39	-1.0	-52.02	310.56	4.84	-47.18
COCCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727579	0	43	-1.0	-52.15	358.81	4.54	-47.61
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300007727580	0	35	-1.0	-52.54	302.63	5.79	-46.75
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727581	0	35	-1.0	-49.80	302.40	6.14	-43.66
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1C	REAL300007727582	0	40	-1.0	-48.22	315.53	6.93	-41.29
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727583	0	41	-1.0	-59.70	341.49	3.06	-56.64
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007727584	0	44	-1.0	-54.07	382.83	2.89	-51.18
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727585	0	40	-1.0	-54.64	350.46	1.21	-53.43
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727586	0	40	-1.0	-52.81	337.10	3.00	-49.81
CC1=NC(C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])S1	REAL300007727587	0	34	-1.0	-50.10	302.07	3.29	-46.81
O=C([O-])CC1CCCN1S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007727588	0	35	-1.0	-51.38	304.37	6.23	-45.15
COC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC=C1F	REAL300007727589	0	36	-1.0	-48.40	308.32	4.14	-44.26
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007727590	0	42	-1.0	-51.04	346.80	8.18	-42.86
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007727591	0	35	-1.0	-51.02	330.78	6.78	-44.24
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC3CC(=O)[O-])S2)=CS1	REAL300007727592	0	38	-1.0	-52.44	353.34	5.57	-46.87
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007727593	0	52	-1.0	-51.30	408.42	8.66	-42.64
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727594	0	40	-1.0	-58.20	331.47	6.60	-51.60
CNC(=O)C1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CN1C	REAL300007727595	0	40	-1.0	-54.71	338.14	2.67	-52.04
COC1=CC(C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C)=C1	REAL300007727596	0	42	-1.0	-50.83	327.40	5.77	-45.06
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007727597	0	43	-1.0	-53.58	358.42	9.13	-44.45
COC1=CC(C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C	REAL300007727598	0	42	-1.0	-53.36	330.30	5.57	-47.79
CC1=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300007727599	0	40	-1.0	-53.51	320.19	6.25	-47.26
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007727600	0	37	-1.0	-53.43	303.40	5.34	-48.09
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCCC1CC(=O)[O-])=C2	REAL300007727601	0	45	-1.0	-53.24	372.43	8.60	-44.64
CCN1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007727602	0	37	-1.0	-50.20	320.36	5.76	-44.44
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007727603	0	39	-1.0	-53.42	344.76	5.73	-47.69
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007727604	0	46	-1.0	-51.50	385.09	8.33	-43.17
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727605	0	40	-1.0	-65.25	335.68	6.04	-59.21
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007727606	0	42	-1.0	-49.34	360.13	6.35	-42.99
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007727607	0	35	-1.0	-62.73	301.98	4.22	-58.51
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727608	0	54	-1.0	-52.63	412.27	8.00	-44.63
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727609	0	40	-1.0	-59.36	347.40	1.76	-57.60
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007727610	0	35	-1.0	-53.83	305.16	5.66	-48.17
CCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=CC=CC=C12	REAL300007727611	0	45	-1.0	-53.17	358.90	7.40	-45.77
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727612	0	42	-1.0	-54.65	341.24	6.48	-48.17
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007727613	0	37	-1.0	-54.88	320.88	4.94	-49.94
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007727614	0	39	-1.0	-54.98	334.75	5.91	-49.07
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727615	0	46	-1.0	-52.19	380.66	5.50	-46.69
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727616	0	48	-1.0	-51.20	389.69	7.63	-43.57
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007727617	0	42	-1.0	-50.86	322.66	7.02	-43.84
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007727618	0	38	-1.0	-51.16	324.38	6.76	-44.40
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007727619	0	36	-1.0	-47.61	330.23	6.51	-41.10
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007727620	0	37	-1.0	-52.74	310.19	4.30	-48.44
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007727621	0	40	-1.0	-61.01	338.63	6.13	-54.88
O=C([O-])CC1CCCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007727622	0	38	-1.0	-62.79	314.44	1.51	-61.28
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007727623	0	37	-1.0	-52.34	322.09	5.22	-47.12
CCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C)=C1	REAL300007727624	0	42	-1.0	-50.13	333.39	5.42	-44.71
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727625	0	40	-1.0	-52.53	349.22	0.93	-51.60
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007727626	0	36	-1.0	-53.86	308.17	5.15	-48.71
CSC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727627	0	36	-1.0	-51.67	314.04	6.06	-45.61
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007727628	0	38	-1.0	-55.06	336.03	6.75	-48.31
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727629	0	43	-1.0	-52.87	346.34	6.97	-45.90
CCN1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])N=C1C	REAL300007727630	0	38	-1.0	-62.43	319.50	4.79	-57.64
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007727631	0	38	-1.0	-54.25	313.21	4.71	-49.54
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=NC=CC=C12	REAL300007727632	0	37	-1.0	-52.65	303.80	5.25	-47.40
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007727633	0	44	-1.0	-54.27	367.54	7.03	-47.24
CC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C(F)(F)F	REAL300007727634	0	38	-1.0	-53.71	327.04	6.27	-47.44
O=C([O-])CC1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007727635	0	38	-1.0	-57.28	346.72	5.78	-51.50
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007727636	0	41	-1.0	-56.00	339.05	6.61	-49.39
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=C12	REAL300007727637	0	40	-1.0	-53.58	339.03	4.46	-49.12
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727638	0	39	-1.0	-53.84	342.21	5.64	-48.20
COCC1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727639	0	39	-1.0	-50.95	327.68	4.48	-46.47
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCC3CC(=O)[O-])=C2O1	REAL300007727640	0	43	-1.0	-52.90	352.45	6.01	-46.89
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007727641	0	35	-1.0	-51.58	310.81	6.21	-45.37
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007727642	0	44	-1.0	-61.30	370.43	3.54	-57.76
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007727643	0	39	-1.0	-53.03	343.73	5.56	-47.47
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007727644	0	40	-1.0	-58.78	339.26	5.72	-53.06
O=C([O-])CC1CCCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007727645	0	35	-1.0	-54.00	324.78	6.65	-47.35
CC1CC2=CC(S(=O)(=O)N3CCCC3CC(=O)[O-])=CC=C2O1	REAL300007727646	0	40	-1.0	-51.82	331.16	5.62	-46.20
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727647	0	44	-1.0	-51.61	333.11	7.79	-43.82
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727648	0	44	-1.0	-56.90	355.25	3.73	-53.17
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007727649	0	43	-1.0	-51.80	379.86	8.38	-43.42
O=C([O-])CC1CCCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007727650	0	38	-1.0	-51.56	340.32	5.71	-45.85
O=C([O-])CC1CCCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007727651	0	38	-1.0	-56.98	357.04	6.23	-50.75
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=C2)=CO1	REAL300007727652	0	41	-1.0	-53.41	350.23	4.10	-49.31
CN1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C(F)(F)F)=N1	REAL300007727653	0	35	-1.0	-49.43	303.53	3.60	-45.83
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007727654	0	35	-1.0	-51.66	303.65	5.41	-46.25
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007727655	0	35	-1.0	-48.71	298.70	3.42	-45.29
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=N1	REAL300007727656	0	35	-1.0	-49.44	301.39	1.71	-47.73
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007727657	0	40	-1.0	-50.69	326.31	5.38	-45.31
O=C([O-])CC1CCCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007727658	0	39	-1.0	-51.62	319.03	6.92	-44.70
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=N2)C=C1	REAL300007727659	0	42	-1.0	-50.46	356.09	6.57	-43.89
CC1CC2=CC(S(=O)(=O)N3CCCC3CC(=O)[O-])=CC(Cl)=C2O1	REAL300007727660	0	40	-1.0	-53.28	346.40	5.86	-47.42
CC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007727661	0	37	-1.0	-48.26	317.43	5.99	-42.27
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=N1	REAL300007727662	0	43	-1.0	-53.40	361.86	5.53	-47.87
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007727663	0	34	-1.0	-52.85	306.20	4.49	-48.36
CN(C)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727664	0	40	-1.0	-53.08	325.32	5.45	-47.63
CC1=CC2=CC=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=C2C=C1	REAL300007727665	0	41	-1.0	-53.48	341.49	7.95	-45.53
COC1=C(S(=O)(=O)N2CCCC2CC(=O)[O-])SC=C1	REAL300007727666	0	33	-1.0	-55.99	294.52	3.97	-52.02
CN(C)C1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727667	0	40	-1.0	-51.54	324.13	5.16	-46.38
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007727668	0	37	-1.0	-54.70	307.75	4.91	-49.79
O=C([O-])CC1CCCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007727669	0	37	-1.0	-53.97	320.67	5.09	-48.88
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007727670	0	37	-1.0	-50.39	308.44	4.61	-45.78
O=C([O-])CC1CCCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007727671	0	38	-1.0	-51.30	335.50	7.06	-44.24
CN1CCCC2=CC=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=C21	REAL300007727672	0	44	-1.0	-54.30	348.11	5.56	-48.74
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007727673	0	34	-1.0	-47.41	309.70	4.33	-43.08
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727674	0	40	-1.0	-58.22	327.83	5.51	-52.71
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727675	0	40	-1.0	-47.95	325.55	6.71	-41.24
CC1=CC=C(C)C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1[N+](=O)[O-]	REAL300007727676	0	40	-1.0	-67.85	326.16	7.91	-59.94
CC1=CC(C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007727677	0	40	-1.0	-58.69	325.34	6.73	-51.96
COC1=CC=C(CCS(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727678	0	42	-1.0	-52.59	348.28	5.84	-46.75
COC1=CN=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727679	0	35	-1.0	-52.03	298.79	2.50	-49.53
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])S1	REAL300007727680	0	41	-1.0	-50.45	346.89	6.67	-43.78
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007727681	0	39	-1.0	-50.66	322.11	6.88	-43.78
COC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC(OC)=C1	REAL300007727682	0	40	-1.0	-54.53	333.21	3.63	-50.90
O=C([O-])CC1CCCN1S(=O)(=O)CCC1CCCCC1	REAL300007727683	0	44	-1.0	-52.58	340.00	6.72	-45.86
CC1=CC=C(CCS(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727684	0	41	-1.0	-51.84	340.22	7.22	-44.62
CC1=CC2=C(C=C1S(=O)(=O)N1CCCC1CC(=O)[O-])OCO2	REAL300007727685	0	38	-1.0	-53.78	309.32	4.28	-49.50
O=C([O-])CC1CCCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007727686	0	35	-1.0	-55.27	298.16	5.34	-49.93
COC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC=C1Cl	REAL300007727687	0	36	-1.0	-48.26	318.13	4.62	-43.64
CN1C=NC2=CC(S(=O)(=O)N3CCCC3CC(=O)[O-])=CC=C21	REAL300007727688	0	38	-1.0	-62.11	322.49	6.36	-55.75
CC1=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007727689	0	40	-1.0	-64.37	321.83	6.56	-57.81
CC1=NC2=CC=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=C2O1	REAL300007727690	0	37	-1.0	-53.82	316.27	2.43	-51.39
CCC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1CC	REAL300007727691	0	44	-1.0	-52.79	351.28	7.58	-45.21
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727692	0	40	-1.0	-46.95	326.19	7.15	-39.80
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727693	0	42	-1.0	-53.94	333.02	6.57	-47.37
CC1=C(C)SC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727694	0	35	-1.0	-51.19	306.85	5.41	-45.78
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727695	0	33	-1.0	-49.01	289.93	2.95	-46.06
CCC1=NC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])S1	REAL300007727696	0	34	-1.0	-48.59	304.22	3.42	-45.17
CN(C)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=N1	REAL300007727697	0	39	-1.0	-52.15	323.54	4.74	-47.41
CC1=CC(C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])S1	REAL300007727698	0	35	-1.0	-52.64	302.12	5.28	-47.36
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007727699	0	38	-1.0	-56.28	311.57	6.69	-49.59
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007727700	0	35	-1.0	-52.64	298.27	3.68	-48.96
CC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC(C)=C1F	REAL300007727701	0	38	-1.0	-48.38	319.65	6.09	-42.29
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007727702	0	39	-1.0	-61.73	328.63	4.50	-57.23
O=C([O-])CC1CCCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007727703	0	45	-1.0	-54.33	374.34	6.59	-47.74
O=C([O-])CC1CCCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007727704	0	36	-1.0	-54.87	305.17	4.91	-49.96
O=C([O-])CC1CCCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007727705	0	34	-1.0	-55.24	302.43	4.64	-50.60
CC1=NC(CS(=O)(=O)N2CCCC2CC(=O)[O-])=CS1	REAL300007727706	0	34	-1.0	-56.93	303.90	3.44	-53.49
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007727707	0	35	-1.0	-53.18	314.48	6.29	-46.89
CC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC=C1Cl	REAL300007727708	0	35	-1.0	-48.34	308.06	5.86	-42.48
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007727709	0	38	-1.0	-55.20	322.30	6.00	-49.20
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=C2)=N1	REAL300007727710	0	41	-1.0	-53.29	360.07	6.51	-46.78
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007727711	0	40	-1.0	-55.29	322.10	6.31	-48.98
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007727712	0	39	-1.0	-59.95	339.31	2.88	-57.07
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007727713	0	41	-1.0	-51.49	334.98	5.24	-46.25
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007727714	0	35	-1.0	-52.20	317.15	6.27	-45.93
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727715	0	57	-1.0	-51.12	454.18	9.97	-41.15
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727716	0	45	-1.0	-56.12	363.13	6.43	-49.69
COC(CS(=O)(=O)N1CCCC1CC(=O)[O-])C1CCCC1	REAL300007727717	0	45	-1.0	-52.37	347.99	5.15	-47.22
COC(CS(=O)(=O)N1CCCC1CC(=O)[O-])C1CCCCC1	REAL300007727718	0	48	-1.0	-52.61	365.36	6.05	-46.56
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007727719	0	46	-1.0	-48.67	390.07	8.12	-40.55
CCOC(CS(=O)(=O)N1CCCC1CC(=O)[O-])C1CC1	REAL300007727720	0	42	-1.0	-55.29	342.77	5.22	-50.07
CCCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C(C)C	REAL300007727721	0	51	-1.0	-49.31	404.06	7.81	-41.50
CCC1=NC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CN1CC1CC1	REAL300007727722	0	45	-1.0	-54.59	372.54	6.96	-47.63
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007727723	0	35	-1.0	-51.18	313.63	4.51	-46.67
CC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007727724	0	40	-1.0	-48.94	329.65	7.10	-41.84
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727725	0	39	-1.0	-49.64	318.90	4.81	-44.83
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007727726	0	45	-1.0	-48.03	369.70	6.88	-41.15
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727727	0	35	-1.0	-48.92	313.94	3.63	-45.29
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007727728	0	43	-1.0	-49.32	372.91	8.77	-40.55
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007727729	0	42	-1.0	-54.16	335.07	7.86	-46.30
CCC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C(C)C=C1OC	REAL300007727730	0	45	-1.0	-53.59	352.30	6.32	-47.27
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007727731	0	38	-1.0	-48.37	345.05	6.92	-41.45
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC2CC(=O)[O-])=N1	REAL300007727732	0	34	-1.0	-58.47	299.23	3.94	-54.53
CC1=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300007727733	0	41	-1.0	-57.29	325.33	8.14	-49.15
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=N1	REAL300007727734	0	41	-1.0	-50.58	341.83	3.28	-47.30
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727735	0	36	-1.0	-49.30	302.64	5.17	-44.13
CCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C(C)C	REAL300007727736	0	48	-1.0	-49.60	382.56	7.01	-42.59
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1F	REAL300007727737	0	44	-1.0	-53.12	350.81	7.01	-46.11
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007727738	0	51	-1.0	-52.50	399.16	9.57	-42.93
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727739	0	42	-1.0	-49.27	332.02	5.14	-44.13
CN1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C(C)(C)C)=N1	REAL300007727740	0	44	-1.0	-54.50	345.85	5.42	-49.08
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007727741	0	42	-1.0	-48.71	340.48	5.11	-43.60
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727742	0	35	-1.0	-44.37	300.71	3.69	-40.68
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727743	0	39	-1.0	-53.96	331.89	5.19	-48.77
C=CCCC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727744	0	42	-1.0	-51.07	351.04	7.82	-43.25
CCC1=NN(C)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727745	0	38	-1.0	-51.34	306.03	3.71	-47.63
CCCCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C(C)C	REAL300007727746	0	54	-1.0	-51.63	426.42	8.61	-43.02
O=C([O-])CC1CCCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007727747	0	36	-1.0	-50.04	322.42	6.74	-43.30
CCCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C(C)(C)C	REAL300007727748	0	54	-1.0	-52.21	417.27	8.50	-43.71
CCCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1CC	REAL300007727749	0	48	-1.0	-51.30	387.16	7.28	-44.02
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727750	0	38	-1.0	-47.87	314.41	6.96	-40.91
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727751	0	38	-1.0	-51.46	334.28	6.97	-44.49
O=C([O-])CC1CCCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007727752	0	36	-1.0	-51.12	319.98	6.65	-44.47
CCCC1=CC=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727753	0	41	-1.0	-54.12	327.24	7.51	-46.61
COC1=NC=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727754	0	35	-1.0	-50.14	298.83	1.97	-48.17
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727755	0	48	-1.0	-55.57	389.34	7.81	-47.76
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007727756	0	37	-1.0	-53.00	303.82	5.31	-47.69
CC1=CSC(C)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727757	0	35	-1.0	-49.60	293.76	5.59	-44.01
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007727758	0	39	-1.0	-50.35	324.12	4.69	-45.66
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007727759	0	39	-1.0	-52.26	321.24	4.83	-47.43
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007727760	0	42	-1.0	-47.87	336.63	5.82	-42.05
CC1(C)COC2=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=NN2C1	REAL300007727761	0	43	-1.0	-56.05	346.09	3.11	-52.94
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007727762	0	38	-1.0	-51.33	341.02	5.73	-45.60
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300007727763	0	39	-1.0	-50.56	315.63	5.14	-45.42
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C(C)C	REAL300007727764	0	57	-1.0	-51.55	447.91	9.39	-42.16
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C	REAL300007727765	0	48	-1.0	-53.17	365.44	6.64	-46.53
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727766	0	42	-1.0	-53.07	347.33	6.32	-46.75
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C(C)C	REAL300007727767	0	55	-1.0	-51.58	438.04	7.23	-44.35
CC1CC2=CC=CC(S(=O)(=O)N3CCCC3CC(=O)[O-])=C2O1	REAL300007727768	0	40	-1.0	-54.72	328.97	5.70	-49.02
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])S1	REAL300007727769	0	40	-1.0	-49.07	342.88	4.49	-44.58
O=C([O-])CC1CCCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007727770	0	38	-1.0	-54.38	323.83	5.48	-48.90
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727771	0	37	-1.0	-61.04	315.56	4.58	-56.46
O=C([O-])CC1CCCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007727772	0	41	-1.0	-51.48	318.00	4.89	-46.59
O=C([O-])CC1CCCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007727773	0	36	-1.0	-50.70	324.81	5.46	-45.24
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007727774	0	33	-1.0	-45.62	287.73	3.54	-42.08
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007727775	0	35	-1.0	-51.55	312.73	6.44	-45.11
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727776	0	39	-1.0	-51.86	324.71	4.72	-47.14
CC1=CC(C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C)=C1F	REAL300007727777	0	41	-1.0	-51.63	322.51	7.13	-44.50
COC1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1OC	REAL300007727778	0	40	-1.0	-51.98	325.62	4.93	-47.05
O=C([O-])CC1CCCN1S(=O)(=O)C1=COC2=CC=CC=C21	REAL300007727779	0	35	-1.0	-52.08	300.30	5.21	-46.87
CN1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C2CCCC2)=N1	REAL300007727780	0	45	-1.0	-50.20	357.16	5.38	-44.82
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727781	0	44	-1.0	-54.52	352.13	5.63	-48.89
CCCCN1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C)=N1	REAL300007727782	0	44	-1.0	-51.19	357.48	5.68	-45.51
CN1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C2CC2)=N1	REAL300007727783	0	39	-1.0	-52.55	324.85	4.81	-47.74
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007727784	0	36	-1.0	-54.02	313.08	4.62	-49.40
CN1N=NC2=C(S(=O)(=O)N3CCCC3CC(=O)[O-])C=CC=C21	REAL300007727785	0	37	-1.0	-58.43	314.46	3.58	-54.85
CC1=CC(C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1Br	REAL300007727786	0	38	-1.0	-53.33	320.27	6.71	-46.62
CC1(C)CCCN(S(=O)(=O)N2CCCC2CC(=O)[O-])C1	REAL300007727787	0	43	-1.0	-51.05	328.36	5.38	-45.67
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007727788	0	38	-1.0	-48.25	342.04	6.19	-42.06
CN1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C2CCC2)=N1	REAL300007727789	0	42	-1.0	-51.85	340.33	5.28	-46.57
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727790	0	50	-1.0	-53.21	378.16	8.55	-44.66
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007727791	0	38	-1.0	-46.58	343.81	6.64	-39.94
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007727792	0	42	-1.0	-48.18	348.10	5.43	-42.75
O=C([O-])CC1CCCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007727793	0	36	-1.0	-52.46	313.75	5.92	-46.54
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007727794	0	43	-1.0	-53.70	367.10	7.88	-45.82
COC1=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007727795	0	41	-1.0	-63.87	338.67	6.20	-57.67
CCCC1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727796	0	41	-1.0	-50.19	337.01	6.97	-43.22
CN1N=C2CCCC2=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727797	0	39	-1.0	-50.89	318.80	4.54	-46.35
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727798	0	41	-1.0	-49.32	321.28	4.79	-44.53
CC(C)(C)N1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=N1	REAL300007727799	0	41	-1.0	-48.73	338.67	4.50	-44.23
O=C([O-])CC1CCCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007727800	0	39	-1.0	-50.31	316.85	3.93	-46.38
CC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CN=C1C(F)(F)F	REAL300007727801	0	37	-1.0	-50.86	323.88	4.54	-46.32
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007727802	0	35	-1.0	-48.60	319.69	6.10	-42.50
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727803	0	43	-1.0	-65.15	357.18	6.80	-58.35
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007727804	0	43	-1.0	-53.35	342.51	8.12	-45.23
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007727805	0	38	-1.0	-50.19	336.23	6.09	-44.10
O=C([O-])CC1CCCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007727806	0	38	-1.0	-50.36	314.89	5.20	-45.16
O=C([O-])CC1CCCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007727807	0	39	-1.0	-53.51	326.61	3.40	-50.11
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727808	0	42	-1.0	-49.87	370.04	5.81	-44.06
O=C([O-])CC1CCCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007727809	0	32	-1.0	-47.44	284.28	5.07	-42.37
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007727810	0	39	-1.0	-50.13	321.92	6.87	-43.26
COC1=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=CS1	REAL300007727811	0	33	-1.0	-53.10	293.58	3.54	-49.56
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007727812	0	42	-1.0	-49.70	334.99	5.43	-44.27
CCC(C)N1N=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727813	0	41	-1.0	-49.59	332.53	4.86	-44.73
CN(C1CCCCCC1)S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727814	0	46	-1.0	-49.35	343.08	6.01	-43.34
CN1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C2CCOCC2)=N1	REAL300007727815	0	46	-1.0	-51.88	366.19	4.01	-47.87
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727816	0	38	-1.0	-48.73	325.82	6.28	-42.45
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007727817	0	36	-1.0	-50.72	311.87	4.33	-46.39
O=C([O-])CC1CCCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007727818	0	47	-1.0	-51.07	369.83	7.65	-43.42
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])S1	REAL300007727819	0	33	-1.0	-50.39	297.68	3.46	-46.93
CC1=CC(C)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=NC=CC=C12	REAL300007727820	0	43	-1.0	-63.97	340.48	7.14	-56.83
O=C([O-])CC1CCCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007727821	0	40	-1.0	-51.37	329.34	5.11	-46.26
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300007727822	0	35	-1.0	-47.53	305.68	3.46	-44.07
CCOCC1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727823	0	42	-1.0	-50.96	349.54	5.45	-45.51
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727824	0	42	-1.0	-51.91	352.17	6.23	-45.68
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007727825	0	45	-1.0	-48.47	359.39	5.71	-42.76
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007727826	0	43	-1.0	-51.30	362.89	7.85	-43.45
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300007727827	0	35	-1.0	-51.15	283.20	5.52	-45.63
CC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC(C)=C1Br	REAL300007727828	0	38	-1.0	-48.62	330.32	6.50	-42.12
CC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=CC=CC=C12	REAL300007727829	0	41	-1.0	-54.43	326.51	7.66	-46.77
CN1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007727830	0	42	-1.0	-58.46	355.38	6.16	-52.30
O=C([O-])CC1CCCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007727831	0	36	-1.0	-51.76	312.54	6.26	-45.50
O=C([O-])CC1CCCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007727832	0	36	-1.0	-49.95	326.98	6.83	-43.12
O=C([O-])CC1CCCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007727833	0	36	-1.0	-51.22	327.42	6.82	-44.40
O=C([O-])CC1CCCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007727834	0	37	-1.0	-57.77	316.75	-1.01	-58.78
O=C([O-])CC1CCCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007727835	0	35	-1.0	-57.03	299.84	5.36	-51.67
O=C([O-])CC1CCCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300007727836	0	38	-1.0	-55.98	307.95	5.59	-50.39
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007727837	0	34	-1.0	-50.08	303.49	4.15	-45.93
O=C([O-])CC1CCCN1S(=O)(=O)CCOC1CCOC1	REAL300007727838	0	40	-1.0	-50.93	328.36	2.22	-48.71
CC1=NC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007727839	0	41	-1.0	-57.88	343.22	4.06	-53.82
O=C([O-])CC1CCCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007727840	0	49	-1.0	-53.75	350.65	7.91	-45.84
CC1(C)COC(CS(=O)(=O)N2CCCC2CC(=O)[O-])C1	REAL300007727841	0	42	-1.0	-51.95	335.16	4.34	-47.61
O=C([O-])CC1CCCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007727842	0	35	-1.0	-60.65	304.96	0.73	-59.92
CC(C)(CS(=O)(=O)N1CCCC1CC(=O)[O-])C(C)(F)F	REAL300007727843	0	40	-1.0	-50.91	312.55	5.51	-45.40
CS(=O)(=O)CCCCS(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727844	0	40	-1.0	-61.72	344.04	1.85	-59.87
CC1(C)CCC(CS(=O)(=O)N2CCCC2CC(=O)[O-])OC1	REAL300007727845	0	45	-1.0	-54.20	349.74	4.99	-49.21
O=C([O-])CC1CCCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007727846	0	42	-1.0	-51.03	344.11	7.34	-43.69
O=C([O-])CC1CCCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007727847	0	36	-1.0	-60.47	321.54	4.08	-56.39
O=C([O-])CC1CCCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007727848	0	42	-1.0	-50.74	357.12	7.72	-43.02
O=C([O-])CC1CCCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007727849	0	41	-1.0	-60.22	326.33	2.95	-57.27
O=C([O-])CC1CCCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007727850	0	45	-1.0	-52.96	341.20	7.05	-45.91
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007727851	0	36	-1.0	-50.64	317.70	6.33	-44.31
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CCCC3CC(=O)[O-])=CC=C21	REAL300007727852	0	54	-1.0	-52.71	402.58	8.93	-43.78
COC1=CC=C(C=C(C)S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727853	0	43	-1.0	-52.56	350.59	6.08	-46.48
COC1=CSC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1OC	REAL300007727854	0	37	-1.0	-49.23	323.83	3.49	-45.74
O=C([O-])CC1CCCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007727855	0	44	-1.0	-51.08	334.35	5.46	-45.62
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727856	0	43	-1.0	-55.28	350.63	6.79	-48.49
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007727857	0	36	-1.0	-51.52	318.75	5.87	-45.65
COC1=CC(F)=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(F)=C1	REAL300007727858	0	36	-1.0	-54.24	311.90	4.59	-49.65
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007727859	0	36	-1.0	-48.97	318.07	4.41	-44.56
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727860	0	38	-1.0	-50.10	315.62	4.85	-45.25
CN1C=CC2=CC(S(=O)(=O)N3CCCC3CC(=O)[O-])=CC=C21	REAL300007727861	0	39	-1.0	-54.16	326.32	6.52	-47.64
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007727862	0	41	-1.0	-49.38	351.46	5.25	-44.13
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727863	0	45	-1.0	-51.09	366.21	7.41	-43.68
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007727864	0	43	-1.0	-49.74	361.35	7.53	-42.21
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727865	0	38	-1.0	-59.85	314.17	6.62	-53.23
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007727866	0	33	-1.0	-50.77	311.65	3.96	-46.81
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727867	0	43	-1.0	-49.93	355.96	6.36	-43.57
CCN1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C2CC2)=N1	REAL300007727868	0	42	-1.0	-52.32	346.38	5.66	-46.66
CC1=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=NSN=C2C=C1	REAL300007727869	0	36	-1.0	-62.12	303.48	4.11	-58.01
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007727870	0	38	-1.0	-51.84	336.84	7.79	-44.05
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007727871	0	42	-1.0	-51.40	365.14	8.95	-42.45
O=C([O-])CC1CCCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007727872	0	31	-1.0	-47.67	301.23	2.99	-44.68
CCC1=CC(S(=O)(=O)N2CCCC2CC(=O)[O-])=CC=C1Br	REAL300007727873	0	38	-1.0	-48.54	331.64	6.63	-41.91
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727874	0	45	-1.0	-52.59	360.73	6.13	-46.46
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007727875	0	29	-1.0	-47.01	282.83	4.33	-42.68
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727876	0	46	-1.0	-56.02	374.53	5.39	-50.63
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007727877	0	38	-1.0	-51.25	325.72	7.63	-43.62
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727878	0	40	-1.0	-49.14	323.78	2.64	-46.50
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007727879	0	39	-1.0	-53.35	306.07	6.76	-46.59
CC1(C)CCN(S(=O)(=O)N2CCCC2CC(=O)[O-])CC1	REAL300007727880	0	43	-1.0	-54.45	312.64	5.38	-49.07
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007727881	0	47	-1.0	-53.02	376.77	5.44	-47.58
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727882	0	35	-1.0	-49.98	312.97	2.76	-47.22
COC1=NC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1C	REAL300007727883	0	38	-1.0	-51.34	321.53	2.42	-48.92
CC(C)CN1C=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=N1	REAL300007727884	0	41	-1.0	-47.95	340.40	4.86	-43.09
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727885	0	41	-1.0	-51.54	333.17	4.65	-46.89
O=C([O-])CC1CCCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007727886	0	42	-1.0	-52.03	338.14	2.86	-49.17
COCC1=CC(CS(=O)(=O)N2CCCC2CC(=O)[O-])=NO1	REAL300007727887	0	38	-1.0	-59.49	327.90	2.93	-56.56
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007727888	0	37	-1.0	-51.33	319.41	6.97	-44.36
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])N=C1	REAL300007727889	0	43	-1.0	-51.19	346.29	5.41	-45.78
CC(C)N1N=CC=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727890	0	38	-1.0	-49.72	314.13	4.18	-45.54
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007727891	0	39	-1.0	-52.46	326.85	4.99	-47.47
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007727892	0	39	-1.0	-54.85	329.98	6.18	-48.67
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007727893	0	34	-1.0	-57.14	302.09	3.95	-53.19
O=C([O-])CC1CCCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007727894	0	37	-1.0	-54.80	309.30	5.40	-49.40
CC1=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=NN1C(C)C	REAL300007727895	0	41	-1.0	-56.42	332.60	4.73	-51.69
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C=C1	REAL300007727896	0	46	-1.0	-51.38	382.90	8.57	-42.81
O=C([O-])CC1CCCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007727897	0	37	-1.0	-58.97	311.52	5.46	-53.51
O=C([O-])CC1CCCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300007727898	0	35	-1.0	-50.14	305.31	4.72	-45.42
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727899	0	40	-1.0	-59.69	331.95	0.85	-58.84
O=C([O-])CC1CCCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007727900	0	39	-1.0	-50.34	296.46	2.71	-47.63
N#CC1CCN(S(=O)(=O)N2CCCC2CC(=O)[O-])CC1	REAL300007727901	0	38	-1.0	-54.85	312.12	4.48	-50.37
COC1=CC=NC(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727902	0	35	-1.0	-56.32	299.49	2.44	-53.88
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C(C(F)F)=C1	REAL300007727903	0	39	-1.0	-53.28	325.80	5.47	-47.81
COC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])N=C1	REAL300007727904	0	35	-1.0	-51.69	299.31	2.39	-49.30
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727905	0	38	-1.0	-50.17	335.34	3.27	-46.90
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007727906	0	37	-1.0	-52.16	303.74	5.23	-46.93
CCOC1=CC=CN=C1S(=O)(=O)N1CCCC1CC(=O)[O-]	REAL300007727907	0	38	-1.0	-58.46	318.79	4.28	-54.18
CC1=CC=C(S(=O)(=O)N2CCCC2CC(=O)[O-])C2=NC=CC=C12	REAL300007727908	0	40	-1.0	-58.47	327.43	6.48	-51.99
O=C([O-])CC1CCCN1S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007727909	0	36	-1.0	-53.11	304.13	4.88	-48.23
O=C([O-])CC1CCCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007727910	0	34	-1.0	-59.24	304.10	4.04	-55.20
O=C([O-])CC1CCCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007727911	0	39	-1.0	-50.76	342.15	5.85	-44.91
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCCC2CC(=O)[O-])=C1	REAL300007727912	0	45	-1.0	-54.44	359.11	7.11	-47.33
CCC(C)C1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1	REAL300007727913	0	37	-1.0	-43.27	309.55	4.59	-38.68
CC1=CC=C(Br)C=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727914	0	28	-1.0	-43.65	270.37	3.58	-40.07
O=C([O-])C(CF)NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007727915	0	29	-1.0	-44.04	282.56	2.75	-41.29
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1	REAL300007727916	0	31	-1.0	-50.30	291.57	-0.47	-50.77
O=C([O-])C(CF)NS(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007727917	0	29	-1.0	-39.70	281.61	2.23	-37.47
COC1=CC(C)=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1OC	REAL300007727918	0	36	-1.0	-45.81	307.50	2.16	-43.65
O=C([O-])C(CF)NS(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007727919	0	41	-1.0	-42.80	332.52	5.83	-36.97
O=C([O-])C(CF)NS(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007727920	0	31	-1.0	-44.69	275.06	1.18	-43.51
O=C([O-])C(CF)NS(=O)(=O)C1=CC=CC=C1Br	REAL300007727921	0	25	-1.0	-42.42	253.83	3.22	-39.20
O=C([O-])C(CF)NS(=O)(=O)C1=CC=CC(Br)=C1	REAL300007727922	0	25	-1.0	-40.47	256.92	3.06	-37.41
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727923	0	30	-1.0	-50.64	269.32	4.79	-45.85
O=C([O-])C(CF)NS(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007727924	0	31	-1.0	-41.21	297.20	4.46	-36.75
CN(C)S(=O)(=O)CCCS(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727925	0	35	-1.0	-47.41	318.55	-0.99	-48.40
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1	REAL300007727926	0	36	-1.0	-43.68	313.10	3.85	-39.83
O=C([O-])C(CF)NS(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007727927	0	31	-1.0	-43.78	275.92	2.51	-41.27
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1	REAL300007727928	0	34	-1.0	-55.71	315.97	0.20	-55.51
COC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C(C)=C1C	REAL300007727929	0	35	-1.0	-44.47	294.84	2.90	-41.57
O=C([O-])C(CF)NS(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007727930	0	30	-1.0	-48.53	289.07	2.91	-45.62
O=C([O-])C(CF)NS(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007727931	0	28	-1.0	-40.14	280.27	3.78	-36.36
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1	REAL300007727932	0	42	-1.0	-48.90	369.04	1.19	-47.71
CS(=O)(=O)N1CCN(S(=O)(=O)NC(CF)C(=O)[O-])CC1	REAL300007727933	0	35	-1.0	-51.43	306.69	-1.99	-53.42
CC1=C(S(=O)(=O)NC(CF)C(=O)[O-])C=NN1C1=CC=CC=N1	REAL300007727934	0	34	-1.0	-46.77	312.41	3.66	-43.11
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727935	0	37	-1.0	-45.30	295.72	5.13	-40.17
O=C([O-])C(CF)NS(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007727936	0	38	-1.0	-48.61	346.19	5.37	-43.24
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NC(CF)C(=O)[O-])=C1	REAL300007727937	0	33	-1.0	-51.18	301.89	1.84	-49.34
O=C([O-])C(CF)NS(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007727938	0	31	-1.0	-41.63	297.19	3.14	-38.49
COC1=CC(Cl)=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1OC	REAL300007727939	0	33	-1.0	-42.45	309.46	2.26	-40.19
COC1=CC(S(=O)(=O)NC(CF)C(=O)[O-])=C(OC)C=C1Br	REAL300007727940	0	33	-1.0	-42.57	315.95	2.24	-40.33
CC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1Br	REAL300007727941	0	28	-1.0	-43.12	270.30	3.18	-39.94
O=C([O-])C(CF)NS(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007727942	0	31	-1.0	-41.75	292.85	5.25	-36.50
O=C([O-])C(CF)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007727943	0	30	-1.0	-40.47	285.00	4.25	-36.22
COCCOC1=C(Cl)C=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1Cl	REAL300007727944	0	36	-1.0	-39.08	356.43	3.16	-35.92
O=C([O-])C(CF)NS(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007727945	0	29	-1.0	-43.32	276.28	1.65	-41.67
O=C([O-])C(CF)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007727946	0	32	-1.0	-45.24	303.20	3.62	-41.62
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727947	0	40	-1.0	-44.87	323.25	2.84	-42.03
COCC1=CC=C(OC)C(S(=O)(=O)NC(CF)C(=O)[O-])=C1	REAL300007727948	0	36	-1.0	-47.33	321.17	1.86	-45.47
CC1=C(Br)C=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007727951	0	30	-1.0	-38.78	300.24	4.25	-34.53
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727952	0	36	-1.0	-48.21	327.94	2.59	-45.62
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1C	REAL300007727953	0	36	-1.0	-47.38	322.43	-1.01	-48.39
O=C([O-])C(CF)NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007727954	0	43	-1.0	-39.89	328.21	3.99	-35.90
CC1=NC2=C(S(=O)(=O)NC(CF)C(=O)[O-])C=CC=C2C=C1	REAL300007727955	0	33	-1.0	-53.14	299.40	3.71	-49.43
O=C([O-])C(CF)NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007727956	0	33	-1.0	-49.64	301.51	4.29	-45.35
O=C([O-])C(CF)NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300007727957	0	43	-1.0	-45.69	379.64	5.10	-40.59
O=C([O-])C(CF)NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007727958	0	36	-1.0	-42.61	313.44	1.00	-41.61
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727959	0	39	-1.0	-45.94	359.86	3.45	-42.49
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727960	0	39	-1.0	-45.54	355.56	3.66	-41.88
COCCOCCOCCS(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727961	0	39	-1.0	-44.89	343.71	-0.24	-45.13
CC(COC1CCCC1)CS(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727962	0	41	-1.0	-39.99	335.90	3.81	-36.18
O=C([O-])C(CF)NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007727963	0	40	-1.0	-44.89	360.82	3.75	-41.14
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(CF)C(=O)[O-])=C1	REAL300007727964	0	32	-1.0	-40.37	303.68	2.74	-37.63
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C(OC)=C1	REAL300007727965	0	43	-1.0	-48.47	382.16	0.72	-47.75
O=C([O-])C(CF)NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007727966	0	33	-1.0	-41.99	294.22	0.20	-41.79
COC1=CC(Br)=CC(S(=O)(=O)NC(CF)C(=O)[O-])=C1	REAL300007727967	0	29	-1.0	-40.83	286.41	2.35	-38.48
O=C([O-])C(CF)NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007727968	0	29	-1.0	-41.47	282.01	2.62	-38.85
COC1=CC(S(=O)(=O)NC(CF)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007727969	0	31	-1.0	-41.43	286.09	2.76	-38.67
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727970	0	31	-1.0	-41.65	291.51	4.00	-37.65
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727971	0	31	-1.0	-44.00	288.14	3.97	-40.03
CC1=CC(S(=O)(=O)NC(CF)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007727972	0	31	-1.0	-40.50	285.23	3.51	-36.99
O=C([O-])C(CF)NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007727973	0	32	-1.0	-47.63	295.00	2.56	-45.07
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(CF)C(=O)[O-])=C1C	REAL300007727974	0	52	-1.0	-44.29	417.74	6.40	-37.89
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1F	REAL300007727975	0	39	-1.0	-44.41	336.81	-0.20	-44.61
O=C([O-])C(CF)NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007727976	0	33	-1.0	-51.65	314.67	4.47	-47.18
O=C([O-])C(CF)NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007727977	0	28	-1.0	-41.29	280.27	3.77	-37.52
O=C([O-])C(CF)NS(=O)(=O)CC1=CC=CC=C1Br	REAL300007727978	0	28	-1.0	-42.56	282.18	3.63	-38.93
O=C([O-])C(CF)NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007727979	0	32	-1.0	-56.25	295.28	-0.11	-56.36
CC1=CC(Br)=CC(S(=O)(=O)NC(CF)C(=O)[O-])=C1	REAL300007727980	0	28	-1.0	-40.36	278.30	3.71	-36.65
CC1=C(Br)C=CC=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727981	0	28	-1.0	-42.41	267.14	3.46	-38.95
COC1=CC(S(=O)(=O)NC(CF)C(=O)[O-])=CC=C1Br	REAL300007727982	0	29	-1.0	-41.04	280.49	1.98	-39.06
COC1=CC(OC)=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1Cl	REAL300007727983	0	33	-1.0	-43.46	311.49	2.10	-41.36
O=C([O-])C(CF)NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007727984	0	28	-1.0	-46.36	280.29	1.52	-44.84
O=C([O-])C(CF)NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007727985	0	28	-1.0	-42.57	275.36	1.31	-41.26
CC1(C)CC2=CC(S(=O)(=O)NC(CF)C(=O)[O-])=CC=C2O1	REAL300007727986	0	36	-1.0	-42.28	313.09	3.70	-38.58
O=C([O-])C(CF)NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007727987	0	28	-1.0	-46.74	278.10	1.52	-45.22
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727988	0	36	-1.0	-53.01	308.81	0.46	-52.55
CC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1I	REAL300007727989	0	28	-1.0	-43.01	276.15	3.63	-39.38
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1	REAL300007727990	0	37	-1.0	-48.58	334.38	1.24	-47.34
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CF)C(=O)[O-])=C1	REAL300007727991	0	42	-1.0	-48.19	372.37	2.16	-46.03
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1	REAL300007727992	0	42	-1.0	-52.49	373.54	0.52	-51.97
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1F	REAL300007727993	0	33	-1.0	-45.41	309.52	-1.21	-46.62
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])S1	REAL300007727994	0	39	-1.0	-48.27	371.49	0.09	-48.18
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C(OC)=C1	REAL300007727995	0	40	-1.0	-49.16	360.87	-0.09	-49.25
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C(F)=C1	REAL300007727996	0	39	-1.0	-50.96	359.16	0.96	-50.00
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1	REAL300007727997	0	39	-1.0	-46.29	350.01	-0.20	-46.49
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CF)C(=O)[O-]	REAL300007727998	0	36	-1.0	-56.91	313.16	2.04	-54.87
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CF)C(=O)[O-])C=C1F	REAL300007727999	0	39	-1.0	-44.22	352.48	0.46	-43.76
O=C([O-])C(CF)NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007728000	0	40	-1.0	-48.37	340.65	3.08	-45.29
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748034	0	36	-1.0	-49.02	304.49	4.87	-44.15
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748035	0	43	-1.0	-51.26	356.45	5.21	-46.05
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C	REAL300007748036	0	43	-1.0	-54.27	364.99	1.61	-52.66
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007748037	0	50	-1.0	-44.33	361.70	6.62	-37.71
CC1=NC2=C(S(=O)(=O)N3CCC(C(=O)[O-])C3C)C=CC=C2C=C1	REAL300007748038	0	40	-1.0	-54.55	331.37	6.53	-48.02
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007748039	0	40	-1.0	-51.58	339.90	6.90	-44.68
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007748040	0	43	-1.0	-48.78	347.42	3.14	-45.64
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748041	0	46	-1.0	-49.87	391.04	6.08	-43.79
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748042	0	46	-1.0	-50.42	385.62	6.27	-44.15
CCCN1C=NC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748043	0	38	-1.0	-52.94	322.14	5.70	-47.24
COCCOCCOCCS(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748044	0	46	-1.0	-54.64	384.37	2.03	-52.61
CC(COC1CCCC1)CS(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748045	0	48	-1.0	-45.95	375.88	6.35	-39.60
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748046	0	39	-1.0	-46.20	337.43	4.85	-41.35
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007748047	0	40	-1.0	-49.44	333.36	2.72	-46.72
COC1=CC(Br)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748048	0	36	-1.0	-45.75	319.66	4.46	-41.29
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007748049	0	36	-1.0	-48.50	314.24	5.13	-43.37
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CC=C1[N+](=O)[O-]	REAL300007748050	0	38	-1.0	-49.42	328.64	5.41	-44.01
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748051	0	38	-1.0	-46.38	317.28	6.48	-39.90
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748052	0	38	-1.0	-49.19	314.90	6.40	-42.79
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CC=C1C(F)(F)F	REAL300007748053	0	38	-1.0	-47.67	327.54	6.15	-41.52
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748054	0	41	-1.0	-49.03	315.40	6.51	-42.52
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCCN1CCOCC1	REAL300007748055	0	44	-1.0	-52.54	343.61	1.91	-50.63
CCOC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748056	0	39	-1.0	-46.85	320.31	4.79	-42.06
COCCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=N1	REAL300007748057	0	39	-1.0	-46.97	329.93	2.21	-44.76
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007748058	0	39	-1.0	-53.56	337.41	5.15	-48.41
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1C	REAL300007748059	0	59	-1.0	-46.29	461.98	9.56	-36.73
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007748060	0	40	-1.0	-55.29	343.37	7.12	-48.17
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007748061	0	37	-1.0	-51.12	311.05	5.29	-45.83
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007748062	0	35	-1.0	-47.71	320.11	6.32	-41.39
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC=C1Br	REAL300007748063	0	35	-1.0	-45.76	310.01	5.89	-39.87
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007748064	0	39	-1.0	-58.34	333.57	2.45	-55.89
CC1=CC(Br)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748065	0	35	-1.0	-44.34	311.58	5.83	-38.51
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748066	0	35	-1.0	-45.94	300.75	5.93	-40.01
COCC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748067	0	39	-1.0	-49.01	318.74	5.14	-43.87
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CC=C1Br	REAL300007748068	0	36	-1.0	-48.16	323.03	4.62	-43.54
COC1=CC(OC)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1Cl	REAL300007748069	0	40	-1.0	-49.82	343.56	4.68	-45.14
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007748070	0	35	-1.0	-48.02	314.14	3.66	-44.36
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007748071	0	35	-1.0	-48.29	308.11	3.49	-44.80
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007748072	0	43	-1.0	-48.77	352.74	6.22	-42.55
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007748073	0	35	-1.0	-49.47	309.56	4.00	-45.47
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748074	0	43	-1.0	-57.07	347.42	3.34	-53.73
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748075	0	44	-1.0	-55.18	376.73	3.83	-51.35
CSC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748076	0	36	-1.0	-51.29	298.76	5.63	-45.66
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007748077	0	40	-1.0	-54.45	352.07	1.43	-53.02
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748078	0	46	-1.0	-53.35	392.17	2.40	-50.95
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007748079	0	43	-1.0	-58.49	347.63	4.82	-53.67
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1F	REAL300007748080	0	43	-1.0	-53.34	373.53	2.32	-51.02
CCC1=CC=C(CS(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748081	0	41	-1.0	-47.39	341.75	7.15	-40.24
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=CS1	REAL300007748082	0	35	-1.0	-47.02	310.59	5.58	-41.44
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007748083	0	47	-1.0	-53.78	386.86	5.09	-48.69
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007748084	0	44	-1.0	-57.24	359.12	4.44	-52.80
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748085	0	41	-1.0	-50.73	351.13	2.99	-47.74
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748086	0	42	-1.0	-59.94	358.80	2.32	-57.62
CC1=CC=C(CS(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C	REAL300007748087	0	41	-1.0	-52.60	332.06	6.88	-45.72
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1Br	REAL300007748088	0	39	-1.0	-48.85	344.88	5.54	-43.31
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C1=CC=CC=C1	REAL300007748089	0	46	-1.0	-50.93	381.22	7.71	-43.22
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007748090	0	36	-1.0	-48.19	324.58	5.59	-42.60
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748091	0	39	-1.0	-49.18	345.00	5.57	-43.61
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CCOC(C)(C)C1	REAL300007748092	0	41	-1.0	-46.96	316.00	3.13	-43.83
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007748093	0	46	-1.0	-47.82	381.89	6.51	-41.31
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748094	0	39	-1.0	-48.91	337.58	5.98	-42.93
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3C)=CC=C21	REAL300007748095	0	44	-1.0	-48.94	359.55	6.11	-42.83
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748096	0	39	-1.0	-59.11	339.75	-0.54	-59.65
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)OC2=CC=C(F)C=C12	REAL300007748097	0	38	-1.0	-47.91	329.65	6.14	-41.77
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007748098	0	35	-1.0	-46.74	325.51	6.87	-39.87
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=CC(Cl)=CC=C2S1	REAL300007748099	0	38	-1.0	-50.41	335.81	7.74	-42.67
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007748100	0	35	-1.0	-49.49	323.20	6.64	-42.85
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007748101	0	38	-1.0	-52.92	326.53	7.48	-45.44
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007748102	0	38	-1.0	-52.02	334.16	6.38	-45.64
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007748103	0	43	-1.0	-53.26	351.04	6.31	-46.95
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007748104	0	46	-1.0	-49.89	381.20	8.28	-41.61
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007748105	0	45	-1.0	-55.67	379.58	6.14	-49.53
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007748106	0	43	-1.0	-51.73	375.06	2.05	-49.68
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=CC=CC(C)=C2S1	REAL300007748107	0	41	-1.0	-49.63	344.27	7.90	-41.73
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1N(C)C	REAL300007748108	0	43	-1.0	-50.33	348.01	5.32	-45.01
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007748109	0	38	-1.0	-48.80	336.47	6.93	-41.87
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007748110	0	37	-1.0	-52.80	306.86	1.86	-50.94
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCOCC1CCCC1	REAL300007748111	0	45	-1.0	-46.51	359.80	5.46	-41.05
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1Cl	REAL300007748112	0	39	-1.0	-49.85	325.16	5.25	-44.60
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007748113	0	41	-1.0	-57.49	359.52	3.23	-54.26
CSC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1Cl	REAL300007748114	0	36	-1.0	-48.66	328.32	6.11	-42.55
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748115	0	44	-1.0	-50.70	351.00	5.39	-45.31
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007748116	0	40	-1.0	-47.13	340.09	3.13	-44.00
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3C)C=C12	REAL300007748117	0	39	-1.0	-50.41	330.17	2.25	-48.16
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007748118	0	43	-1.0	-49.84	365.49	4.36	-45.48
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007748119	0	37	-1.0	-51.23	319.67	4.10	-47.13
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007748120	0	38	-1.0	-48.18	337.38	7.81	-40.37
CCC1=CC(CC)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(CC)=C1	REAL300007748121	0	50	-1.0	-44.74	360.14	8.77	-35.97
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007748122	0	39	-1.0	-53.26	315.81	4.96	-48.30
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007748123	0	38	-1.0	-45.81	337.53	2.62	-43.19
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007748124	0	41	-1.0	-57.49	335.00	8.68	-48.81
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(C)=C1F	REAL300007748125	0	39	-1.0	-47.21	316.45	4.79	-42.42
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1(C)CCCCC1	REAL300007748126	0	44	-1.0	-50.36	319.92	6.46	-43.90
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007748127	0	41	-1.0	-51.47	338.00	6.14	-45.33
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007748129	0	40	-1.0	-49.56	344.76	6.26	-43.30
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748130	0	39	-1.0	-44.94	340.67	4.78	-40.16
CC1=CC=C(CS(=O)(=O)N2CCC(C(=O)[O-])C2C)C(F)=C1	REAL300007748131	0	38	-1.0	-46.71	320.02	6.04	-40.67
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007748133	0	32	-1.0	-42.71	307.22	5.14	-37.57
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007748134	0	45	-1.0	-47.91	363.85	8.29	-39.62
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007748135	0	43	-1.0	-56.78	357.69	5.45	-51.33
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007748136	0	41	-1.0	-64.78	331.43	2.12	-62.66
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007748137	0	35	-1.0	-46.29	311.11	5.40	-40.89
CC1=C(CCS(=O)(=O)N2CCC(C(=O)[O-])C2C)SC=N1	REAL300007748138	0	37	-1.0	-47.92	324.34	4.23	-43.69
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC12CCC(CC1)C2	REAL300007748139	0	42	-1.0	-53.45	324.35	6.11	-47.34
COC1=CC=C2C=C(S(=O)(=O)N3CCC(C(=O)[O-])C3C)CCC2=C1	REAL300007748140	0	44	-1.0	-48.24	359.30	6.68	-41.56
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC12CCC(CC1)CC2	REAL300007748141	0	45	-1.0	-50.39	326.89	6.97	-43.42
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007748142	0	43	-1.0	-63.74	349.14	1.83	-61.91
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1CCCCC1(F)F	REAL300007748143	0	41	-1.0	-49.33	322.61	6.11	-43.22
CC1C(C(=O)[O-])CCN1S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007748144	0	39	-1.0	-46.38	325.69	7.11	-39.27
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1[N+](=O)[O-]	REAL300007748145	0	40	-1.0	-54.65	335.53	6.49	-48.16
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007748146	0	32	-1.0	-48.03	289.78	5.13	-42.90
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007748147	0	32	-1.0	-47.92	294.35	5.23	-42.69
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007748148	0	34	-1.0	-48.38	301.40	5.27	-43.11
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007748149	0	38	-1.0	-50.08	316.13	7.21	-42.87
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007748150	0	34	-1.0	-45.82	297.18	5.24	-40.58
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748151	0	37	-1.0	-49.36	310.27	6.12	-43.24
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007748152	0	34	-1.0	-60.82	289.81	6.72	-54.10
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748153	0	39	-1.0	-48.17	340.46	6.32	-41.85
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748154	0	39	-1.0	-49.79	324.51	4.83	-44.96
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1C	REAL300007748155	0	44	-1.0	-49.71	330.49	6.91	-42.80
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(C)=C1	REAL300007748156	0	41	-1.0	-48.06	316.08	7.02	-41.04
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748157	0	47	-1.0	-48.97	352.48	7.72	-41.25
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007748158	0	35	-1.0	-44.52	308.03	5.58	-38.94
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007748159	0	35	-1.0	-53.38	295.86	6.19	-47.19
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007748160	0	32	-1.0	-44.46	285.70	5.09	-39.37
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748161	0	37	-1.0	-51.64	315.88	5.11	-46.53
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1[N+](=O)[O-]	REAL300007748162	0	38	-1.0	-56.39	328.62	5.39	-51.00
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007748163	0	44	-1.0	-49.76	349.38	6.92	-42.84
CC(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748164	0	41	-1.0	-49.75	333.29	6.54	-43.21
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007748165	0	43	-1.0	-53.03	368.59	2.61	-50.42
CCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748166	0	41	-1.0	-49.87	337.41	6.83	-43.04
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1Br	REAL300007748167	0	36	-1.0	-49.18	323.03	4.61	-44.57
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CC=C1Br	REAL300007748168	0	35	-1.0	-47.92	312.62	5.84	-42.08
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3C)C=C2)=C1	REAL300007748169	0	46	-1.0	-50.29	383.16	8.12	-42.17
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007748170	0	36	-1.0	-48.43	319.15	4.40	-44.03
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(C)=C1C	REAL300007748171	0	47	-1.0	-48.74	342.10	7.87	-40.87
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007748172	0	41	-1.0	-50.39	335.93	4.60	-45.79
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748173	0	48	-1.0	-51.26	369.41	7.02	-44.24
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1[N+](=O)[O-]	REAL300007748174	0	37	-1.0	-50.12	317.32	5.83	-44.29
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748175	0	36	-1.0	-50.21	314.59	5.31	-44.90
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748176	0	50	-1.0	-48.92	371.71	8.17	-40.75
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007748177	0	35	-1.0	-48.00	311.80	5.61	-42.39
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007748178	0	42	-1.0	-49.21	332.90	7.41	-41.80
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748179	0	40	-1.0	-51.55	327.55	4.10	-47.45
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1OC	REAL300007748180	0	40	-1.0	-50.90	331.85	3.85	-47.05
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007748181	0	39	-1.0	-47.95	320.82	6.87	-41.08
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007748182	0	40	-1.0	-48.04	329.83	7.37	-40.67
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007748183	0	37	-1.0	-47.66	311.23	4.81	-42.85
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748184	0	47	-1.0	-49.87	376.47	8.12	-41.75
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1OCC	REAL300007748185	0	46	-1.0	-50.42	375.54	5.70	-44.72
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007748186	0	37	-1.0	-54.71	327.25	-0.43	-55.14
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CC([N+](=O)[O-])=C1C	REAL300007748187	0	40	-1.0	-50.73	333.41	6.41	-44.32
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1C	REAL300007748188	0	40	-1.0	-51.85	325.12	6.62	-45.23
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3C)=C2N=C1	REAL300007748189	0	40	-1.0	-53.66	331.20	6.58	-47.08
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C([N+](=O)[O-])=C1	REAL300007748190	0	38	-1.0	-57.43	320.43	6.04	-51.39
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748191	0	36	-1.0	-48.36	312.03	5.27	-43.09
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007748192	0	37	-1.0	-49.97	323.20	-0.48	-50.45
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007748193	0	44	-1.0	-50.45	383.80	2.79	-47.66
CC1C(C(=O)[O-])CCN1S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007748194	0	40	-1.0	-47.92	343.12	6.40	-41.52
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007748195	0	41	-1.0	-48.23	326.95	6.22	-42.01
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=CC=CN=C12	REAL300007748196	0	40	-1.0	-48.87	325.00	5.93	-42.94
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C	REAL300007748197	0	40	-1.0	-51.78	334.23	7.99	-43.79
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007748198	0	43	-1.0	-48.84	364.57	2.57	-46.27
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007748199	0	44	-1.0	-61.48	360.74	4.04	-57.44
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007748200	0	38	-1.0	-51.77	329.67	2.09	-49.68
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007748201	0	42	-1.0	-48.75	329.12	8.22	-40.53
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CC(C)CC(C)C1	REAL300007748202	0	43	-1.0	-44.35	328.24	4.89	-39.46
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007748203	0	38	-1.0	-50.96	309.66	6.95	-44.01
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007748204	0	42	-1.0	-50.99	347.22	8.02	-42.97
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748205	0	35	-1.0	-49.11	282.55	5.46	-43.65
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007748206	0	46	-1.0	-49.37	357.73	6.72	-42.65
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007748207	0	33	-1.0	-51.44	294.03	3.27	-48.17
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748208	0	36	-1.0	-50.34	310.03	5.21	-45.13
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748209	0	47	-1.0	-49.70	363.60	7.39	-42.31
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1Cl	REAL300007748210	0	35	-1.0	-48.56	308.65	5.73	-42.83
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748211	0	42	-1.0	-50.16	342.44	5.46	-44.70
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007748212	0	35	-1.0	-47.77	315.55	6.22	-41.55
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007748213	0	33	-1.0	-50.85	285.70	3.67	-47.18
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007748214	0	37	-1.0	-53.15	327.20	7.59	-45.56
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007748215	0	37	-1.0	-55.19	304.92	5.71	-49.48
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007748216	0	43	-1.0	-51.45	378.56	8.00	-43.45
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748217	0	38	-1.0	-47.85	323.52	5.42	-42.43
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1F	REAL300007748218	0	36	-1.0	-49.60	308.83	4.01	-45.59
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1F	REAL300007748219	0	35	-1.0	-48.69	299.90	5.32	-43.37
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007748220	0	43	-1.0	-49.39	380.20	8.04	-41.35
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3C)C=C2)C=C1	REAL300007748221	0	47	-1.0	-50.74	392.95	6.82	-43.92
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(C(C)C)=C1	REAL300007748222	0	59	-1.0	-46.99	432.34	10.83	-36.16
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=CC=CC=C12	REAL300007748223	0	48	-1.0	-49.49	377.82	7.87	-41.62
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007748224	0	35	-1.0	-51.60	325.56	6.64	-44.96
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=CC=CC=C12	REAL300007748225	0	42	-1.0	-50.08	338.11	6.31	-43.77
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748226	0	37	-1.0	-46.80	306.42	6.13	-40.67
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748227	0	37	-1.0	-51.95	305.54	5.92	-46.03
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748228	0	40	-1.0	-50.28	329.40	7.29	-42.99
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748229	0	44	-1.0	-49.96	354.26	7.29	-42.67
COCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748230	0	42	-1.0	-50.43	349.58	5.12	-45.31
COCCN(CCOC)S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748231	0	44	-1.0	-44.84	351.66	2.25	-42.59
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748232	0	35	-1.0	-48.47	292.88	5.92	-42.55
COC1=C(C)C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C	REAL300007748233	0	42	-1.0	-47.50	348.24	5.82	-41.68
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748234	0	48	-1.0	-49.34	385.07	6.94	-42.40
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007748235	0	46	-1.0	-49.28	367.69	6.83	-42.45
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748236	0	45	-1.0	-49.36	366.11	6.33	-43.03
CCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748237	0	42	-1.0	-49.39	345.89	5.63	-43.76
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1Cl	REAL300007748238	0	36	-1.0	-49.19	318.64	4.50	-44.69
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007748239	0	36	-1.0	-49.87	328.39	4.77	-45.10
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C	REAL300007748240	0	39	-1.0	-50.04	322.68	4.69	-45.35
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CC=C1OC(C)C	REAL300007748241	0	45	-1.0	-49.61	362.47	6.24	-43.37
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(C)=C1	REAL300007748242	0	39	-1.0	-48.55	307.65	4.76	-43.79
COCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748243	0	43	-1.0	-51.70	358.02	4.11	-47.59
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC=C1F	REAL300007748244	0	35	-1.0	-47.00	298.61	5.36	-41.64
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748245	0	35	-1.0	-46.41	299.51	6.07	-40.34
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1C	REAL300007748246	0	40	-1.0	-53.00	314.70	6.85	-46.15
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748247	0	41	-1.0	-57.63	342.74	2.98	-54.65
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007748248	0	44	-1.0	-53.22	382.12	2.45	-50.77
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748249	0	40	-1.0	-54.03	349.63	0.78	-53.25
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748250	0	40	-1.0	-57.46	326.79	2.55	-54.91
CC1=NC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)S1	REAL300007748251	0	34	-1.0	-45.82	302.46	3.41	-42.41
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007748252	0	35	-1.0	-47.94	306.40	6.13	-41.81
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CC=C1F	REAL300007748253	0	36	-1.0	-48.65	308.83	4.02	-44.63
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007748254	0	42	-1.0	-47.62	343.14	7.98	-39.64
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007748255	0	35	-1.0	-52.90	333.10	6.44	-46.46
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3C)S2)=CS1	REAL300007748256	0	38	-1.0	-49.05	347.26	5.42	-43.63
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007748257	0	52	-1.0	-49.27	407.74	8.23	-41.04
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748258	0	40	-1.0	-54.84	328.36	6.42	-48.42
CNC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CN1C	REAL300007748259	0	40	-1.0	-53.28	338.63	2.32	-50.96
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(C)=C1	REAL300007748260	0	42	-1.0	-49.16	324.99	5.15	-44.01
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007748261	0	43	-1.0	-48.65	353.10	8.67	-39.98
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C	REAL300007748262	0	42	-1.0	-45.16	331.95	5.45	-39.71
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=CC=CN=C2C=C1	REAL300007748263	0	40	-1.0	-48.38	320.43	6.15	-42.23
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007748264	0	37	-1.0	-51.58	297.60	5.06	-46.52
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007748265	0	45	-1.0	-54.03	375.12	8.81	-45.22
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C([N+](=O)[O-])=N1	REAL300007748266	0	37	-1.0	-52.03	321.44	5.58	-46.45
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007748267	0	39	-1.0	-51.14	344.08	5.30	-45.84
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007748268	0	46	-1.0	-50.76	384.31	7.89	-42.87
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748269	0	40	-1.0	-50.79	332.03	5.83	-44.96
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007748270	0	42	-1.0	-51.07	356.11	6.14	-44.93
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007748271	0	35	-1.0	-60.39	295.77	4.08	-56.31
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748272	0	54	-1.0	-45.86	411.92	7.91	-37.95
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007748273	0	40	-1.0	-57.44	346.72	1.32	-56.12
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007748274	0	35	-1.0	-48.41	305.23	5.78	-42.63
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=CC=CC=C12	REAL300007748275	0	45	-1.0	-49.73	360.02	7.25	-42.48
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748276	0	42	-1.0	-49.60	340.57	6.36	-43.24
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007748277	0	37	-1.0	-59.16	321.39	4.83	-54.33
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007748278	0	39	-1.0	-48.79	330.75	5.70	-43.09
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748279	0	46	-1.0	-51.66	379.87	5.07	-46.59
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748280	0	48	-1.0	-49.29	388.89	7.20	-42.09
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007748281	0	42	-1.0	-48.29	332.63	7.71	-40.58
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007748282	0	38	-1.0	-46.23	320.08	6.33	-39.90
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007748283	0	36	-1.0	-48.88	329.54	6.07	-42.81
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007748284	0	37	-1.0	-47.85	311.29	4.26	-43.59
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007748285	0	40	-1.0	-55.75	338.71	6.24	-49.51
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007748286	0	38	-1.0	-60.25	309.24	1.31	-58.94
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007748287	0	37	-1.0	-54.04	321.27	4.79	-49.25
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(C)=C1	REAL300007748288	0	42	-1.0	-48.31	331.04	5.62	-42.69
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748289	0	40	-1.0	-49.35	345.58	0.74	-48.61
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007748290	0	36	-1.0	-50.69	305.07	5.01	-45.68
CSC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748291	0	36	-1.0	-49.52	313.35	5.63	-43.89
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007748292	0	38	-1.0	-48.56	337.88	6.73	-41.83
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748293	0	43	-1.0	-46.17	348.21	6.83	-39.34
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)N=C1C	REAL300007748294	0	38	-1.0	-53.11	315.64	4.72	-48.39
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007748295	0	38	-1.0	-50.07	312.61	4.59	-45.48
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007748296	0	37	-1.0	-50.13	299.35	4.98	-45.15
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007748297	0	44	-1.0	-50.36	368.99	6.95	-43.41
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C(F)(F)F	REAL300007748298	0	38	-1.0	-50.95	327.55	6.16	-44.79
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007748299	0	38	-1.0	-48.62	343.10	5.64	-42.98
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007748300	0	41	-1.0	-49.88	335.02	6.54	-43.34
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3C)C=C12	REAL300007748301	0	40	-1.0	-47.97	335.22	4.27	-43.70
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748302	0	39	-1.0	-49.00	343.72	5.59	-43.41
COCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748303	0	39	-1.0	-47.84	324.03	4.29	-43.55
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007748304	0	43	-1.0	-50.47	350.63	6.23	-44.24
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007748305	0	35	-1.0	-45.95	306.77	5.77	-40.18
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007748306	0	44	-1.0	-64.76	369.75	3.11	-61.65
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007748307	0	39	-1.0	-45.96	344.86	5.51	-40.45
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007748308	0	40	-1.0	-51.18	339.58	5.90	-45.28
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007748309	0	35	-1.0	-47.06	320.34	6.22	-40.84
CC1CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3C)=CC=C2O1	REAL300007748310	0	40	-1.0	-47.04	325.81	5.18	-41.86
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748311	0	44	-1.0	-46.14	323.94	7.50	-38.64
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748312	0	44	-1.0	-55.05	355.33	3.55	-51.50
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007748313	0	43	-1.0	-50.76	378.57	7.96	-42.80
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007748314	0	38	-1.0	-49.52	336.70	5.57	-43.95
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007748315	0	38	-1.0	-48.33	353.42	6.09	-42.24
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3C)C=C2)=CO1	REAL300007748316	0	41	-1.0	-53.22	349.42	3.67	-49.55
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007748317	0	35	-1.0	-56.96	319.04	3.58	-53.38
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007748318	0	35	-1.0	-50.06	304.31	5.08	-44.98
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007748319	0	35	-1.0	-49.00	294.92	3.22	-45.78
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=N1	REAL300007748320	0	35	-1.0	-46.82	296.10	1.23	-45.59
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007748321	0	40	-1.0	-49.65	323.89	5.56	-44.09
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007748322	0	39	-1.0	-50.59	314.83	6.81	-43.78
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC(C(=O)[O-])C3C)C=N2)C=C1	REAL300007748323	0	42	-1.0	-48.53	352.15	6.38	-42.15
CC1CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3C)=CC(Cl)=C2O1	REAL300007748324	0	40	-1.0	-48.38	342.74	5.71	-42.67
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CC=C1[N+](=O)[O-]	REAL300007748325	0	37	-1.0	-48.20	317.36	5.83	-42.37
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=N1	REAL300007748326	0	43	-1.0	-54.44	357.99	5.35	-49.09
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007748327	0	34	-1.0	-47.50	300.94	4.05	-43.45
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300007748328	0	40	-1.0	-51.83	325.66	5.03	-46.80
CC1=CC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3C)C=C2C=C1	REAL300007748329	0	41	-1.0	-49.90	337.47	7.86	-42.04
COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)SC=C1	REAL300007748330	0	33	-1.0	-52.10	290.17	3.92	-48.18
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300007748331	0	40	-1.0	-47.48	320.22	4.96	-42.52
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007748332	0	37	-1.0	-51.73	305.37	4.76	-46.97
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007748333	0	37	-1.0	-56.43	322.92	4.78	-51.65
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007748334	0	37	-1.0	-47.73	304.66	4.40	-43.33
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007748335	0	38	-1.0	-51.27	331.88	6.97	-44.30
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007748336	0	44	-1.0	-51.63	347.34	5.20	-46.43
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007748337	0	34	-1.0	-46.80	304.43	3.85	-42.95
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748338	0	40	-1.0	-52.58	329.09	5.41	-47.17
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748339	0	40	-1.0	-46.75	323.64	6.58	-40.17
CC1=CC=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1[N+](=O)[O-]	REAL300007748340	0	40	-1.0	-62.35	324.43	7.61	-54.74
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1[N+](=O)[O-]	REAL300007748341	0	40	-1.0	-49.35	326.41	6.65	-42.70
COC1=CC=C(CCS(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748342	0	42	-1.0	-52.46	344.65	5.74	-46.72
COC1=CN=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748343	0	35	-1.0	-49.96	297.88	2.08	-47.88
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007748344	0	41	-1.0	-45.66	347.61	6.59	-39.07
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007748345	0	39	-1.0	-45.55	315.80	6.60	-38.95
COC1=CC(OC)=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748346	0	40	-1.0	-50.32	334.30	3.57	-46.75
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCC1CCCCC1	REAL300007748347	0	44	-1.0	-45.73	341.14	6.67	-39.06
CC1=CC=C(CCS(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748348	0	41	-1.0	-51.19	336.56	7.13	-44.06
CC1=CC2=C(C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C)OCO2	REAL300007748349	0	38	-1.0	-49.76	304.18	4.12	-45.64
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007748350	0	35	-1.0	-51.81	297.63	5.25	-46.56
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CC=C1Cl	REAL300007748351	0	36	-1.0	-48.29	318.64	4.51	-43.78
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007748352	0	38	-1.0	-55.81	317.09	5.90	-49.91
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=NC=CC=C2C=C1	REAL300007748353	0	40	-1.0	-58.11	316.63	6.48	-51.63
CC1=NC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3C)C=C2O1	REAL300007748354	0	37	-1.0	-48.84	312.50	2.21	-46.63
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1CC	REAL300007748355	0	44	-1.0	-49.99	350.18	7.21	-42.78
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748356	0	40	-1.0	-45.69	325.36	7.11	-38.58
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748357	0	42	-1.0	-51.57	329.22	6.45	-45.12
CC1=C(C)SC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748358	0	35	-1.0	-47.87	302.08	5.29	-42.58
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007748359	0	33	-1.0	-42.88	291.75	2.82	-40.06
CCC1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)S1	REAL300007748360	0	34	-1.0	-46.69	304.67	3.52	-43.17
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300007748361	0	39	-1.0	-49.80	318.25	4.26	-45.54
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)S1	REAL300007748362	0	35	-1.0	-45.69	303.37	5.53	-40.16
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007748363	0	38	-1.0	-53.87	306.15	6.41	-47.46
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007748364	0	35	-1.0	-50.59	296.02	3.57	-47.02
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CC(C)=C1F	REAL300007748365	0	38	-1.0	-45.20	321.68	6.28	-38.92
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007748366	0	39	-1.0	-53.41	329.09	4.40	-49.01
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007748367	0	45	-1.0	-47.94	371.97	6.20	-41.74
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007748368	0	36	-1.0	-58.81	307.04	4.86	-53.95
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007748369	0	34	-1.0	-52.81	299.98	4.44	-48.37
CC1=NC(CS(=O)(=O)N2CCC(C(=O)[O-])C2C)=CS1	REAL300007748370	0	34	-1.0	-56.93	306.16	3.12	-53.81
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007748371	0	35	-1.0	-46.09	315.59	6.23	-39.86
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CC=C1Cl	REAL300007748372	0	35	-1.0	-48.01	308.59	5.75	-42.26
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007748373	0	38	-1.0	-55.71	316.99	5.54	-50.17
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])C3C)C=C2)=N1	REAL300007748374	0	41	-1.0	-51.36	359.25	6.08	-45.28
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007748375	0	40	-1.0	-51.82	318.84	6.13	-45.69
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007748376	0	39	-1.0	-52.44	334.03	2.43	-50.01
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007748377	0	41	-1.0	-53.41	333.22	5.32	-48.09
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007748378	0	35	-1.0	-45.73	313.15	5.84	-39.89
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748379	0	57	-1.0	-49.22	453.38	9.54	-39.68
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748380	0	45	-1.0	-46.75	359.05	6.23	-40.52
COC(CS(=O)(=O)N1CCC(C(=O)[O-])C1C)C1CCCC1	REAL300007748381	0	45	-1.0	-50.55	343.37	5.29	-45.26
COC(CS(=O)(=O)N1CCC(C(=O)[O-])C1C)C1CCCCC1	REAL300007748382	0	48	-1.0	-50.69	360.77	5.99	-44.70
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007748383	0	46	-1.0	-50.53	390.58	8.00	-42.53
CCOC(CS(=O)(=O)N1CCC(C(=O)[O-])C1C)C1CC1	REAL300007748384	0	42	-1.0	-45.84	336.14	5.18	-40.66
CCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C(C)C	REAL300007748385	0	51	-1.0	-49.09	404.57	7.70	-41.39
CCC1=NC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CN1CC1CC1	REAL300007748386	0	45	-1.0	-52.73	368.73	6.87	-45.86
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007748387	0	35	-1.0	-47.11	314.35	4.45	-42.66
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(C)=C1[N+](=O)[O-]	REAL300007748388	0	40	-1.0	-51.45	331.32	6.95	-44.50
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007748389	0	39	-1.0	-47.24	319.66	4.78	-42.46
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007748390	0	45	-1.0	-47.11	369.81	7.14	-39.97
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007748391	0	35	-1.0	-43.83	315.25	3.61	-40.22
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007748392	0	43	-1.0	-50.32	373.70	8.75	-41.57
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007748393	0	42	-1.0	-52.25	329.41	7.99	-44.26
CCC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C(C)C=C1OC	REAL300007748394	0	45	-1.0	-47.54	353.18	6.22	-41.32
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007748395	0	38	-1.0	-47.86	344.38	6.48	-41.38
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007748396	0	34	-1.0	-55.20	303.01	3.81	-51.39
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=CC=CC=C2C=C1	REAL300007748397	0	41	-1.0	-51.92	324.25	8.13	-43.79
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=N1	REAL300007748398	0	41	-1.0	-45.61	338.13	3.12	-42.49
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748399	0	36	-1.0	-47.46	302.42	5.09	-42.37
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C(C)C	REAL300007748400	0	48	-1.0	-49.46	383.07	6.90	-42.56
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007748401	0	44	-1.0	-48.11	351.41	6.86	-41.25
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007748402	0	51	-1.0	-46.59	396.95	9.18	-37.41
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007748403	0	42	-1.0	-48.08	333.26	4.98	-43.10
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007748404	0	44	-1.0	-52.78	343.72	4.94	-47.84
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007748405	0	42	-1.0	-49.00	337.60	4.92	-44.08
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007748406	0	35	-1.0	-43.95	299.95	3.65	-40.30
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748407	0	39	-1.0	-49.24	333.40	5.14	-44.10
C=CCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748408	0	42	-1.0	-50.20	350.22	7.39	-42.81
CCC1=NN(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748409	0	38	-1.0	-50.27	309.50	3.76	-46.51
CCCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C(C)C	REAL300007748410	0	54	-1.0	-49.74	426.06	8.48	-41.26
CC1C(C(=O)[O-])CCN1S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007748411	0	36	-1.0	-48.60	318.86	6.62	-41.98
CCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C(C)(C)C	REAL300007748412	0	54	-1.0	-49.88	417.12	8.38	-41.50
CCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1CC	REAL300007748413	0	48	-1.0	-49.81	387.66	7.16	-42.65
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748414	0	38	-1.0	-47.03	312.24	6.35	-40.68
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748415	0	38	-1.0	-44.68	330.26	6.53	-38.15
CC1C(C(=O)[O-])CCN1S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007748416	0	36	-1.0	-49.67	316.35	6.54	-43.13
CCCC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748417	0	41	-1.0	-50.11	322.49	7.39	-42.72
COC1=NC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748418	0	35	-1.0	-50.25	293.12	2.14	-48.11
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748419	0	48	-1.0	-47.45	388.18	7.73	-39.72
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007748420	0	37	-1.0	-56.67	304.94	5.14	-51.53
CC1=CSC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748421	0	35	-1.0	-43.97	285.30	4.98	-38.99
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007748422	0	39	-1.0	-46.67	319.98	4.25	-42.42
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007748423	0	39	-1.0	-46.28	315.53	4.89	-41.39
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007748424	0	42	-1.0	-46.61	339.74	5.48	-41.13
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007748425	0	43	-1.0	-51.95	344.91	2.96	-48.99
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007748426	0	38	-1.0	-48.48	341.50	5.85	-42.63
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C2CCCCN12	REAL300007748427	0	39	-1.0	-51.81	316.65	5.08	-46.73
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C(C)C	REAL300007748428	0	57	-1.0	-49.62	447.56	9.26	-40.36
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C	REAL300007748429	0	48	-1.0	-45.02	370.70	6.60	-38.42
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748430	0	42	-1.0	-48.70	344.29	6.42	-42.28
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C(C)C	REAL300007748431	0	55	-1.0	-51.29	438.55	7.12	-44.17
CC1CC2=CC=CC(S(=O)(=O)N3CCC(C(=O)[O-])C3C)=C2O1	REAL300007748432	0	40	-1.0	-51.65	326.50	5.53	-46.12
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007748433	0	40	-1.0	-46.92	343.33	4.60	-42.32
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007748434	0	38	-1.0	-49.31	325.98	5.46	-43.85
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748435	0	37	-1.0	-57.99	315.34	4.54	-53.45
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007748436	0	41	-1.0	-47.35	315.24	4.91	-42.44
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007748437	0	36	-1.0	-49.62	322.01	5.42	-44.20
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007748438	0	33	-1.0	-45.87	283.62	3.34	-42.53
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007748439	0	35	-1.0	-48.54	308.70	6.37	-42.17
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007748440	0	39	-1.0	-46.67	318.73	4.65	-42.02
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(C)=C1F	REAL300007748441	0	41	-1.0	-44.29	315.76	6.61	-37.68
COC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1OC	REAL300007748442	0	40	-1.0	-49.66	325.42	4.83	-44.83
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=COC2=CC=CC=C12	REAL300007748443	0	35	-1.0	-49.57	296.72	5.13	-44.44
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007748444	0	45	-1.0	-49.70	350.58	5.52	-44.18
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748445	0	44	-1.0	-47.29	352.75	5.58	-41.71
CCCCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(C)=N1	REAL300007748446	0	44	-1.0	-49.58	354.44	5.56	-44.02
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007748447	0	39	-1.0	-50.26	321.07	4.67	-45.59
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007748448	0	36	-1.0	-52.18	312.41	4.19	-47.99
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007748449	0	37	-1.0	-56.99	313.99	3.35	-53.64
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1Br	REAL300007748450	0	38	-1.0	-46.51	321.44	6.64	-39.87
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CCCC(C)(C)C1	REAL300007748451	0	43	-1.0	-44.96	323.80	5.23	-39.73
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007748452	0	38	-1.0	-48.54	344.65	5.85	-42.69
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007748453	0	42	-1.0	-49.77	333.89	5.04	-44.73
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748454	0	50	-1.0	-44.73	379.01	8.42	-36.31
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007748455	0	38	-1.0	-44.32	340.15	6.44	-37.88
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007748456	0	42	-1.0	-50.90	344.24	5.24	-45.66
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007748457	0	36	-1.0	-52.29	312.81	5.75	-46.54
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007748458	0	43	-1.0	-48.13	366.45	7.75	-40.38
COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=NC=CC=C2C=C1	REAL300007748459	0	41	-1.0	-60.31	340.12	6.16	-54.15
CCCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748460	0	41	-1.0	-46.13	333.35	6.78	-39.35
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007748461	0	39	-1.0	-48.34	318.75	4.36	-43.98
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007748462	0	41	-1.0	-46.31	311.88	4.48	-41.83
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007748463	0	41	-1.0	-47.11	334.71	4.31	-42.80
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007748464	0	39	-1.0	-49.86	321.62	3.56	-46.30
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CN=C1C(F)(F)F	REAL300007748465	0	37	-1.0	-48.01	321.02	4.73	-43.28
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007748466	0	35	-1.0	-43.83	314.34	5.62	-38.21
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748467	0	43	-1.0	-50.50	353.53	6.60	-43.90
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007748468	0	43	-1.0	-47.21	339.53	7.71	-39.50
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007748469	0	38	-1.0	-49.33	338.70	5.75	-43.58
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007748470	0	38	-1.0	-47.22	317.72	5.41	-41.81
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007748471	0	39	-1.0	-52.40	328.12	3.34	-49.06
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748472	0	42	-1.0	-48.94	369.26	5.38	-43.56
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007748473	0	32	-1.0	-51.72	290.79	5.09	-46.63
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007748474	0	39	-1.0	-49.93	322.35	6.75	-43.18
COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=CS1	REAL300007748475	0	33	-1.0	-49.86	291.22	3.40	-46.46
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007748476	0	42	-1.0	-46.35	334.63	5.54	-40.81
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748477	0	41	-1.0	-46.36	329.81	4.83	-41.53
CC1C(C(=O)[O-])CCN1S(=O)(=O)N(C)C1CCCCCC1	REAL300007748478	0	46	-1.0	-44.89	344.19	5.93	-38.96
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007748479	0	46	-1.0	-49.80	360.49	3.74	-46.06
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007748480	0	38	-1.0	-45.22	322.18	6.10	-39.12
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007748481	0	36	-1.0	-48.87	308.20	4.15	-44.72
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007748482	0	47	-1.0	-48.37	363.79	7.51	-40.86
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)S1	REAL300007748483	0	33	-1.0	-45.81	298.44	3.40	-42.41
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=NC=CC=C12	REAL300007748484	0	43	-1.0	-58.15	337.45	7.03	-51.12
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007748485	0	40	-1.0	-48.84	323.31	4.99	-43.85
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(CCF)N=C1	REAL300007748486	0	35	-1.0	-46.46	302.85	3.29	-43.17
CCOCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748487	0	42	-1.0	-47.92	345.88	5.25	-42.67
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007748488	0	42	-1.0	-49.15	352.07	6.07	-43.08
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007748489	0	45	-1.0	-46.59	356.57	5.54	-41.05
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007748490	0	43	-1.0	-49.81	361.84	7.46	-42.35
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1CF	REAL300007748491	0	35	-1.0	-50.46	285.81	5.56	-44.90
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CC(C)=C1Br	REAL300007748492	0	38	-1.0	-45.32	332.35	6.68	-38.64
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=CC=CC=C12	REAL300007748493	0	41	-1.0	-51.03	327.54	7.51	-43.52
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007748494	0	42	-1.0	-50.31	344.29	6.16	-44.15
CC1C(C(=O)[O-])CCN1S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007748495	0	36	-1.0	-47.45	313.59	6.22	-41.23
CC1C(C(=O)[O-])CCN1S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007748496	0	36	-1.0	-48.59	323.42	6.72	-41.87
CC1C(C(=O)[O-])CCN1S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007748497	0	36	-1.0	-46.99	328.47	6.78	-40.21
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007748498	0	37	-1.0	-61.81	319.70	-1.39	-63.20
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007748499	0	35	-1.0	-52.56	293.31	5.26	-47.30
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1CCC(F)(F)CC1	REAL300007748500	0	38	-1.0	-53.04	302.32	5.39	-47.65
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007748501	0	34	-1.0	-50.73	299.76	3.94	-46.79
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCOC1CCOC1	REAL300007748502	0	40	-1.0	-48.69	329.89	2.19	-46.50
CC1=NC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C(C2=CC=CC=C2)O1	REAL300007748503	0	41	-1.0	-52.22	346.04	3.91	-48.31
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007748504	0	49	-1.0	-53.48	352.55	7.58	-45.90
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1CC(C)(C)CO1	REAL300007748505	0	42	-1.0	-55.47	335.93	4.21	-51.26
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007748506	0	35	-1.0	-59.34	300.91	0.63	-58.71
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007748507	0	40	-1.0	-51.22	314.68	5.16	-46.06
CC1C(C(=O)[O-])CCN1S(=O)(=O)CCCCS(C)(=O)=O	REAL300007748508	0	40	-1.0	-57.40	341.67	1.45	-55.95
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007748509	0	45	-1.0	-51.74	344.28	5.08	-46.66
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007748510	0	42	-1.0	-45.37	345.05	7.26	-38.11
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007748511	0	36	-1.0	-52.81	317.51	3.65	-49.16
CC1C(C(=O)[O-])CCN1S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007748512	0	42	-1.0	-56.57	357.57	7.60	-48.97
CC1C(C(=O)[O-])CCN1S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007748513	0	41	-1.0	-60.27	328.94	2.59	-57.68
CC1C(C(=O)[O-])CCN1S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007748514	0	45	-1.0	-44.28	337.03	6.59	-37.69
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007748515	0	36	-1.0	-45.89	318.47	6.26	-39.63
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007748516	0	54	-1.0	-50.28	402.84	8.84	-41.44
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748517	0	43	-1.0	-49.25	346.28	5.93	-43.32
COC1=CSC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1OC	REAL300007748518	0	37	-1.0	-47.33	325.92	3.61	-43.72
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007748519	0	44	-1.0	-47.86	330.33	5.39	-42.47
CC1C(C(=O)[O-])CCN1S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007748520	0	43	-1.0	-46.08	355.41	6.85	-39.23
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007748521	0	36	-1.0	-48.53	318.74	5.85	-42.68
COC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(F)=C1	REAL300007748522	0	36	-1.0	-48.14	313.26	4.54	-43.60
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007748523	0	36	-1.0	-52.74	317.04	4.24	-48.50
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007748524	0	38	-1.0	-48.94	318.06	4.93	-44.01
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007748525	0	39	-1.0	-50.24	322.54	6.33	-43.91
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007748526	0	41	-1.0	-45.10	347.74	5.05	-40.05
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748527	0	45	-1.0	-52.33	364.59	7.26	-45.07
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007748528	0	43	-1.0	-50.62	361.80	7.50	-43.12
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007748529	0	38	-1.0	-56.83	307.95	6.67	-50.16
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007748530	0	33	-1.0	-49.09	310.77	3.75	-45.34
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748531	0	43	-1.0	-47.11	352.63	6.19	-40.92
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(C2CC2)=N1	REAL300007748532	0	42	-1.0	-49.58	347.85	5.57	-44.01
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=NSN=C2C=C1	REAL300007748533	0	36	-1.0	-51.69	302.31	4.02	-47.67
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007748534	0	38	-1.0	-48.26	332.82	7.71	-40.55
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007748535	0	42	-1.0	-46.28	359.79	8.49	-37.79
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007748536	0	31	-1.0	-47.55	297.51	2.88	-44.67
CCC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=CC=C1Br	REAL300007748537	0	38	-1.0	-47.74	332.11	6.52	-41.22
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748538	0	45	-1.0	-46.93	361.32	6.13	-40.80
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(Cl)=CS1	REAL300007748539	0	29	-1.0	-46.22	276.63	4.38	-41.84
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748540	0	46	-1.0	-50.51	374.67	5.30	-45.21
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007748541	0	38	-1.0	-50.38	327.10	7.52	-42.86
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007748542	0	40	-1.0	-50.01	324.75	2.61	-47.40
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007748543	0	39	-1.0	-45.63	305.59	6.56	-39.07
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CCC(C)(C)CC1	REAL300007748544	0	43	-1.0	-45.50	327.53	5.01	-40.49
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007748545	0	47	-1.0	-51.04	375.05	4.99	-46.05
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748546	0	35	-1.0	-46.25	312.65	2.68	-43.57
COC1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1C	REAL300007748547	0	38	-1.0	-48.44	317.50	2.35	-46.09
CC(C)CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=N1	REAL300007748548	0	41	-1.0	-46.69	337.60	4.69	-42.00
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748549	0	41	-1.0	-49.47	330.11	4.54	-44.93
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007748550	0	42	-1.0	-49.74	334.13	2.76	-46.98
COCC1=CC(CS(=O)(=O)N2CCC(C(=O)[O-])C2C)=NO1	REAL300007748551	0	38	-1.0	-59.41	330.16	2.60	-56.81
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007748552	0	37	-1.0	-50.38	324.46	6.99	-43.39
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007748553	0	43	-1.0	-50.06	343.85	5.31	-44.75
CC(C)N1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748554	0	38	-1.0	-45.88	310.93	4.18	-41.70
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007748555	0	39	-1.0	-46.89	322.70	4.92	-41.97
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007748556	0	39	-1.0	-49.58	318.12	5.78	-43.80
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007748557	0	34	-1.0	-50.34	303.63	3.82	-46.52
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007748558	0	37	-1.0	-49.59	303.24	4.92	-44.67
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=NN1C(C)C	REAL300007748559	0	41	-1.0	-51.69	327.89	4.36	-47.33
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C=C1	REAL300007748560	0	46	-1.0	-49.97	381.97	8.18	-41.79
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007748561	0	37	-1.0	-53.40	307.18	5.34	-48.06
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CC=C(Br)CC1	REAL300007748562	0	35	-1.0	-43.85	299.79	4.21	-39.64
CC1C(C(=O)[O-])CCN1S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007748563	0	40	-1.0	-55.42	326.11	0.67	-54.75
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CC2CCC(C1)O2	REAL300007748564	0	39	-1.0	-50.85	307.60	2.88	-47.97
CC1C(C(=O)[O-])CCN1S(=O)(=O)N1CCC(C#N)CC1	REAL300007748565	0	38	-1.0	-47.37	312.97	4.42	-42.95
COC1=CC=NC(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748566	0	35	-1.0	-50.85	296.22	2.30	-48.55
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C(C(F)F)=C1	REAL300007748567	0	39	-1.0	-50.54	323.36	5.48	-45.06
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)N=C1	REAL300007748568	0	35	-1.0	-49.03	300.84	2.27	-46.76
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748569	0	38	-1.0	-46.17	335.03	3.18	-42.99
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007748570	0	37	-1.0	-49.40	298.94	5.00	-44.40
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(C(=O)[O-])C1C	REAL300007748571	0	38	-1.0	-54.26	320.51	4.04	-50.22
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)C2=NC=CC=C12	REAL300007748572	0	40	-1.0	-55.24	322.79	6.23	-49.01
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007748573	0	36	-1.0	-50.46	304.02	4.76	-45.70
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007748574	0	34	-1.0	-51.03	298.99	3.86	-47.17
CC1C(C(=O)[O-])CCN1S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007748575	0	39	-1.0	-48.44	342.62	5.75	-42.69
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC(C(=O)[O-])C2C)=C1	REAL300007748576	0	45	-1.0	-49.65	359.31	7.02	-42.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)CC)C=C1	REAL300007748577	0	43	-1.0	-53.37	353.74	7.74	-45.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OC	REAL300007748578	0	38	-1.0	-58.71	321.11	5.77	-52.94
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1C	REAL300007748579	0	34	-1.0	-51.80	304.67	6.21	-45.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)(F)F	REAL300007748580	0	35	-1.0	-43.65	310.23	5.92	-37.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(C)(=O)=O)C=C1	REAL300007748581	0	37	-1.0	-59.11	335.76	2.67	-56.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)(F)F)=C1	REAL300007748582	0	35	-1.0	-43.80	321.89	4.98	-38.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1C	REAL300007748583	0	42	-1.0	-53.68	342.26	4.80	-48.88
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1C	REAL300007748584	0	34	-1.0	-52.12	309.37	6.53	-45.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2CCCCC2)C=C1	REAL300007748585	0	47	-1.0	-44.24	377.75	9.00	-35.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCOC2=C1	REAL300007748586	0	37	-1.0	-48.75	320.39	4.34	-44.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1Br	REAL300007748587	0	31	-1.0	-45.63	279.41	5.31	-40.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1	REAL300007748588	0	31	-1.0	-43.93	297.21	5.81	-38.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC=C1[N+](=O)[O-]	REAL300007748589	0	36	-1.0	-59.63	295.31	6.48	-53.15
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC(Cl)=C1	REAL300007748590	0	37	-1.0	-55.61	336.82	7.17	-48.44
CCCN(CC(=O)[O-])S(=O)(=O)CCCS(=O)(=O)N(C)C	REAL300007748591	0	41	-1.0	-66.73	354.00	1.50	-65.23
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(=O)C(C)C)C=C1	REAL300007748592	0	42	-1.0	-47.76	358.51	7.03	-40.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OC1	REAL300007748593	0	37	-1.0	-47.19	316.17	5.55	-41.64
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(COC)C=C1	REAL300007748594	0	38	-1.0	-54.51	330.13	4.88	-49.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)N=C1	REAL300007748595	0	37	-1.0	-50.15	324.04	2.72	-47.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CS(C)(=O)=O)C=C1	REAL300007748596	0	40	-1.0	-66.85	360.09	3.35	-63.50
CCCN(CC(=O)[O-])S(=O)(=O)CCCS(C)(=O)=O	REAL300007748597	0	36	-1.0	-71.13	319.70	0.97	-70.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1C	REAL300007748598	0	41	-1.0	-53.31	329.21	5.55	-47.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC2=C1OCC2	REAL300007748599	0	36	-1.0	-56.78	330.74	5.82	-50.96
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1	REAL300007748600	0	34	-1.0	-40.98	318.95	6.52	-34.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CN=C2C=C1	REAL300007748601	0	36	-1.0	-54.12	315.91	5.53	-48.59
CCCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300007748602	0	48	-1.0	-56.91	413.08	4.34	-52.57
CCCN(CC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	REAL300007748603	0	41	-1.0	-59.43	343.65	0.61	-58.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(C2=CC=CC=N2)N=C1	REAL300007748604	0	40	-1.0	-51.59	342.15	6.38	-45.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC)N=C1C	REAL300007748605	0	40	-1.0	-52.68	331.75	5.00	-47.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(C)C)C=N1	REAL300007748606	0	40	-1.0	-46.94	340.71	6.14	-40.80
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(C)C	REAL300007748607	0	43	-1.0	-56.33	329.75	7.96	-48.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C2=CC=CC=C21	REAL300007748608	0	44	-1.0	-62.68	379.57	8.17	-54.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=NN=NN2C)=C1	REAL300007748609	0	39	-1.0	-66.26	341.43	4.56	-61.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Br)=CC=C2OC1	REAL300007748610	0	37	-1.0	-51.56	339.59	6.21	-45.35
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(OC)C=C1Cl	REAL300007748611	0	39	-1.0	-54.66	347.28	5.06	-49.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=C(Br)C=C1OC	REAL300007748612	0	39	-1.0	-53.89	349.57	5.07	-48.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Br)=C1	REAL300007748613	0	34	-1.0	-41.53	315.40	6.39	-35.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=CC=CC=C21	REAL300007748614	0	37	-1.0	-41.50	314.38	7.20	-34.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300007748615	0	36	-1.0	-51.95	331.31	7.18	-44.77
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(F)=C1	REAL300007748616	0	35	-1.0	-43.82	321.36	4.83	-38.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C2=CC=CN=C21	REAL300007748617	0	38	-1.0	-46.96	335.84	6.83	-40.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC(C)C)N=C1C	REAL300007748618	0	46	-1.0	-54.86	364.78	6.05	-48.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=C1	REAL300007748619	0	34	-1.0	-52.94	307.25	6.02	-46.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(COC)=CC=C1OC	REAL300007748620	0	42	-1.0	-58.96	354.77	4.83	-54.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC	REAL300007748623	0	35	-1.0	-56.31	306.10	5.17	-51.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1	REAL300007748624	0	36	-1.0	-49.84	339.72	6.95	-42.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OCCOC	REAL300007748625	0	42	-1.0	-59.28	359.07	5.46	-53.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1	REAL300007748626	0	42	-1.0	-49.38	367.76	2.16	-47.22
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007748627	0	49	-1.0	-42.52	362.64	6.86	-35.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(C)N=C21	REAL300007748628	0	39	-1.0	-53.71	331.05	6.80	-46.91
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007748629	0	39	-1.0	-47.48	338.82	7.06	-40.42
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007748630	0	42	-1.0	-54.36	352.72	3.68	-50.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC	REAL300007748631	0	45	-1.0	-61.26	393.29	6.42	-54.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC	REAL300007748632	0	45	-1.0	-60.59	386.96	6.49	-54.10
CCCN(CC(=O)[O-])S(=O)(=O)CCOCCOCCOC	REAL300007748633	0	45	-1.0	-58.48	379.20	2.26	-56.22
CCCN(CC(=O)[O-])S(=O)(=O)CC(C)COC1CCCC1	REAL300007748634	0	47	-1.0	-40.55	374.71	6.54	-34.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007748635	0	46	-1.0	-46.75	393.32	6.63	-40.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1	REAL300007748636	0	38	-1.0	-51.13	343.20	5.44	-45.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007748637	0	39	-1.0	-45.91	334.31	2.95	-42.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC(OC)=C1	REAL300007748638	0	35	-1.0	-51.55	325.76	5.07	-46.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007748639	0	35	-1.0	-52.02	315.86	5.44	-46.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1	REAL300007748640	0	37	-1.0	-42.27	331.42	5.93	-36.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C	REAL300007748641	0	37	-1.0	-51.47	331.39	7.01	-44.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C	REAL300007748642	0	37	-1.0	-53.01	317.79	6.41	-46.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1	REAL300007748643	0	37	-1.0	-40.86	330.33	6.71	-34.15
CCCN(CC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300007748644	0	43	-1.0	-57.85	348.51	2.14	-55.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OCC)=C1	REAL300007748645	0	38	-1.0	-48.91	327.27	5.41	-43.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CCOC)N=C1	REAL300007748646	0	38	-1.0	-54.94	330.90	2.54	-52.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007748647	0	38	-1.0	-58.14	339.42	5.69	-52.45
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(CCC)CC(=O)[O-])=C1C	REAL300007748648	0	58	-1.0	-54.15	458.90	9.62	-44.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1	REAL300007748649	0	45	-1.0	-42.93	386.96	3.12	-39.81
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007748650	0	39	-1.0	-58.74	348.30	7.33	-51.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007748651	0	36	-1.0	-54.91	316.16	5.52	-49.39
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007748652	0	34	-1.0	-41.63	318.95	6.51	-35.12
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007748653	0	34	-1.0	-56.44	315.37	6.45	-49.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007748654	0	38	-1.0	-64.21	340.55	3.06	-61.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(Br)=C1	REAL300007748655	0	34	-1.0	-52.61	317.69	6.43	-46.18
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(Br)=C1C	REAL300007748656	0	34	-1.0	-53.91	309.48	6.52	-47.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1COC	REAL300007748657	0	38	-1.0	-55.50	319.71	5.13	-50.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(OC)=C1	REAL300007748658	0	35	-1.0	-41.85	325.83	5.17	-36.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC	REAL300007748659	0	39	-1.0	-47.68	344.47	4.94	-42.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007748660	0	34	-1.0	-54.91	315.10	4.00	-50.91
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007748661	0	34	-1.0	-57.65	309.07	3.82	-53.83
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007748662	0	42	-1.0	-53.94	348.59	6.18	-47.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007748663	0	34	-1.0	-58.72	313.57	4.34	-54.38
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC	REAL300007748664	0	42	-1.0	-63.22	350.01	3.97	-59.25
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(I)=C1	REAL300007748665	0	34	-1.0	-41.50	321.26	6.83	-34.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1	REAL300007748666	0	43	-1.0	-57.37	378.73	4.37	-53.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(CC)CC)=C1	REAL300007748667	0	48	-1.0	-57.94	411.73	4.86	-53.08
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1SC	REAL300007748668	0	35	-1.0	-46.44	299.13	5.68	-40.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CNS(=O)(=O)CCC)C=C1	REAL300007748669	0	48	-1.0	-62.36	417.96	3.66	-58.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007748670	0	39	-1.0	-44.50	354.84	1.96	-42.54
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCNS(=O)(=O)CC)S1	REAL300007748671	0	45	-1.0	-50.52	411.37	2.83	-47.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C=C1OC	REAL300007748672	0	46	-1.0	-52.78	393.79	2.71	-50.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C=C1F	REAL300007748673	0	45	-1.0	-49.16	393.27	3.50	-45.66
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300007748674	0	45	-1.0	-55.28	394.21	2.94	-52.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007748675	0	42	-1.0	-74.66	353.88	4.59	-70.07
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CCC)C(F)=C1	REAL300007748676	0	45	-1.0	-43.60	397.81	3.64	-39.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007748677	0	46	-1.0	-46.99	372.40	5.97	-41.02
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1	REAL300007748678	0	42	-1.0	-43.64	376.31	2.85	-40.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007748679	0	46	-1.0	-42.08	389.64	5.62	-36.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007748680	0	43	-1.0	-44.95	363.10	4.64	-40.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1	REAL300007748681	0	40	-1.0	-57.97	358.05	3.60	-54.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC	REAL300007748682	0	41	-1.0	-63.87	360.39	2.63	-61.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(Br)=C1	REAL300007748683	0	38	-1.0	-45.70	347.67	6.08	-39.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1	REAL300007748684	0	45	-1.0	-45.90	384.08	8.27	-37.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007748685	0	35	-1.0	-51.91	326.18	5.90	-46.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007748686	0	37	-1.0	-52.77	355.53	3.27	-49.50
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(OC)=CC=C1Br	REAL300007748687	0	38	-1.0	-57.73	344.79	5.75	-51.98
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007748688	0	45	-1.0	-52.39	388.00	7.11	-45.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(C)C=C1OC	REAL300007748689	0	38	-1.0	-56.13	339.17	6.29	-49.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300007748690	0	43	-1.0	-54.27	365.66	6.69	-47.58
CCCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)CC	REAL300007748691	0	38	-1.0	-63.64	334.58	-0.31	-63.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1	REAL300007748692	0	37	-1.0	-44.11	327.45	6.47	-37.64
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007748693	0	34	-1.0	-51.86	331.02	7.10	-44.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21	REAL300007748694	0	37	-1.0	-46.52	339.00	7.95	-38.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007748695	0	34	-1.0	-42.74	313.62	6.50	-36.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007748696	0	37	-1.0	-62.59	333.09	8.09	-54.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007748697	0	37	-1.0	-55.65	336.05	6.93	-48.72
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007748698	0	42	-1.0	-44.90	355.05	6.51	-38.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007748699	0	45	-1.0	-58.80	385.52	8.64	-50.16
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007748700	0	44	-1.0	-50.36	383.30	6.75	-43.61
CCCN(CC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007748701	0	42	-1.0	-47.60	373.91	2.24	-45.36
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21	REAL300007748702	0	40	-1.0	-45.27	342.13	8.03	-37.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(N(C)C)=C1	REAL300007748703	0	42	-1.0	-45.90	350.80	5.86	-40.04
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007748704	0	37	-1.0	-42.62	335.34	7.11	-35.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007748705	0	36	-1.0	-50.28	311.19	2.18	-48.10
CCCN(CC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300007748706	0	44	-1.0	-42.94	358.64	5.64	-37.30
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C(OC)C=C1C	REAL300007748707	0	38	-1.0	-54.23	337.15	5.83	-48.40
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007748708	0	40	-1.0	-51.09	358.35	3.41	-47.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C(Cl)=C1	REAL300007748709	0	35	-1.0	-45.76	331.11	6.66	-39.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(CC)N(C)N=C1CC	REAL300007748710	0	43	-1.0	-44.44	347.46	5.62	-38.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007748711	0	39	-1.0	-51.51	346.19	3.73	-47.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(CC)C2=C1	REAL300007748712	0	38	-1.0	-47.01	337.20	2.90	-44.11
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007748713	0	42	-1.0	-44.57	372.48	5.03	-39.54
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007748714	0	36	-1.0	-44.05	320.27	4.31	-39.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007748715	0	37	-1.0	-52.60	342.12	8.02	-44.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(CC)C=C(CC)C=C1CC	REAL300007748716	0	49	-1.0	-53.91	378.98	9.54	-44.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1NS(=O)(=O)CC	REAL300007748717	1	46	-1.0	-46.69	390.30	2.66	-44.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007748718	0	38	-1.0	-56.43	322.28	5.23	-51.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007748719	0	37	-1.0	-49.97	343.61	3.19	-46.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007748720	0	40	-1.0	-65.09	342.13	8.94	-56.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1C	REAL300007748721	0	38	-1.0	-52.56	318.03	4.94	-47.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007748722	0	40	-1.0	-43.70	328.57	6.36	-37.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007748724	0	39	-1.0	-46.50	345.39	6.46	-40.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(COC)=C1	REAL300007748725	0	38	-1.0	-53.16	346.79	5.38	-47.78
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C)C=C1F	REAL300007748726	0	37	-1.0	-60.17	325.33	6.59	-53.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007748728	0	31	-1.0	-38.08	308.63	5.39	-32.69
CCCN(CC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007748729	0	44	-1.0	-57.80	363.58	8.46	-49.34
CCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007748730	0	42	-1.0	-60.09	356.70	5.90	-54.19
CCCN(CC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007748731	0	40	-1.0	-46.33	335.03	2.34	-43.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007748732	0	34	-1.0	-51.87	311.58	5.63	-46.24
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=C(C)N=CS1	REAL300007748733	0	36	-1.0	-43.41	322.67	4.40	-39.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1	REAL300007748734	0	43	-1.0	-54.46	354.82	6.72	-47.74
CCCN(CC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300007748735	0	44	-1.0	-42.63	331.32	7.18	-35.45
CCCN(CC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007748736	0	42	-1.0	-52.80	347.13	2.30	-50.50
CCCN(CC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300007748737	0	40	-1.0	-45.33	327.58	6.35	-38.98
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1	REAL300007748738	0	46	-1.0	-47.78	399.33	8.44	-39.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1	REAL300007748739	0	50	-1.0	-45.16	417.43	5.96	-39.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1	REAL300007748740	0	39	-1.0	-50.53	338.35	7.02	-43.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007748741	0	31	-1.0	-50.51	296.36	5.77	-44.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007748742	0	33	-1.0	-49.36	303.28	5.82	-43.54
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007748743	0	37	-1.0	-55.03	320.88	7.42	-47.61
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007748744	0	33	-1.0	-49.20	304.12	5.86	-43.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C	REAL300007748745	0	36	-1.0	-53.40	311.65	6.26	-47.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007748746	0	33	-1.0	-49.29	287.52	6.47	-42.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OCC	REAL300007748747	0	38	-1.0	-56.66	342.69	6.64	-50.02
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C=C1	REAL300007748748	0	38	-1.0	-53.45	326.40	5.37	-48.08
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=CC(C)=C1C	REAL300007748749	0	43	-1.0	-44.81	327.43	7.42	-37.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C	REAL300007748750	0	46	-1.0	-47.74	363.08	8.20	-39.54
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007748751	0	34	-1.0	-44.94	314.96	6.22	-38.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007748752	0	34	-1.0	-59.73	303.09	6.51	-53.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1	REAL300007748753	0	37	-1.0	-41.62	331.41	5.93	-35.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007748754	0	43	-1.0	-44.72	352.11	7.52	-37.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(CC)CC)C=C1	REAL300007748755	0	48	-1.0	-54.91	411.82	4.87	-50.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007748756	0	42	-1.0	-55.34	370.67	3.15	-52.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Br)=C1	REAL300007748757	0	35	-1.0	-45.85	325.80	5.16	-40.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007748758	0	37	-1.0	-48.68	348.94	6.93	-41.75
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C(C)=C1	REAL300007748759	0	34	-1.0	-41.60	315.40	6.38	-35.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1	REAL300007748760	0	45	-1.0	-45.89	386.00	8.70	-37.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007748761	0	35	-1.0	-49.94	321.04	4.94	-45.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C	REAL300007748762	0	46	-1.0	-54.01	339.62	7.77	-46.24
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007748763	0	40	-1.0	-46.19	338.69	5.13	-41.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC	REAL300007748764	0	47	-1.0	-58.43	375.85	7.42	-51.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300007748765	0	38	-1.0	-55.59	350.38	7.53	-48.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1	REAL300007748766	0	36	-1.0	-50.56	320.11	6.38	-44.18
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=CC=C1OC	REAL300007748767	0	35	-1.0	-55.92	321.00	5.73	-50.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C	REAL300007748768	0	49	-1.0	-44.63	373.78	8.87	-35.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007748769	0	34	-1.0	-40.45	314.65	6.20	-34.25
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007748770	0	41	-1.0	-54.09	337.70	7.64	-46.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC=C1OC	REAL300007748771	0	39	-1.0	-59.15	329.17	4.40	-54.75
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(OC)=C1	REAL300007748772	0	39	-1.0	-47.38	334.62	4.39	-42.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007748773	0	39	-1.0	-54.41	325.38	7.43	-46.98
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCC(C)C)C=C1	REAL300007748774	0	46	-1.0	-53.66	378.52	8.66	-45.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(OCC)=C1	REAL300007748775	0	45	-1.0	-45.11	378.34	6.24	-38.87
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007748776	0	36	-1.0	-56.86	329.30	0.10	-56.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1	REAL300007748777	0	39	-1.0	-51.81	339.39	6.99	-44.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C	REAL300007748778	0	39	-1.0	-54.06	337.49	7.22	-46.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC(C)=CN=C21	REAL300007748779	0	39	-1.0	-65.05	332.83	6.95	-58.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-]	REAL300007748780	0	37	-1.0	-45.89	316.97	5.77	-40.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1OC	REAL300007748781	0	35	-1.0	-44.05	315.73	5.59	-38.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007748782	0	36	-1.0	-54.06	330.14	0.14	-53.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007748783	0	43	-1.0	-44.36	383.41	2.99	-41.37
CCCN(CC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007748784	0	39	-1.0	-55.60	340.28	6.63	-48.97
CCCN(CC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007748785	0	40	-1.0	-51.96	329.54	6.31	-45.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C2=NC=CC=C12	REAL300007748786	0	39	-1.0	-45.68	319.11	5.94	-39.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-]	REAL300007748787	0	39	-1.0	-67.71	332.75	8.03	-59.68
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007748788	0	42	-1.0	-59.66	371.30	3.11	-56.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007748789	0	43	-1.0	-64.34	361.50	4.47	-59.87
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007748790	0	37	-1.0	-58.12	336.61	2.71	-55.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007748791	0	41	-1.0	-59.72	343.21	8.89	-50.83
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007748792	0	37	-1.0	-61.24	316.39	7.58	-53.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007748793	0	41	-1.0	-46.32	350.08	8.60	-37.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007748794	0	45	-1.0	-58.17	369.83	7.43	-50.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007748795	0	32	-1.0	-60.60	298.07	3.71	-56.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC	REAL300007748796	0	35	-1.0	-56.04	316.43	5.63	-50.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1	REAL300007748797	0	46	-1.0	-44.60	366.33	7.99	-36.61
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(Cl)=C1	REAL300007748798	0	34	-1.0	-41.45	311.36	6.30	-35.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C=C1	REAL300007748799	0	41	-1.0	-53.28	344.32	6.00	-47.28
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007748800	0	34	-1.0	-41.66	314.38	6.40	-35.26
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007748801	0	36	-1.0	-60.91	334.86	7.86	-53.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007748802	0	36	-1.0	-52.86	310.74	6.27	-46.59
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007748803	0	42	-1.0	-48.16	381.40	8.58	-39.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC	REAL300007748804	0	37	-1.0	-42.27	327.22	5.74	-36.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(F)=C1	REAL300007748805	0	35	-1.0	-47.38	311.60	4.56	-42.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007748806	0	42	-1.0	-43.06	381.30	8.55	-34.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1	REAL300007748807	0	46	-1.0	-44.83	394.09	7.33	-37.50
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C	REAL300007748808	0	58	-1.0	-43.95	424.99	10.67	-33.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21	REAL300007748809	0	47	-1.0	-58.64	385.00	8.48	-50.16
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007748810	0	34	-1.0	-39.29	329.56	6.86	-32.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21	REAL300007748811	0	41	-1.0	-59.38	344.70	6.93	-52.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C2(C)NC(=O)NC2=O)=C1	REAL300007748812	0	47	-1.0	-58.96	394.54	2.83	-56.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C	REAL300007748813	0	36	-1.0	-50.41	320.87	6.68	-43.73
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C	REAL300007748814	0	36	-1.0	-54.59	314.22	6.47	-48.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC	REAL300007748815	0	39	-1.0	-54.54	336.62	7.56	-46.98
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC(C)C)C=C1	REAL300007748816	0	43	-1.0	-53.75	356.21	7.83	-45.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CCOC)C=C1	REAL300007748817	0	41	-1.0	-53.84	351.63	5.66	-48.18
CCCN(CC(=O)[O-])S(=O)(=O)N(CCOC)CCOC	REAL300007748818	0	43	-1.0	-52.32	347.93	2.17	-50.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1C	REAL300007748819	0	34	-1.0	-51.90	300.11	6.11	-45.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C(C)=C1	REAL300007748820	0	41	-1.0	-53.15	344.72	5.80	-47.35
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCC(C)C)C=C1	REAL300007748821	0	47	-1.0	-52.88	386.97	7.48	-45.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007748822	0	45	-1.0	-44.55	370.55	7.42	-37.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(C)C)C=C1	REAL300007748823	0	44	-1.0	-53.06	368.01	6.87	-46.19
CCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300007748824	0	41	-1.0	-53.00	347.90	6.18	-46.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(Cl)=C1	REAL300007748825	0	35	-1.0	-45.94	321.40	5.04	-40.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007748826	0	35	-1.0	-44.05	331.17	5.33	-38.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C(C)=C1	REAL300007748827	0	38	-1.0	-44.44	325.47	5.23	-39.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1	REAL300007748828	0	44	-1.0	-45.00	365.23	6.78	-38.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC)C=C1C	REAL300007748829	0	38	-1.0	-43.89	311.10	4.85	-39.04
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOC)C=C1	REAL300007748830	0	42	-1.0	-55.78	360.03	4.64	-51.14
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1C	REAL300007748831	0	34	-1.0	-52.01	313.94	6.64	-45.37
CCCN(CC(=O)[O-])S(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C	REAL300007748832	0	39	-1.0	-58.98	315.20	7.71	-51.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C	REAL300007748833	0	40	-1.0	-61.90	344.14	3.11	-58.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007748834	0	43	-1.0	-48.53	384.92	3.05	-45.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1	REAL300007748835	0	39	-1.0	-56.14	351.68	1.32	-54.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC	REAL300007748836	0	39	-1.0	-63.28	333.33	3.08	-60.20
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007748837	0	34	-1.0	-43.47	297.73	6.01	-37.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC)=C1	REAL300007748838	0	35	-1.0	-41.84	311.62	4.57	-37.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007748839	0	41	-1.0	-45.83	350.09	8.60	-37.23
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007748840	0	34	-1.0	-39.82	331.17	6.91	-32.91
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1	REAL300007748841	0	37	-1.0	-53.56	354.90	5.73	-47.83
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007748842	0	51	-1.0	-52.94	409.63	8.77	-44.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC2=CC=CN=C21	REAL300007748843	0	39	-1.0	-50.88	323.31	6.79	-44.09
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)C(C(=O)NC)=C1	REAL300007748844	0	39	-1.0	-55.85	339.50	2.79	-53.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(OC)C=C1C	REAL300007748845	0	41	-1.0	-43.86	327.00	5.83	-38.03
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007748846	0	42	-1.0	-54.94	355.36	9.04	-45.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C	REAL300007748847	0	41	-1.0	-55.58	341.19	6.01	-49.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=NC=CC=C21	REAL300007748848	0	39	-1.0	-55.09	316.39	6.17	-48.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007748849	0	36	-1.0	-48.71	299.05	5.22	-43.49
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007748850	0	44	-1.0	-49.31	375.71	9.03	-40.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-]	REAL300007748851	0	36	-1.0	-63.98	325.02	5.86	-58.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007748852	0	38	-1.0	-55.11	345.98	5.84	-49.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007748853	0	45	-1.0	-54.45	386.31	8.44	-46.01
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(C(=O)CC)=C1	REAL300007748854	0	39	-1.0	-55.91	338.97	6.45	-49.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007748855	0	41	-1.0	-53.51	361.55	6.71	-46.80
CCCN(CC(=O)[O-])S(=O)(=O)N(CCC(C)C)CCC(C)C	REAL300007748856	0	53	-1.0	-54.46	408.19	7.84	-46.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007748857	0	39	-1.0	-58.09	348.62	1.87	-56.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007748858	0	46	-1.0	-59.77	396.90	4.28	-55.49
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21	REAL300007748859	0	44	-1.0	-58.98	366.56	7.85	-51.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC=C1OCC	REAL300007748860	0	41	-1.0	-59.48	342.82	6.69	-52.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007748861	0	36	-1.0	-62.45	323.25	5.32	-57.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007748862	0	38	-1.0	-54.68	336.12	6.25	-48.43
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOCC)C=C1	REAL300007748863	0	45	-1.0	-55.72	381.88	5.61	-50.11
CCCCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300007748864	0	47	-1.0	-52.87	390.90	7.74	-45.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007748865	0	41	-1.0	-57.34	331.86	7.81	-49.53
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007748866	0	37	-1.0	-56.97	323.25	6.97	-50.00
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007748867	0	35	-1.0	-50.11	331.44	6.62	-43.49
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007748868	0	39	-1.0	-55.46	337.54	6.43	-49.03
CCCN(CC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007748869	0	37	-1.0	-43.31	310.41	1.36	-41.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007748870	0	36	-1.0	-58.48	323.24	5.33	-53.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C=C1C	REAL300007748871	0	41	-1.0	-43.84	332.96	5.78	-38.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1	REAL300007748872	0	39	-1.0	-54.81	352.51	1.36	-53.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007748873	0	35	-1.0	-47.63	308.76	5.34	-42.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(SC)C=C1	REAL300007748874	0	35	-1.0	-53.30	315.25	6.18	-47.12
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007748875	0	37	-1.0	-41.46	336.71	6.91	-34.55
CCCN(CC(=O)[O-])S(=O)(=O)N(CC)CC1=CC=CC=C1	REAL300007748876	0	42	-1.0	-56.27	342.51	6.81	-49.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007748877	0	37	-1.0	-48.45	313.78	4.85	-43.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007748878	0	36	-1.0	-44.94	298.60	5.10	-39.84
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007748879	0	43	-1.0	-56.23	364.65	7.01	-49.22
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1	REAL300007748880	0	37	-1.0	-40.64	330.33	6.72	-33.92
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007748881	0	37	-1.0	-56.29	348.00	5.95	-50.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007748882	0	40	-1.0	-55.92	339.75	6.75	-49.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C	REAL300007748883	0	39	-1.0	-44.61	342.24	4.91	-39.70
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC=C1OC	REAL300007748884	0	38	-1.0	-58.64	343.48	5.76	-52.88
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(COC)=C1	REAL300007748885	0	38	-1.0	-46.11	330.97	4.92	-41.19
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007748886	0	42	-1.0	-49.99	350.23	6.56	-43.43
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007748887	0	34	-1.0	-56.79	312.17	6.33	-50.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007748888	0	43	-1.0	-55.17	372.48	3.69	-51.48
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007748889	0	38	-1.0	-41.24	343.65	5.69	-35.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Br)=C(OC)C=C1OC	REAL300007748890	0	39	-1.0	-47.72	348.86	5.05	-42.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007748891	0	39	-1.0	-63.85	338.35	6.00	-57.85
CCCN(CC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007748892	0	34	-1.0	-46.35	324.56	6.80	-39.55
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300007748893	0	39	-1.0	-53.17	332.03	5.76	-47.41
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(CC)C=CC=C1CC	REAL300007748894	0	43	-1.0	-41.86	326.18	7.81	-34.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C	REAL300007748895	0	43	-1.0	-53.11	354.92	3.63	-49.48
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007748896	0	42	-1.0	-45.05	381.30	8.54	-36.51
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007748897	0	37	-1.0	-46.05	342.36	5.88	-40.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007748898	0	37	-1.0	-55.93	358.32	6.40	-49.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1	REAL300007748899	0	40	-1.0	-56.31	351.34	4.21	-52.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007748900	0	34	-1.0	-41.35	311.32	3.65	-37.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007748901	0	34	-1.0	-51.77	301.02	3.81	-47.96
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007748902	0	39	-1.0	-53.66	328.67	5.78	-47.88
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1	REAL300007748903	0	41	-1.0	-53.50	353.11	6.72	-46.78
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007748904	0	39	-1.0	-42.00	349.67	6.31	-35.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1	REAL300007748905	0	36	-1.0	-40.14	320.10	6.38	-33.76
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1	REAL300007748906	0	42	-1.0	-56.19	363.38	5.90	-50.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007748907	0	33	-1.0	-52.72	307.01	4.63	-48.09
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300007748908	0	39	-1.0	-55.79	327.56	5.58	-50.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1	REAL300007748909	0	40	-1.0	-54.77	342.22	8.08	-46.69
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300007748910	0	39	-1.0	-46.79	327.02	5.57	-41.22
CCCN(CC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007748911	0	36	-1.0	-59.78	321.93	5.22	-54.56
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007748912	0	37	-1.0	-55.62	336.81	7.18	-48.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007748913	0	43	-1.0	-49.55	350.11	5.73	-43.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007748914	0	33	-1.0	-50.03	309.74	4.37	-45.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(OC)C=CC=C1OC	REAL300007748915	0	39	-1.0	-62.95	327.01	5.67	-57.28
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C	REAL300007748916	0	39	-1.0	-53.48	335.60	7.17	-46.31
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-]	REAL300007748917	0	39	-1.0	-54.27	324.69	7.98	-46.29
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C	REAL300007748918	0	39	-1.0	-49.40	330.37	7.04	-42.36
CCCN(CC(=O)[O-])S(=O)(=O)CCC1=CC=C(OC)C=C1	REAL300007748919	0	41	-1.0	-56.95	349.59	5.96	-50.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007748920	0	40	-1.0	-43.59	349.04	6.85	-36.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(OC)=CC(OC)=C1	REAL300007748921	0	39	-1.0	-55.37	333.95	3.75	-51.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1C)OCO2	REAL300007748922	0	37	-1.0	-53.39	318.62	4.68	-48.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(OC)=C1	REAL300007748923	0	35	-1.0	-41.76	321.44	5.05	-36.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007748924	0	37	-1.0	-56.58	324.11	6.53	-50.05
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CN=C21	REAL300007748925	0	39	-1.0	-62.67	322.37	6.57	-56.10
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C)OC2=C1	REAL300007748926	0	36	-1.0	-46.49	319.59	2.86	-43.63
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(CC)C(CC)=C1	REAL300007748927	0	43	-1.0	-46.22	352.96	7.76	-38.46
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C	REAL300007748928	0	39	-1.0	-40.03	325.77	7.22	-32.81
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(C)C=C1OC	REAL300007748929	0	41	-1.0	-57.52	332.57	6.62	-50.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007748930	0	32	-1.0	-50.21	297.54	3.06	-47.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300007748931	0	38	-1.0	-54.89	323.79	4.96	-49.93
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007748932	0	37	-1.0	-64.40	324.57	7.27	-57.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007748933	0	34	-1.0	-45.01	289.29	4.02	-40.99
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(F)C(C)=C1	REAL300007748934	0	37	-1.0	-50.97	318.17	6.26	-44.71
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007748935	0	38	-1.0	-46.31	331.89	4.96	-41.35
CCCN(CC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007748936	0	44	-1.0	-42.63	374.67	6.73	-35.90
CCCN(CC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007748937	0	35	-1.0	-49.47	305.50	5.13	-44.34
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007748938	0	33	-1.0	-49.65	303.39	4.97	-44.68
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007748939	0	34	-1.0	-41.05	314.38	6.41	-34.64
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C)=C1	REAL300007748940	0	34	-1.0	-41.61	311.35	6.29	-35.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007748941	0	37	-1.0	-47.50	324.02	6.17	-41.33
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1	REAL300007748942	0	40	-1.0	-54.01	361.20	6.62	-47.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007748943	0	39	-1.0	-44.64	308.52	6.51	-38.13
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007748944	0	38	-1.0	-48.61	341.01	3.04	-45.57
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007748945	0	40	-1.0	-49.42	332.44	5.57	-43.85
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007748946	0	34	-1.0	-55.88	318.45	6.41	-49.47
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300007748947	0	56	-1.0	-52.90	455.39	10.09	-42.81
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(CCC)CC(=O)[O-]	REAL300007748948	0	41	-1.0	-56.68	364.19	7.45	-49.23
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(C)CC)=C1	REAL300007748949	0	44	-1.0	-49.58	365.93	6.85	-42.73
CCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCCC1	REAL300007748950	0	44	-1.0	-56.41	352.70	5.50	-50.91
CCCN(CC(=O)[O-])S(=O)(=O)CC(OC)C1CCCCC1	REAL300007748951	0	47	-1.0	-56.83	366.52	6.18	-50.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007748952	0	45	-1.0	-48.39	393.37	8.54	-39.85
CCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1C(C)C	REAL300007748953	0	50	-1.0	-44.19	407.36	8.24	-35.95
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(CC2CC2)C(CC)=N1	REAL300007748954	0	44	-1.0	-62.06	369.71	6.94	-55.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007748955	0	34	-1.0	-45.29	315.85	4.69	-40.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C	REAL300007748956	0	39	-1.0	-52.88	332.00	7.18	-45.70
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007748957	0	38	-1.0	-50.55	318.94	4.99	-45.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007748958	0	44	-1.0	-51.71	372.79	7.39	-44.32
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007748959	0	34	-1.0	-42.35	314.13	3.69	-38.66
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007748960	0	42	-1.0	-55.90	375.60	9.25	-46.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007748961	0	41	-1.0	-62.22	341.16	8.69	-53.53
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1	REAL300007748962	0	51	-1.0	-53.88	426.48	9.82	-44.06
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(CC)=C(OC)C=C1C	REAL300007748963	0	44	-1.0	-52.80	354.25	6.35	-46.45
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007748964	0	37	-1.0	-49.96	346.27	7.02	-42.94
CCCN(CC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007748965	0	33	-1.0	-60.43	299.57	4.03	-56.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=CC2=CC=CC=C21	REAL300007748966	0	40	-1.0	-47.27	323.89	8.15	-39.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC(C)C)N=C1	REAL300007748967	0	40	-1.0	-50.31	344.18	3.66	-46.65
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC(F)=C1OC	REAL300007748968	0	35	-1.0	-53.97	303.42	5.35	-48.62
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1	REAL300007748969	0	47	-1.0	-44.41	385.86	7.44	-36.97
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007748970	0	43	-1.0	-41.55	354.11	7.45	-34.10
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007748971	0	50	-1.0	-43.52	399.51	9.70	-33.82
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007748972	0	41	-1.0	-50.55	328.75	5.03	-45.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007748973	0	43	-1.0	-56.50	349.56	5.63	-50.87
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007748974	0	41	-1.0	-45.12	343.55	5.54	-39.58
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007748975	0	34	-1.0	-43.33	302.19	3.92	-39.41
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1OC	REAL300007748976	0	38	-1.0	-58.94	333.16	5.31	-53.63
C=CCCC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1	REAL300007748977	0	41	-1.0	-53.83	352.27	7.93	-45.90
CCCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1C(C)C	REAL300007748978	0	53	-1.0	-45.54	428.86	9.03	-36.51
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007748979	0	35	-1.0	-52.73	325.84	6.94	-45.79
CCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1C(C)(C)C	REAL300007748980	0	53	-1.0	-44.50	419.90	8.90	-35.60
CCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1CC	REAL300007748981	0	47	-1.0	-45.45	390.43	7.71	-37.74
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)C=C(Cl)C=C1C	REAL300007748982	0	37	-1.0	-40.92	314.27	7.06	-33.86
CCCN(CC(=O)[O-])S(=O)(=O)CC1=CC=C(Br)C=C1C	REAL300007748983	0	37	-1.0	-56.10	335.67	7.07	-49.03
CCCN(CC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007748984	0	35	-1.0	-45.49	322.65	6.82	-38.67
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C	REAL300007748985	0	47	-1.0	-53.59	385.88	7.80	-45.79
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007748986	0	36	-1.0	-51.41	298.80	5.05	-46.36
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1	REAL300007748987	0	46	-1.0	-44.17	404.79	9.05	-35.12
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007748988	0	38	-1.0	-52.82	321.04	4.61	-48.21
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007748989	0	38	-1.0	-50.01	313.57	4.74	-45.27
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007748990	0	41	-1.0	-52.13	342.47	5.57	-46.56
CCCN(CC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007748991	0	42	-1.0	-45.47	342.34	3.58	-41.89
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007748992	0	37	-1.0	-52.55	342.39	6.03	-46.52
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300007748993	0	38	-1.0	-50.46	315.59	5.14	-45.32
CCCCCOC1=CC=C(S(=O)(=O)N(CCC)CC(=O)[O-])C=C1C(C)C	REAL300007748994	0	56	-1.0	-43.97	450.36	9.80	-34.17
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C	REAL300007748995	0	47	-1.0	-56.88	379.53	7.28	-49.60
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(C)C	REAL300007748996	0	41	-1.0	-57.40	344.73	6.68	-50.72
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(OCCOCC)C(C(C)C)=C1	REAL300007748997	0	54	-1.0	-47.10	441.34	7.66	-39.44
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)C2	REAL300007748998	0	39	-1.0	-59.37	324.31	5.62	-53.75
CCCN(CC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007748999	0	39	-1.0	-51.19	344.22	4.79	-46.40
CCCN(CC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007749000	0	37	-1.0	-57.49	325.29	5.69	-51.80
CCCC(CNS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007749410	0	38	-1.0	-55.33	319.72	4.23	-51.10
CCCC(CNS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300007749411	0	45	-1.0	-59.20	383.11	4.43	-54.77
CCCC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300007749412	0	45	-1.0	-57.41	389.58	1.32	-56.09
CCCC(CNS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007749413	0	52	-1.0	-43.77	378.77	6.08	-37.69
CCCC(CNS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007749414	0	42	-1.0	-64.89	350.97	6.03	-58.86
CCCC(CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007749415	0	42	-1.0	-65.49	362.64	6.25	-59.24
CCCC(CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007749416	0	45	-1.0	-49.82	374.27	2.92	-46.90
CCCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300007749417	0	48	-1.0	-58.82	407.07	5.48	-53.34
CCCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300007749418	0	48	-1.0	-59.34	400.16	5.53	-53.81
CCCC(CNS(=O)(=O)C1=CN(CCC)C=N1)C(=O)[O-]	REAL300007749419	0	40	-1.0	-60.84	345.04	5.11	-55.73
CCCC(CNS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300007749420	0	48	-1.0	-49.31	400.09	1.70	-47.61
CCCC(CNS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007749421	0	50	-1.0	-47.27	397.93	5.74	-41.53
CCCC(CNS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007749422	0	41	-1.0	-47.56	365.34	4.68	-42.88
CCCC(CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007749423	0	42	-1.0	-49.99	355.15	2.12	-47.87
CCCC(CNS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300007749424	0	38	-1.0	-44.80	342.40	4.33	-40.47
CCCC(CNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007749425	0	38	-1.0	-53.39	334.40	4.53	-48.86
CCCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300007749426	0	40	-1.0	-49.59	348.33	5.08	-44.51
CCCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300007749427	0	40	-1.0	-41.31	344.42	6.27	-35.04
CCCC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300007749428	0	40	-1.0	-51.76	347.41	6.17	-45.59
CCCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007749429	0	40	-1.0	-51.27	352.16	5.88	-45.39
CCCC(CNS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300007749430	0	43	-1.0	-44.54	342.82	6.41	-38.13
CCCC(CNS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007749431	0	46	-1.0	-59.93	371.40	1.34	-58.59
CCCC(CNS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300007749432	0	41	-1.0	-56.05	349.09	4.59	-51.46
CCCC(CNS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300007749433	0	41	-1.0	-46.13	351.36	2.02	-44.11
CCCC(CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007749434	0	41	-1.0	-48.88	356.00	4.94	-43.94
CCCC(CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007749435	0	42	-1.0	-51.27	370.59	6.55	-44.72
CCCC(CNS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007749436	0	39	-1.0	-55.21	338.92	4.73	-50.48
CCCC(CNS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007749437	0	37	-1.0	-45.08	336.68	5.72	-39.36
CCCC(CNS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007749438	0	37	-1.0	-50.43	337.66	5.65	-44.78
CCCC(CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007749439	0	41	-1.0	-65.12	361.74	2.24	-62.88
CCCC(CNS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300007749440	0	37	-1.0	-43.66	334.32	5.68	-37.98
CCCC(CNS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007749441	0	37	-1.0	-50.02	326.24	5.65	-44.37
CCCC(CNS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300007749442	0	41	-1.0	-48.85	343.45	4.50	-44.35
CCCC(CNS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300007749443	0	38	-1.0	-51.63	347.64	4.34	-47.29
CCCC(CNS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300007749444	0	42	-1.0	-55.14	358.83	4.04	-51.10
CCCC(CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007749445	0	37	-1.0	-52.18	335.56	3.46	-48.72
CCCC(CNS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007749446	0	37	-1.0	-50.45	329.53	3.29	-47.16
CCCC(CNS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007749447	0	45	-1.0	-49.30	374.58	5.63	-43.67
CCCC(CNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007749448	0	37	-1.0	-47.58	325.59	3.39	-44.19
CCCC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC)C(=O)[O-]	REAL300007749449	0	45	-1.0	-48.77	352.12	2.48	-46.29
CCCC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300007749450	0	46	-1.0	-55.35	400.77	3.60	-51.75
CCCC(CNS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007749451	0	38	-1.0	-51.39	321.44	4.58	-46.81
CCCC(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007749452	0	42	-1.0	-57.93	376.68	1.14	-56.79
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCC(CCC)C(=O)[O-])C=C1	REAL300007749453	0	48	-1.0	-52.64	416.25	2.17	-50.47
CCCC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007749454	0	45	-1.0	-58.68	366.59	4.73	-53.95
CCCC(CNS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300007749455	0	45	-1.0	-54.17	393.23	2.01	-52.16
CCCC(CNS(=O)(=O)CC1=CC=C(CC)C=C1)C(=O)[O-]	REAL300007749456	0	43	-1.0	-59.38	364.36	6.52	-52.86
CCCC(CNS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007749457	0	37	-1.0	-57.34	333.20	4.96	-52.38
CCCC(CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007749458	0	49	-1.0	-53.73	406.56	4.78	-48.95
CCCC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007749459	0	46	-1.0	-49.50	366.05	3.20	-46.30
CCCC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300007749460	0	43	-1.0	-60.66	374.97	2.76	-57.90
CCCC(CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300007749461	0	44	-1.0	-66.54	378.93	1.71	-64.83
CCCC(CNS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007749462	0	43	-1.0	-46.98	353.80	6.31	-40.67
CCCC(CNS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300007749463	0	41	-1.0	-53.52	369.49	5.26	-48.26
CCCC(CNS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007749464	0	48	-1.0	-53.67	400.98	7.40	-46.27
CCCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007749465	0	38	-1.0	-53.34	344.71	4.98	-48.36
CCCC(CNS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300007749466	0	41	-1.0	-49.97	367.07	4.94	-45.03
CCCC(CNS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300007749467	0	43	-1.0	-53.32	343.93	2.57	-50.75
CCCC(CNS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007749468	0	48	-1.0	-49.50	410.10	6.33	-43.17
CCCC(CNS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300007749469	0	41	-1.0	-55.05	352.78	5.35	-49.70
CCCC(CNS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007749470	0	46	-1.0	-50.73	387.83	5.91	-44.82
CCCC(CNS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300007749471	0	41	-1.0	-52.95	355.47	-0.86	-53.81
CCCC(CNS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007749472	0	40	-1.0	-53.21	351.49	5.63	-47.58
CCCC(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007749473	0	37	-1.0	-46.94	352.75	6.32	-40.62
CCCC(CNS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007749474	0	40	-1.0	-51.43	356.64	7.08	-44.35
CCCC(CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007749475	0	37	-1.0	-55.08	340.48	5.76	-49.32
CCCC(CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007749476	0	40	-1.0	-59.81	355.42	7.23	-52.58
CCCC(CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007749477	0	40	-1.0	-49.01	358.13	6.17	-42.84
CCCC(CNS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007749478	0	45	-1.0	-59.40	378.87	5.70	-53.70
CCCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007749479	0	48	-1.0	-56.42	399.69	7.72	-48.70
CCCC(CNS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007749480	0	47	-1.0	-55.16	403.66	5.91	-49.25
CCCC(CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007749481	0	45	-1.0	-54.20	397.12	1.44	-52.76
CCCC(CNS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300007749482	0	43	-1.0	-54.72	368.78	7.35	-47.37
CCCC(CNS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300007749483	0	45	-1.0	-52.09	367.41	4.99	-47.10
CCCC(CNS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007749484	0	40	-1.0	-55.52	354.25	6.28	-49.24
CCCC(CNS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007749485	0	39	-1.0	-50.72	324.45	1.34	-49.38
CCCC(CNS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007749486	0	47	-1.0	-47.54	381.86	4.83	-42.71
CCCC(CNS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300007749487	0	41	-1.0	-51.92	353.85	4.98	-46.94
CCCC(CNS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007749488	0	43	-1.0	-57.97	381.57	2.60	-55.37
CCCC(CNS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300007749489	0	38	-1.0	-50.77	348.01	5.81	-44.96
CCCC(CNS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300007749490	0	46	-1.0	-49.10	365.43	4.88	-44.22
CCCC(CNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007749491	0	42	-1.0	-48.67	368.27	2.94	-45.73
CCCC(CNS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300007749492	0	41	-1.0	-45.12	352.84	2.12	-43.00
CCCC(CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007749493	0	45	-1.0	-50.61	393.65	4.21	-46.40
CCCC(CNS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007749494	0	39	-1.0	-48.38	335.95	3.53	-44.85
CCCC(CNS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300007749495	0	52	-1.0	-44.92	390.84	9.12	-35.80
CCCC(CNS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007749496	0	41	-1.0	-53.93	342.90	4.41	-49.52
CCCC(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007749497	0	40	-1.0	-47.01	365.73	2.47	-44.54
CCCC(CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007749498	0	43	-1.0	-48.21	358.32	8.12	-40.09
CCCC(CNS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300007749499	0	41	-1.0	-53.50	346.93	4.61	-48.89
CCCC(CNS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007749500	0	46	-1.0	-47.29	346.95	5.88	-41.41
CCCC(CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007749501	0	43	-1.0	-48.66	359.16	5.80	-42.86
CCCC(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007749503	0	42	-1.0	-46.73	361.07	5.66	-41.07
CCCC(CNS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300007749504	0	41	-1.0	-44.26	363.40	4.63	-39.63
CCCC(CNS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300007749505	0	40	-1.0	-52.14	347.60	5.79	-46.35
CCCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007749507	0	34	-1.0	-51.18	330.29	4.56	-46.62
CCCC(CNS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007749508	0	47	-1.0	-56.90	381.55	7.63	-49.27
CCCC(CNS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007749509	0	45	-1.0	-57.89	374.68	5.06	-52.83
CCCC(CNS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007749510	0	43	-1.0	-64.85	353.94	1.52	-63.33
CCCC(CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007749511	0	37	-1.0	-52.99	333.89	4.82	-48.17
CCCC(CNS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007749512	0	39	-1.0	-58.06	346.50	3.59	-54.47
CCCC(CNS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007749513	0	44	-1.0	-58.92	342.39	5.82	-53.10
CCCC(CNS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300007749514	0	46	-1.0	-55.31	381.65	6.06	-49.25
CCCC(CNS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007749515	0	47	-1.0	-44.90	349.05	6.41	-38.49
CCCC(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007749516	0	45	-1.0	-62.03	370.36	1.49	-60.54
CCCC(CNS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007749517	0	43	-1.0	-48.79	350.17	5.52	-43.27
CCCC(CNS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300007749518	0	41	-1.0	-46.84	342.28	6.53	-40.31
CCCC(CNS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007749519	0	42	-1.0	-56.27	360.13	6.18	-50.09
CCCC(CNS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007749520	0	34	-1.0	-43.34	308.34	4.92	-38.42
CCCC(CNS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007749521	0	34	-1.0	-43.28	312.90	5.02	-38.26
CCCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007749522	0	36	-1.0	-43.20	319.85	5.07	-38.13
CCCC(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007749523	0	40	-1.0	-55.69	343.67	6.64	-49.05
CCCC(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007749524	0	36	-1.0	-55.68	325.94	5.04	-50.64
CCCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300007749525	0	39	-1.0	-57.34	340.69	5.95	-51.39
CCCC(CNS(=O)(=O)C1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007749526	0	38	-1.0	-46.37	321.10	3.70	-42.67
CCCC(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007749527	0	36	-1.0	-57.87	308.31	5.90	-51.97
CCCC(CNS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300007749528	0	41	-1.0	-57.56	361.39	5.74	-51.82
CCCC(CNS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007749529	0	41	-1.0	-46.04	342.97	4.62	-41.42
CCCC(CNS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300007749530	0	46	-1.0	-51.18	353.38	6.91	-44.27
CCCC(CNS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300007749531	0	43	-1.0	-50.82	340.90	6.51	-44.31
CCCC(CNS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300007749532	0	49	-1.0	-53.41	383.76	7.58	-45.83
CCCC(CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007749533	0	37	-1.0	-53.74	336.80	5.37	-48.37
CCCC(CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007749534	0	37	-1.0	-49.76	312.22	5.84	-43.92
CCCC(CNS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007749535	0	34	-1.0	-53.46	314.47	4.87	-48.59
CCCC(CNS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300007749536	0	39	-1.0	-52.14	338.36	4.79	-47.35
CCCC(CNS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007749537	0	40	-1.0	-57.69	353.24	5.11	-52.58
CCCC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007749538	0	46	-1.0	-48.34	373.32	6.70	-41.64
CCCC(CNS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300007749539	0	43	-1.0	-45.65	351.86	6.33	-39.32
CCCC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007749540	0	45	-1.0	-50.05	387.94	2.36	-47.69
CCCC1=CC=C(S(=O)(=O)NCC(CCC)C(=O)[O-])C=C1	REAL300007749541	0	43	-1.0	-45.58	356.01	6.62	-38.96
CCCC(CNS(=O)(=O)C1=CC=CC=C1OC)C(=O)[O-]	REAL300007749542	0	38	-1.0	-49.52	312.16	4.22	-45.30
CCCC(CNS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300007749543	0	38	-1.0	-53.88	347.63	4.33	-49.55
CCCC(CNS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300007749544	0	37	-1.0	-49.29	332.31	5.53	-43.76
CCCC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300007749545	0	48	-1.0	-45.99	403.01	8.00	-37.99
CCCC(CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007749546	0	38	-1.0	-42.69	337.59	4.19	-38.50
CCCC(CNS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300007749547	0	49	-1.0	-54.37	371.58	7.39	-46.98
CCCC(CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007749548	0	43	-1.0	-55.25	360.55	4.30	-50.95
CCCC(CNS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300007749549	0	50	-1.0	-56.71	389.54	6.49	-50.22
CCCC(CNS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007749550	0	39	-1.0	-55.64	341.94	5.56	-50.08
CCCC(CNS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300007749551	0	38	-1.0	-54.81	334.61	4.79	-50.02
CCCC(CNS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300007749552	0	52	-1.0	-50.70	395.12	8.15	-42.55
CCCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007749553	0	37	-1.0	-45.96	335.86	5.37	-40.59
CCCC(CNS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007749554	0	44	-1.0	-52.59	355.52	6.83	-45.76
CCCC(CNS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300007749555	0	42	-1.0	-57.88	342.78	3.45	-54.43
CCCC(CNS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300007749556	0	42	-1.0	-55.17	356.45	3.57	-51.60
CCCC(CNS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300007749557	0	41	-1.0	-46.72	337.12	6.31	-40.41
CCCC(CNS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007749558	0	42	-1.0	-54.82	352.19	6.77	-48.05
CCCC(CNS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007749559	0	39	-1.0	-46.16	327.52	4.26	-41.90
CCCC(CNS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300007749560	0	49	-1.0	-45.46	395.07	7.91	-37.55
CCCC(CNS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300007749561	0	48	-1.0	-52.33	395.24	5.39	-46.94
CCCC(CNS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007749562	0	39	-1.0	-53.87	351.29	-0.66	-54.53
CCCC(CNS(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007749563	0	42	-1.0	-49.04	355.43	6.23	-42.81
CCCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300007749564	0	42	-1.0	-44.82	357.02	6.47	-38.35
CCCC(CNS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300007749565	0	42	-1.0	-61.47	346.37	6.10	-55.37
CCCC(CNS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007749566	0	40	-1.0	-55.96	337.74	5.21	-50.75
CCCC(CNS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300007749567	0	38	-1.0	-48.58	334.37	4.72	-43.86
CCCC(CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007749568	0	39	-1.0	-57.27	347.04	-0.71	-57.98
CCCC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007749569	0	46	-1.0	-59.55	406.74	2.20	-57.35
CCCC(CNS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007749570	0	42	-1.0	-54.73	360.60	5.92	-48.81
CCCC(CNS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007749571	0	43	-1.0	-51.25	345.44	5.49	-45.76
CCCC(CNS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300007749572	0	42	-1.0	-55.95	353.98	5.66	-50.29
CCCC(CNS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007749573	0	42	-1.0	-59.10	349.34	7.06	-52.04
CCCC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007749574	0	45	-1.0	-56.11	387.55	2.38	-53.73
CCCC(CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007749575	0	46	-1.0	-61.20	378.74	3.68	-57.52
CCCC(CNS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007749576	0	40	-1.0	-61.79	358.42	1.89	-59.90
CCCC(CNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007749577	0	44	-1.0	-53.33	348.33	7.44	-45.89
CCCC(CNS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300007749578	0	45	-1.0	-53.67	346.87	4.64	-49.03
CCCC(CNS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007749579	0	40	-1.0	-58.38	338.73	6.72	-51.66
CCCC(CNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007749580	0	44	-1.0	-55.23	371.91	7.78	-47.45
CCCC(CNS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300007749581	0	37	-1.0	-54.23	319.66	5.24	-48.99
CCCC(CNS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007749582	0	48	-1.0	-53.39	387.24	6.56	-46.83
CCCC(CNS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007749583	0	35	-1.0	-49.93	309.95	2.79	-47.14
CCCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007749584	0	38	-1.0	-54.96	330.05	4.69	-50.27
CCCC(CNS(=O)(=O)C1=CC=CC(OC)=C1)C(=O)[O-]	REAL300007749585	0	38	-1.0	-56.15	327.22	3.66	-52.49
CCCC(CNS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300007749586	0	49	-1.0	-45.57	382.05	7.19	-38.38
CCCC(CNS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300007749587	0	37	-1.0	-53.65	333.19	5.47	-48.18
CCCC(CNS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300007749588	0	44	-1.0	-48.82	366.39	5.23	-43.59
CCCC(CNS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007749589	0	37	-1.0	-45.12	332.11	5.61	-39.51
CCCC(CNS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007749590	0	35	-1.0	-49.35	302.41	3.10	-46.25
CCCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007749591	0	39	-1.0	-51.93	347.48	6.88	-45.05
CCCC(CNS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007749592	0	39	-1.0	-61.89	325.01	5.46	-56.43
CCCC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007749593	0	45	-1.0	-52.76	398.30	7.73	-45.03
CCCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300007749594	0	40	-1.0	-45.04	340.34	4.90	-40.14
CCCC(CNS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300007749595	0	38	-1.0	-54.35	333.44	3.74	-50.61
CCCC(CNS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300007749596	0	37	-1.0	-51.54	319.53	5.05	-46.49
CCCC(CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007749597	0	45	-1.0	-53.54	403.13	7.73	-45.81
CCCC(CNS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300007749598	0	49	-1.0	-53.93	415.88	6.50	-47.43
CCCC(CNS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300007749599	0	61	-1.0	-45.88	449.23	10.26	-35.62
CCCC(CNS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300007749600	0	50	-1.0	-56.34	406.84	7.63	-48.71
CCCC(CNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007749601	0	37	-1.0	-47.01	352.79	6.05	-40.96
CCCC(CNS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300007749602	0	44	-1.0	-56.95	367.05	6.07	-50.88
CCCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007749603	0	39	-1.0	-44.74	340.03	5.94	-38.80
CCCC(CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007749604	0	39	-1.0	-53.64	335.80	5.68	-47.96
CCCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300007749605	0	42	-1.0	-57.33	357.64	6.82	-50.51
CCCC(CNS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300007749606	0	46	-1.0	-45.51	372.83	7.08	-38.43
CCCC(CNS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300007749607	0	44	-1.0	-46.01	368.18	4.91	-41.10
CCCC(CNS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300007749608	0	46	-1.0	-44.38	365.32	1.58	-42.80
CCCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007749609	0	37	-1.0	-51.41	325.07	5.67	-45.74
CCCC(CNS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300007749610	0	44	-1.0	-46.44	365.18	5.29	-41.15
CCCC(CNS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300007749611	0	50	-1.0	-47.90	409.04	6.71	-41.19
CCCC(CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007749612	0	48	-1.0	-53.59	392.36	6.58	-47.01
CCCC(CNS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300007749613	0	47	-1.0	-47.99	390.08	6.10	-41.89
CCCOC1=CC=C(S(=O)(=O)NCC(CCC)C(=O)[O-])C=C1	REAL300007749614	0	44	-1.0	-45.14	364.49	5.42	-39.72
CCCC(CNS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300007749615	0	38	-1.0	-53.89	343.24	4.22	-49.67
CCCC(CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007749616	0	38	-1.0	-51.23	348.09	4.47	-46.76
CCCC(CNS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300007749617	0	41	-1.0	-52.12	342.37	4.38	-47.74
CCCC(CNS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300007749618	0	47	-1.0	-54.16	387.07	5.96	-48.20
CCCC(CNS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300007749619	0	41	-1.0	-44.94	335.15	4.58	-40.36
CCCC(CNS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300007749620	0	45	-1.0	-47.88	376.61	3.90	-43.98
CCCC(CNS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300007749621	0	37	-1.0	-52.38	326.18	5.12	-47.26
CCCC(CNS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007749622	0	37	-1.0	-44.88	333.09	5.89	-38.99
CCCC(CNS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300007749623	0	42	-1.0	-62.17	348.90	7.12	-55.05
CCCC(CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300007749624	0	43	-1.0	-60.77	368.25	2.78	-57.99
CCCC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007749625	0	46	-1.0	-56.73	406.72	2.21	-54.52
CCCC(CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C=C1)C(=O)[O-]	REAL300007749626	0	42	-1.0	-53.29	373.72	0.55	-52.74
CCCC(CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC)C(=O)[O-]	REAL300007749627	0	42	-1.0	-46.79	330.74	1.77	-45.02
CCCC(CNS(=O)(=O)C1=C(C)N=C(C)S1)C(=O)[O-]	REAL300007749628	0	36	-1.0	-50.83	318.04	2.90	-47.93
CCCC(CNS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007749629	0	37	-1.0	-52.33	318.78	5.22	-47.11
CCCC(CNS(=O)(=O)C1=CC=C(F)C(OC)=C1)C(=O)[O-]	REAL300007749630	0	38	-1.0	-49.70	328.54	3.71	-45.99
CCCC(CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007749631	0	44	-1.0	-54.19	367.01	7.75	-46.44
CCCC(CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007749632	0	37	-1.0	-43.80	348.86	6.10	-37.70
CCCC(CNS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300007749633	0	40	-1.0	-52.30	372.25	4.90	-47.40
CCCC(CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007749634	0	54	-1.0	-45.76	426.20	8.02	-37.74
CCCC(CNS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300007749635	0	42	-1.0	-54.57	345.16	6.17	-48.40
CCCC(CNS(=O)(=O)C1=CN(C)C(C(=O)NC)=C1)C(=O)[O-]	REAL300007749636	0	42	-1.0	-54.54	356.69	1.99	-52.55
CCCC(CNS(=O)(=O)C1=C(C)C=C(OC)C=C1C)C(=O)[O-]	REAL300007749637	0	44	-1.0	-50.92	348.35	5.13	-45.79
CCCC(CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007749638	0	45	-1.0	-48.08	375.82	8.52	-39.56
CCCC(CNS(=O)(=O)C1=CC(C)=C(OC)C=C1C)C(=O)[O-]	REAL300007749639	0	44	-1.0	-54.44	362.81	5.19	-49.25
CCCC(CNS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300007749640	0	42	-1.0	-52.15	338.75	5.52	-46.63
CCCC(CNS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007749641	0	39	-1.0	-56.25	329.13	4.90	-51.35
CCCC(CNS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007749642	0	47	-1.0	-50.05	391.42	8.24	-41.81
CCCC(CNS(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300007749643	0	39	-1.0	-58.33	341.56	5.27	-53.06
CCCC(CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007749644	0	41	-1.0	-47.13	362.54	5.09	-42.04
CCCC(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007749645	0	48	-1.0	-49.88	408.37	7.66	-42.22
CCCC(CNS(=O)(=O)C1=CC=CC(C(=O)CC)=C1)C(=O)[O-]	REAL300007749646	0	42	-1.0	-59.84	355.89	5.61	-54.23
CCCC(CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007749647	0	44	-1.0	-52.74	383.10	5.94	-46.80
CCCC(CNS(=O)(=O)C1=CN=C2NC=CC=C12)C(=O)[O-]	REAL300007749648	0	37	-1.0	-67.50	320.99	3.54	-63.96
CCCC(CNS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300007749649	0	56	-1.0	-44.11	425.63	7.22	-36.89
CCCC(CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007749650	0	42	-1.0	-55.83	374.20	1.00	-54.83
CCCC(CNS(=O)(=O)CC1=CC=CC(F)=C1)C(=O)[O-]	REAL300007749651	0	37	-1.0	-48.33	327.28	5.15	-43.18
CCCC(CNS(=O)(=O)C1=CC=C(OCC)C2=CC=CC=C21)C(=O)[O-]	REAL300007749652	0	47	-1.0	-56.62	388.92	7.00	-49.62
CCCC(CNS(=O)(=O)C1=CC(C)=CC=C1OCC)C(=O)[O-]	REAL300007749653	0	44	-1.0	-57.27	356.58	5.75	-51.52
CCCC(CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007749654	0	39	-1.0	-62.87	341.08	4.52	-58.35
CCCC(CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007749655	0	41	-1.0	-50.99	357.68	5.50	-45.49
CCCC(CNS(=O)(=O)C1=CC=C(OCCOCC)C=C1)C(=O)[O-]	REAL300007749656	0	48	-1.0	-47.92	398.47	4.86	-43.06
CCCCCOC1=CC=C(S(=O)(=O)NCC(CCC)C(=O)[O-])C=C1	REAL300007749657	0	50	-1.0	-44.99	407.48	6.99	-38.00
CCCC(CNS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007749658	0	44	-1.0	-49.39	352.76	7.06	-42.33
CCCC(CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007749659	0	40	-1.0	-49.59	340.00	6.21	-43.38
CCCC(CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007749660	0	38	-1.0	-45.53	353.48	5.84	-39.69
CCCC(CNS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300007749661	0	39	-1.0	-49.55	333.08	3.68	-45.87
CCCC(CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007749662	0	42	-1.0	-62.56	356.44	5.60	-56.96
CCCC(CNS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300007749663	0	40	-1.0	-66.26	341.69	0.81	-65.45
CCCC(CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007749664	0	39	-1.0	-56.22	341.07	4.52	-51.70
CCCC(CNS(=O)(=O)C1=CC=C(OCC)C=C1C)C(=O)[O-]	REAL300007749665	0	44	-1.0	-44.86	357.53	5.51	-39.35
CCCC(CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC)=C1)C(=O)[O-]	REAL300007749666	0	42	-1.0	-56.57	369.43	0.50	-56.07
CCCC(CNS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007749667	0	38	-1.0	-49.29	321.88	4.50	-44.79
CCCC(CNS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300007749668	0	38	-1.0	-48.78	337.29	5.40	-43.38
CCCC(CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007749669	0	40	-1.0	-45.44	354.44	6.12	-39.32
CCCC(CNS(=O)(=O)N(CC)CC1=CC=CC=C1)C(=O)[O-]	REAL300007749670	0	45	-1.0	-48.33	367.02	6.15	-42.18
CCCC(CNS(=O)(=O)C1=CN(CC)C(C)=N1)C(=O)[O-]	REAL300007749671	0	40	-1.0	-57.78	342.65	4.16	-53.62
CCCC(CNS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007749672	0	40	-1.0	-56.12	327.24	3.89	-52.23
CCCC(CNS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007749673	0	39	-1.0	-53.29	328.94	4.81	-48.48
CCCC(CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007749674	0	46	-1.0	-56.71	391.44	6.35	-50.36
CCCC(CNS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300007749675	0	40	-1.0	-51.45	347.22	5.86	-45.59
CCCC(CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007749676	0	40	-1.0	-48.20	369.94	5.12	-43.08
CCCC(CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007749677	0	43	-1.0	-53.56	357.61	5.94	-47.62
CCCC(CNS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300007749678	0	42	-1.0	-51.21	363.43	4.11	-47.10
CCCC(CNS(=O)(=O)CC1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007749679	0	41	-1.0	-57.46	361.46	4.94	-52.52
CCCC(CNS(=O)(=O)C1=CC=CC(COC)=C1)C(=O)[O-]	REAL300007749680	0	41	-1.0	-56.39	352.78	4.09	-52.30
CCCC(CNS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007749681	0	45	-1.0	-51.07	362.82	5.66	-45.41
CCCC(CNS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007749682	0	37	-1.0	-50.72	334.45	5.52	-45.20
CCCC(CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007749683	0	46	-1.0	-65.37	389.40	2.84	-62.53
CCCC(CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007749684	0	41	-1.0	-56.01	362.55	4.85	-51.16
CCCC(CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007749685	0	42	-1.0	-59.47	359.54	5.00	-54.47
CCCC(CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007749686	0	37	-1.0	-49.97	347.78	5.98	-43.99
CCCC(CNS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007749687	0	42	-1.0	-46.53	348.65	5.01	-41.52
CCCC(CNS(=O)(=O)C1=C(CC)C=CC=C1CC)C(=O)[O-]	REAL300007749688	0	46	-1.0	-44.55	348.43	7.54	-37.01
CCCC(CNS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300007749689	0	46	-1.0	-49.59	385.04	3.38	-46.21
CCCC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007749690	0	45	-1.0	-49.77	402.51	7.73	-42.04
CCCC(CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007749691	0	40	-1.0	-54.44	363.54	5.05	-49.39
CCCC(CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007749692	0	40	-1.0	-48.05	380.26	5.57	-42.48
CCCC(CNS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300007749693	0	43	-1.0	-51.52	368.02	3.46	-48.06
CCCC(CNS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007749694	0	37	-1.0	-55.61	336.63	3.32	-52.29
CCCC(CNS(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300007749695	0	37	-1.0	-55.82	327.48	4.75	-51.07
CCCC(CNS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007749696	0	37	-1.0	-47.82	317.65	3.06	-44.76
CCCC(CNS(=O)(=O)C1=CC=C(OC)N=C1)C(=O)[O-]	REAL300007749697	0	37	-1.0	-44.38	318.78	1.08	-43.30
CCCC(CNS(=O)(=O)C1=CN=C2CCCN12)C(=O)[O-]	REAL300007749698	0	38	-1.0	-53.91	319.08	3.56	-50.35
CCCC(CNS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007749699	0	42	-1.0	-54.84	351.42	4.99	-49.85
CCCC(CNS(=O)(=O)C1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007749700	0	41	-1.0	-55.29	331.85	5.90	-49.39
CCCC(CNS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300007749701	0	44	-1.0	-52.47	379.08	6.17	-46.30
CCCC(CNS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007749702	0	42	-1.0	-50.51	366.58	5.45	-45.06
CCCC(CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300007749703	0	39	-1.0	-50.85	341.95	5.54	-45.31
CCCC(CNS(=O)(=O)C1=CN(C2=CC=CC=C2OC)N=C1)C(=O)[O-]	REAL300007749704	0	45	-1.0	-54.26	384.85	5.14	-49.12
CCCC(CNS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007749705	0	36	-1.0	-49.46	329.11	3.86	-45.60
CCCC(CNS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007749706	0	42	-1.0	-47.79	343.12	4.80	-42.99
CCCC(CNS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300007749707	0	43	-1.0	-53.01	360.10	7.27	-45.74
CCCC(CNS(=O)(=O)C1=C(OC)C=CS1)C(=O)[O-]	REAL300007749708	0	35	-1.0	-52.59	317.42	3.42	-49.17
CCCC(CNS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007749709	0	42	-1.0	-55.93	349.25	4.76	-51.17
CCCC(CNS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300007749710	0	39	-1.0	-50.45	321.29	4.26	-46.19
CCCC(CNS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007749711	0	39	-1.0	-60.06	339.91	4.40	-55.66
CCCC(CNS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300007749712	0	39	-1.0	-49.63	327.41	4.24	-45.39
CCCC(CNS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007749713	0	40	-1.0	-48.01	359.11	6.39	-41.62
CCCC(CNS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007749714	0	46	-1.0	-53.38	367.02	4.89	-48.49
CCCC(CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007749715	0	36	-1.0	-45.63	331.85	3.61	-42.02
CCCC(CNS(=O)(=O)C1=C(OC)C=CC=C1OC)C(=O)[O-]	REAL300007749716	0	42	-1.0	-53.58	345.61	4.91	-48.67
CCCC(CNS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007749717	0	42	-1.0	-47.59	350.61	6.46	-41.13
CCCC(CNS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300007749718	0	42	-1.0	-63.39	353.89	7.34	-56.05
CCCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300007749719	0	42	-1.0	-55.47	351.53	6.43	-49.04
CCCC(CNS(=O)(=O)CCC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007749720	0	44	-1.0	-49.83	371.87	5.17	-44.66
CCCC(CNS(=O)(=O)C1=CN=CC(OC)=C1)C(=O)[O-]	REAL300007749721	0	37	-1.0	-53.45	322.29	1.83	-51.62
CCCC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007749722	0	43	-1.0	-51.91	365.79	5.99	-45.92
CCCC(CNS(=O)(=O)C1=CC=C(C2CC2)C=C1)C(=O)[O-]	REAL300007749723	0	41	-1.0	-54.29	346.94	6.47	-47.82
CCCC(CNS(=O)(=O)C1=CC(OC)=CC(OC)=C1)C(=O)[O-]	REAL300007749724	0	42	-1.0	-51.13	356.10	2.99	-48.14
CCCC(CNS(=O)(=O)CCC1CCCCC1)C(=O)[O-]	REAL300007749725	0	46	-1.0	-47.30	363.15	6.04	-41.26
CCCC(CNS(=O)(=O)CCC1=CC=C(C)C=C1)C(=O)[O-]	REAL300007749726	0	43	-1.0	-45.72	358.29	6.57	-39.15
CCCC(CNS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300007749727	0	40	-1.0	-43.03	332.10	3.95	-39.08
CCCC(CNS(=O)(=O)C1=C2OC=CC2=CC=C1)C(=O)[O-]	REAL300007749728	0	37	-1.0	-53.03	319.21	4.57	-48.46
CCCC(CNS(=O)(=O)C1=CC=C(Cl)C(OC)=C1)C(=O)[O-]	REAL300007749729	0	38	-1.0	-51.82	343.26	4.22	-47.60
CCCC(CNS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300007749730	0	40	-1.0	-57.85	345.39	5.72	-52.13
CCCC(CNS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007749731	0	42	-1.0	-61.96	341.21	5.86	-56.10
CCCC(CNS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300007749732	0	39	-1.0	-48.72	335.25	2.06	-46.66
CCCC(CNS(=O)(=O)C1=CC=C(CC)C(CC)=C1)C(=O)[O-]	REAL300007749733	0	46	-1.0	-52.32	369.87	6.90	-45.42
CCCC(CNS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007749734	0	42	-1.0	-48.71	348.63	6.38	-42.33
CCCC(CNS(=O)(=O)C1=C(C)C=C(C)C=C1OC)C(=O)[O-]	REAL300007749735	0	44	-1.0	-50.65	350.57	5.95	-44.70
CCCC(CNS(=O)(=O)C1=CC(C)=C(C)S1)C(=O)[O-]	REAL300007749736	0	37	-1.0	-48.16	330.07	4.77	-43.39
CCCC(CNS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007749737	0	35	-1.0	-50.76	319.92	2.25	-48.51
CCCC(CNS(=O)(=O)C1=CN=C(CC)S1)C(=O)[O-]	REAL300007749738	0	36	-1.0	-50.40	322.81	2.92	-47.48
CCCC(CNS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007749739	0	41	-1.0	-47.01	340.12	4.19	-42.82
CCCC(CNS(=O)(=O)C1=C(C)C=C(C)S1)C(=O)[O-]	REAL300007749740	0	37	-1.0	-52.54	322.41	4.96	-47.58
CCCC(CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007749741	0	40	-1.0	-48.98	319.42	5.47	-43.51
CCCC(CNS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007749742	0	37	-1.0	-48.03	311.94	2.95	-45.08
CCCC(CNS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300007749743	0	40	-1.0	-43.90	338.62	5.74	-38.16
CCCC(CNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007749744	0	41	-1.0	-57.45	348.80	4.10	-53.35
CCCC(CNS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007749745	0	47	-1.0	-49.79	397.90	5.93	-43.86
CCCC(CNS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007749746	0	38	-1.0	-62.88	336.12	4.42	-58.46
CCCC(CNS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007749747	0	36	-1.0	-54.26	321.45	4.14	-50.12
CCCC(CNS(=O)(=O)CC1=CSC(C)=N1)C(=O)[O-]	REAL300007749748	0	36	-1.0	-50.32	327.45	2.77	-47.55
CCCC(CNS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007749749	0	37	-1.0	-58.55	338.21	5.60	-52.95
CCCC(CNS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300007749750	0	37	-1.0	-49.38	328.28	5.44	-43.94
CCCC(CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007749751	0	40	-1.0	-50.29	339.72	5.39	-44.90
CCCC(CNS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300007749752	0	43	-1.0	-46.25	377.86	5.87	-40.38
CCCC(CNS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007749753	0	42	-1.0	-57.98	336.16	5.52	-52.46
CCCC(CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007749754	0	41	-1.0	-54.27	362.23	2.24	-52.03
CCCC(CNS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007749755	0	43	-1.0	-54.71	354.56	4.70	-50.01
CCCC(CNS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007749756	0	37	-1.0	-48.36	340.74	5.60	-42.76
CCCCCCCCOC1=CC=C(S(=O)(=O)NCC(CCC)C(=O)[O-])C=C1	REAL300007749757	0	59	-1.0	-44.98	471.98	9.33	-35.65
CCCC(CNS(=O)(=O)C1=CC=CC(OC(C)CC)=C1)C(=O)[O-]	REAL300007749758	0	47	-1.0	-53.40	382.83	6.00	-47.40
CCCC(CNS(=O)(=O)CC(OC)C1CCCC1)C(=O)[O-]	REAL300007749759	0	47	-1.0	-45.48	365.93	4.85	-40.63
CCCC(CNS(=O)(=O)CC(OC)C1CCCCC1)C(=O)[O-]	REAL300007749760	0	50	-1.0	-49.30	388.81	5.40	-43.90
CCCC(CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007749761	0	48	-1.0	-55.17	415.20	7.72	-47.45
CCCC(CNS(=O)(=O)CC(OCC)C1CC1)C(=O)[O-]	REAL300007749762	0	44	-1.0	-59.44	361.80	4.67	-54.77
CCCOC1=CC=C(S(=O)(=O)NCC(CCC)C(=O)[O-])C=C1C(C)C	REAL300007749763	0	53	-1.0	-51.32	424.27	7.39	-43.93
CCCC(CNS(=O)(=O)C1=CN(CC2CC2)C(CC)=N1)C(=O)[O-]	REAL300007749764	0	47	-1.0	-54.12	383.70	6.33	-47.79
CCCC(CNS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007749765	0	37	-1.0	-52.98	337.46	3.87	-49.11
CCCC(CNS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007749766	0	42	-1.0	-50.87	355.96	6.81	-44.06
CCCC(CNS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007749767	0	41	-1.0	-49.14	339.37	4.22	-44.92
CCCC(CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007749768	0	47	-1.0	-48.54	398.08	6.70	-41.84
CCCC(CNS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007749769	0	37	-1.0	-48.55	339.34	2.98	-45.57
CCCC(CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007749770	0	45	-1.0	-53.39	393.43	8.44	-44.95
CCCC(CNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007749771	0	44	-1.0	-52.04	357.57	7.79	-44.25
CCCC(CNS(=O)(=O)C1=CC(CC)=C(OC)C=C1C)C(=O)[O-]	REAL300007749772	0	47	-1.0	-52.72	378.69	6.03	-46.69
CCCC(CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007749773	0	40	-1.0	-42.85	362.84	6.27	-36.58
CCCC(CNS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007749774	1	36	-1.0	-63.06	324.81	3.36	-59.70
CCCC(CNS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300007749775	0	43	-1.0	-57.72	348.44	7.42	-50.30
CCCC(CNS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300007749776	0	43	-1.0	-45.52	360.77	2.96	-42.56
CCCC(CNS(=O)(=O)C1=CC=CC(F)=C1OC)C(=O)[O-]	REAL300007749777	0	38	-1.0	-51.06	317.47	4.45	-46.61
CCCC(CNS(=O)(=O)C1=CC=C(OCC)C(C(C)C)=C1)C(=O)[O-]	REAL300007749778	0	50	-1.0	-51.74	402.77	6.59	-45.15
CCCC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007749779	0	46	-1.0	-50.78	371.03	6.59	-44.19
CCCC(CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007749780	0	53	-1.0	-56.36	418.42	8.86	-47.50
CCCC(CNS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007749781	0	44	-1.0	-48.81	356.08	4.41	-44.40
CCCC(CNS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007749782	0	46	-1.0	-43.66	362.06	4.66	-39.00
CCCC(CNS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007749783	0	44	-1.0	-49.24	364.51	4.73	-44.51
CCCC(CNS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007749784	0	37	-1.0	-41.75	317.84	2.97	-38.78
CCCC(CNS(=O)(=O)CC1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007749785	0	41	-1.0	-60.43	356.05	4.52	-55.91
C=CCCC1=CC=C(S(=O)(=O)NCC(CCC)C(=O)[O-])C=C1	REAL300007749786	0	44	-1.0	-45.67	368.81	7.18	-38.49
CCCC(CNS(=O)(=O)C1=CN(C)N=C1CC)C(=O)[O-]	REAL300007749787	0	40	-1.0	-46.49	330.70	3.33	-43.16
CCCCOC1=CC=C(S(=O)(=O)NCC(CCC)C(=O)[O-])C=C1C(C)C	REAL300007749788	0	56	-1.0	-51.18	445.76	8.17	-43.01
CCCC(CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007749789	0	38	-1.0	-52.29	341.44	6.04	-46.25
CCCOC1=CC=C(S(=O)(=O)NCC(CCC)C(=O)[O-])C=C1C(C)(C)C	REAL300007749790	0	56	-1.0	-53.97	441.74	8.08	-45.89
CCCOC1=CC=C(S(=O)(=O)NCC(CCC)C(=O)[O-])C=C1CC	REAL300007749791	0	50	-1.0	-53.75	412.27	6.88	-46.87
CCCC(CNS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300007749792	0	40	-1.0	-50.67	340.56	6.37	-44.30
CCCC(CNS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007749793	0	40	-1.0	-46.92	357.96	6.28	-40.64
CCCC(CNS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007749794	0	38	-1.0	-56.60	343.87	5.97	-50.63
CCCC1=CC=CC=C1S(=O)(=O)NCC(CCC)C(=O)[O-]	REAL300007749795	0	43	-1.0	-47.82	349.96	6.93	-40.89
CCCC(CNS(=O)(=O)C1=CC=CN=C1OC)C(=O)[O-]	REAL300007749796	0	37	-1.0	-51.31	315.38	1.59	-49.72
CCCC(CNS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007749797	0	50	-1.0	-49.70	406.15	7.17	-42.53
CCCC(CNS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007749798	0	39	-1.0	-59.77	333.90	4.91	-54.86
CCCC(CNS(=O)(=O)C1=C(C)SC=C1C)C(=O)[O-]	REAL300007749799	0	37	-1.0	-46.86	319.81	5.06	-41.80
CCCC(CNS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007749800	0	41	-1.0	-46.49	341.50	4.08	-42.41
CCCC(CNS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007749801	0	41	-1.0	-46.88	339.43	3.98	-42.90
CCCC(CNS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007749802	0	44	-1.0	-44.11	350.79	4.74	-39.37
CCCC(CNS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007749803	0	45	-1.0	-52.14	368.03	2.42	-49.72
CCCC(CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007749804	0	40	-1.0	-53.98	364.56	5.27	-48.71
CCCC(CNS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007749805	0	41	-1.0	-51.95	338.07	4.34	-47.61
CCCCCOC1=CC=C(S(=O)(=O)NCC(CCC)C(=O)[O-])C=C1C(C)C	REAL300007749806	0	59	-1.0	-53.61	472.18	8.98	-44.63
CCCC(CNS(=O)(=O)C1=CC(C)=C(OC)C=C1C(C)C)C(=O)[O-]	REAL300007749807	0	50	-1.0	-53.56	396.31	6.46	-47.10
CCCC(CNS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300007749808	0	44	-1.0	-55.47	359.39	5.76	-49.71
CCCC(CNS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300007749809	0	42	-1.0	-50.71	336.63	4.82	-45.89
CCCC(CNS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007749810	0	42	-1.0	-52.74	366.39	4.03	-48.71
CCCC(CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007749811	0	40	-1.0	-55.63	346.47	4.97	-50.66
CCCC(CNS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300007749812	0	39	-1.0	-56.71	332.29	4.01	-52.70
CCCC(CNS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1)C(=O)[O-]	REAL300007749813	0	43	-1.0	-46.46	335.27	4.29	-42.17
CCCC(CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007749814	0	38	-1.0	-56.72	345.70	4.61	-52.11
CCCC(CNS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300007749815	0	35	-1.0	-44.88	312.00	3.16	-41.72
CCCC(CNS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007749816	0	37	-1.0	-46.76	330.45	5.82	-40.94
CCCC(CNS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007749817	0	41	-1.0	-47.68	343.72	4.11	-43.57
CCCC(CNS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300007749818	0	43	-1.0	-49.51	340.93	6.36	-43.15
CCCC(CNS(=O)(=O)C1=CC=CC(OC)=C1OC)C(=O)[O-]	REAL300007749819	0	42	-1.0	-53.58	340.46	4.14	-49.44
CCCC(CNS(=O)(=O)C1=COC2=CC=CC=C12)C(=O)[O-]	REAL300007749820	0	37	-1.0	-53.69	315.75	4.30	-49.39
CCCC(CNS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007749821	0	47	-1.0	-51.17	370.97	4.64	-46.53
CCCC(CNS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300007749822	0	46	-1.0	-52.12	376.28	4.99	-47.13
CCCCN1C=C(S(=O)(=O)NCC(CCC)C(=O)[O-])C(C)=N1	REAL300007749823	0	46	-1.0	-48.10	380.63	5.09	-43.01
CCCC(CNS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007749824	0	41	-1.0	-56.68	341.36	3.74	-52.94
CCCC(CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007749825	0	38	-1.0	-46.95	330.87	3.98	-42.97
CCCC(CNS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007749826	0	39	-1.0	-56.12	329.96	2.82	-53.30
CCCC(CNS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300007749827	0	40	-1.0	-52.07	347.04	6.44	-45.63
CCCC(CNS(=O)(=O)N1CCCC(C)(C)C1)C(=O)[O-]	REAL300007749828	0	45	-1.0	-52.52	347.31	4.73	-47.79
CCCC(CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007749829	0	40	-1.0	-49.64	361.01	5.48	-44.16
CCCC(CNS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007749830	0	44	-1.0	-48.63	362.51	4.77	-43.86
CCCC(CNS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300007749831	0	52	-1.0	-56.36	411.88	8.38	-47.98
CCCC(CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007749832	0	40	-1.0	-50.96	364.02	6.22	-44.74
CCCC(CNS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007749833	0	44	-1.0	-52.62	371.08	5.01	-47.61
CCCC(CNS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007749834	0	38	-1.0	-54.38	324.38	5.32	-49.06
CCCC(CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007749835	0	45	-1.0	-56.09	382.62	7.15	-48.94
CCCC(CNS(=O)(=O)C1=C(OC)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007749836	0	43	-1.0	-69.93	363.15	5.58	-64.35
CCCC1=CC=CC(S(=O)(=O)NCC(CCC)C(=O)[O-])=C1	REAL300007749837	0	43	-1.0	-52.57	357.19	6.55	-46.02
CCCC(CNS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007749838	0	41	-1.0	-47.22	336.30	3.96	-43.26
CCCC(CNS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007749839	0	43	-1.0	-43.73	340.82	4.10	-39.63
CCCC(CNS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007749840	0	43	-1.0	-51.61	361.61	4.09	-47.52
CCCC(CNS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007749841	0	41	-1.0	-47.53	340.95	3.45	-44.08
CCCC(CNS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007749842	0	39	-1.0	-47.91	343.72	4.16	-43.75
CCCC(CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007749843	0	37	-1.0	-44.90	342.26	5.45	-39.45
CCCC(=O)C1=CC=CC(S(=O)(=O)NCC(CCC)C(=O)[O-])=C1	REAL300007749844	0	45	-1.0	-59.51	377.39	6.37	-53.14
CCCC(CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007749845	0	45	-1.0	-53.18	361.48	7.41	-45.77
CCCC(CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007749846	0	40	-1.0	-53.10	360.14	5.41	-47.69
CCCC(CNS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007749847	0	40	-1.0	-51.14	335.25	4.78	-46.36
CCCC(CNS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007749848	0	41	-1.0	-50.13	344.67	2.74	-47.39
CCCC(CNS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007749849	0	34	-1.0	-51.58	316.46	4.79	-46.79
CCCC(CNS(=O)(=O)C1=CC=CC(C2CC2)=C1)C(=O)[O-]	REAL300007749850	0	41	-1.0	-52.41	342.00	6.45	-45.96
CCCC(CNS(=O)(=O)C1=C(OC)SC=C1)C(=O)[O-]	REAL300007749851	0	35	-1.0	-49.90	312.93	2.89	-47.01
CCCC(CNS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007749852	0	44	-1.0	-47.77	357.67	4.85	-42.92
CCCC(CNS(=O)(=O)C1=CC=NN1C(C)CC)C(=O)[O-]	REAL300007749853	0	43	-1.0	-44.63	351.55	4.29	-40.34
CCCC(CNS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007749854	0	48	-1.0	-47.77	367.76	5.38	-42.39
CCCC(CNS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007749855	0	48	-1.0	-47.53	389.91	3.53	-44.00
CCCC(CNS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007749856	0	40	-1.0	-52.22	346.02	5.87	-46.35
CCCC(CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007749857	0	38	-1.0	-55.24	336.98	3.94	-51.30
CCCC(CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007749858	0	49	-1.0	-53.13	388.31	7.01	-46.12
CCCC(CNS(=O)(=O)C1=CC=C(OC)S1)C(=O)[O-]	REAL300007749859	0	35	-1.0	-53.64	321.50	2.81	-50.83
CCCC(CNS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007749860	0	45	-1.0	-64.65	369.16	6.71	-57.94
CCCC(CNS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007749861	0	42	-1.0	-51.53	346.42	4.33	-47.20
CCCC(CNS(=O)(=O)C1=CN(CCF)N=C1)C(=O)[O-]	REAL300007749862	0	37	-1.0	-48.51	329.78	3.08	-45.43
CCCC(CNS(=O)(=O)C1=CC=CC(COCC)=C1)C(=O)[O-]	REAL300007749863	0	44	-1.0	-56.38	374.64	5.05	-51.33
CCCC(CNS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007749864	0	44	-1.0	-49.58	372.49	5.52	-44.06
CCCC(CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007749865	0	47	-1.0	-48.90	383.50	5.33	-43.57
CCCC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007749866	0	45	-1.0	-48.22	385.80	7.22	-41.00
CCCC(CNS(=O)(=O)C1=CC=CC=C1CF)C(=O)[O-]	REAL300007749867	0	37	-1.0	-49.01	316.95	5.46	-43.55
CCCC(CNS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300007749868	0	40	-1.0	-46.90	354.81	6.13	-40.77
CCCC(CNS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300007749869	0	43	-1.0	-58.49	356.40	7.26	-51.23
CCCC(CNS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007749870	0	44	-1.0	-52.83	364.40	5.29	-47.54
CCCC(CNS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007749871	0	38	-1.0	-44.57	329.94	5.65	-38.92
CCCC(CNS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007749872	0	38	-1.0	-52.27	346.00	6.13	-46.14
CCCC(CNS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007749873	0	38	-1.0	-47.00	350.31	6.18	-40.82
CCCC(CNS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007749874	0	39	-1.0	-49.82	334.82	-1.66	-51.48
CCCC(CNS(=O)(=O)C1=CN=C2C=CC=CN12)C(=O)[O-]	REAL300007749875	0	37	-1.0	-57.06	313.79	4.44	-52.62
CCCC(CNS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300007749876	0	40	-1.0	-56.81	329.42	4.85	-51.96
CCCC(CNS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007749877	0	36	-1.0	-52.37	328.07	3.77	-48.60
CCCC(CNS(=O)(=O)CCOC1CCOC1)C(=O)[O-]	REAL300007749878	0	42	-1.0	-47.52	346.45	1.58	-45.94
CCCC(CNS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007749879	0	43	-1.0	-53.05	370.98	3.56	-49.49
CCCC(CNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007749880	0	51	-1.0	-59.54	374.72	7.25	-52.29
CCCC(CNS(=O)(=O)CC1CC(C)(C)CO1)C(=O)[O-]	REAL300007749881	0	44	-1.0	-50.91	357.28	3.86	-47.05
CCCC(CNS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300007749882	0	37	-1.0	-66.70	328.70	0.05	-66.65
CCCC(CNS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007749883	0	42	-1.0	-48.99	336.11	4.83	-44.16
CCCC(CNS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007749884	0	42	-1.0	-59.30	367.59	1.20	-58.10
CCCC(CNS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007749885	0	47	-1.0	-47.28	365.86	4.77	-42.51
CCCC(CNS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1)C(=O)[O-]	REAL300007749886	0	44	-1.0	-47.40	367.64	6.66	-40.74
CCCC(CNS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007749887	0	38	-1.0	-49.31	339.60	3.43	-45.88
CCCC(CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007749888	0	44	-1.0	-58.36	376.10	7.24	-51.12
CCCC(CNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007749889	0	43	-1.0	-63.19	351.77	1.80	-61.39
CCCC(CNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007749890	0	47	-1.0	-55.49	360.37	6.34	-49.15
CCCC(CNS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007749891	0	38	-1.0	-54.53	341.54	5.67	-48.86
CCCC(CNS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007749892	0	56	-1.0	-54.84	427.30	8.54	-46.30
CCCC(CNS(=O)(=O)C(C)=CC1=CC=C(OC)C=C1)C(=O)[O-]	REAL300007749893	0	45	-1.0	-45.90	364.10	5.26	-40.64
CCCC(CNS(=O)(=O)C1=C(OC)C(OC)=CS1)C(=O)[O-]	REAL300007749894	0	39	-1.0	-56.86	346.50	2.22	-54.64
CCCC(CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300007749895	0	46	-1.0	-54.57	358.15	4.82	-49.75
CCCC(CNS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007749896	0	45	-1.0	-46.49	371.88	6.30	-40.19
CCCC(CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007749897	0	38	-1.0	-55.13	346.44	5.16	-49.97
CCCC(CNS(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300007749898	0	38	-1.0	-47.58	329.61	3.97	-43.61
CCCC(CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007749899	0	38	-1.0	-53.29	338.29	3.99	-49.30
CCCC(CNS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007749900	0	40	-1.0	-50.39	337.22	4.28	-46.11
CCCC(CNS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300007749901	0	41	-1.0	-50.18	345.31	6.16	-44.02
CCCC(CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007749902	0	43	-1.0	-46.86	375.99	4.86	-42.00
CCCC(CNS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007749903	0	47	-1.0	-48.87	384.79	6.80	-42.07
CCCC(CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007749904	0	45	-1.0	-53.86	383.22	7.25	-46.61
CCCC(CNS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007749905	0	40	-1.0	-51.66	324.07	6.23	-45.43
CCCC(CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007749906	0	35	-1.0	-47.25	326.75	3.26	-43.99
C=C(C)COC1=CC=CC(S(=O)(=O)NCC(CCC)C(=O)[O-])=C1	REAL300007749907	0	45	-1.0	-53.93	376.44	5.97	-47.96
CCCC(CNS(=O)(=O)C1=CN(CC)N=C1C1CC1)C(=O)[O-]	REAL300007749908	0	44	-1.0	-56.51	362.88	4.61	-51.90
CCCC(CNS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300007749909	0	38	-1.0	-50.95	335.13	3.76	-47.19
CCCC(CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007749910	0	40	-1.0	-51.15	355.44	7.12	-44.03
CCCC(CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007749911	0	44	-1.0	-45.54	382.53	8.34	-37.20
CCCC(CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007749912	0	33	-1.0	-51.83	324.45	2.35	-49.48
CCCC(CNS(=O)(=O)C1=CC=C(Br)C(CC)=C1)C(=O)[O-]	REAL300007749913	0	40	-1.0	-51.62	356.77	6.23	-45.39
CCCC(CNS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007749914	0	47	-1.0	-51.36	384.48	5.55	-45.81
CCCC(CNS(=O)(=O)C1=CC(Cl)=CS1)C(=O)[O-]	REAL300007749915	0	31	-1.0	-51.66	306.52	3.88	-47.78
CCCC(CNS(=O)(=O)C1=CC(CCOC)=CC=C1OC)C(=O)[O-]	REAL300007749916	0	48	-1.0	-57.37	389.89	4.67	-52.70
CCCC(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007749917	0	40	-1.0	-54.18	340.15	6.64	-47.54
CCCC(CNS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007749918	0	42	-1.0	-48.93	346.74	2.11	-46.82
CCCC(CNS(=O)(=O)C1=CC=CC=C1C1CC1)C(=O)[O-]	REAL300007749919	0	41	-1.0	-54.27	335.71	6.58	-47.69
CCCC(CNS(=O)(=O)N1CCC(C)(C)CC1)C(=O)[O-]	REAL300007749920	0	45	-1.0	-47.58	347.65	4.35	-43.23
CCCC(CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007749921	0	49	-1.0	-49.06	399.00	4.76	-44.30
CCCC(CNS(=O)(=O)C1=CC(Cl)=CN=C1OC)C(=O)[O-]	REAL300007749922	0	37	-1.0	-53.44	332.81	2.05	-51.39
CCCC(CNS(=O)(=O)C1=CN=C(OC)C(C)=C1)C(=O)[O-]	REAL300007749923	0	40	-1.0	-49.75	340.12	1.76	-47.99
CCCC(CNS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300007749924	0	43	-1.0	-48.83	354.54	4.54	-44.29
CCCC(CNS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300007749925	0	43	-1.0	-50.51	361.05	4.09	-46.42
CCCC(CNS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007749926	0	44	-1.0	-46.45	353.59	2.17	-44.28
CCCC(CNS(=O)(=O)CC1=NOC(COC)=C1)C(=O)[O-]	REAL300007749927	0	40	-1.0	-58.57	347.14	2.22	-56.35
CCCC(CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007749928	0	39	-1.0	-56.00	350.85	6.63	-49.37
CCCC(CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007749929	0	45	-1.0	-53.89	362.45	4.93	-48.96
CCCC(CNS(=O)(=O)C1=CC=NN1C(C)C)C(=O)[O-]	REAL300007749930	0	40	-1.0	-47.62	338.82	3.64	-43.98
CCCC(CNS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007749931	0	41	-1.0	-46.87	345.92	4.55	-42.32
CCCC(CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007749932	0	41	-1.0	-47.13	346.91	5.67	-41.46
CCCC(CNS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300007749933	0	36	-1.0	-53.89	318.24	3.46	-50.43
CCCC(CNS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300007749934	0	39	-1.0	-49.88	326.76	4.78	-45.10
CCCC(CNS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300007749935	0	43	-1.0	-44.11	354.72	4.20	-39.91
CCCC(CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300007749936	0	48	-1.0	-53.66	406.53	7.93	-45.73
CCCC(CNS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007749937	0	39	-1.0	-52.81	325.46	5.06	-47.75
CCCC(CNS(=O)(=O)C1=NC=C(C)C=C1C)C(=O)[O-]	REAL300007749938	0	39	-1.0	-58.20	330.21	3.95	-54.25
CCCC(CNS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007749939	0	37	-1.0	-50.88	324.25	4.06	-46.82
CCCC(CNS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007749940	0	42	-1.0	-56.56	355.37	0.18	-56.38
CCCC(CNS(=O)(=O)N1CC2CCC(C1)O2)C(=O)[O-]	REAL300007749941	0	41	-1.0	-53.77	329.13	2.48	-51.29
CCCC(CNS(=O)(=O)N1CCC(C#N)CC1)C(=O)[O-]	REAL300007749942	0	40	-1.0	-59.44	336.02	3.85	-55.59
CCCC(CNS(=O)(=O)C1=CC(OC)=CC=N1)C(=O)[O-]	REAL300007749943	0	37	-1.0	-49.42	317.97	1.76	-47.66
CCCC(CNS(=O)(=O)C1=CC=C(OC)C=C1C(F)F)C(=O)[O-]	REAL300007749944	0	41	-1.0	-51.60	348.56	5.02	-46.58
CCCC(CNS(=O)(=O)C1=CC=C(OC)C=N1)C(=O)[O-]	REAL300007749945	0	37	-1.0	-54.14	315.46	1.91	-52.23
CCCC(CNS(=O)(=O)C1=CC(C(F)(F)F)=CN=C1OC)C(=O)[O-]	REAL300007749946	0	40	-1.0	-53.04	354.95	2.51	-50.53
CCCC(CNS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300007749947	0	39	-1.0	-52.17	329.43	4.79	-47.38
CCCC(CNS(=O)(=O)C1=NC=CC=C1OCC)C(=O)[O-]	REAL300007749948	0	40	-1.0	-61.89	335.15	3.71	-58.18
CCCC(CNS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007749949	0	42	-1.0	-64.06	347.67	6.01	-58.05
CCCC(CNS(=O)(=O)C1=CNC2=CC=CC=C12)C(=O)[O-]	REAL300007749950	0	38	-1.0	-59.29	324.28	4.00	-55.29
CCCC(CNS(=O)(=O)N1CCC(F)(F)C1)C(=O)[O-]	REAL300007749951	0	36	-1.0	-50.30	309.75	2.83	-47.47
CCCC(CNS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300007749952	0	36	-1.0	-54.42	328.11	3.35	-51.07
CCCC(CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007749953	0	41	-1.0	-56.84	363.35	5.00	-51.84
CCCC(CNS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300007749954	0	47	-1.0	-57.73	368.90	6.13	-51.60
CC(NS(=O)(=O)C1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749955	0	41	-1.0	-45.72	334.81	6.80	-38.92
CC(NS(=O)(=O)C1=CC=CC(F)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749956	0	41	-1.0	-51.63	351.55	7.03	-44.60
CC(=O)C1=CC=CC(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007749957	0	46	-1.0	-59.21	384.79	7.28	-51.93
CC(NS(=O)(=O)N(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749958	0	39	-1.0	-45.77	327.00	4.26	-41.51
CCCCN(C)S(=O)(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749959	0	48	-1.0	-46.13	390.80	6.67	-39.46
CCCCS(=O)(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749960	0	43	-1.0	-49.09	346.36	6.20	-42.89
CC(NS(=O)(=O)C1=CC=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749961	0	38	-1.0	-50.14	337.86	5.99	-44.15
CCC(C)C1=CC=C(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007749962	0	53	-1.0	-43.25	416.94	9.54	-33.71
CC1=CC=C(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300007749963	0	41	-1.0	-50.29	359.68	6.78	-43.51
CC(NS(=O)(=O)C1=CC=C(Cl)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749964	0	38	-1.0	-46.81	354.86	6.61	-40.20
COC1=CC=C(C)C=C1S(=O)(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749965	0	48	-1.0	-53.61	393.96	7.37	-46.24
CC(NS(=O)(=O)N1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749966	0	44	-1.0	-45.52	351.19	3.68	-41.84
CC1=CC(Cl)=CC=C1S(=O)(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749967	0	44	-1.0	-47.06	377.88	8.41	-38.65
CC(NS(=O)(=O)C1=CN(C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749968	0	41	-1.0	-50.13	343.53	4.61	-45.52
CCN(CC)S(=O)(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749969	0	45	-1.0	-49.64	364.65	5.90	-43.74
CC(NS(=O)(=O)N(C)C1CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749970	0	52	-1.0	-49.17	398.45	7.40	-41.77
CC1=NN(C)C(C)=C1S(=O)(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749971	0	47	-1.0	-56.23	378.61	5.94	-50.29
CC(NS(=O)(=O)C1=CC=C2OCCOC2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749972	0	47	-1.0	-62.21	393.61	6.18	-56.03
CCC1=CC=C(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007749973	0	47	-1.0	-42.83	381.15	8.39	-34.44
CC1=NNC=C1S(=O)(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749974	0	41	-1.0	-50.97	348.68	3.98	-46.99
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749975	0	46	-1.0	-59.49	372.35	9.26	-50.23
CC(NS(=O)(=O)CCC1=CC=CC(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749976	0	47	-1.0	-46.73	396.03	8.81	-37.92
CC1=CC(F)=CC(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007749977	0	44	-1.0	-48.66	372.97	7.69	-40.97
CC(NS(=O)(=O)CCC1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749978	0	44	-1.0	-46.73	367.57	7.15	-39.58
CC(NS(=O)(=O)C1=CC2=CC=CC=C2OC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749979	0	47	-1.0	-52.81	396.27	7.61	-45.20
COCC1=CC=C(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007749980	0	48	-1.0	-43.07	393.33	6.68	-36.39
CCOC1=CC=C(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007749981	0	47	-1.0	-57.28	398.16	4.64	-52.64
CC(NS(=O)(=O)CCCS(C)(=O)=O)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749982	0	46	-1.0	-61.82	388.50	2.97	-58.85
COC1=CC=C(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1C	REAL300007749983	0	51	-1.0	-46.75	399.82	7.75	-39.00
CC(NS(=O)(=O)C1=CC2=CC=CN=C2C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749984	0	46	-1.0	-57.50	382.83	7.35	-50.15
CC(NS(=O)(=O)CC1=NOC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749985	0	40	-1.0	-55.55	343.39	4.98	-50.57
CC1=C(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C=NN1C	REAL300007749986	0	44	-1.0	-49.63	367.37	5.22	-44.41
CC(NS(=O)(=O)N(C)C1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749987	0	50	-1.0	-48.44	389.48	5.01	-43.43
CC(NS(=O)(=O)N1CC2CCC1C2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749988	0	47	-1.0	-49.08	372.11	6.56	-42.52
CCN1N=C(C)C(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300007749989	0	50	-1.0	-59.10	408.23	6.89	-52.21
CC(C)N1C=C(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007749990	0	47	-1.0	-52.66	390.64	6.06	-46.60
CC(C)CN1C=NC(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007749991	0	50	-1.0	-62.51	400.96	9.01	-53.50
CC(C)N1C=NC(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007749992	0	47	-1.0	-61.96	381.69	8.43	-53.53
CC(C)C1=NC(S(=O)(=O)NC(C)C(CC2=CC=CC=C2)C(=O)[O-])=CN1	REAL300007749993	0	47	-1.0	-67.75	393.77	5.54	-62.21
CC(NS(=O)(=O)C1=CC=CC=C1C(C)(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749994	0	53	-1.0	-48.48	390.12	9.33	-39.15
CC(NS(=O)(=O)CC1CCCOC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749995	0	48	-1.0	-47.22	367.84	5.54	-41.68
CC1=C(F)C=CC=C1S(=O)(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749996	0	44	-1.0	-49.69	367.23	7.84	-41.85
CC(NS(=O)(=O)C1=CC=C(C(F)F)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749997	0	44	-1.0	-43.71	370.42	7.82	-35.89
COCCC(C)S(=O)(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749998	0	47	-1.0	-65.68	379.67	5.33	-60.35
COC1=CC=C(F)C=C1S(=O)(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007749999	0	45	-1.0	-47.02	371.93	6.72	-40.30
CCC(C)CS(=O)(=O)NC(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300007750000	0	46	-1.0	-50.17	362.04	6.74	-43.43
COC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752457	0	36	-1.0	-40.89	306.08	4.47	-36.42
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752458	0	43	-1.0	-43.69	350.92	5.43	-38.26
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007752459	0	43	-1.0	-56.74	379.51	1.45	-55.29
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007752460	0	50	-1.0	-52.60	374.39	6.17	-46.43
CC1=NC2=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=CC=C2C=C1	REAL300007752461	0	40	-1.0	-51.03	331.92	6.18	-44.85
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007752462	0	40	-1.0	-51.43	347.92	6.43	-45.00
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007752463	0	43	-1.0	-46.51	365.06	3.17	-43.34
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752464	0	46	-1.0	-42.18	389.24	5.88	-36.30
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752465	0	46	-1.0	-44.01	391.59	5.89	-38.12
CCCN1C=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752466	0	38	-1.0	-62.37	335.93	5.30	-57.07
COCCOCCOCCS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752467	0	46	-1.0	-56.43	395.74	1.83	-54.60
CC(COC1CCCC1)CS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752468	0	48	-1.0	-56.75	387.81	5.89	-50.86
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752469	0	39	-1.0	-51.06	355.63	4.81	-46.25
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007752470	0	40	-1.0	-51.43	346.45	2.25	-49.18
COC1=CC(Br)=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752471	0	36	-1.0	-51.76	338.44	4.40	-47.36
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007752472	0	36	-1.0	-39.64	311.47	4.95	-34.69
COC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007752473	0	38	-1.0	-41.54	341.17	5.31	-36.23
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752474	0	38	-1.0	-50.77	336.34	6.09	-44.68
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752475	0	38	-1.0	-39.73	335.97	6.39	-33.34
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007752476	0	38	-1.0	-40.94	342.34	6.13	-34.81
CC(C)C1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752477	0	41	-1.0	-56.62	334.26	6.34	-50.28
O=C([O-])C(CC1CC1)NS(=O)(=O)CCCN1CCOCC1	REAL300007752478	0	44	-1.0	-56.87	360.93	1.48	-55.39
CCOC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752479	0	39	-1.0	-44.56	337.01	4.80	-39.76
COCCN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007752480	0	39	-1.0	-51.30	348.14	2.12	-49.18
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007752481	0	39	-1.0	-46.06	350.08	5.15	-40.91
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1C	REAL300007752482	0	59	-1.0	-44.56	469.13	9.01	-35.55
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007752483	0	40	-1.0	-42.10	356.80	6.71	-35.39
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007752484	0	37	-1.0	-48.50	326.85	4.94	-43.56
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007752485	0	35	-1.0	-42.85	331.53	5.92	-36.93
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC=C1Br	REAL300007752486	0	35	-1.0	-45.05	327.02	5.86	-39.19
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007752487	0	39	-1.0	-55.49	350.26	2.43	-53.06
CC1=CC(Br)=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752488	0	35	-1.0	-52.93	330.11	5.78	-47.15
CC1=C(Br)C=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752489	0	35	-1.0	-51.37	319.07	5.89	-45.48
COCC1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752490	0	39	-1.0	-53.08	329.76	4.40	-48.68
COC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1Br	REAL300007752491	0	36	-1.0	-42.35	337.82	4.57	-37.78
COC1=CC(OC)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Cl	REAL300007752492	0	40	-1.0	-44.79	359.40	4.25	-40.54
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007752493	0	35	-1.0	-58.32	332.44	3.57	-54.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007752494	0	35	-1.0	-55.66	327.56	3.35	-52.31
CC1(C)CC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC=C2O1	REAL300007752495	0	43	-1.0	-53.06	365.11	5.75	-47.31
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007752496	0	35	-1.0	-48.38	315.24	3.96	-44.42
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752497	0	43	-1.0	-60.35	358.52	2.50	-57.85
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752498	0	44	-1.0	-52.58	391.56	3.85	-48.73
CSC1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752499	0	36	-1.0	-58.07	320.62	5.50	-52.57
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1F	REAL300007752500	0	40	-1.0	-42.19	366.86	1.38	-40.81
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752501	0	46	-1.0	-48.81	407.04	2.43	-46.38
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752502	0	43	-1.0	-67.23	364.93	4.20	-63.03
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1F	REAL300007752503	0	43	-1.0	-40.57	386.07	2.23	-38.34
CCC1=CC=C(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752504	0	41	-1.0	-42.80	349.80	6.69	-36.11
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=CS1	REAL300007752505	0	35	-1.0	-42.90	321.96	5.18	-37.72
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007752506	0	47	-1.0	-46.83	401.66	5.04	-41.79
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007752507	0	44	-1.0	-55.48	372.65	4.65	-50.83
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752508	0	41	-1.0	-53.39	370.07	3.02	-50.37
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752509	0	42	-1.0	-47.34	360.40	1.92	-45.42
CC1=CC=C(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007752510	0	41	-1.0	-57.53	349.66	6.39	-51.14
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Br	REAL300007752511	0	39	-1.0	-41.93	357.41	5.46	-36.47
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007752512	0	46	-1.0	-47.47	393.82	7.63	-39.84
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007752513	0	36	-1.0	-39.77	323.36	5.11	-34.66
COC1=CC=C(Br)C(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752514	0	39	-1.0	-44.96	353.09	5.12	-39.84
CC1(C)CN(S(=O)(=O)NC(CC2CC2)C(=O)[O-])CCO1	REAL300007752515	0	41	-1.0	-42.16	333.36	2.87	-39.29
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2S1	REAL300007752516	0	46	-1.0	-52.71	400.63	6.44	-46.27
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752517	0	39	-1.0	-41.78	337.66	5.90	-35.88
CC(C)N1N=CC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC=C21	REAL300007752518	0	44	-1.0	-46.54	378.63	6.16	-40.38
CCS(=O)(=O)NCCS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752519	0	39	-1.0	-59.88	351.11	-0.74	-60.62
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007752520	0	38	-1.0	-53.78	342.36	5.84	-47.94
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007752521	0	35	-1.0	-52.44	343.87	6.45	-45.99
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007752522	0	38	-1.0	-57.82	356.17	7.40	-50.42
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007752523	0	35	-1.0	-43.79	339.44	6.56	-37.23
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007752524	0	38	-1.0	-57.03	343.76	7.28	-49.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007752525	0	38	-1.0	-42.17	346.71	6.38	-35.79
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007752526	0	43	-1.0	-44.76	367.63	5.92	-38.84
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007752527	0	46	-1.0	-41.94	385.51	7.91	-34.03
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752528	0	45	-1.0	-47.78	392.19	6.10	-41.68
O=C([O-])C(CC1CC1)NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007752529	0	43	-1.0	-59.85	387.25	1.57	-58.28
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007752530	0	41	-1.0	-51.28	352.72	7.41	-43.87
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1N(C)C	REAL300007752531	0	43	-1.0	-44.54	362.81	5.29	-39.25
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007752532	0	38	-1.0	-57.33	348.93	6.42	-50.91
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007752533	0	37	-1.0	-58.02	318.25	1.54	-56.48
O=C([O-])C(CC1CC1)NS(=O)(=O)CCOCC1CCCC1	REAL300007752534	0	45	-1.0	-53.29	372.23	4.94	-48.35
COC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Cl	REAL300007752535	0	39	-1.0	-56.07	342.89	4.89	-51.18
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752536	0	41	-1.0	-50.79	367.60	2.76	-48.03
CSC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Cl	REAL300007752537	0	36	-1.0	-41.81	340.85	6.03	-35.78
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752538	0	44	-1.0	-45.43	357.91	5.02	-40.41
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007752539	0	40	-1.0	-51.80	358.60	3.05	-48.75
CCC1=NOC2=NC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C12	REAL300007752540	0	39	-1.0	-43.35	346.98	2.31	-41.04
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007752541	0	43	-1.0	-45.85	382.26	4.42	-41.43
CN1N=CC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CN=C21	REAL300007752542	0	37	-1.0	-50.79	331.77	3.64	-47.15
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007752543	0	38	-1.0	-43.99	355.11	7.50	-36.49
CCC1=CC(CC)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(CC)=C1	REAL300007752544	0	50	-1.0	-42.29	382.78	9.03	-33.26
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007752545	0	39	-1.0	-64.27	334.64	4.56	-59.71
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007752546	0	38	-1.0	-50.47	356.29	2.55	-47.92
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007752547	0	41	-1.0	-65.73	352.71	8.20	-57.53
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1F	REAL300007752548	0	39	-1.0	-43.84	331.24	4.70	-39.14
CC1(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])CCCCC1	REAL300007752549	0	44	-1.0	-41.85	336.32	6.08	-35.77
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007752550	0	41	-1.0	-55.04	346.91	5.87	-49.17
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007752552	0	40	-1.0	-50.95	357.18	5.74	-45.21
COCC1=CC(Cl)=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752553	0	39	-1.0	-53.36	359.21	4.74	-48.62
CC1=CC=C(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])C(F)=C1	REAL300007752554	0	38	-1.0	-46.15	333.63	5.96	-40.19
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007752556	0	32	-1.0	-51.05	320.93	4.72	-46.33
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007752557	0	45	-1.0	-42.10	371.90	7.83	-34.27
CC(C)(C)C1=CC(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])=NO1	REAL300007752558	0	43	-1.0	-46.13	368.36	5.31	-40.82
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007752559	0	41	-1.0	-66.33	348.66	1.65	-64.68
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007752560	0	35	-1.0	-52.70	324.79	5.01	-47.69
CC1=C(CCS(=O)(=O)NC(CC2CC2)C(=O)[O-])SC=N1	REAL300007752561	0	37	-1.0	-42.44	332.37	3.77	-38.67
O=C([O-])C(CC1CC1)NS(=O)(=O)CC12CCC(CC1)C2	REAL300007752562	0	42	-1.0	-57.21	335.83	5.87	-51.34
COC1=CC=C2C=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])CCC2=C1	REAL300007752563	0	44	-1.0	-46.06	371.74	6.31	-39.75
O=C([O-])C(CC1CC1)NS(=O)(=O)CC12CCC(CC1)CC2	REAL300007752564	0	45	-1.0	-56.60	344.67	6.52	-50.08
CC(C)(CCS(=O)(=O)NC(CC1CC1)C(=O)[O-])S(C)(=O)=O	REAL300007752565	0	43	-1.0	-62.49	360.50	1.63	-60.86
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1CCCCC1(F)F	REAL300007752566	0	41	-1.0	-46.30	340.26	5.76	-40.54
O=C([O-])C(CC1CC1)NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007752567	0	39	-1.0	-43.48	335.65	6.62	-36.86
CCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007752568	0	40	-1.0	-45.72	348.05	6.39	-39.33
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007752569	0	32	-1.0	-39.89	302.45	5.12	-34.77
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007752570	0	32	-1.0	-39.90	307.02	5.23	-34.67
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007752571	0	34	-1.0	-40.13	316.12	5.30	-34.83
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007752572	0	38	-1.0	-47.45	333.86	6.90	-40.55
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007752573	0	34	-1.0	-42.03	316.14	5.28	-36.75
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752574	0	37	-1.0	-41.71	327.97	6.13	-35.58
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007752575	0	34	-1.0	-59.09	303.09	5.93	-53.16
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752576	0	39	-1.0	-40.96	341.12	5.88	-35.08
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752577	0	39	-1.0	-44.04	339.26	4.84	-39.20
CC1=CC(C)=C(C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1C	REAL300007752578	0	44	-1.0	-53.89	349.99	7.21	-46.68
CC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1	REAL300007752579	0	41	-1.0	-53.53	336.06	6.74	-46.79
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752580	0	47	-1.0	-42.90	372.96	7.69	-35.21
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007752581	0	35	-1.0	-41.21	326.64	5.62	-35.59
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007752582	0	35	-1.0	-55.10	305.07	5.77	-49.33
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007752583	0	32	-1.0	-40.54	302.39	5.09	-35.45
CC(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752584	0	37	-1.0	-43.69	326.96	5.01	-38.68
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007752585	0	38	-1.0	-47.29	341.16	5.32	-41.97
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752586	0	44	-1.0	-43.57	361.93	6.91	-36.66
CC(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752587	0	41	-1.0	-44.59	348.13	6.56	-38.03
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752588	0	43	-1.0	-49.45	383.50	2.63	-46.82
CCCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752589	0	41	-1.0	-44.12	352.29	6.85	-37.27
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Br	REAL300007752590	0	36	-1.0	-42.03	335.56	4.53	-37.50
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1Br	REAL300007752591	0	35	-1.0	-40.62	325.14	5.76	-34.86
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2)=C1	REAL300007752592	0	46	-1.0	-44.38	395.83	8.12	-36.26
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007752593	0	36	-1.0	-41.09	333.88	4.44	-36.65
CC1=C(C)C(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1C	REAL300007752594	0	47	-1.0	-54.72	361.29	7.62	-47.10
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007752595	0	41	-1.0	-43.00	348.47	4.52	-38.48
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752596	0	48	-1.0	-44.51	374.33	7.04	-37.47
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007752597	0	37	-1.0	-44.67	332.54	5.88	-38.79
COC1=CC=C(Br)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752598	0	36	-1.0	-40.79	320.99	5.02	-35.77
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752599	0	50	-1.0	-52.58	390.59	8.44	-44.14
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007752600	0	35	-1.0	-40.48	326.63	5.63	-34.85
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007752601	0	42	-1.0	-44.75	348.38	7.06	-37.69
COC1=CC=C(OC)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752602	0	40	-1.0	-44.80	329.15	3.70	-41.10
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1OC	REAL300007752603	0	40	-1.0	-46.03	346.63	3.81	-42.22
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007752604	0	39	-1.0	-55.17	333.17	6.40	-48.77
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007752605	0	40	-1.0	-45.93	342.26	7.01	-38.92
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007752606	0	37	-1.0	-46.17	323.84	4.47	-41.70
CC(C)CCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752607	0	47	-1.0	-42.70	389.18	8.10	-34.60
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1OCC	REAL300007752608	0	46	-1.0	-45.23	388.09	5.61	-39.62
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752609	0	37	-1.0	-48.62	339.96	-0.45	-49.07
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007752610	0	40	-1.0	-50.14	348.49	6.23	-43.91
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1C	REAL300007752611	0	40	-1.0	-58.40	343.38	6.32	-52.08
CC1=CC2=CC=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=C2N=C1	REAL300007752612	0	40	-1.0	-60.89	347.46	5.70	-55.19
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007752613	0	38	-1.0	-55.56	332.85	5.21	-50.35
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752614	0	36	-1.0	-53.82	330.53	4.86	-48.96
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752615	0	37	-1.0	-50.00	342.09	-0.44	-50.44
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007752616	0	44	-1.0	-52.24	396.92	2.47	-49.77
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752617	0	40	-1.0	-55.63	352.95	5.98	-49.65
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007752618	0	41	-1.0	-44.59	344.46	5.93	-38.66
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CN=C12	REAL300007752619	0	40	-1.0	-54.98	342.51	5.70	-49.28
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007752620	0	40	-1.0	-50.36	343.78	7.31	-43.05
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752621	0	43	-1.0	-49.93	383.51	2.60	-47.33
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007752622	0	44	-1.0	-66.98	374.42	3.85	-63.13
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752623	0	38	-1.0	-52.88	346.35	2.08	-50.80
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007752624	0	42	-1.0	-45.08	350.10	8.39	-36.69
CC1CC(C)CN(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300007752625	0	43	-1.0	-54.02	323.48	4.92	-49.10
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007752626	0	38	-1.0	-47.98	327.35	7.01	-40.97
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007752627	0	42	-1.0	-45.15	359.83	7.98	-37.17
CC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752628	0	35	-1.0	-41.19	306.13	5.53	-35.66
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=CC=C12	REAL300007752629	0	46	-1.0	-54.84	380.57	6.60	-48.24
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007752630	0	33	-1.0	-47.25	311.17	2.78	-44.47
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752631	0	36	-1.0	-40.83	316.42	4.92	-35.91
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752632	0	47	-1.0	-43.75	376.15	7.38	-36.37
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Cl	REAL300007752633	0	35	-1.0	-43.86	323.38	5.73	-38.13
CC(C)OC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752634	0	42	-1.0	-45.22	357.17	5.48	-39.74
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007752635	0	35	-1.0	-42.89	326.96	5.81	-37.08
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300007752636	0	33	-1.0	-63.88	296.87	3.32	-60.56
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007752637	0	37	-1.0	-44.51	344.43	7.12	-37.39
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007752638	0	37	-1.0	-52.49	328.31	5.21	-47.28
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007752639	0	43	-1.0	-48.60	393.41	8.01	-40.59
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752640	0	38	-1.0	-51.45	342.02	5.00	-46.45
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1F	REAL300007752641	0	36	-1.0	-43.52	323.62	3.98	-39.54
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1F	REAL300007752642	0	35	-1.0	-43.29	312.38	5.28	-38.01
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007752643	0	43	-1.0	-42.38	391.06	7.94	-34.44
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2)C=C1	REAL300007752644	0	47	-1.0	-43.89	403.90	6.73	-37.16
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C(C)C)=C1	REAL300007752645	0	59	-1.0	-44.83	448.57	10.66	-34.17
CC(C)OC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC=C12	REAL300007752646	0	48	-1.0	-55.50	396.17	7.76	-47.74
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007752647	0	35	-1.0	-56.62	343.17	6.16	-50.46
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC=C12	REAL300007752648	0	42	-1.0	-55.98	355.24	6.13	-49.85
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752649	0	37	-1.0	-39.10	327.96	6.12	-32.98
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752650	0	37	-1.0	-49.92	322.21	5.82	-44.10
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752651	0	40	-1.0	-41.21	344.32	7.01	-34.20
CC(C)CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752652	0	44	-1.0	-42.77	366.88	7.28	-35.49
COCCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752653	0	42	-1.0	-43.08	362.29	5.10	-37.98
COCCN(CCOC)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752654	0	44	-1.0	-52.37	356.12	1.76	-50.61
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752655	0	35	-1.0	-39.92	313.61	5.90	-34.02
COC1=C(C)C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007752656	0	42	-1.0	-46.14	361.49	5.50	-40.64
CC(C)CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752657	0	48	-1.0	-43.72	399.81	6.97	-36.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007752658	0	46	-1.0	-44.14	382.56	6.84	-37.30
CC(C)COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752659	0	45	-1.0	-44.08	380.84	6.36	-37.72
CCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752660	0	42	-1.0	-43.99	360.74	5.67	-38.32
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Cl	REAL300007752661	0	36	-1.0	-42.03	331.17	4.42	-37.61
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007752662	0	36	-1.0	-43.52	340.92	4.69	-38.83
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007752663	0	39	-1.0	-52.89	336.97	4.56	-48.33
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1OC(C)C	REAL300007752664	0	45	-1.0	-52.71	376.98	6.08	-46.63
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1	REAL300007752665	0	39	-1.0	-54.13	329.78	4.63	-49.50
COCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752666	0	43	-1.0	-44.53	370.69	4.10	-40.43
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC=C1F	REAL300007752667	0	35	-1.0	-45.70	312.20	5.28	-40.42
CC1=CC(Br)=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752668	0	35	-1.0	-39.18	318.16	5.99	-33.19
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1C	REAL300007752669	0	40	-1.0	-48.67	333.29	7.37	-41.30
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752670	0	41	-1.0	-52.36	357.62	2.90	-49.46
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007752671	0	44	-1.0	-47.76	394.73	2.44	-45.32
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752672	0	40	-1.0	-49.41	364.51	0.80	-48.61
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752673	0	40	-1.0	-55.10	342.37	2.99	-52.11
CC1=NC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300007752674	0	34	-1.0	-44.00	313.14	3.18	-40.82
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007752675	0	35	-1.0	-53.35	323.34	5.81	-47.54
COC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1F	REAL300007752676	0	36	-1.0	-41.51	321.36	3.93	-37.58
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007752677	0	42	-1.0	-46.86	362.13	8.04	-38.82
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007752678	0	35	-1.0	-54.55	344.47	6.23	-48.32
CC1=NC(C2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])S2)=CS1	REAL300007752679	0	38	-1.0	-53.88	367.83	5.06	-48.82
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007752680	0	52	-1.0	-42.96	420.30	8.22	-34.74
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752681	0	40	-1.0	-50.31	332.48	6.27	-44.04
CNC(=O)C1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CN1C	REAL300007752682	0	40	-1.0	-54.89	352.28	2.14	-52.75
COC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1	REAL300007752683	0	42	-1.0	-44.18	342.72	5.45	-38.73
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007752684	0	43	-1.0	-54.59	371.87	8.61	-45.98
COC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007752685	0	42	-1.0	-43.06	346.31	5.40	-37.66
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007752686	0	40	-1.0	-46.74	331.79	5.79	-40.95
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007752687	0	37	-1.0	-55.99	322.31	4.94	-51.05
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC(CC1CC1)C(=O)[O-])=C2	REAL300007752688	0	45	-1.0	-59.55	387.44	8.32	-51.23
CCN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007752689	0	37	-1.0	-53.24	337.84	5.38	-47.86
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007752690	0	39	-1.0	-41.97	356.64	5.29	-36.68
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007752691	0	46	-1.0	-44.37	396.98	7.88	-36.49
CCC(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752692	0	40	-1.0	-49.26	351.00	5.88	-43.38
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007752693	0	42	-1.0	-48.27	373.89	6.19	-42.08
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007752694	0	35	-1.0	-71.88	316.80	3.76	-68.12
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752695	0	54	-1.0	-55.68	424.36	7.46	-48.22
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752696	0	40	-1.0	-50.82	361.46	1.35	-49.47
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300007752697	0	35	-1.0	-42.56	315.51	5.37	-37.19
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC=C12	REAL300007752698	0	45	-1.0	-55.78	377.35	7.04	-48.74
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752699	0	42	-1.0	-44.47	338.78	6.15	-38.32
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007752700	0	37	-1.0	-49.72	336.20	4.79	-44.93
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007752701	0	39	-1.0	-48.42	346.22	5.70	-42.72
CCOCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752702	0	46	-1.0	-44.56	392.55	5.06	-39.50
CCCCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752703	0	48	-1.0	-42.64	401.56	7.19	-35.45
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007752704	0	42	-1.0	-55.91	335.34	6.83	-49.08
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007752705	0	38	-1.0	-45.57	331.60	6.35	-39.22
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007752706	0	36	-1.0	-40.44	342.10	6.06	-34.38
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007752707	0	37	-1.0	-52.52	323.62	3.79	-48.73
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007752708	0	40	-1.0	-52.80	346.79	5.78	-47.02
O=C([O-])C(CC1CC1)NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007752709	0	38	-1.0	-44.95	326.78	0.99	-43.96
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007752710	0	37	-1.0	-43.27	333.99	4.78	-38.49
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1	REAL300007752711	0	42	-1.0	-54.08	351.89	5.53	-48.55
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752712	0	40	-1.0	-61.26	364.26	0.66	-60.60
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007752713	0	36	-1.0	-45.95	324.31	4.67	-41.28
CSC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752714	0	36	-1.0	-42.73	325.92	5.62	-37.11
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007752715	0	38	-1.0	-41.90	345.63	6.24	-35.66
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752716	0	43	-1.0	-54.45	351.39	6.15	-48.30
CCN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])N=C1C	REAL300007752717	0	38	-1.0	-57.14	333.92	4.28	-52.86
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007752718	0	38	-1.0	-47.74	329.89	4.25	-43.49
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007752719	0	37	-1.0	-54.35	322.16	4.88	-49.47
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007752720	0	44	-1.0	-45.98	375.58	6.46	-39.52
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(F)(F)F	REAL300007752721	0	38	-1.0	-42.60	340.08	6.09	-36.51
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007752722	0	38	-1.0	-58.25	361.69	5.26	-52.99
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007752723	0	41	-1.0	-45.71	350.49	6.18	-39.53
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C12	REAL300007752724	0	40	-1.0	-46.35	354.22	4.36	-41.99
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752725	0	39	-1.0	-46.39	355.13	5.18	-41.21
COCC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752726	0	39	-1.0	-43.60	340.73	4.29	-39.31
CC1(C)CC2=CC=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=C2O1	REAL300007752727	0	43	-1.0	-63.22	359.17	5.93	-57.29
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300007752728	0	35	-1.0	-45.23	323.82	5.75	-39.48
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007752729	0	44	-1.0	-60.73	384.49	3.15	-57.58
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007752730	0	39	-1.0	-39.31	352.90	5.04	-34.27
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007752731	0	40	-1.0	-55.94	347.55	5.09	-50.85
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007752732	0	35	-1.0	-56.47	338.29	6.09	-50.38
CC1CC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC=C2O1	REAL300007752733	0	40	-1.0	-44.95	342.56	5.16	-39.79
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752734	0	44	-1.0	-53.31	340.78	7.62	-45.69
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752735	0	44	-1.0	-60.17	371.94	3.35	-56.82
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007752736	0	43	-1.0	-44.85	393.33	7.98	-36.87
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007752737	0	38	-1.0	-52.95	354.01	5.20	-47.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007752738	0	38	-1.0	-57.95	372.00	5.71	-52.24
CC1=NC(C2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2)=CO1	REAL300007752739	0	41	-1.0	-48.61	364.31	3.68	-44.93
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007752740	0	35	-1.0	-51.76	319.43	3.27	-48.49
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007752741	0	35	-1.0	-56.94	318.61	4.91	-52.03
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007752742	0	35	-1.0	-44.84	313.96	3.28	-41.56
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007752743	0	35	-1.0	-51.32	314.63	1.18	-50.14
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007752744	0	40	-1.0	-45.27	339.36	5.20	-40.07
O=C([O-])C(CC1CC1)NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007752745	0	39	-1.0	-43.63	330.57	6.36	-37.27
CC1=CC=C(N2C=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=N2)C=C1	REAL300007752746	0	42	-1.0	-52.01	370.36	6.29	-45.72
CC1CC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC(Cl)=C2O1	REAL300007752747	0	40	-1.0	-50.31	361.44	5.61	-44.70
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007752748	0	37	-1.0	-49.01	331.63	5.70	-43.31
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007752749	0	43	-1.0	-52.60	373.39	5.34	-47.26
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007752750	0	34	-1.0	-51.83	319.69	3.98	-47.85
CN(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752751	0	40	-1.0	-46.79	339.39	5.05	-41.74
CC1=CC2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2C=C1	REAL300007752752	0	41	-1.0	-46.28	352.94	7.51	-38.77
COC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])SC=C1	REAL300007752753	0	33	-1.0	-59.74	297.82	2.83	-56.91
CN(C)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752754	0	40	-1.0	-46.50	339.44	5.01	-41.49
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007752755	0	37	-1.0	-58.88	319.93	4.29	-54.59
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007752756	0	37	-1.0	-46.36	333.59	4.63	-41.73
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007752757	0	37	-1.0	-45.27	321.46	4.42	-40.85
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007752758	0	38	-1.0	-40.61	345.31	6.56	-34.05
CN1CCCC2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C21	REAL300007752759	0	44	-1.0	-56.02	361.64	5.07	-50.95
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007752760	0	34	-1.0	-42.40	322.64	3.86	-38.54
COC1=CC=CC(OC)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752761	0	40	-1.0	-51.45	341.10	5.17	-46.28
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752762	0	40	-1.0	-49.38	344.44	6.47	-42.91
CC1=CC=C(C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007752763	0	40	-1.0	-70.47	345.63	7.84	-62.63
CC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007752764	0	40	-1.0	-60.23	343.87	6.49	-53.74
COC1=CC=C(CCS(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752765	0	42	-1.0	-44.11	361.34	5.39	-38.72
COC1=CN=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752766	0	35	-1.0	-44.26	310.23	2.06	-42.20
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300007752767	0	41	-1.0	-54.26	361.15	6.20	-48.06
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007752768	0	39	-1.0	-53.45	336.64	6.62	-46.83
COC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC(OC)=C1	REAL300007752769	0	40	-1.0	-55.94	346.63	3.10	-52.84
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1CCCCC1	REAL300007752770	0	44	-1.0	-41.97	352.51	6.24	-35.73
CC1=CC=C(CCS(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752771	0	41	-1.0	-42.83	351.99	6.77	-36.06
CC1=CC2=C(C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-])OCO2	REAL300007752772	0	38	-1.0	-55.59	326.33	3.99	-51.60
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007752773	0	35	-1.0	-57.54	315.85	4.86	-52.68
COC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1Cl	REAL300007752774	0	36	-1.0	-42.28	333.43	4.46	-37.82
CN1C=NC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC=C21	REAL300007752775	0	38	-1.0	-51.26	333.92	5.91	-45.35
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007752776	0	40	-1.0	-52.88	339.68	6.37	-46.51
CC1=NC2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2O1	REAL300007752777	0	37	-1.0	-48.34	331.55	2.28	-46.06
CCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1CC	REAL300007752778	0	44	-1.0	-53.92	364.71	7.05	-46.87
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752779	0	40	-1.0	-47.56	342.85	6.75	-40.81
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752780	0	42	-1.0	-47.09	348.37	6.35	-40.74
CC1=C(C)SC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752781	0	35	-1.0	-54.73	321.31	4.89	-49.84
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752782	0	33	-1.0	-50.49	310.82	2.43	-48.06
CCC1=NC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300007752783	0	34	-1.0	-42.08	315.66	3.19	-38.89
CN(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007752784	0	39	-1.0	-55.32	336.46	4.29	-51.03
CC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300007752785	0	35	-1.0	-55.21	307.95	4.64	-50.57
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007752786	0	38	-1.0	-60.16	330.68	5.94	-54.22
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007752787	0	35	-1.0	-54.86	315.19	3.19	-51.67
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC(C)=C1F	REAL300007752788	0	38	-1.0	-42.32	334.95	5.95	-36.37
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007752789	0	39	-1.0	-55.51	343.64	4.24	-51.27
O=C([O-])C(CC1CC1)NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007752790	0	45	-1.0	-58.93	388.27	6.04	-52.89
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007752791	0	36	-1.0	-58.97	326.23	4.58	-54.39
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007752792	0	34	-1.0	-58.46	318.16	3.93	-54.53
CC1=NC(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])=CS1	REAL300007752793	0	34	-1.0	-60.61	317.83	2.87	-57.74
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007752794	0	35	-1.0	-39.79	323.64	5.77	-34.02
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1Cl	REAL300007752795	0	35	-1.0	-40.59	321.11	5.68	-34.91
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007752796	0	38	-1.0	-65.43	335.73	5.47	-59.96
CC1=CSC(C2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2)=N1	REAL300007752797	0	41	-1.0	-46.82	374.15	6.09	-40.73
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007752798	0	40	-1.0	-58.82	337.93	5.66	-53.16
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007752799	0	39	-1.0	-47.47	350.76	2.43	-45.04
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007752800	0	41	-1.0	-54.93	350.52	4.89	-50.04
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007752801	0	35	-1.0	-41.88	326.79	5.76	-36.12
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752802	0	57	-1.0	-42.61	466.06	9.53	-33.08
CCC(C)OC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752803	0	45	-1.0	-46.07	377.94	6.27	-39.80
COC(CS(=O)(=O)NC(CC1CC1)C(=O)[O-])C1CCCC1	REAL300007752804	0	45	-1.0	-56.64	360.52	4.87	-51.77
COC(CS(=O)(=O)NC(CC1CC1)C(=O)[O-])C1CCCCC1	REAL300007752805	0	48	-1.0	-57.64	380.54	5.24	-52.40
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007752806	0	46	-1.0	-43.97	403.12	7.91	-36.06
CCOC(CS(=O)(=O)NC(CC1CC1)C(=O)[O-])C1CC1	REAL300007752807	0	42	-1.0	-57.63	351.34	4.81	-52.82
CCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(C)C	REAL300007752808	0	51	-1.0	-43.74	417.10	7.61	-36.13
CCC1=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CN1CC1CC1	REAL300007752809	0	45	-1.0	-63.23	387.55	6.47	-56.76
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007752810	0	35	-1.0	-51.27	328.02	4.05	-47.22
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007752811	0	40	-1.0	-50.16	349.69	6.89	-43.27
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752812	0	39	-1.0	-50.54	331.70	4.28	-46.26
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007752813	0	45	-1.0	-51.87	378.21	6.42	-45.45
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752814	0	35	-1.0	-41.31	327.26	3.17	-38.14
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007752815	0	43	-1.0	-44.23	386.25	8.67	-35.56
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007752816	0	42	-1.0	-50.04	351.82	8.08	-41.96
CCC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C(C)C=C1OC	REAL300007752817	0	45	-1.0	-43.88	370.75	6.23	-37.65
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007752818	0	38	-1.0	-40.22	359.10	6.51	-33.71
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300007752819	1	34	-1.0	-61.09	315.93	3.51	-57.58
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007752820	0	41	-1.0	-47.60	335.77	7.63	-39.97
CC(C)OC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007752821	0	41	-1.0	-42.73	354.82	3.14	-39.59
COC1=C(F)C=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752822	0	36	-1.0	-51.81	323.15	4.57	-47.24
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(C)C	REAL300007752823	0	48	-1.0	-43.99	395.61	6.81	-37.18
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1F	REAL300007752824	0	44	-1.0	-43.62	363.87	6.82	-36.80
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007752825	0	51	-1.0	-56.61	413.09	9.00	-47.61
CN1N=C2CCCCC2=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752826	0	42	-1.0	-50.29	344.74	4.53	-45.76
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300007752827	0	44	-1.0	-57.53	353.09	4.49	-53.04
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007752828	0	42	-1.0	-44.41	353.06	4.92	-39.49
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752829	0	35	-1.0	-45.10	318.03	3.31	-41.79
COC1=CC=C(F)C=C1CS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752830	0	39	-1.0	-46.58	344.82	4.73	-41.85
C=CCCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752831	0	42	-1.0	-42.73	362.92	7.37	-35.36
CCC1=NN(C)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752832	0	38	-1.0	-54.46	324.48	3.35	-51.11
CCCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(C)C	REAL300007752833	0	54	-1.0	-44.81	440.87	8.44	-36.37
O=C([O-])C(CC1CC1)NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007752834	0	36	-1.0	-52.70	337.49	6.22	-46.48
CCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(C)(C)C	REAL300007752835	0	54	-1.0	-46.23	431.93	8.33	-37.90
CCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1CC	REAL300007752836	0	48	-1.0	-44.90	402.45	7.12	-37.78
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752837	0	38	-1.0	-49.40	331.13	6.62	-42.78
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752838	0	38	-1.0	-40.77	345.87	6.54	-34.23
O=C([O-])C(CC1CC1)NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007752839	0	36	-1.0	-54.00	335.00	6.13	-47.87
CCCC1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752840	0	41	-1.0	-55.97	339.10	7.00	-48.97
COC1=NC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752841	0	35	-1.0	-55.33	311.79	1.72	-53.61
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752842	0	48	-1.0	-46.77	401.93	7.38	-39.39
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007752843	0	37	-1.0	-56.20	322.68	5.11	-51.09
CC1=CSC(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752844	0	35	-1.0	-50.12	309.72	5.15	-44.97
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007752845	0	39	-1.0	-46.77	335.55	4.25	-42.52
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007752846	0	39	-1.0	-43.31	331.51	4.25	-39.06
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007752847	0	42	-1.0	-43.39	352.39	4.94	-38.45
CC1(C)COC2=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=NN2C1	REAL300007752848	0	43	-1.0	-57.66	356.31	2.65	-55.01
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007752849	0	38	-1.0	-46.95	354.75	5.53	-41.42
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C2CCCCN12	REAL300007752850	0	39	-1.0	-51.21	327.24	4.44	-46.77
CCCCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(C)C	REAL300007752851	0	57	-1.0	-44.69	462.36	9.22	-35.47
COC1=CC(C(C)C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007752852	0	48	-1.0	-56.15	384.43	6.35	-49.80
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752853	0	42	-1.0	-42.93	348.97	6.11	-36.82
CCOCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(C)C	REAL300007752854	0	55	-1.0	-45.20	451.09	7.03	-38.17
CC1CC2=CC=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=C2O1	REAL300007752855	0	40	-1.0	-58.90	342.21	5.02	-53.88
CC(C)(C)C1=NC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300007752856	0	40	-1.0	-43.48	354.33	4.27	-39.21
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007752857	0	38	-1.0	-47.34	335.86	5.11	-42.23
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752858	0	37	-1.0	-56.47	323.49	4.06	-52.41
O=C([O-])C(CC1CC1)NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007752859	0	41	-1.0	-53.87	331.34	4.48	-49.39
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007752860	0	36	-1.0	-52.81	342.71	5.08	-47.73
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007752861	0	33	-1.0	-39.84	302.80	3.40	-36.44
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007752862	0	35	-1.0	-55.52	326.79	5.97	-49.55
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752863	0	39	-1.0	-46.44	338.40	4.38	-42.06
CC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1F	REAL300007752864	0	41	-1.0	-44.11	340.12	6.89	-37.22
COC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1OC	REAL300007752865	0	40	-1.0	-54.55	345.94	4.40	-50.15
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=COC2=CC=CC=C21	REAL300007752866	0	35	-1.0	-53.31	317.70	4.81	-48.50
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C2CCCC2)=N1	REAL300007752867	0	45	-1.0	-52.36	371.30	5.45	-46.91
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752868	0	44	-1.0	-46.91	363.05	5.09	-41.82
CCCCN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=N1	REAL300007752869	0	44	-1.0	-52.78	371.32	5.10	-47.68
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C2CC2)=N1	REAL300007752870	0	39	-1.0	-53.80	342.56	4.30	-49.50
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007752871	0	36	-1.0	-46.98	327.14	4.22	-42.76
CN1N=NC2=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=CC=C21	REAL300007752872	0	37	-1.0	-60.94	333.10	2.95	-57.99
CC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Br	REAL300007752873	0	38	-1.0	-55.69	340.70	6.51	-49.18
CC1(C)CCCN(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300007752874	0	43	-1.0	-41.52	341.67	5.06	-36.46
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007752875	0	38	-1.0	-49.59	356.03	5.61	-43.98
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C2CCC2)=N1	REAL300007752876	0	42	-1.0	-55.72	350.18	4.55	-51.17
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752877	0	50	-1.0	-44.78	397.53	8.50	-36.28
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007752878	0	38	-1.0	-40.00	356.87	6.45	-33.55
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007752879	0	42	-1.0	-46.13	359.64	5.22	-40.91
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007752880	0	36	-1.0	-43.84	322.41	5.78	-38.06
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007752881	0	43	-1.0	-57.58	383.83	7.29	-50.29
COC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007752882	0	41	-1.0	-68.08	351.23	5.73	-62.35
CCCC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752883	0	41	-1.0	-44.26	352.30	6.82	-37.44
CN1N=C2CCCC2=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752884	0	39	-1.0	-46.14	331.38	4.07	-42.07
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752885	0	41	-1.0	-53.61	326.81	3.92	-49.69
CC(C)(C)N1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007752886	0	41	-1.0	-51.65	352.64	4.25	-47.40
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007752887	0	39	-1.0	-52.07	331.65	3.40	-48.67
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007752888	0	37	-1.0	-46.97	338.38	4.33	-42.64
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007752889	0	35	-1.0	-48.21	332.54	5.58	-42.63
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752890	0	43	-1.0	-47.84	370.24	6.61	-41.23
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007752891	0	43	-1.0	-55.60	354.62	7.48	-48.12
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007752892	0	38	-1.0	-41.35	344.19	5.50	-35.85
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007752893	0	38	-1.0	-52.20	328.56	4.92	-47.28
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300007752894	0	39	-1.0	-47.71	339.64	2.95	-44.76
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752895	0	42	-1.0	-41.61	381.92	5.36	-36.25
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007752896	0	32	-1.0	-52.63	300.31	4.60	-48.03
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007752897	0	39	-1.0	-43.63	334.87	6.68	-36.95
COC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=CS1	REAL300007752898	0	33	-1.0	-56.63	309.39	3.00	-53.63
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007752899	0	42	-1.0	-50.99	342.56	4.69	-46.30
CCC(C)N1N=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752900	0	41	-1.0	-50.97	337.63	3.97	-47.00
CN(C1CCCCCC1)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752901	0	46	-1.0	-43.25	353.63	5.60	-37.65
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C2CCOCC2)=N1	REAL300007752902	0	46	-1.0	-55.23	377.10	3.33	-51.90
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752903	0	38	-1.0	-45.04	341.13	6.15	-38.89
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007752904	0	36	-1.0	-44.87	324.90	4.15	-40.72
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007752905	0	47	-1.0	-42.47	383.49	7.29	-35.18
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300007752906	0	33	-1.0	-42.25	309.46	3.04	-39.21
CC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=NC=CC=C12	REAL300007752907	0	43	-1.0	-61.22	354.74	6.66	-54.56
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007752908	0	40	-1.0	-39.50	343.44	4.75	-34.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(CCF)N=C1	REAL300007752909	0	35	-1.0	-50.99	320.82	3.23	-47.76
CCOCC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752910	0	42	-1.0	-44.82	364.83	5.30	-39.52
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752911	0	42	-1.0	-47.31	365.32	5.73	-41.58
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007752912	0	45	-1.0	-44.66	372.04	5.52	-39.14
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007752913	0	43	-1.0	-44.30	374.40	7.46	-36.84
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1CF	REAL300007752914	0	35	-1.0	-57.95	305.62	5.51	-52.44
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC(C)=C1Br	REAL300007752915	0	38	-1.0	-42.67	345.61	6.37	-36.30
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC=C12	REAL300007752916	0	41	-1.0	-57.76	344.82	7.27	-50.49
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007752917	0	42	-1.0	-54.72	353.52	5.52	-49.20
O=C([O-])C(CC1CC1)NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007752918	0	36	-1.0	-43.90	325.88	5.90	-38.00
O=C([O-])C(CC1CC1)NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007752919	0	36	-1.0	-52.69	342.05	6.32	-46.37
O=C([O-])C(CC1CC1)NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007752920	0	36	-1.0	-44.49	341.10	6.44	-38.05
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007752921	0	37	-1.0	-42.39	329.67	-1.48	-43.87
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007752922	0	35	-1.0	-56.72	313.93	4.90	-51.82
O=C([O-])C(CC1CC1)NS(=O)(=O)C1CCC(F)(F)CC1	REAL300007752923	0	38	-1.0	-39.79	319.31	5.10	-34.69
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007752924	0	34	-1.0	-45.53	316.59	3.96	-41.57
O=C([O-])C(CC1CC1)NS(=O)(=O)CCOC1CCOC1	REAL300007752925	0	40	-1.0	-53.78	342.05	1.70	-52.08
CC1=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007752926	0	41	-1.0	-59.99	358.98	3.63	-56.36
O=C([O-])C(CC1CC1)NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007752927	0	49	-1.0	-57.59	364.49	7.35	-50.24
CC1(C)COC(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300007752928	0	42	-1.0	-60.42	347.88	3.68	-56.74
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007752929	0	35	-1.0	-63.69	318.48	0.17	-63.52
CC(C)(CS(=O)(=O)NC(CC1CC1)C(=O)[O-])C(C)(F)F	REAL300007752930	0	40	-1.0	-46.88	325.47	5.04	-41.84
CS(=O)(=O)CCCCS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752931	0	40	-1.0	-65.13	357.73	1.31	-63.82
CC1(C)CCC(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])OC1	REAL300007752932	0	45	-1.0	-59.47	362.20	4.61	-54.86
O=C([O-])C(CC1CC1)NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007752933	0	42	-1.0	-55.12	357.77	6.81	-48.31
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007752934	0	36	-1.0	-48.78	331.12	3.57	-45.21
O=C([O-])C(CC1CC1)NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007752935	0	42	-1.0	-42.18	368.41	7.45	-34.73
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007752936	0	41	-1.0	-42.37	337.79	2.05	-40.32
O=C([O-])C(CC1CC1)NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007752937	0	45	-1.0	-55.81	354.62	6.47	-49.34
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007752938	0	36	-1.0	-54.71	332.13	5.84	-48.87
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC=C21	REAL300007752939	0	54	-1.0	-47.39	417.61	8.80	-38.59
COC1=CC=C(C=C(C)S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752940	0	43	-1.0	-46.27	357.47	5.50	-40.77
COC1=CSC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1OC	REAL300007752941	0	37	-1.0	-56.43	332.48	2.40	-54.03
O=C([O-])C(CC1CC1)NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007752942	0	44	-1.0	-43.72	348.88	5.05	-38.67
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752943	0	43	-1.0	-53.67	366.36	6.37	-47.30
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007752944	0	36	-1.0	-53.38	330.40	5.67	-47.71
COC1=CC(F)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(F)=C1	REAL300007752945	0	36	-1.0	-45.21	325.51	4.19	-41.02
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007752946	0	36	-1.0	-46.39	333.40	4.26	-42.13
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752947	0	38	-1.0	-47.58	330.07	4.49	-43.09
CN1C=CC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC=C21	REAL300007752948	0	39	-1.0	-49.72	339.36	6.34	-43.38
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007752949	0	41	-1.0	-45.67	364.56	5.06	-40.61
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752950	0	45	-1.0	-49.84	373.76	6.83	-43.01
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007752951	0	43	-1.0	-45.45	374.34	7.41	-38.04
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752952	0	38	-1.0	-62.23	315.41	6.15	-56.08
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007752953	0	33	-1.0	-45.43	329.91	3.35	-42.08
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752954	0	43	-1.0	-44.83	369.30	6.20	-38.63
CCN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C2CC2)=N1	REAL300007752955	0	42	-1.0	-53.85	364.33	5.14	-48.71
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=NSN=C2C=C1	REAL300007752956	0	36	-1.0	-64.18	326.64	3.94	-60.24
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007752957	0	38	-1.0	-44.15	350.55	7.40	-36.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007752958	0	42	-1.0	-44.94	378.83	8.56	-36.38
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007752959	0	31	-1.0	-48.83	315.03	2.51	-46.32
CCC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1Br	REAL300007752960	0	38	-1.0	-41.74	346.94	6.48	-35.26
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752961	0	45	-1.0	-44.37	370.99	5.55	-38.82
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Cl)=CS1	REAL300007752962	0	29	-1.0	-49.90	297.17	4.02	-45.88
COCCC1=CC=C(OC)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752963	0	46	-1.0	-43.86	376.28	4.90	-38.96
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007752964	0	38	-1.0	-45.64	343.04	7.32	-38.32
CN1N=C2CCOCC2=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752965	0	40	-1.0	-48.07	336.80	2.25	-45.82
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007752966	0	39	-1.0	-43.72	327.79	6.75	-36.97
CC1(C)CCN(S(=O)(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300007752967	0	43	-1.0	-42.11	340.41	4.73	-37.38
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007752968	0	47	-1.0	-45.63	389.78	5.01	-40.62
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752969	0	35	-1.0	-42.68	328.42	2.21	-40.47
COC1=NC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007752970	0	38	-1.0	-49.91	334.78	1.93	-47.98
CC(C)CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007752971	0	41	-1.0	-45.24	348.61	4.73	-40.51
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752972	0	41	-1.0	-52.67	346.77	4.11	-48.56
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007752973	0	42	-1.0	-54.01	339.04	1.91	-52.10
COCC1=CC(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])=NO1	REAL300007752974	0	38	-1.0	-56.91	341.83	2.36	-54.55
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007752975	0	37	-1.0	-39.52	333.38	6.59	-32.93
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])N=C1	REAL300007752976	0	43	-1.0	-47.04	360.30	5.01	-42.03
CC(C)N1N=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752977	0	38	-1.0	-43.02	326.02	3.61	-39.41
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007752978	0	39	-1.0	-43.34	336.76	4.39	-38.95
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007752979	0	39	-1.0	-53.00	332.84	5.36	-47.64
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007752980	0	34	-1.0	-42.73	313.85	3.47	-39.26
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300007752981	0	37	-1.0	-49.21	322.28	5.04	-44.17
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=NN1C(C)C	REAL300007752982	0	41	-1.0	-57.66	346.78	4.18	-53.48
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007752983	0	46	-1.0	-44.56	394.52	8.17	-36.39
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007752984	0	37	-1.0	-61.60	325.44	5.05	-56.55
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CC=C(Br)CC1	REAL300007752985	0	35	-1.0	-39.20	319.42	4.33	-34.87
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752986	0	40	-1.0	-48.10	337.86	0.31	-47.79
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CC2CCC(C1)O2	REAL300007752987	0	39	-1.0	-43.27	318.22	2.78	-40.49
N#CC1CCN(S(=O)(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300007752988	0	38	-1.0	-55.35	313.94	3.59	-51.76
COC1=CC=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752989	0	35	-1.0	-56.32	312.92	1.93	-54.39
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C(F)F)=C1	REAL300007752990	0	39	-1.0	-50.91	338.23	4.70	-46.21
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])N=C1	REAL300007752991	0	35	-1.0	-45.39	311.07	1.92	-43.47
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752992	0	38	-1.0	-41.94	350.56	2.68	-39.26
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007752993	0	37	-1.0	-45.83	321.82	5.12	-40.71
CCOC1=CC=CN=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007752994	0	38	-1.0	-63.86	333.43	3.88	-59.98
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=NC=CC=C12	REAL300007752995	0	40	-1.0	-62.07	344.11	5.58	-56.49
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007752996	0	36	-1.0	-48.72	306.57	4.06	-44.66
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007752997	0	34	-1.0	-61.05	317.54	3.55	-57.50
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300007752998	0	39	-1.0	-53.01	360.61	5.43	-47.58
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007752999	0	45	-1.0	-46.17	363.82	6.71	-39.46
CCC(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753000	0	41	-1.0	-48.35	341.86	6.05	-42.30
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753044	0	33	-1.0	-49.75	297.90	3.28	-46.47
CC1=C(Br)C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007753045	0	34	-1.0	-47.56	325.26	5.16	-42.40
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753046	0	40	-1.0	-54.16	353.43	3.52	-50.64
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300007753047	0	40	-1.0	-52.30	354.54	0.55	-51.75
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007753048	0	47	-1.0	-48.84	349.36	5.07	-43.77
CC1=NC2=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=CC=C2C=C1	REAL300007753049	0	37	-1.0	-56.43	324.44	4.68	-51.75
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007753050	0	37	-1.0	-59.13	327.44	5.29	-53.84
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007753051	0	40	-1.0	-51.76	340.38	1.98	-49.78
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753052	0	43	-1.0	-52.14	384.96	4.51	-47.63
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753053	0	43	-1.0	-51.12	380.34	4.71	-46.41
COCCOCCOCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753054	0	43	-1.0	-55.40	371.15	0.73	-54.67
CC(COC1CCCC1)CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753055	0	45	-1.0	-50.00	363.77	4.85	-45.15
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCOC2)C1	REAL300007753056	0	44	-1.0	-50.24	386.10	4.83	-45.41
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753057	0	36	-1.0	-49.46	330.94	3.73	-45.73
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007753058	0	37	-1.0	-51.09	321.90	1.22	-49.87
COC1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753059	0	33	-1.0	-48.41	313.98	3.38	-45.03
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007753060	0	33	-1.0	-49.08	307.71	3.54	-45.54
COC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007753061	0	35	-1.0	-51.28	318.70	4.20	-47.08
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753062	0	35	-1.0	-48.04	316.65	5.33	-42.71
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753063	0	35	-1.0	-47.47	317.03	5.37	-42.10
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007753064	0	35	-1.0	-48.57	317.07	4.94	-43.63
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCCN2CCOCC2)C1	REAL300007753065	0	41	-1.0	-54.02	336.37	0.39	-53.63
COCCN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300007753066	0	36	-1.0	-51.61	322.90	1.07	-50.54
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300007753067	0	36	-1.0	-54.51	327.03	3.97	-50.54
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1C	REAL300007753068	0	56	-1.0	-49.66	448.69	8.02	-41.64
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300007753069	0	43	-1.0	-52.79	383.64	1.89	-50.90
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007753070	0	37	-1.0	-57.32	336.14	5.59	-51.73
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300007753071	0	34	-1.0	-52.30	303.96	3.78	-48.52
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300007753072	0	32	-1.0	-50.85	308.27	4.79	-46.06
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300007753073	0	32	-1.0	-52.64	303.03	4.69	-47.95
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300007753074	0	36	-1.0	-63.68	327.78	1.32	-62.36
CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753075	0	32	-1.0	-47.66	305.88	4.75	-42.91
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753076	0	32	-1.0	-48.03	295.89	4.87	-43.16
COC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300007753077	0	33	-1.0	-49.37	312.57	3.39	-45.98
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300007753078	0	37	-1.0	-50.50	336.62	3.11	-47.39
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300007753079	0	32	-1.0	-55.73	307.21	2.53	-53.20
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300007753080	0	32	-1.0	-52.96	302.33	2.29	-50.67
CC1(C)CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C2O1	REAL300007753081	0	40	-1.0	-50.36	340.22	4.68	-45.68
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300007753082	0	32	-1.0	-51.83	290.26	2.30	-49.53
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753083	0	40	-1.0	-54.47	343.38	2.62	-51.85
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1I	REAL300007753084	0	32	-1.0	-48.00	308.51	5.10	-42.90
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753085	0	41	-1.0	-56.40	366.34	2.64	-53.76
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753086	0	46	-1.0	-55.09	399.51	3.13	-51.96
CSC1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753087	0	33	-1.0	-51.02	299.26	4.55	-46.47
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753088	0	46	-1.0	-57.26	406.08	1.97	-55.29
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300007753089	0	37	-1.0	-54.30	342.12	0.24	-54.06
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300007753090	0	43	-1.0	-57.31	398.52	1.07	-56.24
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(OC)=C1	REAL300007753091	0	44	-1.0	-57.19	386.63	0.88	-56.31
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300007753092	0	43	-1.0	-53.50	381.33	1.52	-51.98
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753093	0	43	-1.0	-54.36	381.89	1.22	-53.14
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753094	0	40	-1.0	-59.28	344.07	3.42	-55.86
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300007753095	0	43	-1.0	-53.15	385.08	1.92	-51.23
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N2CCCC2)C1	REAL300007753096	0	44	-1.0	-54.09	361.92	3.84	-50.25
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300007753097	0	40	-1.0	-51.62	363.56	1.13	-50.49
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300007753098	0	44	-1.0	-51.48	376.89	3.91	-47.57
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300007753099	0	41	-1.0	-54.86	354.62	3.44	-51.42
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753100	0	38	-1.0	-57.97	345.34	1.88	-56.09
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753101	0	39	-1.0	-59.91	352.24	0.74	-59.17
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300007753102	0	36	-1.0	-50.58	334.47	4.32	-46.26
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007753103	0	43	-1.0	-51.67	370.88	6.49	-45.18
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300007753104	0	33	-1.0	-49.94	318.36	4.00	-45.94
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)C1	REAL300007753105	0	35	-1.0	-50.92	343.64	1.58	-49.34
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753106	0	36	-1.0	-53.25	332.54	4.00	-49.25
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2S1	REAL300007753107	0	43	-1.0	-50.48	376.18	5.41	-45.07
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753108	0	36	-1.0	-49.52	322.25	4.52	-45.00
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300007753109	0	41	-1.0	-51.47	353.88	5.01	-46.46
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753110	0	36	-1.0	-60.59	326.55	-1.84	-62.43
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300007753111	0	35	-1.0	-48.78	315.89	4.76	-44.02
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300007753112	0	32	-1.0	-48.86	318.87	5.39	-43.47
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300007753113	0	35	-1.0	-47.92	328.93	6.29	-41.63
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)C1	REAL300007753114	0	32	-1.0	-50.05	316.67	5.33	-44.72
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300007753115	0	35	-1.0	-52.98	320.84	6.34	-46.64
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300007753116	0	35	-1.0	-49.97	324.18	5.26	-44.71
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300007753117	0	40	-1.0	-54.88	343.76	4.77	-50.11
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300007753118	0	43	-1.0	-49.18	366.91	6.79	-42.39
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753119	0	42	-1.0	-54.48	369.72	4.99	-49.49
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300007753120	0	40	-1.0	-59.43	362.65	0.48	-58.95
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300007753121	0	38	-1.0	-49.66	328.05	6.33	-43.33
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1N(C)C	REAL300007753122	0	40	-1.0	-48.94	338.06	4.12	-44.82
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300007753123	0	35	-1.0	-52.35	324.10	5.35	-47.00
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300007753124	0	34	-1.0	-51.90	294.48	0.41	-51.49
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCOCC2CCCC2)C1	REAL300007753125	0	42	-1.0	-51.36	347.40	3.87	-47.49
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300007753126	0	36	-1.0	-49.96	324.15	4.08	-45.88
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753127	0	38	-1.0	-63.91	347.11	1.65	-62.26
CSC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300007753128	0	33	-1.0	-49.04	318.37	4.94	-44.10
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753129	0	41	-1.0	-50.84	339.17	3.90	-46.94
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300007753130	0	37	-1.0	-52.47	334.31	2.02	-50.45
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C12	REAL300007753131	0	36	-1.0	-52.97	324.41	1.17	-51.80
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300007753132	0	40	-1.0	-52.35	359.73	3.28	-49.07
CN1N=CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CN=C21	REAL300007753133	0	34	-1.0	-52.58	307.14	2.54	-50.04
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300007753134	0	35	-1.0	-49.89	329.82	6.30	-43.59
CCC1=CC(CC)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(CC)=C1	REAL300007753135	0	47	-1.0	-48.03	362.78	8.11	-39.92
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753136	1	44	-1.0	-54.75	380.11	0.62	-54.13
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300007753137	0	35	-1.0	-49.86	331.40	1.50	-48.36
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300007753138	0	38	-1.0	-54.38	329.87	7.21	-47.17
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1F	REAL300007753139	0	36	-1.0	-50.90	312.37	3.68	-47.22
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300007753140	0	38	-1.0	-50.73	324.32	4.91	-45.82
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300007753142	0	37	-1.0	-51.27	332.23	4.70	-46.57
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753143	0	36	-1.0	-49.77	334.51	3.65	-46.12
CC1=CC=C(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300007753144	0	35	-1.0	-52.92	313.72	4.89	-48.03
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300007753146	0	29	-1.0	-47.93	295.83	3.63	-44.30
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300007753147	0	42	-1.0	-51.63	351.87	6.75	-44.88
CC(C)(C)C1=CC(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=NO1	REAL300007753148	0	40	-1.0	-54.94	344.56	4.15	-50.79
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300007753149	0	38	-1.0	-58.55	324.36	0.64	-57.91
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007753150	0	32	-1.0	-49.05	299.33	3.91	-45.14
CC1=C(CCS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)SC=N1	REAL300007753151	0	34	-1.0	-51.66	312.45	2.71	-48.95
COC1=CC=C2C=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)CCC2=C1	REAL300007753152	0	41	-1.0	-50.19	347.12	5.17	-45.02
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300007753153	0	42	-1.0	-49.16	320.64	5.49	-43.67
CC(C)(CCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)S(C)(=O)=O	REAL300007753154	0	40	-1.0	-62.02	335.90	0.54	-61.48
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2CCCCC2(F)F)C1	REAL300007753155	0	38	-1.0	-49.93	316.28	4.61	-45.32
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C12	REAL300007753156	0	44	-1.0	-54.72	386.55	6.74	-47.98
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C12	REAL300007753157	0	48	-1.0	-52.50	404.67	4.23	-48.27
CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007753158	0	37	-1.0	-53.47	325.14	5.27	-48.20
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300007753159	0	29	-1.0	-47.55	284.44	4.09	-43.46
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007753160	0	31	-1.0	-49.45	291.40	4.13	-45.32
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300007753161	0	35	-1.0	-50.27	309.10	5.74	-44.53
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300007753162	0	31	-1.0	-53.69	290.95	4.09	-49.60
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753163	0	34	-1.0	-51.99	306.15	5.01	-46.98
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300007753164	0	31	-1.0	-58.15	280.59	4.92	-53.23
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753165	0	36	-1.0	-50.95	334.73	4.74	-46.21
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1C	REAL300007753166	0	41	-1.0	-48.13	323.91	6.13	-42.00
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753167	0	44	-1.0	-47.88	354.16	6.67	-41.21
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300007753168	0	32	-1.0	-49.63	301.95	4.46	-45.17
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300007753169	0	32	-1.0	-51.80	286.63	4.95	-46.85
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007753170	0	35	-1.0	-55.56	318.25	4.17	-51.39
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753171	0	41	-1.0	-49.54	338.87	5.75	-43.79
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753172	0	46	-1.0	-53.84	399.91	3.17	-50.67
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753173	0	40	-1.0	-54.37	358.34	1.42	-52.95
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300007753174	0	33	-1.0	-50.55	312.58	3.38	-47.17
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C1	REAL300007753175	0	35	-1.0	-46.92	340.95	5.49	-41.43
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300007753176	0	32	-1.0	-47.68	302.69	4.64	-43.04
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)=C1	REAL300007753177	0	43	-1.0	-50.15	373.27	6.99	-43.16
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007753178	0	33	-1.0	-48.59	308.70	3.22	-45.37
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1C	REAL300007753179	0	44	-1.0	-49.52	335.72	6.50	-43.02
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300007753180	0	38	-1.0	-51.15	325.51	3.36	-47.79
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753181	0	45	-1.0	-51.79	368.05	5.54	-46.25
CN1C=C(Br)C2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C21	REAL300007753182	0	36	-1.0	-52.15	338.07	5.79	-46.36
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007753183	0	34	-1.0	-53.50	309.64	4.72	-48.78
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753184	0	33	-1.0	-50.82	313.19	3.84	-46.98
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753185	0	47	-1.0	-47.37	365.60	7.35	-40.02
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300007753186	0	32	-1.0	-48.95	301.38	4.43	-44.52
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300007753187	0	39	-1.0	-50.00	325.37	5.92	-44.08
COC1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753188	0	37	-1.0	-51.68	320.98	2.50	-49.18
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1OC	REAL300007753189	0	37	-1.0	-52.01	321.38	2.63	-49.38
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300007753190	0	37	-1.0	-49.13	317.69	5.86	-43.27
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753191	0	44	-1.0	-48.42	366.62	6.96	-41.46
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1OCC	REAL300007753192	0	43	-1.0	-51.29	365.15	4.46	-46.83
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753193	0	34	-1.0	-55.25	317.41	-1.59	-56.84
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300007753194	0	37	-1.0	-52.53	327.15	5.27	-47.26
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1C	REAL300007753195	0	37	-1.0	-51.16	323.78	5.56	-45.60
CC1=CC2=CC=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2N=C1	REAL300007753196	0	37	-1.0	-56.57	324.62	4.71	-51.86
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300007753197	0	35	-1.0	-56.09	310.05	4.23	-51.86
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753198	0	33	-1.0	-49.92	308.55	3.77	-46.15
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753199	0	34	-1.0	-55.58	317.36	-1.58	-57.16
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300007753200	0	41	-1.0	-56.46	371.71	1.27	-55.19
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753201	0	37	-1.0	-47.25	335.30	4.97	-42.28
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300007753202	0	38	-1.0	-49.10	319.98	4.73	-44.37
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CN=C12	REAL300007753203	0	37	-1.0	-51.84	319.51	4.73	-47.11
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300007753204	0	37	-1.0	-56.24	319.02	6.14	-50.10
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753205	0	40	-1.0	-54.22	357.90	1.50	-52.72
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300007753206	0	41	-1.0	-59.36	349.09	2.80	-56.56
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753207	0	35	-1.0	-58.80	323.38	0.95	-57.85
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300007753208	0	39	-1.0	-50.95	331.15	6.97	-43.98
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300007753209	0	35	-1.0	-51.43	304.15	5.83	-45.60
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300007753210	0	39	-1.0	-50.11	337.33	6.88	-43.23
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=CC=C12	REAL300007753211	0	43	-1.0	-50.80	357.62	5.66	-45.14
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300007753212	0	30	-1.0	-54.71	287.64	1.76	-52.95
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753213	0	33	-1.0	-49.63	307.95	3.72	-45.91
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753214	0	44	-1.0	-49.41	353.11	6.21	-43.20
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300007753215	0	32	-1.0	-48.88	298.63	4.58	-44.30
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753216	0	39	-1.0	-50.13	331.92	4.27	-45.86
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300007753217	0	32	-1.0	-51.02	303.71	4.69	-46.33
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300007753218	0	34	-1.0	-53.55	319.65	5.95	-47.60
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300007753219	0	34	-1.0	-54.92	294.51	4.68	-50.24
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300007753220	0	40	-1.0	-51.98	369.00	6.87	-45.11
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753221	0	35	-1.0	-48.96	310.98	4.00	-44.96
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300007753222	0	33	-1.0	-50.25	298.88	2.84	-47.41
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300007753223	0	40	-1.0	-48.85	370.29	6.89	-41.96
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)C=C1	REAL300007753224	0	44	-1.0	-50.44	381.33	5.60	-44.84
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C(C)C)=C1	REAL300007753225	0	56	-1.0	-48.01	420.68	9.22	-38.79
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300007753226	0	45	-1.0	-50.98	372.81	6.73	-44.25
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300007753227	0	32	-1.0	-50.90	318.94	5.15	-45.75
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300007753228	0	39	-1.0	-51.42	332.53	5.18	-46.24
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C1(C)NC(=O)NC1=O	REAL300007753229	0	45	-1.0	-54.18	383.14	1.05	-53.13
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753230	0	34	-1.0	-48.90	306.14	5.00	-43.90
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753231	0	34	-1.0	-51.90	300.29	4.83	-47.07
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753232	0	37	-1.0	-51.41	322.86	5.91	-45.50
CC(C)CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753233	0	41	-1.0	-49.75	343.82	6.12	-43.63
COCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753234	0	39	-1.0	-50.50	339.28	3.94	-46.56
COCCN(CCOC)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753235	0	41	-1.0	-47.46	332.38	0.54	-46.92
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753236	0	32	-1.0	-47.18	294.63	4.86	-42.32
COC1=C(C)C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300007753237	0	39	-1.0	-49.99	333.95	4.23	-45.76
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753238	0	45	-1.0	-49.73	374.58	5.75	-43.98
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300007753239	0	43	-1.0	-49.16	357.23	5.65	-43.51
CC(C)COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753240	0	42	-1.0	-49.82	355.60	5.14	-44.68
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753241	0	39	-1.0	-49.81	335.59	4.45	-45.36
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Cl	REAL300007753242	0	33	-1.0	-49.49	308.69	3.32	-46.17
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300007753243	0	33	-1.0	-50.13	318.44	3.59	-46.54
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1OC(C)C	REAL300007753244	0	42	-1.0	-49.20	352.55	5.05	-44.15
COCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753245	0	40	-1.0	-52.22	347.64	2.92	-49.30
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753246	0	32	-1.0	-47.82	299.20	4.95	-42.87
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1C	REAL300007753247	0	37	-1.0	-56.52	312.99	6.34	-50.18
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753248	0	38	-1.0	-54.99	338.65	1.88	-53.11
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300007753249	0	41	-1.0	-54.50	371.65	1.28	-53.22
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753250	0	37	-1.0	-54.55	339.78	-0.37	-54.92
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753251	0	37	-1.0	-54.71	322.05	1.81	-52.90
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300007753252	0	32	-1.0	-50.27	299.88	4.80	-45.47
COC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1F	REAL300007753253	0	33	-1.0	-50.15	298.38	2.80	-47.35
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300007753254	0	39	-1.0	-51.90	336.87	6.84	-45.06
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300007753255	0	32	-1.0	-50.07	320.45	5.19	-44.88
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)S2)=CS1	REAL300007753256	0	35	-1.0	-50.24	342.60	4.01	-46.23
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300007753257	0	49	-1.0	-48.90	397.73	7.08	-41.82
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753258	0	37	-1.0	-55.43	324.21	4.73	-50.70
CNC(=O)C1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CN1C	REAL300007753259	0	37	-1.0	-53.91	327.34	1.10	-52.81
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300007753260	0	39	-1.0	-49.18	318.66	4.31	-44.87
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300007753261	0	40	-1.0	-50.80	347.38	7.58	-43.22
COC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300007753262	0	39	-1.0	-48.55	327.48	4.39	-44.16
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300007753263	0	37	-1.0	-50.44	307.35	4.59	-45.85
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300007753264	0	34	-1.0	-53.88	299.59	3.99	-49.89
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)=C2	REAL300007753265	0	42	-1.0	-52.83	362.95	7.29	-45.54
CCN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007753266	0	34	-1.0	-59.10	313.22	4.33	-54.77
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300007753267	0	36	-1.0	-51.99	333.59	4.11	-47.88
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300007753268	0	43	-1.0	-51.43	373.93	6.70	-44.73
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753269	0	37	-1.0	-57.47	325.76	4.69	-52.78
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300007753270	0	39	-1.0	-52.25	349.14	5.02	-47.23
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753271	0	51	-1.0	-48.59	398.30	6.33	-42.26
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753272	0	37	-1.0	-55.71	336.74	0.17	-55.54
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(S(=O)(=O)N3CCCC3)=C2)C1	REAL300007753273	0	44	-1.0	-56.17	385.09	2.59	-53.58
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300007753274	0	42	-1.0	-50.98	354.33	6.10	-44.88
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753275	0	39	-1.0	-50.92	334.73	4.82	-46.10
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300007753276	0	34	-1.0	-60.16	311.46	3.64	-56.52
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300007753277	0	36	-1.0	-52.50	323.73	4.58	-47.92
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753278	0	43	-1.0	-51.24	370.01	3.92	-47.32
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753279	0	45	-1.0	-49.89	378.48	6.01	-43.88
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300007753280	0	39	-1.0	-48.43	318.80	6.14	-42.29
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300007753281	0	35	-1.0	-53.40	311.06	5.22	-48.18
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300007753282	0	33	-1.0	-48.71	319.09	4.89	-43.82
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300007753283	0	37	-1.0	-57.82	326.26	4.68	-53.14
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300007753284	0	35	-1.0	-61.11	306.47	-0.14	-61.25
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300007753285	0	34	-1.0	-55.61	311.44	3.63	-51.98
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300007753286	0	39	-1.0	-49.68	329.25	4.57	-45.11
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753287	0	37	-1.0	-55.54	339.32	-0.41	-55.95
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300007753288	0	33	-1.0	-52.12	301.61	3.49	-48.63
CSC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753289	0	33	-1.0	-49.14	303.36	4.48	-44.66
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300007753290	0	35	-1.0	-54.40	325.16	5.13	-49.27
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753291	0	40	-1.0	-49.46	331.55	5.18	-44.28
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300007753292	0	35	-1.0	-51.94	306.03	3.08	-48.86
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=NC=CC=C23)C1	REAL300007753293	0	34	-1.0	-51.20	299.29	3.92	-47.28
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300007753294	0	41	-1.0	-51.57	356.85	5.45	-46.12
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(F)(F)F	REAL300007753295	0	35	-1.0	-49.86	317.09	4.94	-44.92
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300007753296	0	35	-1.0	-49.70	336.00	4.19	-45.51
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300007753297	0	38	-1.0	-52.33	328.03	5.05	-47.28
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C12	REAL300007753298	0	37	-1.0	-51.97	329.48	3.18	-48.79
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753299	0	36	-1.0	-53.81	331.31	4.03	-49.78
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2O1	REAL300007753300	0	40	-1.0	-54.15	340.99	4.66	-49.49
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300007753301	0	32	-1.0	-53.03	299.80	4.58	-48.45
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300007753302	0	41	-1.0	-63.87	359.78	1.96	-61.91
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007753303	0	36	-1.0	-51.13	332.98	3.97	-47.16
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300007753304	0	37	-1.0	-50.25	341.40	3.19	-47.06
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(COCC(F)(F)C(F)F)=C2)C1	REAL300007753305	0	42	-1.0	-55.61	384.26	5.64	-49.97
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300007753306	0	37	-1.0	-54.95	325.07	4.09	-50.86
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300007753307	0	32	-1.0	-52.34	313.42	5.03	-47.31
CC1CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C2O1	REAL300007753308	0	37	-1.0	-49.75	320.17	4.08	-45.67
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753309	0	41	-1.0	-48.51	319.86	6.69	-41.82
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753310	0	41	-1.0	-52.25	350.60	2.41	-49.84
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300007753311	0	40	-1.0	-48.91	370.28	6.91	-42.00
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300007753312	0	35	-1.0	-52.86	329.58	4.13	-48.73
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300007753313	0	35	-1.0	-49.41	346.32	4.64	-44.77
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)=CO1	REAL300007753314	0	38	-1.0	-54.03	339.56	2.52	-51.51
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007753315	0	32	-1.0	-54.58	302.15	2.37	-52.21
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300007753316	0	37	-1.0	-49.80	316.84	4.09	-45.71
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=N2)C=C1	REAL300007753317	0	39	-1.0	-52.95	345.19	5.25	-47.70
CC1CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300007753318	0	37	-1.0	-50.45	336.48	4.52	-45.93
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007753319	0	34	-1.0	-49.24	307.41	4.64	-44.60
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300007753320	0	40	-1.0	-55.33	350.89	4.22	-51.11
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300007753321	0	31	-1.0	-50.59	295.16	2.94	-47.65
CC1=CC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2C=C1	REAL300007753322	0	38	-1.0	-51.06	329.92	6.35	-44.71
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300007753323	0	34	-1.0	-58.46	309.77	3.49	-54.97
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300007753324	0	35	-1.0	-50.79	325.21	5.49	-45.30
CN1CCCC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C21	REAL300007753325	0	41	-1.0	-49.62	337.63	4.02	-45.60
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300007753326	0	31	-1.0	-48.94	297.89	2.69	-46.25
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753327	0	37	-1.0	-53.91	315.62	4.00	-49.91
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753328	0	37	-1.0	-50.57	321.61	5.52	-45.05
CC1=CC=C(C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300007753329	0	37	-1.0	-54.09	320.04	6.69	-47.40
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007753330	0	37	-1.0	-49.69	322.03	5.53	-44.16
COC1=CC=C(CCS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753331	0	39	-1.0	-52.02	337.99	4.27	-47.75
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300007753332	0	38	-1.0	-49.15	336.22	5.10	-44.05
COC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC(OC)=C1	REAL300007753333	0	37	-1.0	-51.97	321.62	2.04	-49.93
CC1=CC2=C(C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)OCO2	REAL300007753334	0	35	-1.0	-50.29	303.88	2.99	-47.30
COC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300007753335	0	33	-1.0	-49.57	308.18	3.28	-46.29
CN1C=NC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300007753336	0	35	-1.0	-55.25	311.45	4.81	-50.44
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007753337	0	37	-1.0	-57.33	312.15	5.03	-52.30
CC1=NC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2O1	REAL300007753338	0	34	-1.0	-51.76	306.80	1.12	-50.64
CCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1CC	REAL300007753339	0	41	-1.0	-48.75	340.20	6.02	-42.73
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753340	0	37	-1.0	-47.78	316.93	5.63	-42.15
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753341	0	39	-1.0	-51.88	326.68	5.23	-46.65
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753342	0	30	-1.0	-47.33	285.36	1.34	-45.99
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300007753343	0	35	-1.0	-57.04	312.02	4.91	-52.13
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC(C)=C1F	REAL300007753344	0	35	-1.0	-48.70	309.69	4.77	-43.93
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300007753345	0	36	-1.0	-55.24	318.64	3.18	-52.06
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300007753346	0	42	-1.0	-52.66	363.99	5.02	-47.64
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CNC3=CC=CC(F)=C23)C1	REAL300007753347	0	33	-1.0	-57.22	301.68	3.53	-53.69
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300007753348	0	31	-1.0	-55.21	294.44	2.85	-52.36
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300007753349	0	32	-1.0	-50.61	303.70	4.70	-45.91
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Cl	REAL300007753350	0	32	-1.0	-47.73	298.66	4.56	-43.17
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300007753351	0	35	-1.0	-56.20	310.82	4.40	-51.80
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)=N1	REAL300007753352	0	38	-1.0	-50.53	349.39	4.93	-45.60
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300007753353	0	37	-1.0	-51.75	315.43	4.64	-47.11
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300007753354	0	36	-1.0	-57.68	327.85	1.29	-56.39
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300007753355	0	38	-1.0	-52.63	324.91	3.81	-48.82
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300007753356	0	32	-1.0	-51.99	306.29	4.64	-47.35
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753357	0	54	-1.0	-49.63	442.97	8.35	-41.28
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753358	0	39	-1.0	-49.02	356.14	5.56	-43.46
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753359	0	42	-1.0	-49.19	353.22	5.13	-44.06
COC(CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCCC1	REAL300007753360	0	42	-1.0	-53.02	335.43	3.79	-49.23
COC(CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)C1CCCCC1	REAL300007753361	0	45	-1.0	-52.30	355.78	4.19	-48.11
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300007753362	0	43	-1.0	-52.21	380.61	6.82	-45.39
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007753363	0	48	-1.0	-49.50	394.20	6.47	-43.03
CCC1=NC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CN1CC1CC1	REAL300007753364	0	42	-1.0	-54.55	355.76	5.34	-49.21
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300007753365	0	32	-1.0	-49.25	302.99	2.95	-46.30
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300007753366	0	37	-1.0	-51.88	326.33	5.90	-45.98
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300007753367	0	42	-1.0	-49.91	365.66	5.78	-44.13
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753368	0	32	-1.0	-47.79	299.99	1.98	-45.81
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300007753369	0	40	-1.0	-50.66	363.76	7.56	-43.10
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300007753370	0	39	-1.0	-52.67	329.30	6.86	-45.81
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC(C)=C1OCC1=CC=CC=C1	REAL300007753371	0	49	-1.0	-50.97	415.73	8.22	-42.75
CCC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(C)C=C1OC	REAL300007753372	0	42	-1.0	-49.74	349.82	5.02	-44.72
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300007753373	0	35	-1.0	-47.84	334.38	5.33	-42.51
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300007753374	1	31	-1.0	-54.95	286.04	2.28	-52.67
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300007753375	0	38	-1.0	-50.01	313.36	6.53	-43.48
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300007753376	0	38	-1.0	-49.67	331.96	1.96	-47.71
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753377	0	33	-1.0	-51.37	297.60	3.48	-47.89
CCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007753378	0	45	-1.0	-49.73	372.70	5.67	-44.06
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300007753379	0	41	-1.0	-48.14	341.36	5.72	-42.42
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300007753380	0	48	-1.0	-53.02	388.23	7.94	-45.08
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753381	0	39	-1.0	-48.89	319.31	3.40	-45.49
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300007753382	0	41	-1.0	-48.92	332.46	3.69	-45.23
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300007753383	0	39	-1.0	-50.63	330.63	3.81	-46.82
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753384	0	32	-1.0	-48.14	294.57	2.27	-45.87
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753385	0	36	-1.0	-54.24	321.00	3.58	-50.66
C=CCCC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753386	0	39	-1.0	-48.70	340.37	6.24	-42.46
CCCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007753387	0	51	-1.0	-49.67	415.61	7.25	-42.42
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300007753388	0	33	-1.0	-50.27	311.80	5.16	-45.11
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)(C)C	REAL300007753389	0	51	-1.0	-48.74	407.18	7.18	-41.56
CCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1CC	REAL300007753390	0	45	-1.0	-49.69	377.30	5.94	-43.75
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753391	0	35	-1.0	-46.40	305.79	5.48	-40.92
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753392	0	35	-1.0	-49.86	324.08	5.37	-44.49
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300007753393	0	33	-1.0	-50.31	309.31	5.06	-45.25
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753394	0	45	-1.0	-52.21	376.48	6.20	-46.01
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300007753395	0	34	-1.0	-54.59	299.38	4.01	-50.58
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=C2)C=C1	REAL300007753396	0	44	-1.0	-49.88	392.02	7.32	-42.56
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300007753397	0	39	-1.0	-49.68	327.79	3.72	-45.96
CC1(C)COC2=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=NN2C1	REAL300007753398	0	40	-1.0	-50.96	332.63	1.51	-49.45
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300007753399	0	35	-1.0	-50.22	330.05	4.35	-45.87
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007753400	0	54	-1.0	-49.64	437.11	8.03	-41.61
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300007753401	0	45	-1.0	-49.84	366.72	5.58	-44.26
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753402	0	39	-1.0	-49.76	337.40	4.84	-44.92
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C(C)C	REAL300007753403	0	52	-1.0	-51.93	428.18	5.89	-46.04
CC1CC2=CC=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=C2O1	REAL300007753404	0	37	-1.0	-52.50	320.06	4.04	-48.46
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)S1	REAL300007753405	0	37	-1.0	-48.90	331.91	3.11	-45.79
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300007753406	0	35	-1.0	-52.48	312.16	3.92	-48.56
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753407	0	34	-1.0	-58.17	304.99	3.03	-55.14
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CNC3=CC(Br)=CC=C23)C1	REAL300007753408	0	33	-1.0	-52.41	318.25	4.02	-48.39
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300007753409	0	32	-1.0	-49.72	302.01	4.89	-44.83
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=C1F	REAL300007753410	0	38	-1.0	-48.02	314.86	5.72	-42.30
COC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1OC	REAL300007753411	0	37	-1.0	-52.79	320.69	3.25	-49.54
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300007753412	0	42	-1.0	-51.97	352.16	4.33	-47.64
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753413	0	41	-1.0	-51.09	340.33	3.99	-47.10
CCCCN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)=N1	REAL300007753414	0	41	-1.0	-51.18	337.01	3.70	-47.48
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300007753415	0	33	-1.0	-51.87	301.92	3.00	-48.87
CN1N=NC2=C(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)C=CC=C21	REAL300007753416	0	34	-1.0	-61.42	307.81	1.83	-59.59
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1Br	REAL300007753417	0	35	-1.0	-48.93	317.39	5.52	-43.41
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300007753418	0	35	-1.0	-48.92	331.42	4.59	-44.33
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2CCC2)=N1	REAL300007753419	0	39	-1.0	-52.09	335.66	3.81	-48.28
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753420	0	47	-1.0	-47.69	373.39	7.32	-40.37
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300007753421	0	35	-1.0	-49.59	334.39	5.33	-44.26
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300007753422	0	39	-1.0	-52.31	337.21	4.08	-48.23
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300007753423	0	33	-1.0	-49.60	296.35	4.23	-45.37
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300007753424	0	40	-1.0	-49.29	350.93	6.28	-43.01
COC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007753425	0	38	-1.0	-61.26	325.89	4.67	-56.59
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753426	0	38	-1.0	-47.61	307.70	3.16	-44.45
CC(C)(C)N1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300007753427	0	38	-1.0	-51.49	327.69	3.18	-48.31
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300007753428	0	34	-1.0	-48.73	313.86	3.23	-45.50
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300007753429	0	32	-1.0	-46.90	308.61	4.54	-42.36
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753430	0	40	-1.0	-57.26	347.22	5.46	-51.80
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300007753431	0	40	-1.0	-49.97	332.85	6.49	-43.48
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300007753432	0	35	-1.0	-48.70	325.59	4.49	-44.21
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300007753433	0	36	-1.0	-54.58	316.27	1.81	-52.77
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753434	0	39	-1.0	-48.98	359.32	4.24	-44.74
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300007753435	0	29	-1.0	-51.43	282.49	3.82	-47.61
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300007753436	0	39	-1.0	-48.56	321.18	3.57	-44.99
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753437	0	38	-1.0	-48.92	323.21	3.34	-45.58
CN(C1CCCCCC1)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753438	0	43	-1.0	-47.64	332.12	4.43	-43.21
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300007753439	0	43	-1.0	-51.56	361.80	2.58	-48.98
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753440	0	35	-1.0	-50.96	315.88	4.95	-46.01
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300007753441	0	33	-1.0	-51.21	302.42	3.04	-48.17
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300007753442	0	44	-1.0	-48.57	358.70	6.13	-42.44
CC1=CC(C)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300007753443	0	40	-1.0	-55.94	331.94	5.92	-50.02
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300007753444	0	37	-1.0	-51.03	317.41	3.46	-47.57
CCOCC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753445	0	39	-1.0	-51.50	339.66	4.11	-47.39
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)C1	REAL300007753446	0	32	-1.0	-49.49	322.45	5.47	-44.02
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753447	0	39	-1.0	-49.65	335.87	4.20	-45.45
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300007753448	0	42	-1.0	-50.17	349.55	4.41	-45.76
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300007753449	0	40	-1.0	-49.11	351.83	6.31	-42.80
CC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC(C)=C1Br	REAL300007753450	0	35	-1.0	-47.77	320.86	5.20	-42.57
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=C(Br)C=CC=C3S2)C1	REAL300007753451	0	32	-1.0	-49.49	322.45	5.47	-44.02
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300007753452	0	38	-1.0	-51.60	321.88	6.36	-45.24
CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300007753453	0	39	-1.0	-54.40	339.41	4.98	-49.42
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300007753454	0	33	-1.0	-51.40	316.42	5.24	-46.16
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300007753455	0	33	-1.0	-49.07	316.35	5.28	-43.79
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300007753456	0	34	-1.0	-57.98	307.07	-2.65	-60.63
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300007753457	0	31	-1.0	-52.05	293.61	2.81	-49.24
CC1=NC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300007753458	0	38	-1.0	-52.30	336.29	2.35	-49.95
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300007753459	0	46	-1.0	-51.87	339.70	6.30	-45.57
CS(=O)(=O)CCCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753460	0	37	-1.0	-61.32	333.69	0.27	-61.05
CC1(C)CCC(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)OC1	REAL300007753461	0	42	-1.0	-54.20	336.92	3.79	-50.41
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300007753462	0	33	-1.0	-56.22	311.21	2.50	-53.72
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300007753463	0	39	-1.0	-55.37	344.63	6.28	-49.09
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300007753464	0	38	-1.0	-53.87	317.73	0.92	-52.95
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300007753465	0	42	-1.0	-49.35	330.80	5.47	-43.88
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300007753466	0	33	-1.0	-48.19	306.96	4.77	-43.42
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300007753467	0	51	-1.0	-48.52	392.74	7.63	-40.89
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753468	0	40	-1.0	-51.40	336.73	4.43	-46.97
COC1=CSC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1OC	REAL300007753469	0	34	-1.0	-50.23	313.03	2.21	-48.02
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300007753470	0	41	-1.0	-47.55	323.11	3.89	-43.66
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753471	0	40	-1.0	-49.30	342.10	5.25	-44.05
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300007753472	0	33	-1.0	-50.50	304.59	4.44	-46.06
COC1=CC(F)=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(F)=C1	REAL300007753473	0	33	-1.0	-49.58	300.00	2.99	-46.59
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300007753474	0	33	-1.0	-52.75	308.17	3.07	-49.68
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753475	0	35	-1.0	-50.41	306.64	3.34	-47.07
CN1C=CC2=CC(S(=O)(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)=CC=C21	REAL300007753476	0	36	-1.0	-53.28	316.40	5.19	-48.09
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300007753477	0	38	-1.0	-48.75	342.08	3.95	-44.80
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753478	0	42	-1.0	-51.98	353.06	5.73	-46.25
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300007753479	0	40	-1.0	-52.15	353.13	6.35	-45.80
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753480	0	35	-1.0	-55.49	300.09	5.44	-50.05
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300007753481	0	30	-1.0	-52.92	304.73	2.22	-50.70
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753482	0	40	-1.0	-52.07	346.39	5.05	-47.02
CCN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C2CC2)=N1	REAL300007753483	0	39	-1.0	-52.07	341.93	4.18	-47.89
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=NSN=C2C=C1	REAL300007753484	0	33	-1.0	-52.20	301.17	2.85	-49.35
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300007753485	0	35	-1.0	-49.01	325.80	6.24	-42.77
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300007753486	0	39	-1.0	-48.82	354.09	7.39	-41.43
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300007753487	0	28	-1.0	-51.77	290.50	1.44	-50.33
CCC1=CC(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300007753488	0	35	-1.0	-47.37	322.22	5.33	-42.04
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753489	0	42	-1.0	-47.89	344.74	4.42	-43.47
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753490	0	43	-1.0	-52.83	368.10	3.72	-49.11
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300007753491	0	35	-1.0	-50.86	321.74	6.32	-44.54
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753492	0	37	-1.0	-49.58	311.27	1.08	-48.50
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(Br)=C3OCCOC3=C2)C1	REAL300007753493	0	35	-1.0	-50.33	328.00	3.28	-47.05
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300007753494	0	44	-1.0	-50.13	365.06	3.84	-46.29
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753495	0	32	-1.0	-48.58	305.94	1.11	-47.47
COC1=NC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1C	REAL300007753496	0	35	-1.0	-49.41	310.44	0.89	-48.52
CC(C)CN1C=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=N1	REAL300007753497	0	38	-1.0	-50.73	326.11	3.62	-47.11
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753498	0	38	-1.0	-51.40	328.45	3.11	-48.29
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2CCN(CC(F)F)CC2)C1	REAL300007753499	0	39	-1.0	-51.84	318.10	0.65	-51.19
COCC1=CC(CS(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=NO1	REAL300007753500	0	35	-1.0	-54.80	317.56	1.34	-53.46
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)C1	REAL300007753501	0	34	-1.0	-49.37	314.56	5.62	-43.75
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)N=C1	REAL300007753502	0	40	-1.0	-49.65	335.57	3.84	-45.81
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=NN2C2=CC=CC=C2)C1	REAL300007753503	0	36	-1.0	-52.21	314.42	4.74	-47.47
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(C(F)F)C=N2)C1	REAL300007753504	0	31	-1.0	-52.28	293.25	2.46	-49.82
CC1=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=NN1C(C)C	REAL300007753505	0	38	-1.0	-49.85	326.43	3.25	-46.60
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007753506	0	43	-1.0	-49.28	372.94	7.06	-42.22
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=NC=CC3=CC=CC=C32)C1	REAL300007753507	0	34	-1.0	-53.86	299.83	3.95	-49.91
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)N2CC=C(Br)CC2)C1	REAL300007753508	0	32	-1.0	-47.82	294.58	3.18	-44.64
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753509	0	37	-1.0	-57.47	316.44	-0.88	-58.35
COC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C(F)F)=C1	REAL300007753510	0	36	-1.0	-50.04	310.66	3.28	-46.76
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753511	0	35	-1.0	-49.31	328.16	1.54	-47.77
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=NC3=CC=CC=C32)C1	REAL300007753512	0	34	-1.0	-50.72	299.80	3.90	-46.82
CCOC1=CC=CN=C1S(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007753513	0	35	-1.0	-54.92	305.94	2.77	-52.15
CC1=CC=C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C2=NC=CC=C12	REAL300007753514	0	37	-1.0	-54.93	312.15	5.21	-49.72
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC(C(F)F)=CC=N2)C1	REAL300007753515	0	31	-1.0	-55.79	293.47	2.50	-53.29
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CNC3=CC(C(F)(F)F)=CC=C23)C1	REAL300007753516	0	36	-1.0	-53.35	335.94	4.40	-48.95
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)=C1	REAL300007753517	0	42	-1.0	-50.41	338.93	5.37	-45.04
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(F)=C2)C1	REAL300007753518	0	35	-1.0	-52.19	293.01	5.51	-46.68
CC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753519	0	40	-1.0	-62.22	327.07	5.84	-56.38
CCC(C)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753520	0	47	-1.0	-49.39	365.42	8.06	-41.33
CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300007753521	0	35	-1.0	-50.87	299.91	5.27	-45.60
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)S2)C1	REAL300007753522	0	32	-1.0	-49.06	295.08	5.09	-43.97
COC1=CC=C(C)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753523	0	42	-1.0	-52.79	336.43	6.03	-46.76
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753524	0	38	-1.0	-50.87	317.30	6.59	-44.28
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C1	REAL300007753525	0	39	-1.0	-53.71	329.04	5.86	-47.85
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C1	REAL300007753526	0	41	-1.0	-57.29	347.42	2.99	-54.30
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)C1	REAL300007753527	0	39	-1.0	-46.86	334.65	5.37	-41.49
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1OC	REAL300007753528	0	46	-1.0	-53.16	354.73	5.15	-48.01
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753529	0	38	-1.0	-48.56	311.90	6.48	-42.08
CN(C1CCCCC1)S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753530	0	46	-1.0	-49.59	344.96	6.06	-43.53
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753531	0	41	-1.0	-53.32	316.56	4.27	-49.05
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)C1	REAL300007753532	0	51	-1.0	-49.12	388.58	9.28	-39.84
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OCCOC3=C2)C1	REAL300007753533	0	41	-1.0	-50.83	333.13	4.74	-46.09
CCC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753534	0	41	-1.0	-49.61	329.63	6.91	-42.70
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2Br)C1	REAL300007753535	0	35	-1.0	-49.50	296.36	5.82	-43.68
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(Br)=C2)C1	REAL300007753536	0	35	-1.0	-51.13	307.90	6.07	-45.06
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753537	0	40	-1.0	-61.08	322.62	7.98	-53.10
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=CC(Cl)=C2)C1	REAL300007753538	0	41	-1.0	-50.36	346.70	7.46	-42.90
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753539	0	45	-1.0	-59.44	368.03	2.01	-57.43
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753540	0	46	-1.0	-54.33	369.15	7.31	-47.02
CC1=CC(F)=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753541	0	38	-1.0	-50.87	315.85	6.31	-44.56
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OC2)C1	REAL300007753542	0	41	-1.0	-52.16	324.71	5.75	-46.41
COCC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753543	0	42	-1.0	-50.80	341.81	5.20	-45.60
CCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300007753544	0	41	-1.0	-48.31	337.09	3.21	-45.10
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)C1	REAL300007753545	0	44	-1.0	-63.47	371.77	3.68	-59.79
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCCS(C)(=O)=O)C1	REAL300007753546	0	40	-1.0	-63.09	333.70	1.48	-61.61
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)=C1C	REAL300007753547	0	45	-1.0	-51.03	341.04	5.88	-45.15
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=C(Br)C=C2)C1	REAL300007753548	0	38	-1.0	-51.07	329.74	6.81	-44.26
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CN=C3C=C2)C1	REAL300007753549	0	40	-1.0	-54.23	327.47	5.84	-48.39
CC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=NN1C	REAL300007753550	0	38	-1.0	-48.73	303.95	3.46	-45.27
CC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1	REAL300007753551	0	45	-1.0	-55.89	357.94	1.18	-54.71
CN(C1CCOCC1)S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753552	0	44	-1.0	-48.85	326.76	3.39	-45.46
CC1(C(=O)[O-])CCCN(S(=O)(=O)N2CC3CCC2C3)C1	REAL300007753553	0	41	-1.0	-50.31	316.36	5.18	-45.13
CC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=NN1C1=CC=CC=N1	REAL300007753554	0	44	-1.0	-52.82	355.59	6.49	-46.33
CCN1N=C(C)C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1C	REAL300007753555	0	44	-1.0	-53.46	345.55	5.48	-47.98
CC(C)N1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300007753556	0	41	-1.0	-48.80	331.71	4.56	-44.24
CC(C)CN1C=NC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753557	0	44	-1.0	-52.54	353.46	6.58	-45.96
CC(C)N1C=NC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753558	0	41	-1.0	-52.45	334.36	6.00	-46.45
CC(C)C1=NC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CN1	REAL300007753559	0	41	-1.0	-51.82	331.83	4.04	-47.78
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753560	0	47	-1.0	-50.21	344.08	8.53	-41.68
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753561	0	43	-1.0	-55.84	354.76	5.00	-50.84
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCCOC2)C1	REAL300007753562	0	42	-1.0	-52.06	322.72	4.35	-47.71
COC1=CC(Cl)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1OC	REAL300007753563	0	43	-1.0	-49.28	354.63	5.10	-44.18
CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1Br	REAL300007753564	0	38	-1.0	-47.85	328.15	6.78	-41.07
CC1=C(F)C=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753565	0	38	-1.0	-50.03	300.69	5.99	-44.04
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C1	REAL300007753566	0	41	-1.0	-49.35	331.87	7.71	-41.64
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C1	REAL300007753567	0	40	-1.0	-48.18	345.54	7.77	-40.41
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C1	REAL300007753568	0	39	-1.0	-51.58	334.13	5.23	-46.35
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C1	REAL300007753569	0	42	-1.0	-52.71	350.38	7.05	-45.66
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753570	0	50	-1.0	-49.03	385.01	6.98	-42.05
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C1	REAL300007753571	0	38	-1.0	-48.89	320.91	6.40	-42.49
COCC1=CC=C(OC)C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753572	0	46	-1.0	-53.98	370.09	5.08	-48.90
COC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753573	0	39	-1.0	-52.68	321.39	5.42	-47.26
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753574	0	46	-1.0	-54.18	373.65	5.71	-48.47
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C	REAL300007753575	0	46	-1.0	-53.78	380.51	2.55	-51.23
CC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007753576	0	53	-1.0	-48.83	372.09	7.20	-41.63
CC1=NC2=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=CC=C2C=C1	REAL300007753577	0	43	-1.0	-56.81	346.52	7.06	-49.75
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007753578	0	43	-1.0	-62.83	349.62	7.32	-55.51
CCN(CC1CC1)S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753579	0	43	-1.0	-48.97	327.28	5.68	-43.29
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007753580	0	46	-1.0	-49.93	365.16	4.12	-45.81
CCCN1C=NC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753581	0	41	-1.0	-52.69	336.24	6.37	-46.32
COCCOCCOCCS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753582	0	49	-1.0	-53.05	393.20	2.76	-50.29
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCOCC2CC2)C1	REAL300007753583	0	42	-1.0	-50.06	335.86	4.76	-45.30
CC(COC1CCCC1)CS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753584	0	51	-1.0	-51.35	385.54	6.79	-44.56
CCOCC(C)CS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753585	0	44	-1.0	-51.26	341.06	4.77	-46.49
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753586	0	42	-1.0	-48.83	356.59	5.90	-42.93
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007753587	0	43	-1.0	-51.81	347.51	3.39	-48.42
COC1=CC(Br)=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753588	0	39	-1.0	-49.44	338.82	5.50	-43.94
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007753589	0	39	-1.0	-51.75	330.93	5.70	-46.05
COC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007753590	0	41	-1.0	-50.06	342.09	6.19	-43.87
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753591	0	41	-1.0	-48.30	334.27	6.99	-41.31
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753592	0	41	-1.0	-51.75	335.07	6.98	-44.77
CC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007753593	0	41	-1.0	-47.63	343.08	7.09	-40.54
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753594	0	44	-1.0	-52.39	341.82	7.66	-44.73
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300007753595	0	47	-1.0	-51.97	358.40	2.41	-49.56
CCOC1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753596	0	42	-1.0	-50.07	340.01	5.81	-44.26
COCCN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300007753597	0	42	-1.0	-48.97	346.69	3.09	-45.88
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300007753598	0	42	-1.0	-55.77	351.07	6.01	-49.76
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007753599	0	43	-1.0	-55.02	358.29	7.63	-47.39
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300007753600	0	40	-1.0	-49.73	327.77	5.81	-43.92
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300007753601	0	38	-1.0	-52.93	330.25	6.80	-46.13
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300007753602	0	38	-1.0	-50.45	324.82	6.73	-43.72
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300007753603	0	42	-1.0	-68.85	352.63	3.45	-65.40
CC1=CC(Br)=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753604	0	38	-1.0	-50.17	330.73	6.86	-43.31
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753605	0	38	-1.0	-49.13	313.48	6.47	-42.66
COCC1=CC=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753606	0	42	-1.0	-49.77	327.92	5.24	-44.53
COC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300007753607	0	39	-1.0	-48.11	336.48	5.41	-42.70
COC1=CC(OC)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300007753608	0	43	-1.0	-53.16	360.39	5.23	-47.93
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300007753609	0	38	-1.0	-51.40	330.91	4.54	-46.86
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300007753610	0	38	-1.0	-51.01	326.02	4.33	-46.68
CC1(C)CC2=CC(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300007753611	0	46	-1.0	-50.86	365.48	6.84	-44.02
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300007753612	0	38	-1.0	-57.92	327.46	4.65	-53.27
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753613	0	46	-1.0	-54.35	370.80	4.54	-49.81
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753614	0	47	-1.0	-54.15	390.40	4.69	-49.46
CSC1=CC=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753615	0	39	-1.0	-53.48	316.05	6.16	-47.32
CCC1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753616	0	41	-1.0	-49.36	329.65	6.90	-42.46
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C1	REAL300007753617	0	43	-1.0	-53.58	367.62	2.36	-51.22
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753618	0	46	-1.0	-67.93	372.11	5.26	-62.67
CCC1=CC=C(CS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753619	0	44	-1.0	-52.02	351.37	7.62	-44.40
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300007753620	0	38	-1.0	-49.94	320.68	6.05	-43.89
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753621	0	44	-1.0	-54.13	368.93	3.89	-50.24
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753622	0	45	-1.0	-62.75	375.71	2.88	-59.87
CC1=CC=C(CS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C	REAL300007753623	0	44	-1.0	-52.71	346.90	7.37	-45.34
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007753624	0	49	-1.0	-53.55	396.85	8.64	-44.91
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300007753625	0	39	-1.0	-51.55	339.63	6.16	-45.39
CN(C1CCCC1)S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753626	0	43	-1.0	-48.12	327.60	5.45	-42.67
CC1(C)CN(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)CCO1	REAL300007753627	0	44	-1.0	-48.28	334.84	3.80	-44.48
CC1=NOC(CS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753628	0	37	-1.0	-55.24	309.39	4.47	-50.77
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2S1	REAL300007753629	0	49	-1.0	-50.61	401.01	7.53	-43.08
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)=CC=C21	REAL300007753630	0	47	-1.0	-51.66	378.74	7.12	-44.54
CCS(=O)(=O)NCCS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753631	0	42	-1.0	-56.35	348.58	0.19	-56.16
CC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300007753632	0	41	-1.0	-49.93	345.43	6.69	-43.24
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300007753633	0	38	-1.0	-50.00	343.67	7.52	-42.48
CC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300007753634	0	41	-1.0	-53.43	353.46	8.44	-44.99
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C1	REAL300007753635	0	38	-1.0	-48.70	336.06	7.21	-41.49
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300007753636	0	41	-1.0	-50.43	334.39	7.77	-42.66
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2CCCO2)C1	REAL300007753637	0	42	-1.0	-52.50	330.54	4.45	-48.05
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300007753638	0	41	-1.0	-50.92	347.71	7.25	-43.67
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300007753639	0	46	-1.0	-52.58	366.34	6.82	-45.76
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753640	0	48	-1.0	-57.39	393.26	7.00	-50.39
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300007753641	0	46	-1.0	-56.08	384.72	2.51	-53.57
CC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300007753642	0	44	-1.0	-52.82	356.94	8.56	-44.26
CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1N(C)C	REAL300007753643	0	46	-1.0	-49.05	363.26	6.23	-42.82
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300007753644	0	41	-1.0	-49.84	347.22	7.42	-42.42
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300007753645	0	40	-1.0	-54.29	322.00	2.31	-51.98
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300007753646	0	48	-1.0	-49.65	369.93	5.94	-43.71
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300007753647	0	42	-1.0	-52.32	341.54	5.80	-46.52
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC(S(C)(=O)=O)=C2)C1	REAL300007753648	0	44	-1.0	-63.55	369.66	3.70	-59.85
CSC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300007753649	0	39	-1.0	-51.71	343.87	7.05	-44.66
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753650	0	47	-1.0	-52.62	357.31	5.81	-46.81
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300007753651	0	43	-1.0	-53.00	359.17	4.16	-48.84
CCC1=NOC2=NC=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=C12	REAL300007753652	0	42	-1.0	-48.95	349.27	3.29	-45.66
CN1N=CC2=CC(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)=CN=C21	REAL300007753653	0	40	-1.0	-52.95	332.38	4.71	-48.24
CCC1=CC(CC)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(CC)=C1	REAL300007753654	0	53	-1.0	-47.12	375.66	9.07	-38.05
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300007753655	0	42	-1.0	-51.71	332.71	5.46	-46.25
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300007753656	0	41	-1.0	-48.43	356.66	3.67	-44.76
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300007753657	0	44	-1.0	-60.52	348.63	9.08	-51.44
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)=C1F	REAL300007753658	0	42	-1.0	-51.23	330.28	5.31	-45.92
CC1(CS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)CCCCC1	REAL300007753659	0	47	-1.0	-50.20	334.80	6.95	-43.25
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300007753660	0	44	-1.0	-50.00	339.83	6.69	-43.31
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300007753662	0	43	-1.0	-50.35	356.12	6.73	-43.62
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753663	0	42	-1.0	-48.60	360.50	5.82	-42.78
CC1=CC=C(CS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(F)=C1	REAL300007753664	0	41	-1.0	-51.27	339.13	7.01	-44.26
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300007753666	0	35	-1.0	-49.49	318.67	5.67	-43.82
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300007753667	0	48	-1.0	-51.65	377.45	8.89	-42.76
CC(C)(C)C1=CC(CS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=NO1	REAL300007753668	0	46	-1.0	-51.40	370.58	6.33	-45.07
CC(C)(C)CCCS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753669	0	46	-1.0	-50.45	346.79	6.39	-44.06
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300007753670	0	44	-1.0	-61.83	345.86	2.59	-59.24
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007753671	0	38	-1.0	-51.32	323.41	5.96	-45.36
CC1=C(CCS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)SC=N1	REAL300007753672	0	40	-1.0	-51.83	334.41	4.72	-47.11
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC23CCC(CC2)C3)C1	REAL300007753673	0	45	-1.0	-50.65	337.84	6.98	-43.67
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CC(F)(F)C2)C1	REAL300007753674	0	38	-1.0	-52.33	310.03	5.40	-46.93
COC1=CC=C2C=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)CCC2=C1	REAL300007753675	0	47	-1.0	-51.41	363.11	6.95	-44.46
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300007753676	0	48	-1.0	-50.57	342.64	7.49	-43.08
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2CCOC2)C1	REAL300007753677	0	42	-1.0	-52.85	327.95	4.09	-48.76
CC(C)(CCS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1)S(C)(=O)=O	REAL300007753678	0	46	-1.0	-65.45	357.97	2.56	-62.89
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300007753679	0	44	-1.0	-49.91	341.08	6.75	-43.16
CC1(C(=O)[O-])CCCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300007753680	0	42	-1.0	-49.79	338.72	7.71	-42.08
CCC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007753681	0	43	-1.0	-57.14	351.04	7.43	-49.71
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300007753682	0	35	-1.0	-47.75	303.47	5.99	-41.76
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300007753683	0	35	-1.0	-47.62	308.03	6.10	-41.52
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007753684	0	37	-1.0	-48.54	314.93	6.14	-42.40
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300007753685	0	41	-1.0	-51.66	334.59	7.87	-43.79
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300007753686	0	37	-1.0	-47.15	314.98	6.14	-41.01
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753687	0	40	-1.0	-55.69	324.29	6.63	-49.06
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753688	0	39	-1.0	-50.62	316.22	4.77	-45.85
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300007753689	0	37	-1.0	-63.40	289.42	6.27	-57.13
CCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753690	0	42	-1.0	-50.42	338.04	5.69	-44.73
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1C	REAL300007753691	0	47	-1.0	-48.95	340.09	7.80	-41.15
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300007753692	0	44	-1.0	-48.44	328.28	7.47	-40.97
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753693	0	50	-1.0	-51.49	372.21	8.29	-43.20
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300007753694	0	38	-1.0	-46.74	325.85	6.48	-40.26
CC1(C(=O)[O-])CCCN(S(=O)(=O)C=CC2=CC=CC=C2)C1	REAL300007753695	0	39	-1.0	-49.81	319.36	6.71	-43.10
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300007753696	0	38	-1.0	-53.60	317.16	7.04	-46.56
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300007753697	0	35	-1.0	-51.24	303.34	5.96	-45.28
CC(=O)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753698	0	40	-1.0	-55.09	327.15	5.87	-49.22
CC1=CC=C(C)C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753699	0	41	-1.0	-51.13	317.41	6.64	-44.49
CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C	REAL300007753700	0	41	-1.0	-50.58	327.07	6.78	-43.80
CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300007753701	0	41	-1.0	-50.94	316.62	6.64	-44.30
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007753702	0	41	-1.0	-58.62	344.15	6.32	-52.30
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753703	0	47	-1.0	-49.30	362.90	7.79	-41.51
CC(C)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753704	0	44	-1.0	-49.48	346.96	7.40	-42.08
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753705	0	46	-1.0	-52.25	382.24	3.47	-48.78
CCCC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753706	0	44	-1.0	-49.58	351.13	7.69	-41.89
COC1=CC=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753707	0	39	-1.0	-53.06	312.54	5.37	-47.69
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1Br	REAL300007753708	0	39	-1.0	-52.07	338.56	5.55	-46.52
CC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=C1Br	REAL300007753709	0	38	-1.0	-47.93	328.16	6.77	-41.16
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)=C1	REAL300007753710	0	49	-1.0	-50.35	396.83	8.99	-41.36
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007753711	0	39	-1.0	-46.89	332.71	5.26	-41.63
CC1=C(C)C(C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)=C1C	REAL300007753712	0	50	-1.0	-49.69	352.71	8.22	-41.47
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300007753713	0	44	-1.0	-50.24	351.48	5.54	-44.70
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753714	0	51	-1.0	-53.01	391.20	7.69	-45.32
CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007753715	0	40	-1.0	-48.35	332.85	6.77	-41.58
CC1=NNC(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753716	0	38	-1.0	-51.74	302.36	3.36	-48.38
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753717	0	39	-1.0	-51.92	336.31	5.98	-45.94
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753718	0	53	-1.0	-48.16	383.04	9.13	-39.03
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300007753719	0	38	-1.0	-47.69	325.44	6.47	-41.22
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300007753720	0	45	-1.0	-50.74	349.33	7.94	-42.80
COC1=CC=C(OC)C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753721	0	43	-1.0	-55.33	342.61	4.68	-50.65
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1OC	REAL300007753722	0	43	-1.0	-52.21	347.39	4.79	-47.42
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300007753723	0	42	-1.0	-51.20	333.57	7.50	-43.70
CC1=NOC(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753724	0	37	-1.0	-49.56	299.84	4.50	-45.06
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300007753725	0	43	-1.0	-50.04	333.62	7.65	-42.39
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300007753726	0	40	-1.0	-50.86	323.95	5.43	-45.43
CC(C)CCC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753727	0	50	-1.0	-49.51	390.20	8.98	-40.53
CCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1OCC	REAL300007753728	0	49	-1.0	-49.93	389.00	6.49	-43.44
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)C1	REAL300007753729	0	40	-1.0	-53.84	340.92	0.43	-53.41
CC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300007753730	0	43	-1.0	-47.04	347.65	7.17	-39.87
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1C	REAL300007753731	0	43	-1.0	-55.00	341.13	7.16	-47.84
CC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCCCCC2)C1	REAL300007753732	0	43	-1.0	-49.22	321.61	5.68	-43.54
CC1=CC2=CC=CC(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)=C2N=C1	REAL300007753733	0	43	-1.0	-59.86	346.64	7.14	-52.72
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300007753734	0	41	-1.0	-59.60	336.36	6.54	-53.06
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753735	0	39	-1.0	-49.87	329.29	5.91	-43.96
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)C1	REAL300007753736	0	40	-1.0	-53.08	340.96	0.43	-52.65
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753737	0	43	-1.0	-52.49	357.84	7.14	-45.35
CC1(C(=O)[O-])CCCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300007753738	0	44	-1.0	-49.43	345.37	6.88	-42.55
CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC=CN=C12	REAL300007753739	0	43	-1.0	-51.82	339.81	6.53	-45.29
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C	REAL300007753740	0	43	-1.0	-49.62	340.02	7.83	-41.79
CC1CCN(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)CC1	REAL300007753741	0	43	-1.0	-48.77	328.35	5.38	-43.39
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753742	0	46	-1.0	-52.01	383.09	3.43	-48.58
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300007753743	0	47	-1.0	-53.06	372.89	4.81	-48.25
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)C1	REAL300007753744	0	41	-1.0	-55.15	347.47	2.99	-52.16
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300007753745	0	45	-1.0	-50.76	357.70	9.23	-41.53
CC1CC(C)CN(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C1	REAL300007753746	0	46	-1.0	-48.60	340.42	6.03	-42.57
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300007753747	0	41	-1.0	-54.66	324.68	7.60	-47.06
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300007753748	0	45	-1.0	-50.90	360.86	8.88	-42.02
CC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753749	0	38	-1.0	-51.63	302.40	6.04	-45.59
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=CC=C12	REAL300007753750	0	49	-1.0	-52.22	378.09	7.44	-44.78
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300007753751	0	36	-1.0	-57.74	311.84	3.92	-53.82
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753752	0	39	-1.0	-52.04	331.74	5.87	-46.17
COC1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753753	0	39	-1.0	-50.22	318.16	4.88	-45.34
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753754	0	50	-1.0	-49.25	377.16	8.26	-40.99
CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300007753755	0	38	-1.0	-47.80	324.12	6.70	-41.10
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753756	0	45	-1.0	-48.95	355.99	6.32	-42.63
CCC1=CC=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753757	0	41	-1.0	-50.02	315.62	7.04	-42.98
CC1=NC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CN1C	REAL300007753758	0	38	-1.0	-53.83	311.59	4.49	-49.34
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300007753759	0	38	-1.0	-52.94	325.69	6.70	-46.24
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300007753760	0	36	-1.0	-60.48	303.86	4.32	-56.16
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300007753761	0	40	-1.0	-54.96	347.67	8.40	-46.56
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300007753762	0	40	-1.0	-59.73	325.24	6.49	-53.24
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753763	0	41	-1.0	-48.76	343.20	6.04	-42.72
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1F	REAL300007753764	0	39	-1.0	-53.15	324.37	4.95	-48.20
CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1F	REAL300007753765	0	38	-1.0	-47.86	315.38	6.29	-41.57
CC1=CC=C(CS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753766	0	41	-1.0	-52.08	330.35	6.88	-45.20
CC1CCCCN1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753767	0	43	-1.0	-49.03	314.82	5.30	-43.73
CCCN(CCC)S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753768	0	45	-1.0	-49.87	350.27	6.02	-43.85
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007753769	0	51	-1.0	-51.53	387.00	8.32	-43.21
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300007753770	0	38	-1.0	-50.21	340.39	7.15	-43.06
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007753771	0	45	-1.0	-51.84	345.81	6.64	-45.20
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753772	0	40	-1.0	-48.66	324.27	6.62	-42.04
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753773	0	40	-1.0	-53.66	320.24	6.57	-47.09
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753774	0	43	-1.0	-57.32	343.85	7.71	-49.61
CC(C)CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753775	0	47	-1.0	-49.72	367.91	8.16	-41.56
COCCC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753776	0	45	-1.0	-49.92	363.31	5.98	-43.94
COCCN(CCOC)S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753777	0	47	-1.0	-49.05	367.74	2.89	-46.16
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753778	0	38	-1.0	-50.92	312.73	6.48	-44.44
COC1=C(C)C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C	REAL300007753779	0	45	-1.0	-49.99	362.28	6.47	-43.52
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753780	0	51	-1.0	-49.90	398.60	7.79	-42.11
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300007753781	0	49	-1.0	-48.77	381.69	7.67	-41.10
CC(C)COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753782	0	48	-1.0	-50.03	379.64	7.19	-42.84
CCCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753783	0	45	-1.0	-50.06	359.54	6.49	-43.57
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1Cl	REAL300007753784	0	39	-1.0	-52.12	334.18	5.44	-46.68
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300007753785	0	39	-1.0	-50.95	343.93	5.71	-45.24
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C	REAL300007753786	0	42	-1.0	-50.85	338.23	5.62	-45.23
CC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300007753787	0	48	-1.0	-50.53	378.00	7.17	-43.36
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300007753788	0	42	-1.0	-49.22	323.89	5.21	-44.01
COCCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753789	0	46	-1.0	-52.71	371.66	4.96	-47.75
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300007753790	0	38	-1.0	-51.55	313.42	6.20	-45.35
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753791	0	38	-1.0	-48.50	316.46	6.58	-41.92
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1C	REAL300007753792	0	43	-1.0	-48.05	329.07	7.55	-40.50
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753793	0	44	-1.0	-61.86	356.76	3.49	-58.37
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753794	0	43	-1.0	-52.29	363.35	1.64	-50.65
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753795	0	43	-1.0	-66.66	343.69	3.24	-63.42
CC1=NC(C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300007753796	0	37	-1.0	-50.00	317.18	4.08	-45.92
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300007753797	0	38	-1.0	-49.41	315.16	6.54	-42.87
COC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=C1F	REAL300007753798	0	39	-1.0	-48.48	322.28	4.82	-43.66
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300007753799	0	45	-1.0	-49.95	360.95	8.89	-41.06
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300007753800	0	38	-1.0	-50.51	341.94	7.19	-43.32
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCCCC2)C1	REAL300007753801	0	44	-1.0	-50.23	327.87	6.59	-43.64
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)S2)=CS1	REAL300007753802	0	41	-1.0	-50.93	368.09	6.14	-44.79
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300007753803	0	55	-1.0	-50.13	421.31	9.09	-41.04
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753804	0	43	-1.0	-55.22	340.66	7.12	-48.10
CNC(=O)C1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CN1C	REAL300007753805	0	43	-1.0	-53.45	352.54	3.24	-50.21
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300007753806	0	45	-1.0	-48.09	336.17	6.10	-41.99
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300007753807	0	46	-1.0	-51.93	372.24	9.70	-42.23
COC1=CC(C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C	REAL300007753808	0	45	-1.0	-51.87	344.58	5.95	-45.92
CC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300007753809	0	43	-1.0	-51.95	326.20	6.37	-45.58
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300007753810	0	40	-1.0	-52.61	319.78	5.82	-46.79
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1)=C2	REAL300007753811	0	48	-1.0	-53.12	387.82	9.41	-43.71
CCN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007753812	0	40	-1.0	-56.94	340.15	6.32	-50.62
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300007753813	0	42	-1.0	-52.37	357.63	6.15	-46.22
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300007753814	0	49	-1.0	-51.63	397.96	8.74	-42.89
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753815	0	43	-1.0	-53.98	351.74	6.85	-47.13
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300007753816	0	45	-1.0	-49.61	372.92	7.04	-42.57
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300007753817	0	38	-1.0	-57.41	303.49	4.23	-53.18
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753818	0	57	-1.0	-50.26	428.56	8.60	-41.66
CC1=CC=CC(CS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753819	0	41	-1.0	-52.22	330.36	6.86	-45.36
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C=C2)C1	REAL300007753820	0	43	-1.0	-52.78	364.03	2.10	-50.68
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300007753821	0	38	-1.0	-53.81	315.36	6.26	-47.55
CC1=CC=CC=C1CS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753822	0	41	-1.0	-51.70	326.74	6.95	-44.75
CCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007753823	0	48	-1.0	-52.86	374.83	7.86	-45.00
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753824	0	45	-1.0	-52.54	358.36	6.96	-45.58
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300007753825	0	40	-1.0	-65.49	336.99	5.75	-59.74
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300007753826	0	42	-1.0	-51.16	348.59	6.71	-44.45
CCOCCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753827	0	49	-1.0	-52.76	393.52	5.93	-46.83
CCCCCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753828	0	51	-1.0	-49.95	402.54	8.05	-41.90
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300007753829	0	45	-1.0	-50.86	335.84	7.75	-43.11
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300007753830	0	41	-1.0	-50.70	337.03	7.40	-43.30
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300007753831	0	39	-1.0	-46.53	343.11	6.93	-39.60
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300007753832	0	40	-1.0	-49.78	324.05	4.89	-44.89
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300007753833	0	43	-1.0	-56.15	352.35	6.85	-49.30
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300007753834	0	41	-1.0	-60.54	329.94	1.99	-58.55
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300007753835	0	40	-1.0	-57.93	334.99	5.65	-52.28
CCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)=C1	REAL300007753836	0	45	-1.0	-49.03	345.75	6.14	-42.89
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753837	0	43	-1.0	-52.20	363.38	1.64	-50.56
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300007753838	0	39	-1.0	-50.58	322.34	5.68	-44.90
CSC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753839	0	39	-1.0	-50.34	326.92	6.49	-43.85
CCCCCCCS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753840	0	46	-1.0	-50.26	356.50	7.07	-43.19
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300007753841	0	41	-1.0	-54.20	348.01	7.20	-47.00
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753842	0	46	-1.0	-49.77	348.38	7.25	-42.52
CCN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)N=C1C	REAL300007753843	0	41	-1.0	-53.37	333.60	5.39	-47.98
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300007753844	0	41	-1.0	-52.79	327.90	5.20	-47.59
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300007753845	0	40	-1.0	-51.76	319.69	5.70	-46.06
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2CCCCO2)C1	REAL300007753846	0	42	-1.0	-51.43	325.50	4.81	-46.62
CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300007753847	0	41	-1.0	-47.52	343.08	7.10	-40.42
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300007753848	0	41	-1.0	-48.85	360.88	6.35	-42.50
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300007753849	0	44	-1.0	-49.61	351.42	7.06	-42.55
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=C12	REAL300007753850	0	43	-1.0	-50.23	354.35	5.29	-44.94
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753851	0	42	-1.0	-52.71	357.35	6.19	-46.52
COCC1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753852	0	42	-1.0	-50.96	343.72	5.30	-45.66
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)=C2O1	REAL300007753853	0	46	-1.0	-52.45	349.31	6.36	-46.09
CCN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300007753854	0	38	-1.0	-49.17	313.02	4.04	-45.13
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300007753855	0	38	-1.0	-50.70	321.58	6.62	-44.08
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007753856	0	42	-1.0	-50.89	354.45	5.98	-44.91
CC(C1CC1)N(C)S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753857	0	43	-1.0	-49.27	329.48	5.56	-43.71
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300007753858	0	43	-1.0	-50.01	346.07	5.79	-44.22
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300007753859	0	38	-1.0	-52.06	335.53	7.07	-44.99
CC1CC2=CC(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)=CC=C2O1	REAL300007753860	0	43	-1.0	-50.92	344.87	6.18	-44.74
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753861	0	47	-1.0	-48.23	332.45	7.86	-40.37
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753862	0	47	-1.0	-55.72	362.14	3.78	-51.94
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300007753863	0	41	-1.0	-56.66	354.45	6.27	-50.39
CC1=NC(C2=CC=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)=CO1	REAL300007753864	0	44	-1.0	-56.19	364.83	4.64	-51.55
CN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007753865	0	38	-1.0	-57.74	316.39	4.00	-53.74
CC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C(C)O1	REAL300007753866	0	38	-1.0	-51.86	298.03	4.66	-47.20
CC1=CSC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753867	0	35	-1.0	-50.42	302.50	5.27	-45.15
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300007753868	0	38	-1.0	-54.61	317.00	5.89	-48.72
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300007753869	0	38	-1.0	-49.16	314.07	4.25	-44.91
COC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300007753870	0	38	-1.0	-48.50	315.23	2.28	-46.22
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3CCCN23)C1	REAL300007753871	0	39	-1.0	-55.12	316.02	5.03	-50.09
CC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)SC=C1	REAL300007753872	0	35	-1.0	-50.48	299.46	5.28	-45.20
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300007753873	0	43	-1.0	-51.12	342.35	6.21	-44.91
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300007753874	0	42	-1.0	-50.44	323.82	7.09	-43.35
CC1=CC=C(N2C=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=N2)C=C1	REAL300007753875	0	45	-1.0	-53.65	369.99	7.37	-46.28
CC1CC2=CC(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300007753876	0	43	-1.0	-52.27	360.37	6.56	-45.71
CC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007753877	0	40	-1.0	-47.90	332.85	6.76	-41.14
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300007753878	0	46	-1.0	-53.90	375.76	6.33	-47.57
CC1=NN(C)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753879	0	38	-1.0	-52.34	307.14	3.78	-48.56
CC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)N(C)N=C1	REAL300007753880	0	38	-1.0	-48.02	298.27	3.72	-44.30
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300007753881	0	37	-1.0	-51.55	320.05	5.07	-46.48
CN(C)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753882	0	43	-1.0	-51.22	338.18	5.87	-45.35
CC1=CC2=CC=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2C=C1	REAL300007753883	0	44	-1.0	-51.21	353.78	8.38	-42.83
COC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)SC=C1	REAL300007753884	0	36	-1.0	-53.99	309.03	4.59	-49.40
CN(C)C1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753885	0	43	-1.0	-51.00	340.14	5.98	-45.02
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300007753886	0	40	-1.0	-55.33	323.08	5.41	-49.92
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300007753887	0	40	-1.0	-58.77	335.81	5.65	-53.12
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300007753888	0	40	-1.0	-50.61	323.84	5.43	-45.18
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300007753889	0	41	-1.0	-51.15	346.71	7.46	-43.69
CN1CCCC2=CC=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=C21	REAL300007753890	0	47	-1.0	-51.07	362.84	6.10	-44.97
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300007753891	0	37	-1.0	-46.96	323.55	4.91	-42.05
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753892	0	43	-1.0	-54.66	340.39	5.96	-48.70
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753893	0	43	-1.0	-47.86	340.95	7.14	-40.72
CC1=CC=C(C)C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300007753894	0	43	-1.0	-63.72	336.30	8.29	-55.43
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007753895	0	43	-1.0	-56.11	340.57	7.20	-48.91
COC1=CC=C(CCS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753896	0	45	-1.0	-52.25	359.57	6.26	-45.99
COC1=CN=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753897	0	38	-1.0	-50.76	313.49	3.09	-47.67
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300007753898	0	44	-1.0	-50.98	361.92	7.26	-43.72
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300007753899	0	42	-1.0	-49.54	335.92	7.57	-41.97
COC1=CC(OC)=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753900	0	43	-1.0	-52.54	347.69	4.20	-48.34
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2CCCCC2)C1	REAL300007753901	0	47	-1.0	-50.66	350.76	7.12	-43.54
CC1=CC=C(CCS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753902	0	44	-1.0	-51.20	351.47	7.63	-43.57
CC1=CC2=C(C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1)OCO2	REAL300007753903	0	41	-1.0	-47.71	320.41	4.58	-43.13
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300007753904	0	38	-1.0	-55.84	315.83	5.88	-49.96
COC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300007753905	0	39	-1.0	-48.13	332.09	5.30	-42.83
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCC2CCCC2)C1	REAL300007753906	0	44	-1.0	-50.02	334.74	6.57	-43.45
CN1C=NC2=CC(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)=CC=C21	REAL300007753907	0	41	-1.0	-59.85	336.29	6.92	-52.93
CC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007753908	0	43	-1.0	-59.72	336.27	7.03	-52.69
CC1=NC2=CC=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2O1	REAL300007753909	0	40	-1.0	-51.40	332.35	3.25	-48.15
CCC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1CC	REAL300007753910	0	47	-1.0	-49.70	363.62	8.01	-41.69
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753911	0	43	-1.0	-46.75	335.09	7.47	-39.28
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753912	0	45	-1.0	-54.24	347.75	7.11	-47.13
CC1=C(C)SC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753913	0	38	-1.0	-48.81	319.77	5.90	-42.91
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC(Cl)=CN=C2N)C1	REAL300007753914	0	36	-1.0	-46.05	306.70	3.46	-42.59
CC1=NC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300007753915	0	34	-1.0	-48.61	294.63	3.30	-45.31
CCC1=NC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300007753916	0	37	-1.0	-48.29	316.13	4.05	-44.24
CC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(N)=NO1	REAL300007753917	0	36	-1.0	-49.77	294.27	2.90	-46.87
CN(C)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300007753918	0	42	-1.0	-50.48	336.45	5.45	-45.03
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300007753919	0	38	-1.0	-50.41	321.60	6.12	-44.29
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300007753920	0	41	-1.0	-56.21	323.99	7.03	-49.18
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300007753921	0	38	-1.0	-50.51	309.15	4.08	-46.43
CC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC(C)=C1F	REAL300007753922	0	41	-1.0	-48.10	335.73	6.93	-41.17
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300007753923	0	42	-1.0	-52.08	344.64	5.34	-46.74
CC1(C(=O)[O-])CCCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300007753924	0	48	-1.0	-53.60	385.50	7.01	-46.59
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C1	REAL300007753925	0	39	-1.0	-54.26	319.22	5.35	-48.91
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300007753926	0	37	-1.0	-57.37	317.56	5.10	-52.27
CC1=NC(CS(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CS1	REAL300007753927	0	37	-1.0	-55.36	319.03	3.99	-51.37
COC(CS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1)C1CC1	REAL300007753928	0	42	-1.0	-52.92	327.92	5.00	-47.92
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300007753929	0	38	-1.0	-51.16	325.18	6.70	-44.46
CC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CC=C1Cl	REAL300007753930	0	38	-1.0	-48.06	324.12	6.68	-41.38
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300007753931	0	41	-1.0	-60.86	336.14	6.57	-54.29
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=C2)=N1	REAL300007753932	0	44	-1.0	-49.72	372.95	6.95	-42.77
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300007753933	0	43	-1.0	-53.44	336.81	6.79	-46.65
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300007753934	0	42	-1.0	-57.71	353.15	3.45	-54.26
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300007753935	0	44	-1.0	-51.67	348.57	5.96	-45.71
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300007753936	0	38	-1.0	-51.02	332.43	6.82	-44.20
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1	REAL300007753937	0	48	-1.0	-49.88	378.69	7.24	-42.64
COC(CS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1)C1CCCC1	REAL300007753938	0	48	-1.0	-50.83	358.02	5.82	-45.01
COC(CS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1)C1CCCCC1	REAL300007753939	0	51	-1.0	-51.93	380.65	6.66	-45.27
CC1(C)CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)CO1	REAL300007753940	0	42	-1.0	-49.48	327.91	4.15	-45.33
CCOC(CS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1)C1CC1	REAL300007753941	0	45	-1.0	-53.03	349.77	5.94	-47.09
CCCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300007753942	0	54	-1.0	-50.31	420.12	8.63	-41.68
CCC1=NC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=CN1CC1CC1	REAL300007753943	0	48	-1.0	-51.16	381.02	7.22	-43.94
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300007753944	0	38	-1.0	-49.42	328.67	5.11	-44.31
CC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300007753945	0	43	-1.0	-49.01	343.64	7.50	-41.51
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753946	0	42	-1.0	-48.15	334.19	5.53	-42.62
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300007753947	0	48	-1.0	-49.41	391.43	7.88	-41.53
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753948	0	38	-1.0	-47.70	330.01	4.22	-43.48
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300007753949	0	46	-1.0	-49.12	387.19	9.55	-39.57
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300007753950	0	45	-1.0	-55.94	348.69	8.71	-47.23
CCC1=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C(C)C=C1OC	REAL300007753951	0	48	-1.0	-51.54	367.22	6.73	-44.81
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=N1	REAL300007753952	0	37	-1.0	-60.64	313.44	4.47	-56.17
CC1=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300007753953	0	44	-1.0	-53.76	330.92	8.24	-45.52
CC(C)OC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=N1	REAL300007753954	0	44	-1.0	-48.50	357.22	4.14	-44.36
COC1=C(F)C=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753955	0	39	-1.0	-48.03	311.85	5.57	-42.46
CCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300007753956	0	51	-1.0	-50.71	398.61	7.83	-42.88
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1F	REAL300007753957	0	47	-1.0	-51.18	366.88	7.84	-43.34
CC1(C(=O)[O-])CCCN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300007753958	0	54	-1.0	-51.69	410.29	9.99	-41.70
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753959	0	45	-1.0	-49.32	346.75	5.69	-43.63
CN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300007753960	0	47	-1.0	-51.73	361.13	5.97	-45.76
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300007753961	0	45	-1.0	-52.14	355.43	5.93	-46.21
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753962	0	38	-1.0	-43.76	308.98	3.93	-39.83
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753963	0	42	-1.0	-52.93	347.03	5.74	-47.19
C=CCCC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1	REAL300007753964	0	45	-1.0	-49.52	363.95	8.25	-41.27
CCC1=NN(C)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753965	0	41	-1.0	-50.36	319.95	4.11	-46.25
CCCCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C(C)C	REAL300007753966	0	57	-1.0	-48.96	441.61	9.41	-39.55
CC1(C(=O)[O-])CCCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300007753967	0	39	-1.0	-49.92	336.09	7.23	-42.69
CCCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C(C)(C)C	REAL300007753968	0	57	-1.0	-49.06	432.67	9.30	-39.76
CCCOC1=CC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1CC	REAL300007753969	0	51	-1.0	-49.22	403.20	8.10	-41.12
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753970	0	41	-1.0	-46.26	323.51	7.31	-38.95
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753971	0	41	-1.0	-50.52	348.10	7.57	-42.95
CC1(C(=O)[O-])CCCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300007753972	0	39	-1.0	-49.75	333.05	7.09	-42.66
CCCC1=CC=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753973	0	44	-1.0	-49.17	333.53	7.58	-41.59
COC1=NC=CC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753974	0	38	-1.0	-50.58	305.59	2.66	-47.92
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753975	0	51	-1.0	-50.24	403.98	8.42	-41.82
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300007753976	0	40	-1.0	-52.40	320.00	5.85	-46.55
CC1=NC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)N1C	REAL300007753977	0	38	-1.0	-52.78	311.16	4.54	-48.24
CC1=CSC(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753978	0	38	-1.0	-48.88	306.87	6.05	-42.83
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300007753979	0	42	-1.0	-52.75	338.60	5.27	-47.48
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300007753980	0	42	-1.0	-47.94	326.47	5.00	-42.94
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300007753981	0	45	-1.0	-48.21	357.52	6.12	-42.09
CC1(C)COC2=C(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)C=NN2C1	REAL300007753982	0	46	-1.0	-53.13	363.06	3.60	-49.53
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300007753983	0	41	-1.0	-50.67	355.49	6.48	-44.19
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300007753984	0	42	-1.0	-53.38	329.54	5.70	-47.68
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C=C1C	REAL300007753985	0	51	-1.0	-51.00	376.79	6.94	-44.06
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753986	0	45	-1.0	-52.07	361.62	7.05	-45.02
CC1CC2=CC=CC(S(=O)(=O)N3CCCC(C)(C(=O)[O-])C3)=C2O1	REAL300007753987	0	43	-1.0	-56.11	344.15	6.18	-49.93
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)S1	REAL300007753988	0	43	-1.0	-48.34	354.89	5.13	-43.21
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300007753989	0	41	-1.0	-51.27	334.62	5.87	-45.40
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753990	0	40	-1.0	-61.14	328.71	5.19	-55.95
CCN1N=NC=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753991	0	37	-1.0	-49.35	302.77	2.87	-46.48
CC1(C(=O)[O-])CCCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300007753992	0	44	-1.0	-49.59	334.44	5.55	-44.04
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300007753993	0	36	-1.0	-49.30	302.90	4.36	-44.94
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300007753994	0	38	-1.0	-49.19	324.86	6.91	-42.28
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007753995	0	42	-1.0	-48.68	335.88	5.06	-43.62
CC1=CC(C)=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C)=C1F	REAL300007753996	0	44	-1.0	-50.41	331.31	7.41	-43.00
COC1=CC=CC(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)=C1OC	REAL300007753997	0	43	-1.0	-50.12	335.10	5.30	-44.82
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=COC3=CC=CC=C23)C1	REAL300007753998	0	38	-1.0	-50.75	311.02	5.56	-45.19
CN1C=C(S(=O)(=O)N2CCCC(C)(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300007753999	0	48	-1.0	-50.46	361.31	5.80	-44.66
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1	REAL300007754000	0	47	-1.0	-53.46	366.01	6.16	-47.30
COC1=CC=C(F)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754594	0	35	-1.0	-43.96	288.79	4.23	-39.73
CC1=C(Br)C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007754595	0	36	-1.0	-51.77	320.96	6.58	-45.19
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754596	0	42	-1.0	-48.54	343.85	4.67	-43.87
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C	REAL300007754597	0	42	-1.0	-60.83	349.67	1.80	-59.03
CN(C(C)(C)C(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007754598	0	49	-1.0	-58.17	344.43	6.45	-51.72
CC1=NC2=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=CC=C2C=C1	REAL300007754599	0	39	-1.0	-52.77	315.69	5.84	-46.93
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007754600	0	39	-1.0	-66.04	324.61	6.91	-59.13
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007754601	0	42	-1.0	-57.94	335.09	3.47	-54.47
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754602	0	45	-1.0	-45.57	376.16	5.46	-40.11
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754603	0	45	-1.0	-45.47	371.23	5.68	-39.79
COCCOCCOCCS(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754604	0	45	-1.0	-61.51	367.86	2.32	-59.19
CC(COC1CCCC1)CS(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754605	0	47	-1.0	-62.04	359.78	6.42	-55.62
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007754606	0	46	-1.0	-44.64	377.20	5.78	-38.86
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754607	0	38	-1.0	-56.20	325.70	5.15	-51.05
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007754608	0	39	-1.0	-55.72	315.17	2.64	-53.08
COC1=CC(Br)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754609	0	35	-1.0	-56.19	308.28	4.77	-51.42
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007754610	0	35	-1.0	-44.09	299.04	4.72	-39.37
COC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007754611	0	37	-1.0	-54.19	313.00	5.57	-48.62
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754612	0	37	-1.0	-39.21	306.38	5.94	-33.27
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754613	0	37	-1.0	-40.05	303.34	5.87	-34.18
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007754614	0	37	-1.0	-54.52	311.92	6.34	-48.18
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300007754615	0	43	-1.0	-62.54	333.47	2.00	-60.54
CCOC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754616	0	38	-1.0	-61.48	308.99	5.09	-56.39
COCCN1C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=N1	REAL300007754617	0	38	-1.0	-55.71	316.92	2.51	-53.20
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007754618	0	38	-1.0	-62.13	320.87	5.41	-56.72
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1C	REAL300007754619	0	58	-1.0	-49.07	440.08	8.90	-40.17
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1F	REAL300007754620	0	45	-1.0	-59.41	368.46	2.76	-56.65
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007754621	0	39	-1.0	-61.72	332.44	7.23	-54.49
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007754622	0	36	-1.0	-47.46	298.24	4.80	-42.66
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007754623	0	34	-1.0	-61.29	304.74	6.33	-54.96
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007754624	0	34	-1.0	-61.76	297.90	6.19	-55.57
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007754625	0	38	-1.0	-76.54	322.30	2.75	-73.79
CC1=CC(Br)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754626	0	34	-1.0	-55.74	300.19	6.13	-49.61
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754627	0	34	-1.0	-41.39	285.54	5.44	-35.95
COCC1=CC=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754628	0	38	-1.0	-50.57	297.94	4.16	-46.41
COC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1Br	REAL300007754629	0	35	-1.0	-54.85	307.40	4.80	-50.05
COC1=CC(OC)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Cl	REAL300007754630	0	39	-1.0	-45.18	326.45	4.02	-41.16
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007754631	0	34	-1.0	-56.94	301.14	3.97	-52.97
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007754632	0	34	-1.0	-59.04	296.32	3.75	-55.29
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007754633	0	42	-1.0	-58.10	334.97	6.10	-52.00
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007754634	0	34	-1.0	-52.93	296.01	3.36	-49.57
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754635	0	42	-1.0	-61.18	329.43	2.76	-58.42
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1I	REAL300007754636	0	34	-1.0	-58.30	302.83	6.47	-51.83
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754637	0	43	-1.0	-60.81	360.18	4.09	-56.72
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754638	0	48	-1.0	-63.90	394.24	4.54	-59.36
CSC1=CC=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754639	0	35	-1.0	-45.25	287.32	5.16	-40.09
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754640	0	48	-1.0	-66.42	399.41	3.38	-63.04
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007754641	0	39	-1.0	-60.77	336.25	1.60	-59.17
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])S1	REAL300007754642	0	45	-1.0	-64.50	393.34	2.60	-61.90
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(OC)=C1	REAL300007754643	0	46	-1.0	-49.34	382.37	1.72	-47.62
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(F)=C1	REAL300007754644	0	45	-1.0	-56.17	380.29	2.60	-53.57
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754645	0	45	-1.0	-58.88	375.66	2.67	-56.21
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754646	0	42	-1.0	-53.99	340.68	4.21	-49.78
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1F	REAL300007754647	0	45	-1.0	-59.42	379.22	3.29	-56.13
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007754648	0	46	-1.0	-61.20	361.52	5.41	-55.79
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1F	REAL300007754649	0	42	-1.0	-59.66	357.72	2.51	-57.15
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007754650	0	46	-1.0	-61.00	371.23	5.26	-55.74
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007754651	0	43	-1.0	-58.28	351.06	4.26	-54.02
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754652	0	40	-1.0	-62.31	339.65	3.25	-59.06
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754653	0	41	-1.0	-49.33	343.10	1.69	-47.64
CCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Br	REAL300007754654	0	38	-1.0	-55.70	329.24	5.72	-49.98
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007754655	0	45	-1.0	-60.99	365.38	7.87	-53.12
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007754656	0	35	-1.0	-43.97	309.37	5.17	-38.80
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007754657	0	37	-1.0	-56.51	336.99	2.99	-53.52
COC1=CC=C(Br)C(CS(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754658	0	38	-1.0	-62.57	329.64	5.58	-56.99
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007754659	0	45	-1.0	-45.94	370.10	6.38	-39.56
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754660	0	38	-1.0	-45.10	322.37	5.57	-39.53
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C21	REAL300007754661	0	43	-1.0	-46.21	347.90	5.98	-40.23
CCS(=O)(=O)NCCS(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754662	0	38	-1.0	-64.98	323.23	-0.24	-65.22
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007754663	0	37	-1.0	-57.26	311.68	6.18	-51.08
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007754664	0	34	-1.0	-55.76	313.34	6.91	-48.85
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007754665	0	37	-1.0	-52.96	316.46	6.82	-46.14
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007754666	0	34	-1.0	-44.01	304.70	6.04	-37.97
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007754667	0	37	-1.0	-46.99	310.30	6.98	-40.01
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007754668	0	37	-1.0	-59.93	317.51	6.65	-53.28
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007754669	0	42	-1.0	-61.92	340.82	6.34	-55.58
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007754670	0	45	-1.0	-44.09	369.25	7.76	-36.33
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007754671	0	44	-1.0	-63.68	364.91	6.41	-57.27
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007754672	0	42	-1.0	-66.91	359.70	2.07	-64.84
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007754673	0	40	-1.0	-52.58	319.28	6.89	-45.69
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1N(C)C	REAL300007754674	0	42	-1.0	-59.36	332.24	5.53	-53.83
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007754675	0	37	-1.0	-60.24	321.25	6.96	-53.28
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007754676	0	36	-1.0	-45.79	289.15	1.86	-43.93
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300007754677	0	44	-1.0	-57.88	344.42	5.47	-52.41
COC1=CC(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Cl	REAL300007754678	0	38	-1.0	-41.46	312.82	4.76	-36.70
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007754679	0	40	-1.0	-73.59	344.14	3.23	-70.36
CSC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Cl	REAL300007754680	0	35	-1.0	-55.62	312.68	6.30	-49.32
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754681	0	43	-1.0	-49.38	333.64	4.95	-44.43
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007754682	0	39	-1.0	-54.91	327.76	3.41	-51.50
CCC1=NOC2=NC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C12	REAL300007754683	0	38	-1.0	-55.50	318.90	2.55	-52.95
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007754684	0	42	-1.0	-54.27	354.16	4.66	-49.61
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007754685	0	36	-1.0	-57.36	301.90	3.95	-53.41
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007754686	0	37	-1.0	-50.52	322.78	7.19	-43.33
CCC1=CC(CC)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(CC)=C1	REAL300007754687	0	49	-1.0	-43.61	352.41	8.90	-34.71
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754688	1	46	-1.0	-50.68	371.46	1.73	-48.95
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007754689	0	38	-1.0	-66.11	307.32	5.13	-60.98
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007754690	0	37	-1.0	-54.51	326.14	2.90	-51.61
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007754691	0	40	-1.0	-61.24	321.93	7.39	-53.85
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=C1F	REAL300007754692	0	38	-1.0	-44.04	298.64	4.19	-39.85
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007754693	0	40	-1.0	-59.59	318.90	6.29	-53.30
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007754695	0	39	-1.0	-46.40	326.35	5.66	-40.74
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754696	0	38	-1.0	-57.19	329.28	5.08	-52.11
CC1=CC=C(CS(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(F)=C1	REAL300007754697	0	37	-1.0	-62.78	310.26	6.44	-56.34
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007754699	0	31	-1.0	-53.94	290.55	5.17	-48.77
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007754700	0	44	-1.0	-61.62	347.72	8.35	-53.27
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007754701	0	42	-1.0	-62.74	341.55	5.73	-57.01
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007754702	0	40	-1.0	-70.53	320.10	2.22	-68.31
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007754703	0	34	-1.0	-55.77	297.72	5.55	-50.22
CC1=C(CCS(=O)(=O)N(C)C(C)(C)C(=O)[O-])SC=N1	REAL300007754704	0	36	-1.0	-60.26	308.57	4.26	-56.00
COC1=CC=C2C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])CCC2=C1	REAL300007754705	0	43	-1.0	-51.26	341.43	6.11	-45.15
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300007754706	0	44	-1.0	-62.02	316.38	7.03	-54.99
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007754707	0	42	-1.0	-72.58	332.94	2.11	-70.47
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300007754708	0	40	-1.0	-58.15	313.20	6.17	-51.98
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C12	REAL300007754709	0	46	-1.0	-57.12	381.01	8.15	-48.97
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C12	REAL300007754710	0	50	-1.0	-56.94	399.16	5.63	-51.31
CCC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007754711	0	39	-1.0	-62.16	319.94	6.65	-55.51
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007754712	0	31	-1.0	-54.41	277.80	5.49	-48.92
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007754713	0	33	-1.0	-53.44	285.72	5.52	-47.92
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007754714	0	37	-1.0	-59.80	303.37	7.12	-52.68
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007754715	0	33	-1.0	-62.02	285.86	5.55	-56.47
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754716	0	36	-1.0	-41.03	292.50	5.52	-35.51
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007754717	0	33	-1.0	-56.97	269.50	5.24	-51.73
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754718	0	38	-1.0	-43.70	325.55	5.69	-38.01
CCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754719	0	38	-1.0	-58.05	308.82	5.07	-52.98
CC1=CC(C)=C(C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1C	REAL300007754720	0	43	-1.0	-49.44	310.16	6.65	-42.79
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754721	0	46	-1.0	-42.75	340.47	7.16	-35.59
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007754722	0	34	-1.0	-42.78	296.17	5.46	-37.32
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007754723	0	34	-1.0	-44.64	270.44	5.29	-39.35
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007754724	0	37	-1.0	-63.24	312.99	5.57	-57.67
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007754725	0	43	-1.0	-51.37	331.77	6.66	-44.71
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754726	0	48	-1.0	-58.52	393.27	4.59	-53.93
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754727	0	42	-1.0	-58.71	351.26	2.91	-55.80
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Br	REAL300007754728	0	35	-1.0	-56.14	307.38	4.80	-51.34
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007754729	0	37	-1.0	-52.56	335.29	6.87	-45.69
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1Br	REAL300007754730	0	34	-1.0	-55.20	297.13	6.06	-49.14
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C2)=C1	REAL300007754731	0	45	-1.0	-51.30	365.73	7.83	-43.47
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007754732	0	35	-1.0	-53.55	302.50	4.66	-48.89
CC1=C(C)C(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=C1C	REAL300007754733	0	46	-1.0	-52.41	322.55	7.01	-45.40
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007754734	0	40	-1.0	-58.29	320.29	4.78	-53.51
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754735	0	47	-1.0	-46.96	359.04	6.70	-40.26
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300007754736	0	38	-1.0	-47.04	332.57	6.81	-40.23
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007754737	0	36	-1.0	-56.09	304.24	6.14	-49.95
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754738	0	35	-1.0	-43.56	303.69	4.77	-38.79
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754739	0	49	-1.0	-50.64	353.62	7.87	-42.77
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007754740	0	34	-1.0	-54.01	295.25	5.86	-48.15
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007754741	0	41	-1.0	-52.31	318.29	6.83	-45.48
COC1=CC=C(OC)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754742	0	39	-1.0	-47.19	311.86	3.46	-43.73
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1OC	REAL300007754743	0	39	-1.0	-58.28	316.20	4.03	-54.25
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007754744	0	39	-1.0	-58.62	315.21	7.41	-51.21
CC(C)CCC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754745	0	46	-1.0	-57.80	359.97	8.38	-49.42
CCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1OCC	REAL300007754746	0	45	-1.0	-57.71	359.91	5.87	-51.84
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007754747	0	36	-1.0	-60.35	310.76	-0.18	-60.53
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007754748	0	39	-1.0	-55.56	321.85	6.71	-48.85
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1C	REAL300007754749	0	39	-1.0	-41.10	309.20	6.07	-35.03
CC1=CC2=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C2N=C1	REAL300007754750	0	39	-1.0	-52.13	316.04	5.99	-46.14
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007754751	0	37	-1.0	-53.54	299.01	4.53	-49.01
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754752	0	35	-1.0	-43.33	299.66	4.89	-38.44
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007754753	0	36	-1.0	-61.67	311.68	-0.21	-61.88
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007754754	0	43	-1.0	-62.29	365.57	2.72	-59.57
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754755	0	39	-1.0	-60.18	323.96	6.17	-54.01
CN(C(C)(C)C(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007754756	0	40	-1.0	-43.15	308.17	5.53	-37.62
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=CC=CN=C12	REAL300007754757	0	39	-1.0	-46.91	308.78	5.41	-41.50
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C	REAL300007754758	0	39	-1.0	-55.72	307.49	6.40	-49.32
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754759	0	42	-1.0	-63.47	352.17	2.86	-60.61
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007754760	0	43	-1.0	-69.13	344.19	4.23	-64.90
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007754761	0	37	-1.0	-66.23	318.32	2.40	-63.83
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007754762	0	41	-1.0	-56.81	328.99	8.37	-48.44
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007754763	0	37	-1.0	-47.07	293.62	6.47	-40.60
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007754764	0	41	-1.0	-59.06	331.64	8.26	-50.80
CN(C)C1=CC=CC2=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=CC=C12	REAL300007754765	0	45	-1.0	-45.99	347.05	6.32	-39.67
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007754766	0	32	-1.0	-48.39	280.75	2.75	-45.64
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754767	0	35	-1.0	-43.67	299.12	4.67	-39.00
CCC(C)(C)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754768	0	46	-1.0	-57.90	347.90	7.63	-50.27
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Cl	REAL300007754769	0	34	-1.0	-58.36	292.94	5.93	-52.43
CC(C)OC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754770	0	41	-1.0	-56.68	325.79	5.73	-50.95
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007754771	0	34	-1.0	-61.43	300.16	6.22	-55.21
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007754772	0	36	-1.0	-51.44	312.69	6.54	-44.90
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007754773	0	36	-1.0	-60.03	294.60	5.01	-55.02
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007754774	0	42	-1.0	-58.84	362.56	8.19	-50.65
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754775	0	37	-1.0	-42.12	311.10	5.05	-37.07
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1F	REAL300007754776	0	35	-1.0	-56.24	293.19	4.20	-52.04
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007754777	0	42	-1.0	-56.89	363.67	8.22	-48.67
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300007754778	0	46	-1.0	-57.11	376.05	6.99	-50.12
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C(C)C)=C1	REAL300007754779	0	58	-1.0	-49.36	416.02	10.31	-39.05
CC(C)OC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300007754780	0	47	-1.0	-47.80	361.54	7.38	-40.42
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007754781	0	34	-1.0	-60.41	315.35	6.68	-53.73
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300007754782	0	41	-1.0	-47.71	318.80	5.70	-42.01
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007754783	0	47	-1.0	-57.11	374.85	1.98	-55.13
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754784	0	36	-1.0	-38.98	292.32	5.52	-33.46
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754785	0	36	-1.0	-44.60	289.47	5.35	-39.25
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754786	0	39	-1.0	-54.49	313.57	6.41	-48.08
CC(C)CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754787	0	43	-1.0	-58.52	338.68	7.52	-51.00
COCCC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754788	0	41	-1.0	-57.95	333.08	5.38	-52.57
COCCN(CCOC)S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754789	0	43	-1.0	-39.18	323.67	1.38	-37.80
CC1=CC=C(Cl)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754790	0	34	-1.0	-40.22	280.97	5.35	-34.87
COC1=C(C)C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C	REAL300007754791	0	41	-1.0	-56.65	327.82	5.66	-50.99
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754792	0	47	-1.0	-56.72	368.42	7.20	-49.52
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007754793	0	45	-1.0	-56.49	350.57	7.08	-49.41
CC(C)COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754794	0	44	-1.0	-56.95	349.45	6.59	-50.36
CCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754795	0	41	-1.0	-57.01	329.35	5.90	-51.11
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Cl	REAL300007754796	0	35	-1.0	-56.21	303.00	4.69	-51.52
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007754797	0	35	-1.0	-56.71	312.76	4.96	-51.75
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C	REAL300007754798	0	38	-1.0	-58.06	307.04	4.87	-53.19
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1OC(C)C	REAL300007754799	0	44	-1.0	-57.67	346.76	6.42	-51.25
COC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=C1	REAL300007754800	0	38	-1.0	-42.92	293.66	4.16	-38.76
COCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754801	0	42	-1.0	-59.81	341.48	4.37	-55.44
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754802	0	34	-1.0	-39.61	285.39	5.48	-34.13
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1C	REAL300007754803	0	39	-1.0	-52.59	295.19	6.64	-45.95
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754804	0	40	-1.0	-45.86	324.97	2.36	-43.50
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007754805	0	43	-1.0	-59.15	365.53	2.71	-56.44
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754806	0	39	-1.0	-59.59	333.12	1.04	-58.55
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754807	0	39	-1.0	-57.61	319.53	2.67	-54.94
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007754808	0	34	-1.0	-44.90	288.97	5.69	-39.21
COC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1F	REAL300007754809	0	35	-1.0	-54.98	293.20	4.20	-50.78
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007754810	0	41	-1.0	-59.75	331.81	8.28	-51.47
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007754811	0	34	-1.0	-60.37	317.08	6.74	-53.63
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])S2)=CS1	REAL300007754812	0	37	-1.0	-57.53	337.45	5.53	-52.00
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007754813	0	51	-1.0	-56.80	391.08	8.48	-48.32
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754814	0	39	-1.0	-59.47	309.44	6.62	-52.85
CNC(=O)C1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CN1C	REAL300007754815	0	39	-1.0	-59.60	321.79	2.60	-57.00
COC1=CC(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=C1	REAL300007754816	0	41	-1.0	-50.60	307.01	4.85	-45.75
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007754817	0	42	-1.0	-52.59	339.80	8.44	-44.15
COC1=CC(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C	REAL300007754818	0	41	-1.0	-43.06	313.85	4.87	-38.19
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007754819	0	39	-1.0	-51.88	296.45	5.10	-46.78
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007754820	0	36	-1.0	-47.45	288.77	4.67	-42.78
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007754821	0	44	-1.0	-61.20	357.31	8.69	-52.51
CCN1C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007754822	0	36	-1.0	-52.35	304.04	4.94	-47.41
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007754823	0	38	-1.0	-59.69	328.37	5.53	-54.16
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007754824	0	45	-1.0	-59.10	368.74	8.12	-50.98
CCC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754825	0	39	-1.0	-69.89	320.70	6.13	-63.76
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007754826	0	41	-1.0	-56.65	343.14	6.46	-50.19
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754827	0	53	-1.0	-50.90	386.74	7.12	-43.78
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007754828	0	39	-1.0	-61.66	330.08	1.58	-60.08
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007754829	0	46	-1.0	-63.71	378.52	4.01	-59.70
CCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300007754830	0	44	-1.0	-47.18	343.80	6.74	-40.44
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754831	0	41	-1.0	-46.65	325.68	5.75	-40.90
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007754832	0	36	-1.0	-72.76	305.91	5.05	-67.71
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007754833	0	38	-1.0	-58.10	317.83	6.01	-52.09
CCOCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754834	0	45	-1.0	-59.78	363.33	5.33	-54.45
CCCCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754835	0	47	-1.0	-56.81	372.35	7.46	-49.35
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007754836	0	41	-1.0	-43.33	306.18	6.79	-36.54
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007754837	0	37	-1.0	-63.21	304.35	6.59	-56.62
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007754838	0	35	-1.0	-53.79	312.88	6.34	-47.45
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007754839	0	39	-1.0	-69.23	323.35	6.26	-62.97
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007754840	0	37	-1.0	-67.26	296.82	1.30	-65.96
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007754841	0	36	-1.0	-55.28	303.84	4.51	-50.77
CCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=C1	REAL300007754842	0	41	-1.0	-42.87	315.51	5.07	-37.80
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754843	0	39	-1.0	-64.84	334.25	1.05	-63.79
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007754844	0	35	-1.0	-46.66	292.65	4.65	-42.01
CSC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754845	0	35	-1.0	-57.32	296.70	5.89	-51.43
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007754846	0	37	-1.0	-61.68	322.50	6.73	-54.95
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754847	0	42	-1.0	-60.74	324.74	6.57	-54.17
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007754848	0	37	-1.0	-47.72	297.49	4.14	-43.58
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007754849	0	36	-1.0	-46.24	288.69	4.59	-41.65
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007754850	0	43	-1.0	-60.43	354.53	7.00	-53.43
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(F)(F)F	REAL300007754851	0	37	-1.0	-58.84	311.91	6.35	-52.49
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007754852	0	37	-1.0	-59.78	333.29	5.94	-53.84
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007754853	0	40	-1.0	-60.08	322.16	6.52	-53.56
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C12	REAL300007754854	0	39	-1.0	-56.89	323.97	4.58	-52.31
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754855	0	38	-1.0	-63.81	328.34	5.60	-58.21
COCC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754856	0	38	-1.0	-61.42	312.70	4.59	-56.83
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007754857	0	42	-1.0	-63.34	335.64	6.32	-57.02
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007754858	0	34	-1.0	-62.46	296.09	6.14	-56.32
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007754859	0	43	-1.0	-58.34	350.91	2.86	-55.48
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007754860	0	38	-1.0	-60.25	328.59	5.57	-54.68
COC1=CC(OC)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Br	REAL300007754861	0	39	-1.0	-45.20	330.82	4.13	-41.07
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007754862	0	39	-1.0	-52.96	314.02	4.39	-48.57
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007754863	0	34	-1.0	-60.14	308.42	6.63	-53.51
CC1CC2=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C2O1	REAL300007754864	0	39	-1.0	-57.46	314.55	5.46	-52.00
CCC1=CC=CC(CC)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754865	0	43	-1.0	-43.70	304.85	7.55	-36.15
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754866	0	43	-1.0	-52.84	336.19	2.92	-49.92
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007754867	0	42	-1.0	-56.48	362.58	8.26	-48.22
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007754868	0	37	-1.0	-58.12	322.86	5.61	-52.51
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007754869	0	37	-1.0	-59.43	343.65	6.39	-53.04
CC1=NC(C2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C2)=CO1	REAL300007754870	0	40	-1.0	-48.45	330.69	3.39	-45.06
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007754871	0	34	-1.0	-51.21	291.65	2.93	-48.28
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007754872	0	34	-1.0	-58.29	283.68	3.53	-54.76
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007754873	0	39	-1.0	-58.48	311.17	5.47	-53.01
CC1=CC=C(N2C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=N2)C=C1	REAL300007754874	0	41	-1.0	-56.13	339.18	6.68	-49.45
CC1CC2=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC(Cl)=C2O1	REAL300007754875	0	39	-1.0	-50.85	329.36	5.46	-45.39
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007754876	0	36	-1.0	-53.48	301.59	6.00	-47.48
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=N1	REAL300007754877	0	42	-1.0	-61.59	345.68	5.68	-55.91
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007754878	0	33	-1.0	-56.39	289.53	4.38	-52.01
CN(C)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754879	0	39	-1.0	-59.68	308.00	5.27	-54.41
CC1=CC2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C2C=C1	REAL300007754880	0	40	-1.0	-52.58	322.88	7.25	-45.33
CN(C)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754881	0	39	-1.0	-60.26	309.16	5.27	-54.99
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007754882	0	36	-1.0	-68.75	306.78	5.06	-63.69
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007754883	0	37	-1.0	-59.04	320.95	7.08	-51.96
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007754884	0	43	-1.0	-59.24	331.87	5.40	-53.84
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007754885	0	33	-1.0	-52.13	292.25	4.09	-48.04
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754886	0	39	-1.0	-66.32	310.37	5.26	-61.06
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754887	0	39	-1.0	-43.33	308.73	6.01	-37.32
CC1=CC=C(C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007754888	0	39	-1.0	-58.56	309.88	7.44	-51.12
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007754889	0	39	-1.0	-42.13	307.27	5.99	-36.14
COC1=CC=C(CCS(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754890	0	41	-1.0	-60.60	333.72	5.87	-54.73
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007754891	0	40	-1.0	-57.82	331.04	6.62	-51.20
COC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC(OC)=C1	REAL300007754892	0	39	-1.0	-60.23	316.45	3.45	-56.78
CC1=CC2=C(C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-])OCO2	REAL300007754893	0	37	-1.0	-43.44	290.47	3.56	-39.88
COC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1Cl	REAL300007754894	0	35	-1.0	-54.93	303.00	4.69	-50.24
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007754895	0	37	-1.0	-53.13	305.49	5.77	-47.36
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007754896	0	39	-1.0	-62.25	302.73	6.15	-56.10
CC1=NC2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C2O1	REAL300007754897	0	36	-1.0	-58.59	301.26	2.52	-56.07
CCC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1CC	REAL300007754898	0	43	-1.0	-58.79	334.54	7.40	-51.39
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754899	0	39	-1.0	-46.47	305.63	6.22	-40.25
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754900	0	41	-1.0	-48.40	315.69	6.17	-42.23
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007754901	0	32	-1.0	-40.56	275.21	2.27	-38.29
CN(C)C1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=N1	REAL300007754902	0	38	-1.0	-58.45	305.88	4.77	-53.68
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007754903	0	37	-1.0	-43.57	297.33	6.10	-37.47
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007754904	0	34	-1.0	-60.40	284.76	3.69	-56.71
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC(C)=C1F	REAL300007754905	0	37	-1.0	-54.46	303.62	6.20	-48.26
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007754906	0	38	-1.0	-61.27	313.46	4.61	-56.66
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007754907	0	44	-1.0	-64.71	360.47	6.56	-58.15
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007754908	0	35	-1.0	-51.90	289.22	4.24	-47.66
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007754909	0	33	-1.0	-49.53	287.05	4.06	-45.47
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007754910	0	34	-1.0	-60.36	299.34	6.29	-54.07
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC=C1Cl	REAL300007754911	0	34	-1.0	-55.28	293.09	5.97	-49.31
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007754912	0	37	-1.0	-63.44	305.60	5.84	-57.60
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C2)=N1	REAL300007754913	0	40	-1.0	-57.44	343.70	6.32	-51.12
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007754914	0	39	-1.0	-47.51	306.37	5.75	-41.76
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007754915	0	38	-1.0	-65.19	322.63	2.71	-62.48
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007754916	0	40	-1.0	-53.81	315.33	4.59	-49.22
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007754917	0	34	-1.0	-60.50	303.31	6.24	-54.26
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754918	0	56	-1.0	-56.77	436.84	9.80	-46.97
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754919	0	41	-1.0	-43.59	347.05	6.49	-37.10
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754920	0	44	-1.0	-61.65	348.18	6.54	-55.11
COC(CS(=O)(=O)N(C)C(C)(C)C(=O)[O-])C1CCCC1	REAL300007754921	0	44	-1.0	-60.21	333.73	5.46	-54.75
COC(CS(=O)(=O)N(C)C(C)(C)C(=O)[O-])C1CCCCC1	REAL300007754922	0	47	-1.0	-61.14	350.37	6.08	-55.06
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007754923	0	45	-1.0	-56.89	374.96	8.18	-48.71
CCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(C)C	REAL300007754924	0	50	-1.0	-57.13	389.07	7.92	-49.21
CCC1=NC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CN1CC1CC1	REAL300007754925	0	44	-1.0	-62.66	352.03	6.70	-55.96
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007754926	0	34	-1.0	-55.32	298.04	4.50	-50.82
CC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007754927	0	39	-1.0	-45.59	314.31	6.49	-39.10
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007754928	0	38	-1.0	-49.19	292.77	3.76	-45.43
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007754929	0	44	-1.0	-41.30	360.51	6.57	-34.73
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007754930	0	34	-1.0	-40.18	300.16	2.82	-37.36
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007754931	0	42	-1.0	-58.35	358.24	8.93	-49.42
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007754932	0	41	-1.0	-49.65	318.15	7.58	-42.07
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007754933	0	51	-1.0	-57.24	409.64	9.67	-47.57
CCC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C(C)C=C1OC	REAL300007754934	0	44	-1.0	-43.42	335.84	5.67	-37.75
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007754935	0	37	-1.0	-53.66	327.73	6.74	-46.92
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007754936	0	33	-1.0	-70.12	286.21	4.11	-66.01
CC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007754937	0	40	-1.0	-54.61	303.89	7.04	-47.57
CC(C)OC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=N1	REAL300007754938	0	40	-1.0	-55.43	326.70	3.37	-52.06
COC1=C(F)C=CC=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754939	0	35	-1.0	-46.44	289.21	4.47	-41.97
CCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(C)C	REAL300007754940	0	47	-1.0	-57.46	367.58	7.11	-50.35
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007754941	0	43	-1.0	-57.98	335.71	7.08	-50.90
CN(C(C)(C)C(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007754942	0	50	-1.0	-61.53	384.45	9.58	-51.95
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007754943	0	41	-1.0	-45.86	310.98	4.32	-41.54
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007754944	0	43	-1.0	-40.55	328.17	4.68	-35.87
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007754945	0	41	-1.0	-55.68	325.32	5.26	-50.42
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007754946	0	34	-1.0	-45.36	281.53	3.07	-42.29
COC1=CC=C(F)C=C1CS(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754947	0	38	-1.0	-64.31	318.02	5.15	-59.16
C=CCCC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1	REAL300007754948	0	41	-1.0	-58.02	333.72	7.66	-50.36
CCCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(C)C	REAL300007754949	0	53	-1.0	-57.99	410.59	8.71	-49.28
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007754950	0	35	-1.0	-57.57	309.89	6.70	-50.87
CCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(C)(C)C	REAL300007754951	0	53	-1.0	-57.31	401.63	8.59	-48.72
CCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1CC	REAL300007754952	0	47	-1.0	-58.01	372.02	7.34	-50.67
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754953	0	37	-1.0	-47.61	293.49	6.04	-41.57
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754954	0	37	-1.0	-60.21	320.07	6.87	-53.34
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007754955	0	35	-1.0	-60.39	308.43	6.64	-53.75
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754956	0	47	-1.0	-45.96	368.06	6.87	-39.09
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007754957	0	36	-1.0	-49.05	288.66	4.65	-44.40
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300007754958	0	46	-1.0	-56.43	386.73	8.72	-47.71
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007754959	0	38	-1.0	-57.65	307.91	4.61	-53.04
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007754960	0	38	-1.0	-54.34	303.51	4.67	-49.67
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007754961	0	41	-1.0	-56.55	328.89	5.43	-51.12
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007754962	0	42	-1.0	-45.70	326.80	2.95	-42.75
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007754963	0	37	-1.0	-56.57	325.11	5.89	-50.68
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300007754964	0	38	-1.0	-48.18	297.24	4.31	-43.87
CCCCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(C)C	REAL300007754965	0	56	-1.0	-56.96	432.07	9.48	-47.48
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C	REAL300007754966	0	47	-1.0	-52.69	351.50	5.96	-46.73
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754967	0	41	-1.0	-44.10	328.44	5.82	-38.28
CCOCCOC1=CC=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1C(C)C	REAL300007754968	0	54	-1.0	-58.94	423.06	7.34	-51.60
CC1CC2=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C2O1	REAL300007754969	0	39	-1.0	-47.59	310.85	5.01	-42.58
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007754970	0	39	-1.0	-55.13	327.04	4.65	-50.48
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007754971	0	37	-1.0	-52.42	308.12	5.04	-47.38
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754972	0	36	-1.0	-67.26	296.00	4.98	-62.28
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007754973	0	35	-1.0	-46.03	309.95	4.80	-41.23
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007754974	0	34	-1.0	-59.54	297.25	6.35	-53.19
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007754975	0	38	-1.0	-45.37	308.23	4.17	-41.20
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=C1F	REAL300007754976	0	40	-1.0	-48.56	302.58	6.18	-42.38
COC1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1OC	REAL300007754977	0	39	-1.0	-48.93	312.12	4.24	-44.69
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007754978	0	44	-1.0	-46.68	340.27	4.96	-41.72
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)C(C)(C)C(=O)[O-]	REAL300007754979	0	43	-1.0	-45.95	329.68	4.57	-41.38
CCCCN1C=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C(C)=N1	REAL300007754980	0	43	-1.0	-45.64	342.56	5.04	-40.60
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007754981	0	38	-1.0	-46.48	308.33	4.06	-42.42
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007754982	0	35	-1.0	-58.54	296.71	4.42	-54.12
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007754983	0	36	-1.0	-61.31	300.41	2.70	-58.61
CC1=CC(C)=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C=C1Br	REAL300007754984	0	37	-1.0	-40.92	303.87	6.04	-34.88
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007754985	0	37	-1.0	-40.93	324.07	5.41	-35.52
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007754986	0	41	-1.0	-46.73	323.79	4.42	-42.31
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754987	0	49	-1.0	-53.02	363.88	7.94	-45.08
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007754988	0	37	-1.0	-55.79	328.70	6.70	-49.09
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007754989	0	41	-1.0	-55.95	331.10	5.54	-50.41
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007754990	0	35	-1.0	-53.44	287.98	5.31	-48.13
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007754991	0	42	-1.0	-44.51	352.21	7.25	-37.26
COC1=C(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007754992	0	40	-1.0	-74.19	321.49	6.52	-67.67
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007754993	0	38	-1.0	-55.30	300.13	4.35	-50.95
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007754994	0	40	-1.0	-57.13	311.69	4.72	-52.41
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007754995	0	40	-1.0	-56.30	321.69	4.62	-51.68
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007754996	0	38	-1.0	-44.40	301.88	3.31	-41.09
CC1=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007754997	0	36	-1.0	-51.28	308.57	4.74	-46.54
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007754998	0	34	-1.0	-53.15	302.62	5.91	-47.24
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)C(C)(C)C(=O)[O-])=C1	REAL300007754999	0	42	-1.0	-69.52	342.20	6.90	-62.62
CN(C(C)(C)C(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007755000	0	42	-1.0	-44.78	324.99	7.38	-37.40
COC1=CC=C(F)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891331	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-]	REAL300007891332	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	REAL300007891333	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	REAL300007891334	0	40	-1.0	-46.93	350.37	0.23	-46.70
O=C([O-])CC1(NS(=O)(=O)N2CCC3(CCCCC3)CC2)CC1	REAL300007891335	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	REAL300007891336	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	REAL300007891337	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	REAL300007891338	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	REAL300007891339	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	REAL300007891340	0	43	-1.0	-61.49	374.80	4.93	-56.56
CC(COC1CCCC1)CS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891341	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	REAL300007891342	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	REAL300007891343	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	REAL300007891344	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	REAL300007891345	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	REAL300007891346	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-]	REAL300007891347	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	REAL300007891348	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	REAL300007891349	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	REAL300007891350	0	35	-1.0	-43.00	312.03	5.01	-37.99
COCCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=N1	REAL300007891351	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	REAL300007891352	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	REAL300007891353	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	REAL300007891354	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	REAL300007891355	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	REAL300007891356	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	REAL300007891357	0	32	-1.0	-59.09	303.27	4.94	-54.15
O=C([O-])CC1(NS(=O)(=O)CC2=CC=CC=C2Br)CC1	REAL300007891358	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	REAL300007891359	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	REAL300007891360	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	REAL300007891361	0	32	-1.0	-51.33	293.12	4.77	-46.56
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Br	REAL300007891362	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	REAL300007891363	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	REAL300007891364	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	REAL300007891365	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	REAL300007891366	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	REAL300007891367	0	32	-1.0	-45.36	284.23	2.48	-42.88
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1I	REAL300007891368	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	REAL300007891369	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	REAL300007891370	0	46	-1.0	-61.67	386.41	2.92	-58.75
CSC1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891371	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	REAL300007891372	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	REAL300007891373	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	REAL300007891374	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	REAL300007891375	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	REAL300007891376	0	43	-1.0	-61.97	370.24	1.90	-60.07
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891377	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	REAL300007891378	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	REAL300007891379	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	REAL300007891380	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	REAL300007891381	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	REAL300007891382	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	REAL300007891383	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	REAL300007891384	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	REAL300007891385	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	REAL300007891386	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	REAL300007891387	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	REAL300007891388	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	REAL300007891389	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	REAL300007891390	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	REAL300007891391	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	REAL300007891392	0	41	-1.0	-55.05	347.18	5.10	-49.95
CCS(=O)(=O)NCCS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891393	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	REAL300007891394	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	REAL300007891395	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	REAL300007891396	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	REAL300007891397	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	REAL300007891398	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	REAL300007891399	0	35	-1.0	-43.01	319.59	5.12	-37.89
O=C([O-])CC1(NS(=O)(=O)CCC2=CC=C3OCCC3=C2)CC1	REAL300007891400	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	REAL300007891401	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	REAL300007891402	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	REAL300007891403	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	REAL300007891404	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	REAL300007891405	0	40	-1.0	-45.68	333.50	4.00	-41.68
O=C([O-])CC1(NS(=O)(=O)CCC2=CC=CC=C2Br)CC1	REAL300007891406	0	35	-1.0	-57.80	319.84	5.54	-52.26
O=C([O-])CC1(NS(=O)(=O)C2=C3OCCCN3N=C2)CC1	REAL300007891407	0	34	-1.0	-51.55	288.99	0.39	-51.16
O=C([O-])CC1(NS(=O)(=O)CCOCC2CCCC2)CC1	REAL300007891408	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	REAL300007891409	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	REAL300007891410	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	REAL300007891411	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	REAL300007891412	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	REAL300007891413	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	REAL300007891414	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	REAL300007891415	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	REAL300007891416	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	REAL300007891417	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	REAL300007891418	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	REAL300007891419	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	REAL300007891420	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	REAL300007891421	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	REAL300007891422	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	REAL300007891423	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	REAL300007891425	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	REAL300007891426	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	REAL300007891427	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	REAL300007891429	0	29	-1.0	-51.01	288.67	3.80	-47.21
O=C([O-])CC1(NS(=O)(=O)CCC2CC3=CC=CC=C3C2)CC1	REAL300007891430	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	REAL300007891431	0	40	-1.0	-45.45	339.00	4.17	-41.28
O=C([O-])CC1(NS(=O)(=O)CC2CCCS(=O)(=O)C2)CC1	REAL300007891432	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	REAL300007891433	0	32	-1.0	-45.03	294.17	4.32	-40.71
CC1=C(CCS(=O)(=O)NC2(CC(=O)[O-])CC2)SC=N1	REAL300007891434	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	REAL300007891435	0	41	-1.0	-47.31	341.57	4.96	-42.35
CC(C)(CCS(=O)(=O)NC1(CC(=O)[O-])CC1)S(C)(=O)=O	REAL300007891436	0	40	-1.0	-59.08	330.34	0.55	-58.53
O=C([O-])CC1(NS(=O)(=O)CC2CCCCC2(F)F)CC1	REAL300007891437	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	REAL300007891438	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	REAL300007891439	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-]	REAL300007891440	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	REAL300007891441	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	REAL300007891442	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	REAL300007891443	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	REAL300007891444	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	REAL300007891445	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	REAL300007891446	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	REAL300007891447	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	REAL300007891448	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	REAL300007891449	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	REAL300007891450	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	REAL300007891451	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-]	REAL300007891452	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	REAL300007891453	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	REAL300007891454	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	REAL300007891455	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	REAL300007891456	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	REAL300007891457	0	35	-1.0	-49.64	339.41	5.72	-43.92
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Br	REAL300007891458	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	REAL300007891459	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	REAL300007891460	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	REAL300007891461	0	44	-1.0	-52.80	326.59	6.19	-46.61
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3OCCCOC3=C2)CC1	REAL300007891462	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	REAL300007891463	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	REAL300007891464	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-]	REAL300007891465	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	REAL300007891466	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	REAL300007891467	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	REAL300007891468	0	32	-1.0	-41.42	297.35	4.34	-37.08
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COC1=CC=C(OC)C(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300007891470	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	REAL300007891471	0	37	-1.0	-46.84	317.33	2.53	-44.31
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CC(C)CCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891473	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	REAL300007891474	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	REAL300007891475	0	34	-1.0	-50.76	312.80	-1.71	-52.47
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1C	REAL300007891476	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	REAL300007891477	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	REAL300007891478	0	35	-1.0	-58.81	306.47	4.34	-54.47
COC1=CC(Cl)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891479	0	33	-1.0	-43.67	298.84	4.10	-39.57
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300007891480	0	34	-1.0	-44.14	312.85	-1.72	-45.86
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CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891482	0	37	-1.0	-51.79	307.26	5.31	-46.48
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CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CN=C12	REAL300007891484	0	37	-1.0	-55.90	317.42	5.02	-50.88
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C	REAL300007891485	0	37	-1.0	-60.62	317.93	6.36	-54.26
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300007891486	0	40	-1.0	-44.20	354.19	1.32	-42.88
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CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300007891488	0	35	-1.0	-45.91	319.31	0.85	-45.06
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CN(C)C1=CC=CC2=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=CC=C12	REAL300007891492	0	43	-1.0	-55.68	354.13	5.84	-49.84
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COC1=CC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891494	0	33	-1.0	-48.00	286.63	4.24	-43.76
CCC(C)(C)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891495	0	44	-1.0	-44.93	349.04	6.11	-38.82
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300007891496	0	32	-1.0	-46.05	293.07	4.62	-41.43
CC(C)OC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891497	0	39	-1.0	-46.28	327.31	4.34	-41.94
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COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891501	0	35	-1.0	-42.26	309.34	4.70	-37.56
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1F	REAL300007891502	0	33	-1.0	-43.82	294.26	2.69	-41.13
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CC1	REAL300007891503	0	40	-1.0	-44.42	365.12	6.75	-37.67
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2)C=C1	REAL300007891504	0	44	-1.0	-46.94	378.00	5.49	-41.45
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C(C)C)=C1	REAL300007891505	0	56	-1.0	-46.50	403.24	8.82	-37.68
CC(C)OC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300007891506	0	45	-1.0	-46.62	361.79	6.74	-39.88
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COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300007891508	0	39	-1.0	-46.77	322.07	5.21	-41.56
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C1(C)NC(=O)NC1=O	REAL300007891509	0	45	-1.0	-60.95	379.71	1.28	-59.67
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891510	0	34	-1.0	-49.83	304.38	5.02	-44.81
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891511	0	34	-1.0	-51.93	297.12	4.86	-47.07
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891512	0	37	-1.0	-56.48	311.62	5.95	-50.53
CC(C)CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891513	0	41	-1.0	-43.99	339.72	6.02	-37.97
COCCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891514	0	39	-1.0	-44.51	335.17	3.85	-40.66
COCCN(CCOC)S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891515	0	41	-1.0	-46.74	324.83	0.82	-45.92
CC1=CC=C(Cl)C=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891516	0	32	-1.0	-53.53	291.85	4.78	-48.75
COC1=C(C)C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C	REAL300007891517	0	39	-1.0	-53.28	335.16	4.60	-48.68
CC(C)CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891518	0	45	-1.0	-45.07	370.51	5.66	-39.41
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)CC1	REAL300007891519	0	43	-1.0	-45.98	352.90	5.66	-40.32
CC(C)COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891520	0	42	-1.0	-45.17	351.55	5.05	-40.12
CCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891521	0	39	-1.0	-45.16	331.45	4.36	-40.80
COC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Cl	REAL300007891522	0	33	-1.0	-43.23	304.07	3.18	-40.05
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CC1	REAL300007891523	0	33	-1.0	-45.93	312.82	3.65	-42.28
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1OC(C)C	REAL300007891524	0	42	-1.0	-45.92	347.40	5.05	-40.87
COCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891525	0	40	-1.0	-47.17	343.57	2.83	-44.34
CC1=CC(Br)=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891526	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	REAL300007891527	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	REAL300007891528	0	38	-1.0	-62.88	333.64	1.97	-60.91
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)CC1	REAL300007891529	0	41	-1.0	-50.26	367.61	1.18	-49.08
O=C([O-])CC1(NS(=O)(=O)C2=CSC3=CC=CC=C23)CC1	REAL300007891530	0	32	-1.0	-42.83	288.49	4.85	-37.98
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1F	REAL300007891531	0	33	-1.0	-44.28	293.32	2.88	-41.40
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)CC1	REAL300007891532	0	39	-1.0	-46.40	332.75	6.74	-39.66
O=C([O-])CC1(NS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300007891533	0	32	-1.0	-58.82	312.85	5.59	-53.23
CC1=NC(C2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)S2)=CS1	REAL300007891534	0	35	-1.0	-54.58	335.55	4.18	-50.40
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)CC1	REAL300007891535	0	49	-1.0	-44.40	393.11	6.94	-37.46
CNC(=O)C1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CN1C	REAL300007891536	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	REAL300007891537	0	39	-1.0	-51.83	310.11	4.09	-47.74
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)CC1	REAL300007891538	0	40	-1.0	-48.88	342.81	7.44	-41.44
COC1=CC(C)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C	REAL300007891539	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	REAL300007891540	0	37	-1.0	-48.98	306.32	4.54	-44.44
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC3=CN=CC=C32)CC1	REAL300007891541	0	34	-1.0	-49.83	293.48	4.37	-45.46
CCN1C=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300007891542	0	34	-1.0	-56.70	303.04	4.41	-52.29
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)CC1	REAL300007891543	0	36	-1.0	-43.25	329.46	4.01	-39.24
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CC1	REAL300007891544	0	43	-1.0	-46.77	369.85	6.62	-40.15
CCC(=O)C1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300007891545	0	37	-1.0	-46.98	321.64	4.60	-42.38
O=C([O-])CC1(NS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300007891546	0	39	-1.0	-46.08	344.77	4.87	-41.21
CC(C)CCN(CCC(C)C)S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891547	0	51	-1.0	-47.16	386.05	6.32	-40.84
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891548	0	37	-1.0	-52.72	331.81	-0.13	-52.85
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(S(=O)(=O)N3CCCC3)=C2)CC1	REAL300007891549	0	44	-1.0	-58.91	381.84	2.73	-56.18
CCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300007891550	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	REAL300007891551	0	39	-1.0	-48.51	326.32	5.63	-42.88
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CC1	REAL300007891552	0	34	-1.0	-67.11	308.33	3.77	-63.34
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CCOCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891554	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	REAL300007891555	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	REAL300007891560	0	39	-1.0	-53.09	326.72	4.65	-48.44
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CSC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891562	0	33	-1.0	-55.94	299.85	5.03	-50.91
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CCN(CC1=CC=CC=C1)S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891564	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	REAL300007891568	0	35	-1.0	-46.77	312.03	5.02	-41.75
O=C([O-])CC1(NS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)CC1	REAL300007891569	0	35	-1.0	-54.84	333.26	4.40	-50.44
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CC1=NN(C)C2=NC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C12	REAL300007891571	0	37	-1.0	-47.38	323.86	3.17	-44.21
CC1(C)CC2=CC=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=C2O1	REAL300007891572	0	40	-1.0	-62.33	325.20	5.17	-57.16
O=C([O-])CC1(NS(=O)(=O)CC2=CC=CC=C2Cl)CC1	REAL300007891573	0	32	-1.0	-47.07	294.34	4.61	-42.46
COC1=CC(OC)=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1Br	REAL300007891574	0	37	-1.0	-48.40	333.44	3.56	-44.84
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC(COCC(F)(F)C(F)F)=C2)CC1	REAL300007891575	0	42	-1.0	-48.43	379.63	5.51	-42.92
O=C([O-])CC1(NS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC1	REAL300007891576	0	37	-1.0	-57.99	322.25	4.19	-53.80
O=C([O-])CC1(NS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CC1	REAL300007891577	0	32	-1.0	-47.45	308.40	5.16	-42.29
CC1CC2=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=CC=C2O1	REAL300007891578	0	37	-1.0	-46.51	315.56	3.94	-42.57
CCC1=CC=CC(CC)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891579	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	REAL300007891580	0	41	-1.0	-57.32	347.19	2.53	-54.79
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CC1	REAL300007891581	0	40	-1.0	-46.62	364.21	6.73	-39.89
O=C([O-])CC1(NS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300007891582	0	35	-1.0	-57.04	327.41	4.36	-52.68
O=C([O-])CC1(NS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300007891583	0	35	-1.0	-54.50	343.58	4.85	-49.65
CC1=NC(C2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2)=CO1	REAL300007891584	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	REAL300007891585	0	32	-1.0	-52.75	286.94	2.35	-50.40
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3OCCCC3=C2)CC1	REAL300007891586	0	37	-1.0	-46.33	311.81	3.91	-42.42
CC1=CC=C(N2C=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=N2)C=C1	REAL300007891587	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	REAL300007891588	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-]	REAL300007891589	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	REAL300007891590	0	40	-1.0	-56.84	347.76	4.34	-52.50
O=C([O-])CC1(NS(=O)(=O)C2=CN=C3C=CSC3=C2)CC1	REAL300007891591	0	31	-1.0	-53.04	293.61	3.19	-49.85
CC1=CC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2C=C1	REAL300007891592	0	38	-1.0	-48.24	325.64	6.08	-42.16
O=C([O-])CC1(NS(=O)(=O)CC2=NOC3=CC=CC=C32)CC1	REAL300007891593	0	34	-1.0	-49.99	304.22	3.50	-46.49
O=C([O-])CC1(NS(=O)(=O)CCC2=CC=C(Cl)C=C2)CC1	REAL300007891594	0	35	-1.0	-42.40	319.10	5.46	-36.94
CN1CCCC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C21	REAL300007891595	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	REAL300007891596	0	31	-1.0	-45.44	293.08	2.82	-42.62
COC1=CC=CC(OC)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891597	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	REAL300007891598	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-]	REAL300007891599	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-]	REAL300007891600	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	REAL300007891601	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	REAL300007891602	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	REAL300007891603	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	REAL300007891604	0	35	-1.0	-54.90	300.92	3.07	-51.83
COC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Cl	REAL300007891605	0	33	-1.0	-43.95	303.13	3.37	-40.58
CC1=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300007891606	0	37	-1.0	-50.15	311.73	5.21	-44.94
CCC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1CC	REAL300007891607	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	REAL300007891608	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	REAL300007891609	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	REAL300007891610	0	30	-1.0	-49.75	282.28	1.20	-48.55
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CC1	REAL300007891611	0	35	-1.0	-62.32	310.36	5.59	-56.73
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC(C)=C1F	REAL300007891612	0	35	-1.0	-51.44	308.55	5.03	-46.41
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CC1	REAL300007891613	0	36	-1.0	-47.06	314.60	3.07	-43.99
O=C([O-])CC1(NS(=O)(=O)C2=C3N=CSC3=CC=C2)CC1	REAL300007891614	0	31	-1.0	-63.07	274.35	4.02	-59.05
O=C([O-])CC1(NS(=O)(=O)CC2=CC=C(Cl)C=C2)CC1	REAL300007891615	0	32	-1.0	-57.84	298.93	4.82	-53.02
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Cl	REAL300007891616	0	32	-1.0	-43.38	293.07	4.60	-38.78
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CC1	REAL300007891617	0	35	-1.0	-55.62	304.71	4.68	-50.94
CC1=CSC(C2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2)=N1	REAL300007891618	0	38	-1.0	-47.92	344.82	4.79	-43.13
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC3=C2OCCC3)CC1	REAL300007891619	0	37	-1.0	-49.57	292.55	4.59	-44.98
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)CC1	REAL300007891620	0	36	-1.0	-61.43	326.69	1.56	-59.87
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC3=C2OCCCO3)CC1	REAL300007891621	0	38	-1.0	-58.66	318.93	3.99	-54.67
O=C([O-])CC1(NS(=O)(=O)CC2=CC(F)=CC=C2Cl)CC1	REAL300007891622	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	REAL300007891623	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	REAL300007891624	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	REAL300007891625	0	42	-1.0	-45.70	348.25	5.13	-40.57
COC(CS(=O)(=O)NC1(CC(=O)[O-])CC1)C1CCCC1	REAL300007891626	0	42	-1.0	-45.75	331.77	3.53	-42.22
COC(CS(=O)(=O)NC1(CC(=O)[O-])CC1)C1CCCCC1	REAL300007891627	0	45	-1.0	-63.30	348.22	4.99	-58.31
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)CC1	REAL300007891628	0	43	-1.0	-45.42	376.02	6.68	-38.74
CCCOC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1C(C)C	REAL300007891629	0	48	-1.0	-45.69	389.05	6.57	-39.12
CCC1=NC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CN1CC1CC1	REAL300007891630	0	42	-1.0	-60.59	359.97	5.64	-54.95
O=C([O-])CC1(NS(=O)(=O)C2=CN=C(C3CC3)S2)CC1	REAL300007891631	0	32	-1.0	-53.26	298.86	3.03	-50.23
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300007891632	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	REAL300007891633	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	REAL300007891634	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	REAL300007891635	0	40	-1.0	-49.26	358.77	7.31	-41.95
O=C([O-])CC1(NS(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CC1	REAL300007891636	0	39	-1.0	-49.09	319.75	6.95	-42.14
CC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC(C)=C1OCC1=CC=CC=C1	REAL300007891637	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	REAL300007891638	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	REAL300007891639	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	REAL300007891640	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	REAL300007891641	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	REAL300007891642	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	REAL300007891643	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	REAL300007891644	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	REAL300007891645	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	REAL300007891646	0	48	-1.0	-58.48	384.04	8.11	-50.37
CN1N=C2CCCCC2=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891647	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	REAL300007891648	0	41	-1.0	-41.66	315.67	3.85	-37.81
O=C([O-])CC1(NS(=O)(=O)C2=CN(C3CCCC3)N=C2)CC1	REAL300007891649	0	39	-1.0	-53.90	328.77	4.03	-49.87
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891650	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	REAL300007891651	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	REAL300007891652	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	REAL300007891653	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	REAL300007891654	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	REAL300007891655	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	REAL300007891656	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	REAL300007891657	0	35	-1.0	-49.16	297.41	5.32	-43.84
CC1=CC(Br)=CC=C1CS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891658	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	REAL300007891659	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	REAL300007891660	0	45	-1.0	-51.74	372.52	6.50	-45.24
O=C([O-])CC1(NS(=O)(=O)C2=CC=CC3=CC=NC=C32)CC1	REAL300007891661	0	34	-1.0	-59.50	294.22	4.15	-55.35
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NC3(CC(=O)[O-])CC3)C=C2)C=C1	REAL300007891662	0	44	-1.0	-46.49	388.69	7.22	-39.27
O=C([O-])CC1(NS(=O)(=O)C2=CC=NN2CC2CCC2)CC1	REAL300007891663	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	REAL300007891664	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	REAL300007891665	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	REAL300007891666	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	REAL300007891667	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	REAL300007891668	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	REAL300007891669	0	52	-1.0	-49.10	423.03	5.99	-43.11
CC1CC2=CC=CC(S(=O)(=O)NC3(CC(=O)[O-])CC3)=C2O1	REAL300007891670	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	REAL300007891671	0	37	-1.0	-54.45	326.33	3.50	-50.95
O=C([O-])CC1(NS(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)CC1	REAL300007891672	0	35	-1.0	-48.28	310.55	3.92	-44.36
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891673	0	34	-1.0	-56.44	297.29	2.80	-53.64
O=C([O-])CC1(NS(=O)(=O)C2=CC3=CC=CC=C3S2)CC1	REAL300007891674	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	REAL300007891675	0	38	-1.0	-53.03	302.88	5.68	-47.35
COC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1OC	REAL300007891676	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	REAL300007891677	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	REAL300007891678	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	REAL300007891679	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	REAL300007891680	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	REAL300007891681	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	REAL300007891682	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	REAL300007891683	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	REAL300007891684	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	REAL300007891685	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	REAL300007891686	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	REAL300007891687	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	REAL300007891688	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	REAL300007891689	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	REAL300007891690	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	REAL300007891691	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	REAL300007891692	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	REAL300007891693	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	REAL300007891694	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	REAL300007891695	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	REAL300007891696	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	REAL300007891697	0	35	-1.0	-54.75	320.64	4.89	-49.86
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C=C1	REAL300007891698	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	REAL300007891699	0	29	-1.0	-53.02	266.43	3.91	-49.11
O=C([O-])CC1(NS(=O)(=O)C2=CC=NN2C2CCCC2)CC1	REAL300007891700	0	39	-1.0	-50.49	326.43	4.22	-46.27
CCC(C)N1N=CC=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891701	0	38	-1.0	-43.14	312.67	3.30	-39.84
CN(C1CCCCCC1)S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891702	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	REAL300007891703	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	REAL300007891704	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	REAL300007891705	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	REAL300007891706	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	REAL300007891707	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	REAL300007891708	0	37	-1.0	-42.39	313.50	3.80	-38.59
CCOCC1=CC=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1	REAL300007891709	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	REAL300007891710	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	REAL300007891711	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	REAL300007891712	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	REAL300007891713	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	REAL300007891714	0	35	-1.0	-51.77	319.47	5.46	-46.31
CC1=CC=C(S(=O)(=O)NC2(CC(=O)[O-])CC2)C2=CC=CC=C12	REAL300007891715	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	REAL300007891716	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	REAL300007891717	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	REAL300007891718	0	33	-1.0	-53.85	313.97	5.50	-48.35
O=C([O-])CC1(NS(=O)(=O)CCC2NC(=O)NC2=O)CC1	REAL300007891719	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	REAL300007891720	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	REAL300007891721	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	REAL300007891722	0	46	-1.0	-44.28	333.93	6.47	-37.81
CS(=O)(=O)CCCCS(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891723	0	37	-1.0	-55.80	327.59	0.24	-55.56
CC1(C)CCC(CS(=O)(=O)NC2(CC(=O)[O-])CC2)OC1	REAL300007891724	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	REAL300007891725	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	REAL300007891726	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	REAL300007891727	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	REAL300007891728	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	REAL300007891729	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	REAL300007891730	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	REAL300007891731	0	40	-1.0	-46.29	334.97	4.62	-41.67
COC1=CSC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=C1OC	REAL300007891732	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	REAL300007891733	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	REAL300007891734	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	REAL300007891735	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	REAL300007891736	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	REAL300007891737	0	33	-1.0	-45.21	303.52	2.95	-42.26
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891738	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	REAL300007891739	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	REAL300007891740	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	REAL300007891741	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	REAL300007891742	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	REAL300007891743	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	REAL300007891744	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	REAL300007891745	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	REAL300007891746	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	REAL300007891747	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	REAL300007891748	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	REAL300007891749	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	REAL300007891750	0	28	-1.0	-41.10	286.87	1.77	-39.33
CCC1=CC(S(=O)(=O)NC2(CC(=O)[O-])CC2)=CC=C1Br	REAL300007891751	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	REAL300007891752	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	REAL300007891753	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	REAL300007891754	0	35	-1.0	-47.65	300.10	6.10	-41.55
CN1N=C2CCOCC2=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891755	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	REAL300007891756	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	REAL300007891757	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	REAL300007891758	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	REAL300007891759	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	REAL300007891760	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	REAL300007891761	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	REAL300007891762	0	39	-1.0	-47.02	312.98	1.00	-46.02
O=C([O-])CC1(NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(F)(F)F)CC1	REAL300007891763	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	REAL300007891764	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	REAL300007891765	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	REAL300007891766	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	REAL300007891767	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	REAL300007891768	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	REAL300007891769	0	34	-1.0	-59.75	297.83	4.13	-55.62
O=C([O-])CC1(NS(=O)(=O)N2CC=C(Br)CC2)CC1	REAL300007891770	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	REAL300007891771	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	REAL300007891772	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	REAL300007891773	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	REAL300007891774	0	34	-1.0	-53.89	294.61	4.05	-49.84
CCOC1=CC=CN=C1S(=O)(=O)NC1(CC(=O)[O-])CC1	REAL300007891775	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	REAL300007891776	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	REAL300007891777	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	REAL300007891778	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	REAL300007891779	0	42	-1.0	-48.86	345.17	5.63	-43.23
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007891780	0	42	-1.0	-49.20	340.28	5.33	-43.87
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007891781	0	42	-1.0	-54.00	341.27	5.31	-48.69
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300007891782	0	45	-1.0	-55.90	358.25	6.10	-49.80
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300007891783	0	46	-1.0	-54.29	372.38	5.16	-49.13
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300007891784	0	45	-1.0	-53.49	355.21	5.84	-47.65
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])SC=C2)C=C1	REAL300007891785	0	39	-1.0	-49.92	326.06	5.09	-44.83
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007891786	0	42	-1.0	-54.00	341.27	5.31	-48.69
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007891787	0	42	-1.0	-49.20	340.28	5.33	-43.87
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C=C1	REAL300007891788	0	42	-1.0	-53.22	331.24	6.14	-47.08
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CNC(C(=O)[O-])=C2)C=C1	REAL300007891789	0	40	-1.0	-51.45	329.93	2.98	-48.47
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C=C1	REAL300007891790	0	42	-1.0	-49.35	345.77	3.37	-45.98
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1	REAL300007891791	0	39	-1.0	-48.05	333.55	4.54	-43.51
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])C=C1	REAL300007891792	0	39	-1.0	-53.39	320.54	2.56	-50.83
COC1=CC=C(C(C)(C)NS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1	REAL300007891793	0	47	-1.0	-49.73	357.03	4.91	-44.82
COC1=CC=C(C(C)(C)NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007891794	0	47	-1.0	-48.41	355.03	4.61	-43.80
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C=C1	REAL300007891795	0	42	-1.0	-53.22	331.24	6.14	-47.08
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C=C1	REAL300007891796	0	42	-1.0	-46.65	348.29	6.73	-39.92
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C=C1	REAL300007891797	0	39	-1.0	-49.65	328.13	3.96	-45.69
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)C=C1	REAL300007891798	0	42	-1.0	-50.69	346.01	4.35	-46.34
COC1=CC=C(C(C)(C)NS(=O)(=O)CCCC(=O)[O-])C=C1	REAL300007891799	0	41	-1.0	-52.78	329.79	4.15	-48.63
COC1=CC=C(C(C)(C)NS(=O)(=O)N2CCCC2C(=O)[O-])C=C1	REAL300007891800	0	44	-1.0	-59.00	338.70	4.78	-54.22
COC1=CC=C(C(C)(C)NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007891801	0	45	-1.0	-58.76	366.92	6.23	-52.53
COC1=CC=C(C(C)(C)NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1	REAL300007891802	0	47	-1.0	-48.41	355.03	4.61	-43.80
COC1=CC=C(C(C)(C)NS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300007891803	0	45	-1.0	-60.10	366.80	6.23	-53.87
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C=C1	REAL300007891804	0	39	-1.0	-49.65	328.13	3.96	-45.69
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300007891805	0	46	-1.0	-49.14	371.43	5.61	-43.53
COC1=CC=C(C(C)(C)NS(=O)(=O)CCCC(=O)[O-])C=C1	REAL300007891806	0	41	-1.0	-52.78	329.79	4.15	-48.63
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1	REAL300007891807	0	39	-1.0	-50.56	334.56	4.45	-46.11
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1	REAL300007891808	0	48	-1.0	-57.04	375.83	6.66	-50.38
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])C=C1	REAL300007891809	0	45	-1.0	-56.87	359.13	6.37	-50.50
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)(C)C2=CC=C(OC)C=C2)=C1	REAL300007891810	0	49	-1.0	-53.55	395.44	5.03	-48.52
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1	REAL300007891811	0	39	-1.0	-50.98	332.45	4.38	-46.60
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1	REAL300007891812	0	45	-1.0	-50.38	354.59	6.14	-44.24
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1	REAL300007891813	0	45	-1.0	-49.40	363.46	6.11	-43.29
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C=C1	REAL300007891814	0	39	-1.0	-50.21	328.02	3.62	-46.59
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300007891815	0	45	-1.0	-52.81	362.51	6.10	-46.71
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1	REAL300007891816	0	42	-1.0	-52.84	345.89	4.48	-48.36
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C=C1	REAL300007891817	0	41	-1.0	-47.40	335.55	3.42	-43.98
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CSN=C2C(=O)[O-])C=C1	REAL300007891818	0	38	-1.0	-54.23	320.62	3.58	-50.65
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C=C1	REAL300007891819	0	38	-1.0	-65.54	314.29	2.72	-62.82
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C=C1	REAL300007891820	0	41	-1.0	-55.45	326.55	4.24	-51.21
COC1=CC=C(C(C)(C)NS(=O)(=O)CCCCCC(=O)[O-])C=C1	REAL300007891821	0	47	-1.0	-54.14	372.79	5.71	-48.43
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300007891822	0	41	-1.0	-51.01	337.14	3.45	-47.56
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C=C1	REAL300007891823	0	42	-1.0	-48.04	357.09	5.82	-42.22
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300007891824	0	46	-1.0	-57.84	367.59	5.39	-52.45
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1	REAL300007891825	0	45	-1.0	-48.43	355.94	5.88	-42.55
COC1=CC=C(C(C)(C)NS(=O)(=O)N(C)CCC(=O)[O-])C=C1	REAL300007891826	0	43	-1.0	-49.31	336.58	3.96	-45.35
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC(C)(C)C2=CC=C(OC)C=C2)=C1	REAL300007891827	0	49	-1.0	-53.55	395.44	5.03	-48.52
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C=C1	REAL300007891828	0	42	-1.0	-48.04	357.09	5.82	-42.22
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])SC=C2C)C=C1	REAL300007891829	0	42	-1.0	-50.99	339.06	5.86	-45.13
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)C=C1	REAL300007891830	0	45	-1.0	-50.96	372.22	6.54	-44.42
COC1=CC=C(C(C)(C)NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300007891831	0	45	-1.0	-58.76	366.92	6.23	-52.53
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1	REAL300007891832	0	46	-1.0	-54.29	372.38	5.16	-49.13
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1	REAL300007891833	0	45	-1.0	-53.49	355.21	5.84	-47.65
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300007891834	0	45	-1.0	-55.90	358.25	6.10	-49.80
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC(F)=C2OC)C=C1	REAL300007891835	0	46	-1.0	-46.31	377.12	5.32	-40.99
COC1=CC=C(C(C)(C)NS(=O)(=O)CC2(CC(=O)[O-])CC2)C=C1	REAL300007891836	0	45	-1.0	-48.86	353.14	5.38	-43.48
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C=C1	REAL300007891837	0	45	-1.0	-52.81	362.51	6.10	-46.71
COC1=C(S(=O)(=O)NC(C)(C)C2=CC=C(OC)C=C2)SC(C(=O)[O-])=C1	REAL300007891838	0	43	-1.0	-48.89	361.68	3.64	-45.25
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)C=C1	REAL300007891839	0	47	-1.0	-49.75	377.16	5.99	-43.76
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)C=C1	REAL300007891840	0	49	-1.0	-54.00	387.28	7.22	-46.78
CCC1=C(S(=O)(=O)NC(C)(C)C2=CC=C(OC)C=C2)C=C(C(=O)[O-])O1	REAL300007891841	0	45	-1.0	-53.07	368.20	5.30	-47.77
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])C=C1	REAL300007891842	0	44	-1.0	-46.79	359.26	6.83	-39.96
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])C=C1	REAL300007891843	0	44	-1.0	-41.21	360.26	6.92	-34.29
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)C=C1	REAL300007891844	0	44	-1.0	-46.52	351.30	4.05	-42.47
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300007891845	0	46	-1.0	-49.48	372.38	5.16	-44.32
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300007891846	0	46	-1.0	-54.18	367.55	5.40	-48.78
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(OC)C=C2CC(=O)[O-])C=C1	REAL300007891847	0	49	-1.0	-59.07	383.80	6.07	-53.00
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C=C1	REAL300007891848	0	45	-1.0	-51.32	367.91	6.15	-45.17
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)C=C1	REAL300007891849	0	51	-1.0	-51.28	395.25	7.01	-44.27
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C=C1	REAL300007891850	0	42	-1.0	-51.03	335.21	3.83	-47.20
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)C=C1	REAL300007891851	0	48	-1.0	-51.80	378.72	7.54	-44.26
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)C=C1	REAL300007891852	0	42	-1.0	-50.49	345.76	4.49	-46.00
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C=C1	REAL300007891853	0	42	-1.0	-51.64	353.79	5.78	-45.86
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C=C1	REAL300007891854	0	39	-1.0	-54.74	321.91	4.44	-50.30
COC1=CC=C(C(C)(C)NS(=O)(=O)C2(C(=O)[O-])CCC2)C=C1	REAL300007891855	0	42	-1.0	-44.36	317.77	4.44	-39.92
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(OC)=CC=C2C(=O)[O-])C=C1	REAL300007891856	0	46	-1.0	-51.14	360.96	5.54	-45.60
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])C=C1	REAL300007891857	0	39	-1.0	-53.39	320.54	2.56	-50.83
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C=C1	REAL300007891858	0	42	-1.0	-51.03	335.21	3.83	-47.20
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)C1=CC=C(OC)C=C1	REAL300007891860	0	49	-1.0	-53.73	388.82	5.45	-48.28
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1	REAL300007891861	0	41	-1.0	-48.68	340.03	3.92	-44.76
COC1=CC=C(C(C)(C)NS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C=C1	REAL300007891862	0	45	-1.0	-58.66	356.06	6.62	-52.04
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1	REAL300007891863	0	39	-1.0	-47.09	342.78	4.18	-42.91
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)C=C1	REAL300007891864	0	48	-1.0	-51.33	377.85	7.54	-43.79
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC(C)(C)C1=CC=C(OC)C=C1	REAL300007891865	0	49	-1.0	-54.07	394.23	6.08	-47.99
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(OC)C=C2C(=O)[O-])C=C1	REAL300007891866	0	46	-1.0	-53.77	360.84	5.49	-48.28
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C=C1	REAL300007891867	0	41	-1.0	-55.58	336.53	3.54	-52.04
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C=C1	REAL300007891868	0	39	-1.0	-43.96	324.60	1.56	-42.40
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C=C1	REAL300007891869	0	42	-1.0	-54.61	343.96	3.08	-51.53
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)C=C1	REAL300007891870	0	48	-1.0	-52.76	386.19	7.57	-45.19
COC1=CC=C(C(C)(C)NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1	REAL300007891871	0	42	-1.0	-54.48	333.13	4.60	-49.88
COC1=CC=C(C(C)(C)NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1	REAL300007891872	0	45	-1.0	-56.63	346.74	5.08	-51.55
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)C=C1	REAL300007891873	0	42	-1.0	-50.72	352.65	5.14	-45.58
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])C=C1	REAL300007891874	0	48	-1.0	-55.91	377.28	8.43	-47.48
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C=C1	REAL300007891875	0	45	-1.0	-58.85	354.29	6.71	-52.14
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)C=C1	REAL300007891876	0	45	-1.0	-65.06	371.18	4.39	-60.67
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)C=C1	REAL300007891877	0	45	-1.0	-45.37	364.05	6.29	-39.08
COC1=CC=C(C(C)(C)NS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300007891878	0	42	-1.0	-54.96	339.65	4.83	-50.13
COC1=CC=C(C(C)(C)NS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1	REAL300007891879	0	47	-1.0	-51.84	341.69	5.32	-46.52
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C=C1	REAL300007891880	0	39	-1.0	-43.96	324.60	1.56	-42.40
COC1=CC=C(C(C)(C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300007891881	0	44	-1.0	-59.82	340.78	4.34	-55.48
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])C=C1	REAL300007891882	0	39	-1.0	-53.39	320.54	2.56	-50.83
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)C=C1	REAL300007891883	0	39	-1.0	-44.02	343.03	5.75	-38.27
COC1=CC=C(C(C)(C)NS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300007891884	0	42	-1.0	-59.98	322.89	5.16	-54.82
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)C=C1	REAL300007891885	0	44	-1.0	-51.36	351.42	4.03	-47.33
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C=C1	REAL300007891886	0	45	-1.0	-58.85	354.29	6.71	-52.14
CCOC1=CC=C(S(=O)(=O)NC(C)(C)C2=CC=C(OC)C=C2)C=C1C(=O)[O-]	REAL300007891887	0	49	-1.0	-58.62	390.40	6.37	-52.25
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)C=C1	REAL300007891888	0	49	-1.0	-52.76	385.78	7.22	-45.54
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C=C1	REAL300007891889	0	41	-1.0	-46.74	326.98	4.29	-42.45
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891890	0	39	-1.0	-56.89	319.22	6.16	-50.73
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891891	0	40	-1.0	-55.57	332.73	5.03	-50.54
CC1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C=C1C(=O)[O-]	REAL300007891892	0	39	-1.0	-52.44	317.89	5.67	-46.77
O=C([O-])C1=C(S(=O)(=O)NC2CCC3CC3C2)C=CS1	REAL300007891893	0	33	-1.0	-46.50	287.68	5.04	-41.46
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CC3C2)S1	REAL300007891894	0	33	-1.0	-47.69	296.04	4.36	-43.33
O=C([O-])C1CCCN(S(=O)(=O)NC2CCC3CC3C2)C1	REAL300007891895	0	41	-1.0	-47.22	318.85	4.25	-42.97
O=C([O-])C1CCN(S(=O)(=O)NC2CCC3CC3C2)CC1	REAL300007891896	0	41	-1.0	-50.44	318.48	4.52	-45.92
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891897	0	36	-1.0	-43.60	310.45	6.64	-36.96
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCC3CC3C2)C=C1	REAL300007891898	0	39	-1.0	-56.42	324.65	5.87	-50.55
O=C([O-])C1CCN(S(=O)(=O)NC2CCC3CC3C2)CC1	REAL300007891899	0	41	-1.0	-50.44	318.48	4.52	-45.92
O=C([O-])C1=CC=CC(CS(=O)(=O)NC2CCC3CC3C2)=C1	REAL300007891900	0	39	-1.0	-58.18	324.66	5.86	-52.32
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C=C1	REAL300007891901	0	40	-1.0	-47.60	332.95	5.42	-42.18
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891902	0	40	-1.0	-45.02	343.64	6.23	-38.79
O=C([O-])C1=CSC(S(=O)(=O)NC2CCC3CC3C2)=C1	REAL300007891903	0	33	-1.0	-48.78	297.03	4.28	-44.50
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3CC3C2)=C1C	REAL300007891904	0	42	-1.0	-58.63	337.63	6.63	-52.00
CC1=CC=CC(S(=O)(=O)NC2CCC3CC3C2)=C1C(=O)[O-]	REAL300007891905	0	39	-1.0	-53.80	321.81	6.32	-47.48
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3CC3C2)=C1	REAL300007891906	0	43	-1.0	-52.30	356.96	4.85	-47.45
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3CC3C2)=CS1	REAL300007891907	0	33	-1.0	-50.41	293.51	4.17	-46.24
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891908	0	39	-1.0	-42.04	332.43	7.12	-34.92
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891909	0	39	-1.0	-48.39	314.53	5.92	-42.47
O=C([O-])C1=C(S(=O)(=O)NC2CCC3CC3C2)C2=CC=CC=C2S1	REAL300007891910	0	39	-1.0	-52.01	330.16	7.49	-44.52
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C=C1	REAL300007891911	0	39	-1.0	-48.01	324.07	5.92	-42.09
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCC3CC3C2)C=C1[N+](=O)[O-]	REAL300007891912	0	41	-1.0	-41.93	340.15	6.17	-35.76
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCC3CC3C2)=C1	REAL300007891913	0	39	-1.0	-50.88	324.07	5.91	-44.97
O=C([O-])C1=NSC=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891914	0	32	-1.0	-50.21	281.99	3.52	-46.69
O=C([O-])C1=C(S(=O)(=O)NC2CCC3CC3C2)SC=N1	REAL300007891915	0	32	-1.0	-61.64	279.85	2.80	-58.84
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CCC3CC3C2)=C1	REAL300007891916	0	36	-1.0	-46.66	318.62	5.65	-41.01
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NC2CCC3CC3C2)=C1	REAL300007891917	0	36	-1.0	-46.69	323.18	5.75	-40.94
COC1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C=C1C(=O)[O-]	REAL300007891918	0	40	-1.0	-57.81	329.17	5.20	-52.61
CC1=CC(S(=O)(=O)NC2CCC3CC3C2)=CC=C1C(=O)[O-]	REAL300007891919	0	39	-1.0	-47.39	317.91	5.68	-41.71
O=C([O-])C1=NC=CC2=C(S(=O)(=O)NC3CCC4CC4C3)C=CC=C21	REAL300007891920	0	41	-1.0	-51.56	337.97	5.70	-45.86
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC3CC3C2)=C1	REAL300007891921	0	43	-1.0	-52.30	356.96	4.85	-47.45
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NC2CCC3CC3C2)=C1	REAL300007891922	0	36	-1.0	-46.66	318.62	5.65	-41.01
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891923	0	36	-1.0	-49.74	302.99	5.74	-44.00
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891924	0	39	-1.0	-51.67	333.97	6.49	-45.18
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NC3CCC4CC4C3)C=C21	REAL300007891925	0	42	-1.0	-50.48	348.81	6.48	-44.00
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCC3CC3C2)C=C1	REAL300007891926	0	39	-1.0	-56.42	324.65	5.87	-50.55
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891927	0	40	-1.0	-55.57	332.73	5.03	-50.54
CC1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C=C1C(=O)[O-]	REAL300007891928	0	39	-1.0	-52.44	317.89	5.67	-46.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891929	0	39	-1.0	-56.89	319.22	6.16	-50.73
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891930	0	40	-1.0	-46.27	334.16	5.16	-41.11
O=C([O-])CC1=CC=CC(S(=O)(=O)NC2CCC3CC3C2)=C1	REAL300007891931	0	39	-1.0	-50.88	324.07	5.91	-44.97
COC1=C(S(=O)(=O)NC2CCC3CC3C2)SC(C(=O)[O-])=C1	REAL300007891932	0	37	-1.0	-47.49	323.78	3.57	-43.92
CC1=C(Br)C=C(S(=O)(=O)NC2CCC3CC3C2)C=C1C(=O)[O-]	REAL300007891933	0	39	-1.0	-48.01	339.76	6.30	-41.71
O=C([O-])C1CC2=CC(S(=O)(=O)NC3CCC4CC4C3)=CC=C2O1	REAL300007891934	0	41	-1.0	-49.30	338.70	5.81	-43.49
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C=C1C(F)(F)F	REAL300007891935	0	39	-1.0	-46.70	332.01	5.95	-40.75
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3CCC4CC4C3)C=C2)CC1	REAL300007891936	0	43	-1.0	-49.39	345.85	6.96	-42.43
CCC1=C(S(=O)(=O)NC2CCC3CC3C2)C=C(C(=O)[O-])O1	REAL300007891937	0	39	-1.0	-52.76	326.03	5.05	-47.71
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891938	0	38	-1.0	-43.37	321.69	6.80	-36.57
O=C([O-])C1=CC2=CC(S(=O)(=O)NC3CCC4CC4C3)=CC=C2S1	REAL300007891939	0	39	-1.0	-50.34	339.72	6.63	-43.71
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891940	0	38	-1.0	-38.69	322.19	6.79	-31.90
CC1=NC=C(S(=O)(=O)NC2CCC3CC3C2)C=C1C(=O)[O-]	REAL300007891941	0	38	-1.0	-46.65	313.32	3.86	-42.79
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891942	0	40	-1.0	-48.18	332.84	5.05	-43.13
COC1=CC(S(=O)(=O)NC2CCC3CC3C2)=CC=C1C(=O)[O-]	REAL300007891943	0	40	-1.0	-53.29	329.17	5.23	-48.06
COC1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C(CC(=O)[O-])=C1	REAL300007891944	0	43	-1.0	-57.04	346.41	5.75	-51.29
O=C([O-])CC1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C=C1F	REAL300007891945	0	39	-1.0	-50.19	329.46	5.96	-44.23
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)NC2CCC3CC3C2)=C1	REAL300007891946	0	39	-1.0	-45.41	340.59	6.13	-39.28
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C=C1	REAL300007891947	0	45	-1.0	-47.45	356.77	6.82	-40.63
O=C([O-])C1=CC=CC2=C(S(=O)(=O)NC3CCC4CC4C3)C=CC=C12	REAL300007891948	0	42	-1.0	-50.33	340.92	7.49	-42.84
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891949	0	36	-1.0	-43.50	315.02	6.74	-36.76
O=C([O-])C1=CC(S(=O)(=O)NC2CCC3CC3C2)=CC=C1Cl	REAL300007891950	0	36	-1.0	-50.04	314.41	5.53	-44.51
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2CCC3CC3C2)=C1	REAL300007891951	0	40	-1.0	-48.42	323.12	5.43	-42.99
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NC2CCC3CC3C2)=C1OC	REAL300007891952	0	48	-1.0	-52.84	387.65	6.56	-46.28
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891954	0	43	-1.0	-54.90	351.22	5.37	-49.53
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NC1CCC2CC2C1	REAL300007891955	0	39	-1.0	-54.96	314.61	6.30	-48.66
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NC2CCC3CC3C2)=C1	REAL300007891956	0	33	-1.0	-45.82	304.19	3.92	-41.90
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C2=CC=CC=C12	REAL300007891957	0	42	-1.0	-50.96	340.40	7.51	-43.45
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891958	0	43	-1.0	-55.10	354.60	5.95	-49.15
COC1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C(C(=O)[O-])=C1	REAL300007891959	0	40	-1.0	-50.56	322.90	5.43	-45.13
O=C([O-])C1=CC2=CC=C(S(=O)(=O)NC3CCC4CC4C3)C=C2C=C1	REAL300007891960	0	42	-1.0	-51.10	347.78	7.41	-43.69
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCC3CC3C2)S1	REAL300007891961	0	36	-1.0	-48.95	315.22	4.97	-43.98
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891962	0	42	-1.0	-52.96	339.73	8.39	-44.57
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)NC2CCC3CC3C2)=C1	REAL300007891963	0	39	-1.0	-46.69	328.90	6.79	-39.90
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891964	0	39	-1.0	-55.92	316.29	6.70	-49.22
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)NC1CCC3CC3C1)=C2	REAL300007891965	0	36	-1.0	-47.66	333.61	5.83	-41.83
O=C([O-])C1=NC(S(=O)(=O)NC2CCC3CC3C2)=C2C=CC=CN21	REAL300007891966	0	39	-1.0	-65.61	329.32	3.84	-61.77
O=C([O-])C1=CN2C=NC(S(=O)(=O)NC3CCC4CC4C3)=C2C=C1	REAL300007891967	0	39	-1.0	-45.13	330.12	6.67	-38.46
O=C([O-])C1CCCCN1S(=O)(=O)NC1CCC2CC2C1	REAL300007891968	0	41	-1.0	-46.16	312.49	5.30	-40.86
O=C([O-])C1=C(S(=O)(=O)NC2CCC3CC3C2)C=C(Cl)S1	REAL300007891969	0	33	-1.0	-41.43	304.67	5.65	-35.78
CC1=CC(S(=O)(=O)NC2CCC3CC3C2)=CN=C1C(=O)[O-]	REAL300007891970	0	38	-1.0	-50.42	314.26	3.90	-46.52
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NC1CCC2CC2C1	REAL300007891971	0	39	-1.0	-55.92	316.29	6.70	-49.22
CCOC1=CC=C(S(=O)(=O)NC2CCC3CC3C2)C=C1C(=O)[O-]	REAL300007891972	0	43	-1.0	-59.10	351.03	6.12	-52.98
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3CCC4CC4C3)C=C2C1	REAL300007891973	0	43	-1.0	-51.58	347.32	7.04	-44.54
O=C([O-])C1=NC2=CC=C(S(=O)(=O)NC3CCC4CC4C3)C=C2C=C1	REAL300007891974	0	41	-1.0	-54.25	343.65	5.54	-48.71
CCN(C1CCCOC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007891975	0	39	-1.0	-49.61	319.55	4.63	-44.98
CCN(C1CCCOC1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007891976	0	39	-1.0	-52.00	319.24	4.60	-47.40
CCN(C1CCCOC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007891977	0	42	-1.0	-59.61	326.89	5.07	-54.54
CCN(C1CCCOC1)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007891978	0	43	-1.0	-54.85	341.21	4.52	-50.33
CCN(C1CCCOC1)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007891979	0	42	-1.0	-54.53	332.44	5.05	-49.48
CCN(C1CCCOC1)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007891980	0	36	-1.0	-64.35	303.50	4.32	-60.03
CCN(C1CCCOC1)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007891981	0	39	-1.0	-52.00	319.24	4.60	-47.40
CCN(C1CCCOC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007891982	0	39	-1.0	-49.61	319.55	4.63	-44.98
CCN(C1CCCOC1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007891983	0	39	-1.0	-70.12	309.77	5.64	-64.48
CCN(C1CCCOC1)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007891984	0	37	-1.0	-52.20	305.50	2.23	-49.97
CCN(C1CCCOC1)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007891985	0	39	-1.0	-51.94	321.54	2.63	-49.31
CCN(C1CCCOC1)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007891986	0	36	-1.0	-49.44	309.07	3.70	-45.74
CCN(C1CCCOC1)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007891987	0	36	-1.0	-59.90	291.46	1.77	-58.13
CCN(C1CCCOC1)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007891988	0	44	-1.0	-47.18	332.20	3.55	-43.63
CCN(C1CCCOC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007891989	0	44	-1.0	-47.32	333.80	3.64	-43.68
CCN(C1CCCOC1)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007891990	0	39	-1.0	-70.12	309.77	5.64	-64.48
CCN(C1CCCOC1)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007891991	0	39	-1.0	-61.29	326.45	6.17	-55.12
CCN(C1CCCOC1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007891992	0	36	-1.0	-53.14	303.93	2.97	-50.17
CCN(C1CCCOC1)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300007891993	0	39	-1.0	-50.68	319.90	3.43	-47.25
CCN(C1CCCOC1)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007891994	0	41	-1.0	-59.77	315.71	3.34	-56.43
CCN(C1CCCOC1)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007891995	0	42	-1.0	-58.19	342.75	5.37	-52.82
CCN(C1CCCOC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007891996	0	44	-1.0	-47.32	333.80	3.64	-43.68
CCN(C1CCCOC1)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007891997	0	42	-1.0	-59.19	342.75	5.36	-53.83
CCN(C1CCCOC1)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007891998	0	36	-1.0	-53.14	303.93	2.97	-50.17
CCN(C1CCCOC1)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007891999	0	43	-1.0	-49.00	350.66	4.91	-44.09
CCN(C1CCCOC1)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300007892000	0	43	-1.0	-45.46	352.02	5.58	-39.88
COC1=CC=C(F)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899275	0	38	-1.0	-52.48	316.15	5.18	-47.30
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899276	0	45	-1.0	-52.90	362.72	5.65	-47.25
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007899277	0	45	-1.0	-53.77	380.09	2.21	-51.56
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007899278	0	52	-1.0	-47.36	370.79	6.78	-40.58
CC1=NC2=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=CC=C2C=C1	REAL300007899279	0	42	-1.0	-58.06	343.00	6.93	-51.13
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007899280	0	42	-1.0	-62.93	352.01	7.18	-55.75
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007899281	0	45	-1.0	-52.84	365.01	3.78	-49.06
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899282	0	48	-1.0	-52.64	402.39	6.38	-46.26
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899283	0	48	-1.0	-55.07	393.96	6.38	-48.69
CCCN1C=NC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899284	0	40	-1.0	-51.93	334.83	6.02	-45.91
COCCOCCOCCS(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899285	0	48	-1.0	-54.89	395.73	2.61	-52.28
CC(COC1CCCC1)CS(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899286	0	50	-1.0	-48.30	385.39	6.54	-41.76
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899287	0	41	-1.0	-49.20	356.09	5.55	-43.65
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007899288	0	42	-1.0	-49.66	345.90	3.00	-46.66
COC1=CC(Br)=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899289	0	38	-1.0	-49.98	338.66	5.17	-44.81
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007899290	0	38	-1.0	-51.17	325.91	5.45	-45.72
COC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300007899291	0	40	-1.0	-48.24	340.31	5.91	-42.33
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899292	0	40	-1.0	-47.00	334.05	6.66	-40.34
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899293	0	40	-1.0	-50.72	340.89	7.09	-43.63
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1C(F)(F)F	REAL300007899294	0	40	-1.0	-46.47	339.22	6.67	-39.80
CC(C)C1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899295	0	43	-1.0	-52.94	340.77	7.27	-45.67
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCCN1CCOCC1	REAL300007899296	0	46	-1.0	-52.75	360.96	2.26	-50.49
CCOC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899297	0	41	-1.0	-54.55	339.18	5.48	-49.07
COCCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=N1	REAL300007899298	0	41	-1.0	-49.55	347.61	2.86	-46.69
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007899299	0	41	-1.0	-50.60	349.16	5.70	-44.90
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007899300	0	42	-1.0	-51.85	358.05	7.35	-44.50
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007899301	0	39	-1.0	-48.76	325.98	5.53	-43.23
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007899302	0	37	-1.0	-48.37	329.63	6.53	-41.84
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Br	REAL300007899303	0	37	-1.0	-51.44	327.84	6.56	-44.88
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007899304	0	41	-1.0	-61.21	352.48	3.11	-58.10
CC1=CC(Br)=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899305	0	37	-1.0	-50.75	330.57	6.52	-44.23
CC1=C(Br)C=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899306	0	37	-1.0	-47.21	310.68	6.34	-40.87
COCC1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899307	0	41	-1.0	-51.27	332.22	5.33	-45.94
COC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1Br	REAL300007899308	0	38	-1.0	-46.88	334.71	5.13	-41.75
COC1=CC(OC)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Cl	REAL300007899309	0	42	-1.0	-53.20	355.21	4.98	-48.22
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007899310	0	37	-1.0	-51.41	331.81	4.31	-47.10
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007899311	0	37	-1.0	-50.52	325.78	4.14	-46.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007899312	0	45	-1.0	-49.89	365.12	6.48	-43.41
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007899313	0	37	-1.0	-58.11	324.12	4.34	-53.77
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899314	0	45	-1.0	-60.07	364.63	3.90	-56.17
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899315	0	46	-1.0	-55.40	388.44	4.38	-51.02
CSC1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899316	0	38	-1.0	-54.94	317.11	5.91	-49.03
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007899317	0	42	-1.0	-52.41	363.48	1.95	-50.46
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899318	0	48	-1.0	-53.08	403.92	2.95	-50.13
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007899319	0	45	-1.0	-66.92	372.50	5.13	-61.79
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1F	REAL300007899320	0	45	-1.0	-51.42	384.96	2.85	-48.57
CCC1=CC=C(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899321	0	43	-1.0	-52.84	353.92	7.45	-45.39
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CS1	REAL300007899322	0	37	-1.0	-51.77	322.76	5.88	-45.89
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007899323	0	49	-1.0	-49.67	401.58	5.70	-43.97
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007899324	0	46	-1.0	-54.23	378.42	5.00	-49.23
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899325	0	43	-1.0	-61.06	369.99	3.68	-57.38
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899326	0	44	-1.0	-56.59	370.47	2.63	-53.96
CC1=CC=C(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007899327	0	43	-1.0	-50.93	346.75	7.12	-43.81
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Br	REAL300007899328	0	41	-1.0	-51.76	356.56	6.05	-45.71
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C1=CC=CC=C1	REAL300007899329	0	48	-1.0	-48.96	392.97	8.22	-40.74
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007899330	0	38	-1.0	-50.70	336.23	5.90	-44.80
COC1=CC=C(Br)C(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899331	0	41	-1.0	-53.92	357.24	5.87	-48.05
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCOC(C)(C)C1	REAL300007899332	0	43	-1.0	-48.87	334.00	3.45	-45.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007899333	0	48	-1.0	-50.13	397.81	7.12	-43.01
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899334	0	41	-1.0	-52.05	349.22	6.29	-45.76
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C	REAL300007899335	0	46	-1.0	-51.89	378.58	6.78	-45.11
CCS(=O)(=O)NCCS(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899336	0	41	-1.0	-58.03	348.42	-0.08	-58.11
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)OC2=CC=C(F)C=C12	REAL300007899337	0	40	-1.0	-48.26	342.34	6.46	-41.80
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007899338	0	37	-1.0	-50.44	343.49	7.18	-43.26
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC(Cl)=CC=C2S1	REAL300007899339	0	40	-1.0	-53.56	350.95	8.04	-45.52
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007899340	0	37	-1.0	-46.71	332.37	6.81	-39.90
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007899341	0	40	-1.0	-49.49	335.32	7.61	-41.88
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007899342	0	40	-1.0	-49.86	345.80	6.95	-42.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007899343	0	45	-1.0	-53.24	368.43	6.63	-46.61
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007899344	0	48	-1.0	-51.03	396.12	8.67	-42.36
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007899345	0	47	-1.0	-56.19	392.20	6.73	-49.46
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007899346	0	45	-1.0	-56.21	384.58	2.24	-53.97
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CC(C)=C2S1	REAL300007899347	0	43	-1.0	-47.73	349.57	7.95	-39.78
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1N(C)C	REAL300007899348	0	45	-1.0	-50.14	359.39	5.82	-44.32
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007899349	0	40	-1.0	-53.78	348.72	7.23	-46.55
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007899350	0	39	-1.0	-54.31	322.45	2.23	-52.08
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCOCC1CCCC1	REAL300007899351	0	47	-1.0	-47.96	369.31	5.65	-42.31
COC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Cl	REAL300007899352	0	41	-1.0	-50.19	337.88	5.65	-44.54
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007899353	0	43	-1.0	-58.40	369.02	3.42	-54.98
CSC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Cl	REAL300007899354	0	38	-1.0	-51.66	339.99	6.64	-45.02
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899355	0	46	-1.0	-49.50	357.39	5.60	-43.90
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007899356	0	42	-1.0	-47.90	359.00	3.80	-44.10
CCC1=NOC2=NC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C12	REAL300007899357	0	41	-1.0	-52.68	349.09	2.96	-49.72
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007899358	0	45	-1.0	-48.29	384.20	5.05	-43.24
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C(=C1)C=NN2C	REAL300007899359	0	39	-1.0	-49.68	332.02	4.37	-45.31
CCC1=CC(CC)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(CC)=C1	REAL300007899360	0	52	-1.0	-46.58	376.72	9.11	-37.47
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007899361	0	41	-1.0	-58.18	333.80	5.27	-52.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007899362	0	40	-1.0	-48.30	356.46	3.32	-44.98
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007899363	0	43	-1.0	-60.29	351.98	9.05	-51.24
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1F	REAL300007899364	0	41	-1.0	-51.88	327.76	5.12	-46.76
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1(C)CCCCC1	REAL300007899365	0	46	-1.0	-51.16	337.11	6.77	-44.39
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007899366	0	43	-1.0	-52.39	348.75	6.65	-45.74
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007899368	0	42	-1.0	-50.43	357.30	6.53	-43.90
COCC1=CC(Cl)=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899369	0	41	-1.0	-51.22	359.66	5.48	-45.74
CC1=CC=C(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)C(F)=C1	REAL300007899370	0	40	-1.0	-56.56	337.73	6.70	-49.86
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007899372	0	34	-1.0	-46.00	320.43	5.44	-40.56
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007899373	0	47	-1.0	-50.49	373.32	8.48	-42.01
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007899374	0	45	-1.0	-54.49	366.45	5.92	-48.57
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007899375	0	43	-1.0	-62.20	348.41	2.45	-59.75
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007899376	0	37	-1.0	-47.28	321.37	5.65	-41.63
CC1=C(CCS(=O)(=O)N(CCC(=O)[O-])C(C)C)SC=N1	REAL300007899377	0	39	-1.0	-52.15	336.05	4.51	-47.64
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)C2	REAL300007899378	0	44	-1.0	-48.61	329.25	6.65	-41.96
COC1=CC=C2C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)CCC2=C1	REAL300007899379	0	46	-1.0	-50.38	364.64	6.74	-43.64
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC12CCC(CC1)CC2	REAL300007899380	0	47	-1.0	-51.95	344.70	7.28	-44.67
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007899381	0	45	-1.0	-65.20	357.82	2.29	-62.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1CCCCC1(F)F	REAL300007899382	0	43	-1.0	-48.59	338.46	6.35	-42.24
CC(C)N(CCC(=O)[O-])S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007899383	0	41	-1.0	-50.56	334.98	7.30	-43.26
CCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007899384	0	42	-1.0	-58.65	346.86	6.98	-51.67
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007899385	0	34	-1.0	-48.33	304.54	5.76	-42.57
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007899386	0	34	-1.0	-48.21	309.10	5.87	-42.34
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007899387	0	36	-1.0	-47.05	313.01	5.82	-41.23
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007899388	0	40	-1.0	-51.10	330.69	7.44	-43.66
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007899389	0	36	-1.0	-57.31	316.05	5.93	-51.38
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899390	0	39	-1.0	-42.66	317.51	6.19	-36.47
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899391	0	38	-1.0	-48.30	314.29	4.45	-43.85
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007899392	0	36	-1.0	-63.38	303.88	6.89	-56.49
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899393	0	41	-1.0	-51.25	351.74	6.62	-44.63
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899394	0	41	-1.0	-49.81	336.13	5.39	-44.42
CC1=CC(C)=C(C)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1C	REAL300007899395	0	46	-1.0	-48.08	336.29	7.35	-40.73
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1	REAL300007899396	0	43	-1.0	-49.83	329.44	7.17	-42.66
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899397	0	49	-1.0	-46.53	365.51	7.84	-38.69
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007899398	0	37	-1.0	-52.58	326.56	6.26	-46.32
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007899399	0	37	-1.0	-54.68	312.39	6.56	-48.12
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007899400	0	34	-1.0	-51.41	304.56	5.78	-45.63
CC(=O)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899401	0	39	-1.0	-55.08	327.52	5.65	-49.43
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007899402	0	40	-1.0	-46.45	340.30	5.91	-40.54
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=C1	REAL300007899403	0	46	-1.0	-48.88	360.99	7.49	-41.39
CC(C)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899404	0	43	-1.0	-48.88	345.02	7.08	-41.80
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007899405	0	45	-1.0	-53.15	380.38	3.15	-50.00
CCCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899406	0	43	-1.0	-48.82	349.17	7.38	-41.44
COC1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899407	0	38	-1.0	-53.91	310.35	5.13	-48.78
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Br	REAL300007899408	0	38	-1.0	-51.90	334.69	5.13	-46.77
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1Br	REAL300007899409	0	37	-1.0	-46.63	324.29	6.35	-40.28
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C2)=C1	REAL300007899410	0	48	-1.0	-50.48	398.80	8.80	-41.68
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007899411	0	38	-1.0	-45.52	330.75	4.96	-40.56
CC1=C(C)C(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1C	REAL300007899412	0	49	-1.0	-49.03	349.61	7.80	-41.23
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007899413	0	43	-1.0	-51.58	347.58	5.12	-46.46
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899414	0	50	-1.0	-52.85	385.80	7.42	-45.43
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007899415	0	39	-1.0	-58.71	329.01	6.37	-52.34
COC1=CC=C(Br)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899416	0	38	-1.0	-51.58	331.06	5.73	-45.85
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899417	0	52	-1.0	-47.41	379.87	8.67	-38.74
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007899418	0	37	-1.0	-46.48	323.53	6.16	-40.32
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007899419	0	44	-1.0	-51.66	350.55	7.75	-43.91
COC1=CC=C(OC)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899420	0	42	-1.0	-54.81	339.21	4.40	-50.41
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1OC	REAL300007899421	0	42	-1.0	-51.67	343.51	4.37	-47.30
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007899422	0	41	-1.0	-52.07	333.41	7.14	-44.93
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007899423	0	42	-1.0	-49.10	335.16	7.44	-41.66
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007899424	0	39	-1.0	-51.30	323.99	5.10	-46.20
CC(C)CCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899425	0	49	-1.0	-48.78	388.24	8.67	-40.11
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1OCC	REAL300007899426	0	48	-1.0	-48.79	387.22	6.21	-42.58
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007899427	0	39	-1.0	-54.08	339.02	0.12	-53.96
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC([N+](=O)[O-])=C1C	REAL300007899428	0	42	-1.0	-48.20	352.11	7.06	-41.14
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1C	REAL300007899429	0	42	-1.0	-47.45	340.18	6.86	-40.59
CC1=CC2=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C2N=C1	REAL300007899430	0	42	-1.0	-54.52	342.75	6.98	-47.54
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C([N+](=O)[O-])=C1	REAL300007899431	0	40	-1.0	-59.82	333.35	6.19	-53.63
COC1=CC(Cl)=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899432	0	38	-1.0	-50.34	327.05	5.63	-44.71
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007899433	0	39	-1.0	-59.76	342.07	0.21	-59.55
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007899434	0	46	-1.0	-50.47	386.08	2.77	-47.70
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007899435	0	42	-1.0	-51.95	354.85	6.78	-45.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007899436	0	43	-1.0	-49.59	334.95	6.14	-43.45
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CN=C12	REAL300007899437	0	42	-1.0	-51.04	333.75	6.05	-44.99
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007899438	0	42	-1.0	-56.91	334.64	7.84	-49.07
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007899439	0	45	-1.0	-51.03	381.11	3.12	-47.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007899440	0	46	-1.0	-50.79	371.29	4.49	-46.30
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007899441	0	40	-1.0	-61.52	348.53	2.78	-58.74
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007899442	0	44	-1.0	-54.87	358.29	9.10	-45.77
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CC(C)CC(C)C1	REAL300007899443	0	45	-1.0	-50.22	343.49	5.80	-44.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007899444	0	40	-1.0	-51.01	318.56	7.10	-43.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007899445	0	44	-1.0	-50.52	358.96	8.58	-41.94
CC1=CC=C(F)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899446	0	37	-1.0	-50.79	308.21	6.15	-44.64
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007899447	0	48	-1.0	-49.90	372.02	6.95	-42.95
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007899448	0	35	-1.0	-58.01	308.63	3.71	-54.30
COC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899449	0	38	-1.0	-51.65	326.48	5.63	-46.02
COC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899450	0	38	-1.0	-53.53	314.29	4.46	-49.07
CCC(C)(C)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899451	0	49	-1.0	-48.77	375.22	7.94	-40.83
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Cl	REAL300007899452	0	37	-1.0	-45.89	320.26	6.26	-39.63
CC(C)OC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899453	0	44	-1.0	-49.88	353.88	6.01	-43.87
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007899454	0	37	-1.0	-48.47	325.06	6.42	-42.05
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007899455	0	35	-1.0	-60.58	301.08	4.08	-56.50
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007899456	0	39	-1.0	-55.92	342.65	7.88	-48.04
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007899457	0	39	-1.0	-57.86	321.62	6.33	-51.53
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007899458	0	45	-1.0	-51.91	390.87	8.61	-43.30
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899459	0	40	-1.0	-49.31	338.54	5.80	-43.51
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1F	REAL300007899460	0	38	-1.0	-53.41	320.50	4.54	-48.87
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1F	REAL300007899461	0	37	-1.0	-45.78	311.51	5.86	-39.92
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007899462	0	45	-1.0	-47.97	391.03	8.57	-39.40
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C2)C=C1	REAL300007899463	0	49	-1.0	-49.59	403.82	7.34	-42.25
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C(C)C)=C1	REAL300007899464	0	61	-1.0	-50.05	438.37	10.94	-39.11
CC(C)OC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007899465	0	50	-1.0	-51.35	385.80	8.03	-43.32
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007899466	0	37	-1.0	-47.41	340.25	6.88	-40.53
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007899467	0	44	-1.0	-51.21	346.91	6.45	-44.76
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899468	0	39	-1.0	-46.73	323.53	6.33	-40.40
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899469	0	39	-1.0	-46.89	315.21	6.30	-40.59
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899470	0	42	-1.0	-51.32	336.74	7.38	-43.94
CC(C)CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899471	0	46	-1.0	-48.89	365.94	7.84	-41.05
COCCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899472	0	44	-1.0	-49.35	361.34	5.68	-43.67
COCCN(CCOC)S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899473	0	46	-1.0	-47.56	355.73	2.28	-45.28
CC1=CC=C(Cl)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899474	0	37	-1.0	-50.32	318.55	6.60	-43.72
COC1=C(C)C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007899475	0	44	-1.0	-50.49	361.44	6.13	-44.36
CC(C)CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899476	0	50	-1.0	-47.81	396.70	7.48	-40.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007899477	0	48	-1.0	-49.35	379.15	7.36	-41.99
CC(C)COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899478	0	47	-1.0	-47.88	377.74	6.88	-41.00
CCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899479	0	44	-1.0	-47.91	357.64	6.18	-41.73
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Cl	REAL300007899480	0	38	-1.0	-52.06	330.31	5.02	-47.04
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007899481	0	38	-1.0	-51.27	343.10	5.39	-45.88
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007899482	0	41	-1.0	-48.52	334.35	5.21	-43.31
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1OC(C)C	REAL300007899483	0	47	-1.0	-48.63	373.79	6.76	-41.87
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1	REAL300007899484	0	41	-1.0	-50.19	324.77	4.98	-45.21
COCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899485	0	45	-1.0	-52.16	369.75	4.66	-47.50
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1F	REAL300007899486	0	37	-1.0	-52.68	316.34	6.04	-46.64
CC1=CC(Br)=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899487	0	37	-1.0	-47.20	316.60	6.29	-40.91
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1C	REAL300007899488	0	42	-1.0	-61.85	326.16	7.33	-54.52
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899489	0	43	-1.0	-52.41	350.00	3.04	-49.37
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007899490	0	46	-1.0	-53.36	393.79	3.00	-50.36
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899491	0	42	-1.0	-53.79	361.39	1.32	-52.47
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899492	0	42	-1.0	-54.34	345.37	3.38	-50.96
CC1=NC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)S1	REAL300007899493	0	36	-1.0	-49.60	308.73	3.67	-45.93
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007899494	0	37	-1.0	-49.01	315.49	6.31	-42.70
COC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1F	REAL300007899495	0	38	-1.0	-47.03	320.51	4.53	-42.50
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007899496	0	44	-1.0	-54.90	362.03	8.67	-46.23
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007899497	0	37	-1.0	-47.95	341.79	6.92	-41.03
CC1=NC(C2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)S2)=CS1	REAL300007899498	0	40	-1.0	-50.63	364.69	5.74	-44.89
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007899499	0	54	-1.0	-49.52	419.36	8.78	-40.74
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899500	0	42	-1.0	-59.71	343.40	6.97	-52.74
CNC(=O)C1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CN1C	REAL300007899501	0	42	-1.0	-51.21	348.96	2.79	-48.42
COC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1	REAL300007899502	0	44	-1.0	-48.51	333.09	5.64	-42.87
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007899503	0	45	-1.0	-51.46	371.89	9.35	-42.11
COC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007899504	0	44	-1.0	-50.20	341.94	5.84	-44.36
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CN=C2C=C1	REAL300007899505	0	42	-1.0	-48.54	328.92	6.29	-42.25
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007899506	0	39	-1.0	-55.73	322.00	5.91	-49.82
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007899507	0	47	-1.0	-56.85	387.68	9.08	-47.77
CCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C([N+](=O)[O-])=N1	REAL300007899508	0	39	-1.0	-58.88	338.13	5.99	-52.89
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007899509	0	41	-1.0	-51.45	355.70	5.85	-45.60
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007899510	0	48	-1.0	-50.89	396.04	8.43	-42.46
CCC(=O)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899511	0	42	-1.0	-63.15	350.91	6.53	-56.62
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007899512	0	44	-1.0	-50.36	373.83	6.81	-43.55
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007899513	0	37	-1.0	-55.89	307.57	4.16	-51.73
CC(C)CCN(CCC(C)C)S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899514	0	56	-1.0	-49.41	421.89	8.04	-41.37
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007899515	0	42	-1.0	-58.74	361.95	1.78	-56.96
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(F)=C1	REAL300007899516	0	37	-1.0	-48.61	314.74	5.98	-42.63
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007899517	0	47	-1.0	-51.08	368.75	7.39	-43.69
CCOC1=CC=C(C)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899518	0	44	-1.0	-51.91	351.87	6.66	-45.25
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007899519	0	39	-1.0	-66.82	336.10	5.44	-61.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007899520	0	41	-1.0	-53.94	348.42	6.35	-47.59
CCOCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899521	0	48	-1.0	-52.16	391.61	5.62	-46.54
CCCCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899522	0	50	-1.0	-47.80	400.64	7.74	-40.06
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007899523	0	44	-1.0	-53.06	341.83	7.86	-45.20
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007899524	0	40	-1.0	-51.62	335.66	7.08	-44.54
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007899525	0	38	-1.0	-45.22	341.16	6.63	-38.59
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007899526	0	39	-1.0	-49.53	323.64	4.53	-45.00
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007899527	0	42	-1.0	-57.45	350.93	6.54	-50.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007899528	0	40	-1.0	-52.80	321.87	1.38	-51.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007899529	0	39	-1.0	-49.15	333.05	5.34	-43.81
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1	REAL300007899530	0	44	-1.0	-49.87	346.49	5.89	-43.98
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899531	0	42	-1.0	-59.85	364.44	1.43	-58.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007899532	0	38	-1.0	-50.62	320.08	5.40	-45.22
CSC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899533	0	38	-1.0	-47.73	324.99	6.18	-41.55
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007899534	0	40	-1.0	-48.47	347.39	6.93	-41.54
CCN(CC1=CC=CC=C1)S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899535	0	45	-1.0	-49.98	353.03	6.85	-43.13
CCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)N=C1C	REAL300007899536	0	40	-1.0	-57.75	333.56	5.03	-52.72
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007899537	0	40	-1.0	-51.79	322.58	4.84	-46.95
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007899538	0	39	-1.0	-53.38	321.91	5.80	-47.58
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007899539	0	46	-1.0	-50.54	374.39	7.02	-43.52
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C(F)(F)F	REAL300007899540	0	40	-1.0	-45.31	339.21	6.68	-38.63
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007899541	0	40	-1.0	-52.72	361.09	5.95	-46.77
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007899542	0	43	-1.0	-50.24	352.66	6.85	-43.39
CC1=NN(C)C2=NC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C12	REAL300007899543	0	42	-1.0	-49.43	353.99	4.97	-44.46
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899544	0	41	-1.0	-53.78	355.93	5.88	-47.90
COCC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899545	0	41	-1.0	-53.20	342.89	4.98	-48.22
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007899546	0	45	-1.0	-57.92	361.49	6.59	-51.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007899547	0	37	-1.0	-51.64	324.59	6.45	-45.19
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007899548	0	46	-1.0	-58.05	381.38	3.67	-54.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007899549	0	41	-1.0	-51.64	357.03	5.80	-45.84
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007899550	0	42	-1.0	-54.65	338.65	5.75	-48.90
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007899551	0	37	-1.0	-50.88	335.25	6.80	-44.08
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OC(C)CC2=C1	REAL300007899552	0	42	-1.0	-51.08	344.91	5.85	-45.23
CCC1=CC=CC(CC)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899553	0	46	-1.0	-46.64	331.79	7.71	-38.93
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899554	0	46	-1.0	-54.30	375.31	4.13	-50.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007899555	0	45	-1.0	-50.71	394.10	8.64	-42.07
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007899556	0	40	-1.0	-50.10	354.09	5.93	-44.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007899557	0	40	-1.0	-52.42	371.42	6.40	-46.02
CC1=NC(C2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C2)=CO1	REAL300007899558	0	43	-1.0	-56.40	361.17	4.22	-52.18
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007899559	0	37	-1.0	-54.75	328.73	4.02	-50.73
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007899560	0	37	-1.0	-49.23	314.99	5.58	-43.65
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007899561	0	37	-1.0	-49.21	313.91	3.91	-45.30
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=N1	REAL300007899562	0	37	-1.0	-50.02	315.04	1.94	-48.08
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCN12	REAL300007899563	0	38	-1.0	-55.05	315.99	4.70	-50.35
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007899564	0	42	-1.0	-51.71	341.53	5.89	-45.82
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007899565	0	41	-1.0	-51.74	329.84	7.05	-44.69
CC1=CC=C(N2C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=N2)C=C1	REAL300007899566	0	44	-1.0	-50.70	369.83	7.04	-43.66
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007899567	0	42	-1.0	-51.90	358.58	6.27	-45.63
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1[N+](=O)[O-]	REAL300007899568	0	39	-1.0	-47.72	331.75	6.44	-41.28
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=N1	REAL300007899569	0	45	-1.0	-56.73	375.41	6.00	-50.73
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007899570	0	36	-1.0	-51.79	319.85	4.73	-47.06
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)C=C1	REAL300007899571	0	42	-1.0	-50.73	336.27	5.57	-45.16
CC1=CC2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C2C=C1	REAL300007899572	0	43	-1.0	-51.03	352.03	8.09	-42.94
COC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)SC=C1	REAL300007899573	0	35	-1.0	-55.71	309.14	3.94	-51.77
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(N(C)C)=C1	REAL300007899574	0	42	-1.0	-52.59	339.33	5.65	-46.94
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007899575	0	39	-1.0	-56.31	319.97	5.18	-51.13
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007899576	0	39	-1.0	-57.63	331.68	5.25	-52.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007899577	0	39	-1.0	-51.09	323.66	5.08	-46.01
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007899578	0	40	-1.0	-48.61	346.56	7.20	-41.41
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007899579	0	46	-1.0	-49.91	358.71	5.73	-44.18
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007899580	0	36	-1.0	-49.94	322.59	4.47	-45.47
COC1=CC=CC(OC)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899581	0	42	-1.0	-57.83	341.15	5.74	-52.09
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899582	0	42	-1.0	-52.04	340.67	6.90	-45.14
CC1=CC=C(C)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1[N+](=O)[O-]	REAL300007899583	0	42	-1.0	-65.12	336.10	8.01	-57.11
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1[N+](=O)[O-]	REAL300007899584	0	42	-1.0	-52.38	336.66	6.98	-45.40
COC1=CC=C(CCS(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899585	0	44	-1.0	-50.75	359.33	5.98	-44.77
COC1=CN=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899586	0	37	-1.0	-49.61	309.40	2.63	-46.98
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007899587	0	43	-1.0	-49.53	360.85	6.89	-42.64
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007899588	0	41	-1.0	-48.98	334.01	7.27	-41.71
COC1=CC(OC)=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899589	0	42	-1.0	-53.35	346.84	3.85	-49.50
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1CCCCC1	REAL300007899590	0	46	-1.0	-48.32	350.61	6.87	-41.45
CC1=CC=C(CCS(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899591	0	43	-1.0	-49.28	351.24	7.36	-41.92
CC1=CC2=C(C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C)OCO2	REAL300007899592	0	40	-1.0	-48.61	321.95	4.34	-44.27
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007899593	0	37	-1.0	-56.43	312.30	5.56	-50.87
COC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1Cl	REAL300007899594	0	38	-1.0	-46.88	330.32	5.01	-41.87
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)N=CN2C	REAL300007899595	0	40	-1.0	-55.28	336.13	6.58	-48.70
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300007899596	0	42	-1.0	-58.88	332.83	6.63	-52.25
CC1=NC2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C2O1	REAL300007899597	0	39	-1.0	-51.44	331.72	2.92	-48.52
CCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1CC	REAL300007899598	0	46	-1.0	-50.19	361.85	7.73	-42.46
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899599	0	42	-1.0	-46.23	336.27	7.16	-39.07
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899600	0	44	-1.0	-50.24	342.23	6.64	-43.60
CC1=C(C)SC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899601	0	37	-1.0	-51.75	320.81	5.63	-46.12
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CN=C1N	REAL300007899602	0	35	-1.0	-47.02	301.08	3.18	-43.84
CCC1=NC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)S1	REAL300007899603	0	36	-1.0	-48.93	315.35	3.72	-45.21
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(N(C)C)N=C1	REAL300007899604	0	41	-1.0	-53.30	336.63	5.07	-48.23
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)S1	REAL300007899605	0	37	-1.0	-46.88	310.17	5.68	-41.20
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007899606	0	40	-1.0	-58.79	334.53	7.31	-51.48
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007899607	0	37	-1.0	-55.59	312.41	3.89	-51.70
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC(C)=C1F	REAL300007899608	0	40	-1.0	-48.44	334.88	6.58	-41.86
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007899609	0	41	-1.0	-50.09	340.77	4.92	-45.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007899610	0	47	-1.0	-50.93	385.35	6.74	-44.19
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007899611	0	38	-1.0	-51.46	315.63	5.01	-46.45
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007899612	0	36	-1.0	-57.90	314.65	5.00	-52.90
CC1=NC(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)=CS1	REAL300007899613	0	36	-1.0	-50.29	314.91	3.59	-46.70
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007899614	0	37	-1.0	-51.87	327.77	6.53	-45.34
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1Cl	REAL300007899615	0	37	-1.0	-46.75	320.26	6.26	-40.49
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007899616	0	40	-1.0	-62.16	335.97	6.23	-55.93
CC1=CSC(C2=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C2)=N1	REAL300007899617	0	43	-1.0	-48.87	371.01	6.63	-42.24
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007899618	0	42	-1.0	-52.40	331.26	6.43	-45.97
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007899619	0	41	-1.0	-58.55	352.97	3.10	-55.45
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007899620	0	43	-1.0	-50.40	343.20	5.62	-44.78
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007899621	0	37	-1.0	-51.43	330.89	6.52	-44.91
CCCCCCCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899622	0	59	-1.0	-47.79	465.13	10.08	-37.71
CCC(C)OC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899623	0	47	-1.0	-54.75	377.82	6.91	-47.84
COC(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)C1CCCC1	REAL300007899624	0	47	-1.0	-49.43	359.55	5.66	-43.77
COC(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)C1CCCCC1	REAL300007899625	0	50	-1.0	-51.20	376.51	6.21	-44.99
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007899626	0	48	-1.0	-54.44	402.26	8.52	-45.92
CCOC(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)C1CC1	REAL300007899627	0	44	-1.0	-47.70	349.19	5.50	-42.20
CCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C(C)C	REAL300007899628	0	53	-1.0	-47.90	416.24	8.21	-39.69
CCC1=NC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CN1CC1CC1	REAL300007899629	0	47	-1.0	-53.85	381.97	7.04	-46.81
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007899630	0	37	-1.0	-50.23	327.60	4.75	-45.48
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1[N+](=O)[O-]	REAL300007899631	0	42	-1.0	-54.72	341.76	7.34	-47.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=NN1C	REAL300007899632	0	41	-1.0	-48.41	330.49	5.03	-43.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007899633	0	47	-1.0	-48.92	386.70	7.42	-41.50
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007899634	0	37	-1.0	-46.63	323.68	3.59	-43.04
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007899635	0	45	-1.0	-53.77	388.07	9.35	-44.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007899636	0	44	-1.0	-57.11	349.16	8.55	-48.56
CCC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C(C)C=C1OC	REAL300007899637	0	47	-1.0	-51.61	372.81	6.80	-44.81
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007899638	0	40	-1.0	-46.27	356.01	7.03	-39.24
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300007899639	0	36	-1.0	-57.76	315.69	4.16	-53.60
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CC=C2C=C1	REAL300007899640	0	43	-1.0	-49.56	333.63	8.17	-41.39
CC(C)OC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=N1	REAL300007899641	0	43	-1.0	-48.49	357.03	3.79	-44.70
COC1=C(F)C=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899642	0	38	-1.0	-47.10	313.15	5.36	-41.74
CCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C(C)C	REAL300007899643	0	50	-1.0	-48.13	394.74	7.41	-40.72
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007899644	0	46	-1.0	-45.53	363.01	7.41	-38.12
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007899645	0	53	-1.0	-52.55	412.89	9.82	-42.73
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007899646	0	44	-1.0	-49.24	342.34	5.15	-44.09
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007899647	0	46	-1.0	-53.28	359.07	5.57	-47.71
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007899648	0	44	-1.0	-49.19	355.28	5.60	-43.59
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007899649	0	37	-1.0	-44.12	313.37	3.93	-40.19
COC1=CC=C(F)C=C1CS(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899650	0	41	-1.0	-54.05	345.62	5.43	-48.62
C=CCCC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899651	0	44	-1.0	-49.11	361.98	7.95	-41.16
CCC1=NN(C)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899652	0	40	-1.0	-52.03	324.91	4.10	-47.93
CCCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C(C)C	REAL300007899653	0	56	-1.0	-49.89	437.74	9.00	-40.89
CC(C)N(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007899654	0	38	-1.0	-49.71	336.49	6.94	-42.77
CCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C(C)(C)C	REAL300007899655	0	56	-1.0	-47.89	428.79	8.88	-39.01
CCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1CC	REAL300007899656	0	50	-1.0	-49.79	399.33	7.69	-42.10
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899657	0	40	-1.0	-44.95	320.39	6.86	-38.09
CC1=CC(Br)=CC=C1CS(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899658	0	40	-1.0	-51.68	348.12	7.19	-44.49
CC(C)N(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007899659	0	38	-1.0	-50.76	334.00	6.85	-43.91
CCCC1=CC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899660	0	43	-1.0	-52.53	339.87	7.77	-44.76
COC1=NC=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899661	0	37	-1.0	-54.05	308.09	2.51	-51.54
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899662	0	50	-1.0	-50.20	401.99	8.03	-42.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007899663	0	39	-1.0	-49.72	312.31	5.17	-44.55
CC1=CSC(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899664	0	37	-1.0	-47.30	304.07	5.71	-41.59
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007899665	0	41	-1.0	-53.09	337.75	4.92	-48.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007899666	0	41	-1.0	-48.03	334.88	5.12	-42.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007899667	0	44	-1.0	-49.38	353.61	5.84	-43.54
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007899668	0	45	-1.0	-53.99	360.50	3.32	-50.67
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007899669	0	40	-1.0	-50.64	352.17	6.05	-44.59
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2CCCCN12	REAL300007899670	0	41	-1.0	-53.13	332.22	5.28	-47.85
CCCCCOC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C(C)C	REAL300007899671	0	59	-1.0	-47.73	459.24	9.78	-37.95
COC1=CC(C(C)C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007899672	0	50	-1.0	-51.13	378.73	7.04	-44.09
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899673	0	44	-1.0	-52.90	351.31	6.59	-46.31
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2OC(C)CC2=CC=C1	REAL300007899674	0	42	-1.0	-57.05	340.92	5.95	-51.10
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007899675	0	42	-1.0	-49.28	354.01	4.80	-44.48
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007899676	0	40	-1.0	-52.63	336.28	5.72	-46.91
CC1=NN2C=CC=NC2=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899677	0	39	-1.0	-58.05	323.57	4.57	-53.48
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007899678	0	43	-1.0	-49.66	333.71	5.20	-44.46
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007899679	0	38	-1.0	-50.74	338.16	5.64	-45.10
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007899680	0	35	-1.0	-49.12	302.74	4.04	-45.08
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007899681	0	37	-1.0	-53.66	326.71	6.69	-46.97
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(C2CC2)=NN1C	REAL300007899682	0	41	-1.0	-49.14	332.61	4.76	-44.38
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1F	REAL300007899683	0	43	-1.0	-44.93	329.67	7.15	-37.78
COC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1OC	REAL300007899684	0	42	-1.0	-49.76	336.17	5.08	-44.68
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=COC2=CC=CC=C12	REAL300007899685	0	37	-1.0	-50.10	313.24	5.42	-44.68
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007899686	0	47	-1.0	-53.42	371.09	5.97	-47.45
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899687	0	46	-1.0	-49.51	363.08	5.74	-43.77
CCCCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=N1	REAL300007899688	0	46	-1.0	-52.16	369.31	5.81	-46.35
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CC1	REAL300007899689	0	41	-1.0	-50.22	330.88	4.80	-45.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007899690	0	38	-1.0	-49.46	324.03	4.74	-44.72
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2N=NN(C)C2=CC=C1	REAL300007899691	0	39	-1.0	-68.10	328.62	3.78	-64.32
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1Br	REAL300007899692	0	40	-1.0	-44.07	328.76	6.74	-37.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCCC(C)(C)C1	REAL300007899693	0	45	-1.0	-47.79	338.18	5.48	-42.31
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007899694	0	40	-1.0	-47.97	356.07	6.38	-41.59
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007899695	0	44	-1.0	-51.25	348.38	5.21	-46.04
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899696	0	52	-1.0	-51.00	391.17	9.01	-41.99
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007899697	0	40	-1.0	-52.37	359.03	7.13	-45.24
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007899698	0	44	-1.0	-49.58	361.85	5.90	-43.68
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007899699	0	38	-1.0	-50.01	321.03	6.34	-43.67
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007899700	0	45	-1.0	-53.45	379.55	8.11	-45.34
COC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=NC=CC=C2C=C1	REAL300007899701	0	43	-1.0	-58.34	349.06	6.40	-51.94
CCCC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899702	0	43	-1.0	-51.74	352.22	7.47	-44.27
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2CCCC2=NN1C	REAL300007899703	0	41	-1.0	-48.73	325.95	4.53	-44.20
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)(C)C	REAL300007899704	0	43	-1.0	-50.23	332.16	4.88	-45.35
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C(C)(C)C)N=C1	REAL300007899705	0	43	-1.0	-49.76	352.35	4.96	-44.80
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007899706	0	41	-1.0	-49.97	324.01	3.83	-46.14
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CN=C1C(F)(F)F	REAL300007899707	0	39	-1.0	-49.61	335.74	4.95	-44.66
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007899708	0	37	-1.0	-46.80	333.00	6.32	-40.48
CCCC(=O)C1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899709	0	45	-1.0	-62.94	372.41	7.29	-55.65
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007899710	0	45	-1.0	-52.65	356.44	8.32	-44.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007899711	0	40	-1.0	-49.67	350.27	6.29	-43.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007899712	0	40	-1.0	-48.91	324.75	5.54	-43.37
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007899713	0	41	-1.0	-53.71	340.33	3.64	-50.07
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007899714	0	34	-1.0	-53.03	308.87	5.42	-47.61
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007899715	0	41	-1.0	-50.83	334.01	7.27	-43.56
COC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=CS1	REAL300007899716	0	35	-1.0	-51.97	305.92	3.80	-48.17
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007899717	0	44	-1.0	-48.83	351.30	5.80	-43.03
CCC(C)N1N=CC=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899718	0	43	-1.0	-48.87	344.77	5.02	-43.85
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)C1CCCCCC1	REAL300007899719	0	48	-1.0	-49.33	354.53	6.10	-43.23
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007899720	0	48	-1.0	-53.46	380.75	4.23	-49.23
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007899721	0	40	-1.0	-53.60	341.04	6.79	-46.81
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007899722	0	38	-1.0	-52.87	327.08	4.84	-48.03
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007899723	0	49	-1.0	-50.75	383.32	7.91	-42.84
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)S1	REAL300007899724	0	35	-1.0	-49.45	311.65	3.69	-45.76
CC1=CC(C)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300007899725	0	45	-1.0	-56.79	353.64	7.43	-49.36
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007899726	0	42	-1.0	-49.16	338.84	5.18	-43.98
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(CCF)N=C1	REAL300007899727	0	37	-1.0	-53.00	320.53	3.94	-49.06
CCOCC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899728	0	44	-1.0	-53.28	364.75	5.95	-47.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007899729	0	44	-1.0	-48.73	361.30	6.40	-42.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007899730	0	47	-1.0	-52.34	374.24	6.18	-46.16
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007899731	0	45	-1.0	-48.90	373.15	8.03	-40.87
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1CF	REAL300007899732	0	37	-1.0	-54.31	306.87	6.22	-48.09
CC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC(C)=C1Br	REAL300007899733	0	40	-1.0	-48.70	345.55	6.99	-41.71
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=CC=CC=C12	REAL300007899734	0	43	-1.0	-51.75	336.31	7.64	-44.11
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007899735	0	44	-1.0	-58.34	364.83	6.42	-51.92
CC(C)N(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007899736	0	38	-1.0	-47.08	325.65	6.52	-40.56
CC(C)N(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007899737	0	38	-1.0	-49.63	341.05	7.04	-42.59
CC(C)N(CCC(=O)[O-])S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007899738	0	38	-1.0	-46.71	340.53	7.07	-39.64
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007899739	0	39	-1.0	-55.71	327.77	-0.85	-56.56
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007899740	0	37	-1.0	-55.21	308.00	5.34	-49.87
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1CCC(F)(F)CC1	REAL300007899741	0	40	-1.0	-46.82	314.95	5.43	-41.39
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007899742	0	36	-1.0	-50.71	318.81	4.64	-46.07
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCOC1CCOC1	REAL300007899743	0	42	-1.0	-51.27	339.40	2.38	-48.89
CC1=NC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300007899744	0	43	-1.0	-57.16	361.93	4.42	-52.74
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007899745	0	51	-1.0	-52.47	364.28	8.15	-44.32
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1CC(C)(C)CO1	REAL300007899746	0	44	-1.0	-49.17	345.15	4.37	-44.80
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007899747	0	37	-1.0	-59.23	318.26	0.97	-58.26
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC(C)(C)C(C)(F)F	REAL300007899748	0	42	-1.0	-50.60	326.25	5.74	-44.86
CC(C)N(CCC(=O)[O-])S(=O)(=O)CCCCS(C)(=O)=O	REAL300007899749	0	42	-1.0	-61.48	357.73	2.10	-59.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1CCC(C)(C)CO1	REAL300007899750	0	47	-1.0	-51.87	358.84	5.53	-46.34
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007899751	0	44	-1.0	-48.20	355.10	7.48	-40.72
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007899752	0	38	-1.0	-60.11	335.26	4.33	-55.78
CC(C)N(CCC(=O)[O-])S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007899753	0	44	-1.0	-52.54	367.70	8.12	-44.42
CC(C)N(CCC(=O)[O-])S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007899754	0	43	-1.0	-52.99	337.02	2.63	-50.36
CC(C)N(CCC(=O)[O-])S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007899755	0	47	-1.0	-48.83	351.96	7.18	-41.65
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007899756	0	38	-1.0	-47.59	329.08	6.50	-41.09
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007899757	0	56	-1.0	-49.35	414.38	9.33	-40.02
COC1=CC=C(C=C(C)S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899758	0	45	-1.0	-49.23	362.73	6.26	-42.97
COC1=CSC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1OC	REAL300007899759	0	39	-1.0	-50.19	331.84	3.03	-47.16
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007899760	0	46	-1.0	-48.95	342.81	5.58	-43.37
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007899761	0	45	-1.0	-50.05	367.60	7.11	-42.94
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007899762	0	38	-1.0	-49.08	331.16	6.15	-42.93
COC1=CC(F)=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(F)=C1	REAL300007899763	0	38	-1.0	-52.38	325.53	4.81	-47.57
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007899764	0	38	-1.0	-47.66	330.27	4.80	-42.86
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2C=CC=CC2=NN1C	REAL300007899765	0	40	-1.0	-48.85	326.21	5.06	-43.79
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C2C(=C1)C=CN2C	REAL300007899766	0	41	-1.0	-55.83	341.57	7.01	-48.82
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007899767	0	43	-1.0	-50.49	366.72	5.74	-44.75
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899768	0	47	-1.0	-54.24	378.89	7.66	-46.58
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007899769	0	45	-1.0	-55.18	377.24	8.14	-47.04
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007899770	0	40	-1.0	-59.98	324.61	6.99	-52.99
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007899771	0	35	-1.0	-54.47	325.39	4.19	-50.28
C=C(C)COC1=CC=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899772	0	45	-1.0	-55.52	371.16	6.87	-48.65
CCN1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C2CC2)=N1	REAL300007899773	0	44	-1.0	-49.98	352.43	5.66	-44.32
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=NSN=C2C=C1	REAL300007899774	0	38	-1.0	-60.43	320.25	4.31	-56.12
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007899775	0	40	-1.0	-48.16	347.37	7.94	-40.22
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007899776	0	44	-1.0	-50.36	378.78	9.18	-41.18
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007899777	0	33	-1.0	-46.90	315.19	3.24	-43.66
CCC1=CC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=CC=C1Br	REAL300007899778	0	40	-1.0	-48.39	346.86	7.13	-41.26
CC1=NN(C2CCCC2)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899779	0	47	-1.0	-48.29	372.89	6.38	-41.91
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(Cl)=CS1	REAL300007899780	0	31	-1.0	-47.27	294.06	4.70	-42.57
COCCC1=CC=C(OC)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899781	0	48	-1.0	-53.02	386.34	5.61	-47.41
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007899782	0	40	-1.0	-49.46	334.47	7.61	-41.85
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007899783	0	42	-1.0	-50.33	335.80	2.95	-47.38
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007899784	0	41	-1.0	-52.82	330.35	7.38	-45.44
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC(C)(C)CC1	REAL300007899785	0	45	-1.0	-49.23	338.11	5.20	-44.03
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007899786	0	49	-1.0	-50.36	386.49	5.54	-44.82
COC1=NC=C(Cl)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899787	0	37	-1.0	-47.79	324.35	3.00	-44.79
COC1=NC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1C	REAL300007899788	0	40	-1.0	-49.53	332.13	2.54	-46.99
CC(C)CN1C=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=N1	REAL300007899789	0	43	-1.0	-53.92	355.27	5.34	-48.58
CC1=NN(C(C)C)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899790	0	43	-1.0	-51.01	342.83	4.69	-46.32
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007899791	0	44	-1.0	-50.14	348.73	2.97	-47.17
COCC1=CC(CS(=O)(=O)N(CCC(=O)[O-])C(C)C)=NO1	REAL300007899792	0	40	-1.0	-55.64	338.99	3.08	-52.56
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007899793	0	39	-1.0	-49.60	332.46	6.99	-42.61
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007899794	0	45	-1.0	-50.23	360.23	5.65	-44.58
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C(C)C	REAL300007899795	0	40	-1.0	-49.14	330.77	4.46	-44.68
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007899796	0	41	-1.0	-48.91	332.93	5.28	-43.63
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007899797	0	41	-1.0	-49.84	342.84	6.51	-43.33
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007899798	0	36	-1.0	-50.25	316.02	4.19	-46.06
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007899799	0	39	-1.0	-60.15	322.95	5.62	-54.53
CC1=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=NN1C(C)C	REAL300007899800	0	43	-1.0	-55.41	342.06	4.77	-50.64
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C=C1	REAL300007899801	0	48	-1.0	-49.99	396.77	8.79	-41.20
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007899802	0	39	-1.0	-58.59	321.33	5.61	-52.98
CC1=CN=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C)=C1	REAL300007899803	0	39	-1.0	-47.83	311.34	4.53	-43.30
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CC=C(Br)CC1	REAL300007899804	0	37	-1.0	-46.43	315.71	4.81	-41.62
CC(C)N(CCC(=O)[O-])S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007899805	0	42	-1.0	-60.12	346.63	1.06	-59.06
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CC2CCC(C1)O2	REAL300007899806	0	41	-1.0	-49.49	319.54	3.36	-46.13
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC(C#N)CC1	REAL300007899807	0	40	-1.0	-53.87	326.11	4.73	-49.14
COC1=CC=NC(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899808	0	37	-1.0	-53.73	313.43	2.66	-51.07
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C(C(F)F)=C1	REAL300007899809	0	41	-1.0	-56.69	337.09	5.75	-50.94
COC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)N=C1	REAL300007899810	0	37	-1.0	-50.74	313.25	2.62	-48.12
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899811	0	40	-1.0	-48.14	346.75	3.49	-44.65
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007899812	0	39	-1.0	-50.34	314.31	5.21	-45.13
CCOC1=CC=CN=C1S(=O)(=O)N(CCC(=O)[O-])C(C)C	REAL300007899813	0	40	-1.0	-57.48	331.00	4.65	-52.83
CC1=CC=C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)C2=NC=CC=C12	REAL300007899814	0	42	-1.0	-58.06	339.27	6.88	-51.18
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC=CC=C12	REAL300007899815	0	38	-1.0	-52.91	316.72	5.03	-47.88
CC(C)N(CCC(=O)[O-])S(=O)(=O)N1CCC(F)(F)C1	REAL300007899816	0	36	-1.0	-48.52	304.79	3.72	-44.80
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007899817	0	36	-1.0	-58.05	318.05	4.29	-53.76
CC(C)N(CCC(=O)[O-])S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007899818	0	41	-1.0	-50.82	355.85	6.03	-44.79
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(CCC(=O)[O-])C(C)C)=C1	REAL300007899819	0	47	-1.0	-52.01	367.97	7.27	-44.74
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007899820	0	41	-1.0	-50.94	354.70	5.03	-45.91
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007899821	0	41	-1.0	-54.67	353.71	4.92	-49.75
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007899822	0	44	-1.0	-58.55	367.92	5.85	-52.70
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCOC2=C(OC)C=CC=C21	REAL300007899823	0	45	-1.0	-56.14	369.40	4.80	-51.34
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007899824	0	44	-1.0	-54.54	368.24	5.43	-49.11
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007899825	0	38	-1.0	-49.55	336.46	4.83	-44.72
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007899826	0	41	-1.0	-54.67	353.71	4.92	-49.75
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007899827	0	41	-1.0	-50.94	354.70	5.03	-45.91
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007899828	0	41	-1.0	-52.74	342.61	5.92	-46.82
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007899829	0	39	-1.0	-53.00	342.84	2.67	-50.33
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007899830	0	41	-1.0	-53.96	358.98	3.09	-50.87
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007899831	0	38	-1.0	-49.73	345.57	4.04	-45.69
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007899832	0	38	-1.0	-51.17	322.19	1.60	-49.57
COC1=CC=CC2=C1OCCC2NS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007899833	0	46	-1.0	-50.79	366.23	4.01	-46.78
COC1=CC=CC2=C1OCCC2NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007899834	0	46	-1.0	-48.38	367.16	4.08	-44.30
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007899835	0	41	-1.0	-52.74	342.61	5.92	-46.82
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007899836	0	41	-1.0	-46.49	359.35	6.43	-40.06
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007899837	0	38	-1.0	-51.31	339.20	3.34	-47.97
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300007899838	0	41	-1.0	-51.17	357.44	3.81	-47.36
COC1=CC=CC2=C1OCCC2NS(=O)(=O)CCCC(=O)[O-]	REAL300007899839	0	40	-1.0	-55.29	340.83	3.65	-51.64
COC1=CC=CC2=C1OCCC2NS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007899840	0	43	-1.0	-62.26	355.01	3.82	-58.44
COC1=CC=CC2=C1OCCC2NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007899841	0	44	-1.0	-60.66	376.93	5.69	-54.97
COC1=CC=CC2=C1OCCC2NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007899842	0	46	-1.0	-48.38	367.16	4.08	-44.30
COC1=CC=CC2=C1OCCC2NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007899843	0	44	-1.0	-62.95	378.59	5.73	-57.22
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007899844	0	38	-1.0	-51.31	339.20	3.34	-47.97
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007899845	0	45	-1.0	-51.18	384.75	5.21	-45.97
COC1=CC=CC2=C1OCCC2NS(=O)(=O)CCCC(=O)[O-]	REAL300007899846	0	40	-1.0	-55.29	340.83	3.65	-51.64
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007899847	0	38	-1.0	-51.12	347.57	3.98	-47.14
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300007899848	0	47	-1.0	-58.60	386.30	6.44	-52.16
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300007899849	0	44	-1.0	-56.94	371.93	6.06	-50.88
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007899850	0	38	-1.0	-53.61	346.40	4.05	-49.56
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300007899851	0	44	-1.0	-50.85	363.46	5.70	-45.15
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007899852	0	44	-1.0	-51.32	376.89	5.79	-45.53
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007899853	0	38	-1.0	-51.17	339.76	3.12	-48.05
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007899854	0	44	-1.0	-53.94	376.89	5.78	-48.16
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300007899855	0	41	-1.0	-54.95	357.48	4.15	-50.80
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007899856	0	40	-1.0	-48.71	349.92	3.22	-45.49
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007899857	0	37	-1.0	-53.37	332.25	3.27	-50.10
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007899858	0	37	-1.0	-63.92	329.38	2.44	-61.48
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007899859	0	40	-1.0	-56.00	339.79	4.11	-51.89
COC1=CC=CC2=C1OCCC2NS(=O)(=O)CCCCCC(=O)[O-]	REAL300007899860	0	46	-1.0	-57.04	383.82	5.20	-51.84
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007899861	0	40	-1.0	-53.47	349.61	3.12	-50.35
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007899862	0	41	-1.0	-49.81	371.45	5.53	-44.28
COC1=CC=C(S(=O)(=O)NC2CCOC3=C(OC)C=CC=C32)C=C1C(=O)[O-]	REAL300007899863	0	45	-1.0	-61.10	380.98	5.00	-56.10
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300007899864	0	44	-1.0	-50.54	369.88	5.48	-45.06
COC1=CC=CC2=C1OCCC2NS(=O)(=O)N(C)CCC(=O)[O-]	REAL300007899865	0	42	-1.0	-51.63	354.12	3.23	-48.40
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007899866	0	41	-1.0	-49.81	371.45	5.53	-44.28
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300007899867	0	41	-1.0	-52.83	353.99	5.54	-47.29
COC1=CC=CC2=C1OCCC2NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007899868	0	44	-1.0	-60.66	376.93	5.69	-54.97
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCOC2=C(OC)C=CC=C21	REAL300007899869	0	45	-1.0	-56.14	369.40	4.80	-51.34
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007899870	0	44	-1.0	-54.54	368.24	5.43	-49.11
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007899871	0	44	-1.0	-58.55	367.92	5.85	-52.70
COC1=CC=CC2=C1OCCC2NS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007899872	0	44	-1.0	-51.28	364.89	4.90	-46.38
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007899873	0	44	-1.0	-53.94	376.89	5.78	-48.16
COC1=C(S(=O)(=O)NC2CCOC3=C(OC)C=CC=C32)SC(C(=O)[O-])=C1	REAL300007899874	0	42	-1.0	-48.73	375.40	4.10	-44.63
CCC1=C(S(=O)(=O)NC2CCOC3=C(OC)C=CC=C32)C=C(C(=O)[O-])O1	REAL300007899875	0	44	-1.0	-54.43	370.25	4.77	-49.66
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300007899876	0	43	-1.0	-48.74	363.91	3.54	-45.20
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1CCOC2=C(OC)C=CC=C21	REAL300007899877	0	45	-1.0	-50.51	369.23	4.81	-45.70
COC1=CC(S(=O)(=O)NC2CCOC3=C(OC)C=CC=C32)=CC=C1C(=O)[O-]	REAL300007899878	0	45	-1.0	-56.34	380.97	5.01	-51.33
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007899879	0	44	-1.0	-53.27	382.35	5.84	-47.43
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007899880	0	41	-1.0	-50.63	341.03	3.12	-47.51
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300007899881	0	41	-1.0	-52.94	357.17	3.94	-49.00
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007899882	0	41	-1.0	-53.49	367.23	5.41	-48.08
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007899883	0	38	-1.0	-54.39	332.47	3.80	-50.59
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007899884	0	41	-1.0	-45.96	335.84	4.15	-41.81
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC2CCOC3=C(OC)C=CC=C32)=C1	REAL300007899885	0	45	-1.0	-52.14	371.11	5.13	-47.01
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007899886	0	38	-1.0	-51.17	322.19	1.60	-49.57
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007899887	0	41	-1.0	-50.63	341.03	3.12	-47.51
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007899888	0	40	-1.0	-50.24	350.97	3.14	-47.10
COC1=CC=CC2=C1OCCC2NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007899889	0	44	-1.0	-58.12	364.72	6.13	-51.99
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007899890	0	38	-1.0	-47.79	354.10	3.63	-44.16
COC1=CC=C(S(=O)(=O)NC2CCOC3=C(OC)C=CC=C32)C(C(=O)[O-])=C1	REAL300007899891	0	45	-1.0	-53.35	371.86	5.22	-48.13
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007899892	0	40	-1.0	-57.37	350.81	3.24	-54.13
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007899893	0	38	-1.0	-45.85	337.10	1.16	-44.69
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007899894	0	41	-1.0	-54.92	352.15	2.60	-52.32
COC1=CC=CC2=C1OCCC2NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007899895	0	41	-1.0	-55.00	342.35	4.04	-50.96
COC1=CC=CC2=C1OCCC2NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007899896	0	44	-1.0	-58.06	361.40	4.71	-53.35
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300007899897	0	41	-1.0	-51.65	364.81	4.70	-46.95
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007899898	0	44	-1.0	-47.99	360.57	5.80	-42.19
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007899899	0	41	-1.0	-56.42	349.36	4.26	-52.16
COC1=CC=CC2=C1OCCC2NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007899900	0	46	-1.0	-50.07	360.20	4.98	-45.09
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007899901	0	38	-1.0	-45.85	337.10	1.16	-44.69
COC1=CC=CC2=C1OCCC2NS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007899902	0	43	-1.0	-48.80	350.55	3.58	-45.22
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007899903	0	38	-1.0	-51.17	322.19	1.60	-49.57
COC1=CC=CC2=C1OCCC2NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007899904	0	41	-1.0	-62.77	336.74	4.91	-57.86
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300007899905	0	43	-1.0	-53.37	364.92	3.63	-49.74
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007899906	0	44	-1.0	-47.99	360.57	5.80	-42.19
COC1=CC=CC2=C1OCCC2NS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007899907	0	40	-1.0	-46.85	337.77	4.13	-42.72
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300007899908	0	33	-1.0	-52.40	306.40	2.56	-49.84
CC1=NOC(CN(C)S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300007899909	0	33	-1.0	-56.26	305.83	2.59	-53.67
CC1=NOC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300007899910	0	36	-1.0	-60.50	313.05	3.08	-57.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=NC(C)=NO1	REAL300007899911	0	37	-1.0	-60.28	328.09	2.48	-57.80
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300007899912	0	36	-1.0	-55.92	323.27	3.13	-52.79
CC1=NOC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])SC=C2)=N1	REAL300007899913	0	30	-1.0	-60.08	290.75	2.31	-57.77
CC1=NOC(CN(C)S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300007899914	0	33	-1.0	-56.26	305.83	2.59	-53.67
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300007899915	0	33	-1.0	-52.40	306.40	2.56	-49.84
CC1=NOC(CN(C)S(=O)(=O)C2=CC=CC=C2C(=O)[O-])=N1	REAL300007899916	0	33	-1.0	-64.00	296.00	3.69	-60.31
CC1=NOC(CN(C)S(=O)(=O)C2=CNC(C(=O)[O-])=C2)=N1	REAL300007899917	0	31	-1.0	-54.81	294.95	0.29	-54.52
CC1=NOC(CN(C)S(=O)(=O)C2=CN(CC(=O)[O-])N=C2)=N1	REAL300007899918	0	33	-1.0	-55.65	310.98	0.68	-54.97
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])S2)=N1	REAL300007899919	0	30	-1.0	-52.40	294.67	2.21	-50.19
CC1=NOC(CN(C)S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007899920	0	30	-1.0	-53.59	278.85	-0.54	-54.13
CC1=NOC(CN(C)S(=O)(=O)N2CCCC(C(=O)[O-])C2)=N1	REAL300007899921	0	38	-1.0	-52.12	324.19	1.68	-50.44
CC1=NOC(CN(C)S(=O)(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300007899922	0	38	-1.0	-56.88	323.42	1.70	-55.18
CC1=NOC(CN(C)S(=O)(=O)C2=CC=CC=C2C(=O)[O-])=N1	REAL300007899923	0	33	-1.0	-64.00	296.00	3.69	-60.31
CC1=NOC(CN(C)S(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])=N1	REAL300007899924	0	33	-1.0	-57.46	312.84	4.18	-53.28
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=N1	REAL300007899925	0	30	-1.0	-54.68	290.64	0.98	-53.70
CC1=NOC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)=N1	REAL300007899926	0	33	-1.0	-54.90	308.84	1.45	-53.45
CC1=NOC(CN(C)S(=O)(=O)N2CCCC2C(=O)[O-])=N1	REAL300007899927	0	35	-1.0	-62.55	306.19	1.69	-60.86
CC1=NOC(CN(C)S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300007899928	0	36	-1.0	-56.63	327.88	3.61	-53.02
CC1=NOC(CN(C)S(=O)(=O)N2CCC(C(=O)[O-])CC2)=N1	REAL300007899929	0	38	-1.0	-56.88	323.42	1.70	-55.18
CC1=NOC(CN(C)S(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300007899930	0	36	-1.0	-65.73	330.27	3.30	-62.43
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=N1	REAL300007899931	0	30	-1.0	-54.68	290.64	0.98	-53.70
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)=N1	REAL300007899932	0	37	-1.0	-52.73	337.50	2.84	-49.89
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N(C)CC1=NC(C)=NO1	REAL300007899933	0	37	-1.0	-50.26	339.63	3.58	-46.68
CC1=NOC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CS2)=N1	REAL300007899934	0	30	-1.0	-54.01	295.65	2.11	-51.90
CC1=NOC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)=N1	REAL300007899935	0	39	-1.0	-62.06	330.13	3.59	-58.47
CC1=NOC(CN(C)S(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])=N1	REAL300007899936	0	36	-1.0	-54.89	315.09	3.60	-51.29
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC2=NC(C)=NO2)=C1	REAL300007899937	0	40	-1.0	-61.13	358.28	2.20	-58.93
CC1=NOC(CN(C)S(=O)(=O)C2=CSC(C(=O)[O-])=C2)=N1	REAL300007899938	0	30	-1.0	-54.86	298.08	1.60	-53.26
CC1=NOC(CN(C)S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])=N1	REAL300007899939	0	36	-1.0	-55.74	335.31	4.64	-51.10
CC1=NOC(CN(C)S(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)=N1	REAL300007899940	0	36	-1.0	-50.06	309.25	2.88	-47.18
CC1=NOC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)=N1	REAL300007899941	0	36	-1.0	-55.12	320.18	5.56	-49.56
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)=N1	REAL300007899942	0	36	-1.0	-53.16	328.59	3.34	-49.82
CC1=NOC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C2)=N1	REAL300007899943	0	38	-1.0	-46.53	341.23	4.03	-42.50
CC1=NOC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CO2)=N1	REAL300007899944	0	30	-1.0	-54.12	290.82	0.73	-53.39
CC1=NOC(CN(C)S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300007899945	0	36	-1.0	-55.99	327.99	3.37	-52.62
CC1=NOC(CN(C)S(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300007899946	0	33	-1.0	-59.95	302.05	1.53	-58.42
CC1=NOC(CN(C)S(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)=N1	REAL300007899947	0	32	-1.0	-50.09	300.99	0.80	-49.29
CC1=NOC(CN(C)S(=O)(=O)C2=CSN=C2C(=O)[O-])=N1	REAL300007899948	0	29	-1.0	-71.19	287.15	0.76	-70.43
CC1=NOC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])N=CS2)=N1	REAL300007899949	0	29	-1.0	-56.56	277.90	0.51	-56.05
CC1=NOC(CN(C)S(=O)(=O)C2=CC=CN=C2C(=O)[O-])=N1	REAL300007899950	0	32	-1.0	-75.46	295.89	1.93	-73.53
CC1=NOC(CN(C)S(=O)(=O)CCCCCC(=O)[O-])=N1	REAL300007899951	0	38	-1.0	-59.46	335.50	2.77	-56.69
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)=N1	REAL300007899952	0	32	-1.0	-55.20	298.83	1.16	-54.04
CC1=NOC(CN(C)S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=N1	REAL300007899953	0	33	-1.0	-54.60	319.94	2.99	-51.61
CC1=NOC(CN(C)S(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)=N1	REAL300007899954	0	33	-1.0	-54.61	324.51	3.10	-51.51
COC1=CC=C(S(=O)(=O)N(C)CC2=NC(C)=NO2)C=C1C(=O)[O-]	REAL300007899955	0	37	-1.0	-60.65	333.71	2.62	-58.03
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)=N1	REAL300007899956	0	36	-1.0	-51.69	322.43	3.10	-48.59
CC1=NOC(CN(C)S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)=N1	REAL300007899957	0	38	-1.0	-62.38	339.61	3.21	-59.17
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N(C)CC2=NC(C)=NO2)=C1	REAL300007899958	0	40	-1.0	-61.13	358.28	2.20	-58.93
CC1=NOC(CN(C)S(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)=N1	REAL300007899959	0	33	-1.0	-54.60	319.94	2.99	-51.61
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N(C)CC1=NC(C)=NO1	REAL300007899960	0	33	-1.0	-52.68	296.53	2.66	-50.02
CC1=NOC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(Cl)=C2C)=N1	REAL300007899961	0	36	-1.0	-55.80	326.93	3.49	-52.31
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C3OC(C(=O)[O-])=C(C)C3=C2)=N1	REAL300007899962	0	39	-1.0	-55.59	353.37	3.90	-51.69
CC1=NOC(CN(C)S(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300007899963	0	36	-1.0	-56.63	327.88	3.61	-53.02
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=NC(C)=NO1	REAL300007899964	0	37	-1.0	-60.28	328.09	2.48	-57.80
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=N1	REAL300007899965	0	36	-1.0	-55.92	323.27	3.13	-52.79
CC1=NOC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)=N1	REAL300007899966	0	36	-1.0	-60.50	313.05	3.08	-57.42
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=NC(C)=NO1	REAL300007899967	0	37	-1.0	-50.71	335.10	2.70	-48.01
CC1=NOC(CN(C)S(=O)(=O)CC2(CC(=O)[O-])CC2)=N1	REAL300007899968	0	36	-1.0	-50.70	315.21	2.66	-48.04
CC1=NOC(CN(C)S(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)=N1	REAL300007899969	0	36	-1.0	-55.99	327.99	3.37	-52.62
COC1=C(S(=O)(=O)N(C)CC2=NC(C)=NO2)SC(C(=O)[O-])=C1	REAL300007899970	0	34	-1.0	-50.28	328.93	1.10	-49.18
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)=N1	REAL300007899971	0	38	-1.0	-53.23	343.24	3.23	-50.00
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)=N1	REAL300007899972	0	36	-1.0	-51.42	336.54	3.37	-48.05
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)=N1	REAL300007899973	0	40	-1.0	-57.59	352.55	4.44	-53.15
CCC1=C(S(=O)(=O)N(C)CC2=NC(C)=NO2)C=C(C(=O)[O-])O1	REAL300007899974	0	36	-1.0	-56.59	319.98	2.06	-54.53
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])=N1	REAL300007899975	0	35	-1.0	-55.81	324.80	4.29	-51.52
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)=N1	REAL300007899976	0	36	-1.0	-55.83	344.29	4.05	-51.78
CC1=NOC(CN(C)S(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])=N1	REAL300007899977	0	35	-1.0	-50.50	325.03	4.31	-46.19
CC1=NOC(CN(C)S(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)=N1	REAL300007899978	0	35	-1.0	-50.28	314.46	1.70	-48.58
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N(C)CC1=NC(C)=NO1	REAL300007899979	0	37	-1.0	-51.95	331.32	2.47	-49.48
COC1=CC(S(=O)(=O)N(C)CC2=NC(C)=NO2)=CC=C1C(=O)[O-]	REAL300007899980	0	37	-1.0	-57.59	333.69	2.63	-54.96
COC1=CC=C(S(=O)(=O)N(C)CC2=NC(C)=NO2)C(CC(=O)[O-])=C1	REAL300007899981	0	40	-1.0	-63.40	348.41	3.05	-60.35
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)=N1	REAL300007899982	0	36	-1.0	-55.21	334.05	3.38	-51.83
CC1=NOC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=N1	REAL300007899983	0	36	-1.0	-53.43	342.27	3.49	-49.94
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C(C)(C)C(=O)[O-])C=C2)=N1	REAL300007899984	0	42	-1.0	-54.98	361.33	4.23	-50.75
CC1=NOC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=N1	REAL300007899985	0	33	-1.0	-51.95	293.08	0.74	-51.21
CC1=NOC(CN(C)S(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)=N1	REAL300007899986	0	39	-1.0	-59.38	343.28	4.99	-54.39
CC1=NOC(CN(C)S(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)=N1	REAL300007899987	0	33	-1.0	-55.52	308.61	1.57	-53.95
CC1=NOC(CN(C)S(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])=N1	REAL300007899988	0	33	-1.0	-57.39	317.52	4.27	-53.12
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300007899989	0	33	-1.0	-53.19	318.93	2.95	-50.24
CC1=NOC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])C=CO2)=N1	REAL300007899990	0	30	-1.0	-54.94	279.89	1.28	-53.66
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N(C)CC2=NC(C)=NO2)=C1	REAL300007899991	0	37	-1.0	-62.72	325.53	2.98	-59.74
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N(C)CC2=NC(C)=NO2)=C1OC	REAL300007899992	0	45	-1.0	-53.89	389.53	3.76	-50.13
CC1=NOC(CN(C)S(=O)(=O)C2=NNC=C2C(=O)[O-])=N1	REAL300007899993	0	30	-1.0	-53.59	278.85	-0.54	-54.13
CC1=NOC(CN(C)S(=O)(=O)C2=C(C(=O)[O-])C=NN2C)=N1	REAL300007899994	0	33	-1.0	-51.95	293.08	0.74	-51.21
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CC1=NC(C)=NO1	REAL300007899996	0	40	-1.0	-54.63	352.77	2.68	-51.95
CC1=NOC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)=N1	REAL300007899997	0	32	-1.0	-51.40	299.13	1.14	-50.26
CC1=NOC(CN(C)S(=O)(=O)CC2=CC=CC=C2C(=O)[O-])=N1	REAL300007899998	0	36	-1.0	-59.63	319.55	3.75	-55.88
CC1=NOC(CN(C)S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)=N1	REAL300007899999	0	30	-1.0	-51.81	305.54	1.26	-50.55
CC1=NOC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300007900000	0	39	-1.0	-56.03	342.96	5.02	-51.01
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907232	0	34	-1.0	-58.96	303.72	2.42	-56.54
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907233	0	41	-1.0	-47.48	356.21	2.95	-44.53
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C	REAL300007907234	0	41	-1.0	-54.13	358.37	-0.40	-54.53
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007907235	0	48	-1.0	-47.75	348.85	4.10	-43.65
CC1=NC2=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=CC=C2C=C1	REAL300007907236	0	38	-1.0	-56.63	326.97	3.93	-52.70
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007907237	0	38	-1.0	-59.55	334.06	4.32	-55.23
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007907238	0	41	-1.0	-51.74	346.17	1.06	-50.68
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907239	0	44	-1.0	-48.79	387.53	4.06	-44.73
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907240	0	44	-1.0	-49.46	377.37	3.91	-45.55
CCCN1C=NC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907241	0	36	-1.0	-57.72	316.51	3.27	-54.45
COCCOCCOCCS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907242	0	44	-1.0	-52.84	376.73	-0.19	-53.03
CC(COC1CCCC1)CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907243	0	46	-1.0	-48.41	366.89	4.01	-44.40
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907244	0	37	-1.0	-47.87	336.66	2.79	-45.08
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007907245	0	38	-1.0	-47.66	327.14	0.27	-47.39
COC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907246	0	34	-1.0	-47.58	320.21	2.37	-45.21
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007907247	0	34	-1.0	-43.04	308.24	3.02	-40.02
COC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007907248	0	36	-1.0	-47.88	324.08	3.24	-44.64
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907249	0	36	-1.0	-42.32	319.61	4.10	-38.22
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907250	0	36	-1.0	-48.17	313.52	3.68	-44.49
CC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300007907251	0	36	-1.0	-46.78	320.94	4.14	-42.64
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907252	0	39	-1.0	-50.46	315.08	4.20	-46.26
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCCN1CCOCC1	REAL300007907253	0	42	-1.0	-47.11	340.77	-0.66	-47.77
CCOC1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907254	0	37	-1.0	-48.38	319.74	2.72	-45.66
COCCN1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300007907255	0	37	-1.0	-51.64	328.93	0.12	-51.52
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007907256	0	37	-1.0	-54.37	333.77	2.99	-51.38
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007907257	0	38	-1.0	-50.05	341.47	4.66	-45.39
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007907258	0	35	-1.0	-54.65	309.70	2.87	-51.78
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007907259	0	33	-1.0	-48.18	314.39	3.76	-44.42
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1Br	REAL300007907260	0	33	-1.0	-47.85	309.74	3.70	-44.15
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007907261	0	37	-1.0	-68.98	332.90	0.36	-68.62
CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907262	0	33	-1.0	-48.75	312.13	3.73	-45.02
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907263	0	33	-1.0	-46.74	293.94	3.88	-42.86
COCC1=CC=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907264	0	37	-1.0	-47.37	309.55	2.47	-44.90
COC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC=C1Br	REAL300007907265	0	34	-1.0	-47.57	318.47	2.47	-45.10
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1Cl	REAL300007907266	0	38	-1.0	-46.29	344.22	2.19	-44.10
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007907267	0	33	-1.0	-56.27	313.19	1.58	-54.69
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007907268	0	33	-1.0	-54.66	306.93	1.41	-53.25
CC1(C)CC2=CC(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=CC=C2O1	REAL300007907269	0	41	-1.0	-50.23	345.88	3.72	-46.51
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007907270	0	33	-1.0	-59.87	307.36	1.78	-58.09
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907271	0	41	-1.0	-55.41	347.52	1.18	-54.23
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907272	0	42	-1.0	-56.48	373.09	1.66	-54.82
CSC1=CC=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907273	0	34	-1.0	-48.25	300.25	3.45	-44.80
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1F	REAL300007907274	0	38	-1.0	-49.63	347.34	-0.73	-50.36
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907275	0	44	-1.0	-49.21	387.53	0.29	-48.92
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907276	0	41	-1.0	-61.56	345.59	1.84	-59.72
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1F	REAL300007907277	0	41	-1.0	-48.75	368.80	0.16	-48.59
CCC1=CC=C(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907278	0	39	-1.0	-50.24	332.92	4.80	-45.44
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCC1=CC=CS1	REAL300007907279	0	33	-1.0	-46.40	304.79	3.02	-43.38
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007907280	0	45	-1.0	-46.74	382.30	2.94	-43.80
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007907281	0	42	-1.0	-51.98	353.50	1.57	-50.41
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907282	0	39	-1.0	-62.26	350.72	0.91	-61.35
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907283	0	40	-1.0	-68.63	358.02	-0.13	-68.76
CC1=CC=C(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C	REAL300007907284	0	39	-1.0	-48.94	331.44	4.33	-44.61
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1Br	REAL300007907285	0	37	-1.0	-50.64	340.31	3.39	-47.25
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007907286	0	44	-1.0	-54.36	376.58	5.55	-48.81
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007907287	0	34	-1.0	-43.15	318.54	3.47	-39.68
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907288	0	37	-1.0	-50.02	339.34	2.99	-47.03
CC1(C)CN(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CCO1	REAL300007907289	0	39	-1.0	-46.72	315.41	0.64	-46.08
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C2S1	REAL300007907290	0	44	-1.0	-50.75	381.42	4.43	-46.32
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907291	0	37	-1.0	-45.71	333.75	3.95	-41.76
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=CC=C21	REAL300007907292	0	42	-1.0	-50.52	360.18	3.98	-46.54
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907293	0	37	-1.0	-55.52	332.10	-2.76	-58.28
CC1=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007907294	0	36	-1.0	-47.24	321.38	3.95	-43.29
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007907295	0	33	-1.0	-47.47	322.74	4.60	-42.87
CC1=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007907296	0	36	-1.0	-44.63	336.70	5.42	-39.21
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007907297	0	33	-1.0	-48.91	318.14	4.26	-44.65
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007907298	0	36	-1.0	-52.11	322.07	5.19	-46.92
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007907299	0	36	-1.0	-48.62	330.42	4.23	-44.39
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007907300	0	41	-1.0	-49.69	350.45	3.78	-45.91
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007907301	0	44	-1.0	-45.30	380.37	6.29	-39.01
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907302	0	43	-1.0	-55.43	376.84	4.01	-51.42
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007907303	0	41	-1.0	-53.81	367.97	-0.45	-54.26
CC1=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007907304	0	39	-1.0	-52.36	334.75	5.34	-47.02
CC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1N(C)C	REAL300007907305	0	41	-1.0	-47.80	343.05	3.15	-44.65
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007907306	0	36	-1.0	-46.69	330.66	4.37	-42.32
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007907307	0	35	-1.0	-54.04	300.57	-0.50	-54.54
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCOCC1CCCC1	REAL300007907308	0	43	-1.0	-47.36	353.85	2.88	-44.48
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1Cl	REAL300007907309	0	37	-1.0	-42.40	323.99	3.12	-39.28
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907310	0	39	-1.0	-54.16	353.76	0.66	-53.50
CSC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1Cl	REAL300007907311	0	34	-1.0	-50.69	323.75	3.97	-46.72
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907312	0	42	-1.0	-53.20	345.87	3.00	-50.20
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007907313	0	38	-1.0	-47.36	339.62	1.04	-46.32
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C12	REAL300007907314	0	37	-1.0	-46.91	329.52	0.19	-46.72
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007907315	0	41	-1.0	-48.97	364.86	2.30	-46.67
CN1N=CC2=CC(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=CN=C21	REAL300007907316	0	35	-1.0	-52.22	312.74	1.61	-50.61
CCC1=CC(CC)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(CC)=C1	REAL300007907317	0	48	-1.0	-47.01	366.21	6.98	-40.03
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007907318	0	37	-1.0	-52.91	316.31	2.52	-50.39
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007907319	0	36	-1.0	-46.09	336.88	0.57	-45.52
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007907320	0	39	-1.0	-47.81	331.10	6.17	-41.64
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C)=C1F	REAL300007907321	0	37	-1.0	-44.80	309.21	2.01	-42.79
CC1(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CCCCC1	REAL300007907322	0	42	-1.0	-48.75	316.15	4.13	-44.62
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007907323	0	39	-1.0	-50.67	329.40	3.89	-46.78
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007907325	0	38	-1.0	-50.55	337.94	3.75	-46.80
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907326	0	37	-1.0	-48.51	341.25	2.68	-45.83
CC1=CC=C(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(F)=C1	REAL300007907327	0	36	-1.0	-52.60	319.74	3.84	-48.76
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007907329	0	30	-1.0	-42.63	302.85	2.66	-39.97
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007907330	0	43	-1.0	-49.43	355.09	5.92	-43.51
CC(C)(C)C1=CC(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=NO1	REAL300007907331	0	41	-1.0	-47.85	350.10	3.23	-44.62
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007907332	0	39	-1.0	-58.69	327.67	-0.19	-58.88
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007907333	0	33	-1.0	-47.52	305.67	2.99	-44.53
CC1=C(CCS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])SC=N1	REAL300007907334	0	35	-1.0	-48.56	317.48	1.73	-46.83
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC12CCC(CC1)C2	REAL300007907335	0	40	-1.0	-47.41	316.96	3.87	-43.54
COC1=CC=C2C=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])CCC2=C1	REAL300007907336	0	42	-1.0	-50.57	350.04	4.13	-46.44
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC12CCC(CC1)CC2	REAL300007907337	0	43	-1.0	-47.31	325.67	4.50	-42.81
CC(C)(CCS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-])S(C)(=O)=O	REAL300007907338	0	41	-1.0	-56.29	341.24	-0.40	-56.69
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1CCCCC1(F)F	REAL300007907339	0	39	-1.0	-49.26	320.39	3.68	-45.58
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007907340	0	37	-1.0	-49.99	319.66	4.63	-45.36
CCC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007907341	0	38	-1.0	-56.21	330.96	4.34	-51.87
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007907342	0	30	-1.0	-46.04	286.15	2.97	-43.07
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007907343	0	30	-1.0	-46.01	290.72	3.07	-42.94
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007907344	0	32	-1.0	-45.92	297.64	3.12	-42.80
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007907345	0	36	-1.0	-51.88	314.12	4.77	-47.11
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007907346	0	32	-1.0	-54.72	296.78	3.17	-51.55
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907347	0	35	-1.0	-52.13	302.96	3.34	-48.79
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907348	0	34	-1.0	-49.67	298.91	1.74	-47.93
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007907349	0	32	-1.0	-60.68	284.62	3.97	-56.71
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907350	0	37	-1.0	-45.47	337.06	4.30	-41.17
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907351	0	37	-1.0	-49.48	319.74	2.72	-46.76
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1C	REAL300007907352	0	42	-1.0	-48.89	326.44	5.27	-43.62
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C)=C1	REAL300007907353	0	39	-1.0	-47.44	315.04	4.70	-42.74
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907354	0	45	-1.0	-45.14	354.27	5.57	-39.57
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007907355	0	33	-1.0	-50.06	307.29	3.50	-46.56
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007907356	0	33	-1.0	-47.71	287.60	3.25	-44.46
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007907357	0	30	-1.0	-49.12	285.13	3.01	-46.11
CC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907358	0	35	-1.0	-53.46	310.64	2.86	-50.60
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007907359	0	36	-1.0	-57.26	324.06	3.24	-54.02
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907360	0	42	-1.0	-48.91	345.63	4.77	-44.14
CC(C)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907361	0	39	-1.0	-48.86	329.65	4.38	-44.48
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907362	0	41	-1.0	-53.83	364.92	0.45	-53.38
CCCC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907363	0	39	-1.0	-48.67	333.81	4.67	-44.00
COC1=CC=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907364	0	34	-1.0	-49.16	294.04	2.77	-46.39
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1Br	REAL300007907365	0	34	-1.0	-50.84	318.46	2.47	-48.37
CC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC=C1Br	REAL300007907366	0	33	-1.0	-47.34	306.01	3.82	-43.52
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C2)=C1	REAL300007907367	0	44	-1.0	-49.99	380.01	6.07	-43.92
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007907368	0	34	-1.0	-45.04	315.40	2.24	-42.80
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C)=C1C	REAL300007907369	0	45	-1.0	-49.02	340.62	5.54	-43.48
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007907370	0	39	-1.0	-50.69	331.36	2.43	-48.26
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907371	0	46	-1.0	-60.46	373.49	4.67	-55.79
CC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007907372	0	35	-1.0	-45.06	315.43	3.80	-41.26
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907373	0	34	-1.0	-58.32	318.61	2.97	-55.35
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907374	0	48	-1.0	-47.38	369.98	6.36	-41.02
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007907375	0	33	-1.0	-45.69	308.16	3.45	-42.24
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007907376	0	40	-1.0	-49.71	331.29	4.99	-44.72
COC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907377	0	38	-1.0	-48.42	323.24	2.07	-46.35
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1OC	REAL300007907378	0	38	-1.0	-51.96	327.14	1.70	-50.26
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007907379	0	37	-1.0	-50.08	313.76	4.40	-45.68
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007907380	0	38	-1.0	-49.55	323.19	4.84	-44.71
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007907381	0	35	-1.0	-50.24	304.37	2.36	-47.88
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907382	0	45	-1.0	-48.50	372.88	5.95	-42.55
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1OCC	REAL300007907383	0	44	-1.0	-52.28	370.87	3.54	-48.74
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907384	0	35	-1.0	-54.19	323.66	-2.60	-56.79
CC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007907385	0	38	-1.0	-54.91	330.50	4.16	-50.75
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1C	REAL300007907386	0	38	-1.0	-40.78	330.27	4.58	-36.20
CC1=CC2=CC=CC(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=C2N=C1	REAL300007907387	0	38	-1.0	-65.51	330.44	3.85	-61.66
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007907388	0	36	-1.0	-60.30	311.19	3.50	-56.80
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907389	0	34	-1.0	-45.87	310.66	3.30	-42.57
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907390	0	35	-1.0	-59.27	322.64	-2.55	-61.82
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007907391	0	42	-1.0	-50.96	377.44	0.34	-50.62
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907392	0	38	-1.0	-50.15	336.83	3.85	-46.30
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007907393	0	39	-1.0	-47.17	325.99	3.73	-43.44
CC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300007907394	0	38	-1.0	-49.17	321.33	3.66	-45.51
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C	REAL300007907395	0	38	-1.0	-59.62	318.34	5.36	-54.26
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907396	0	41	-1.0	-51.41	363.98	0.49	-50.92
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007907397	0	42	-1.0	-63.85	355.13	1.85	-62.00
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907398	0	36	-1.0	-62.51	329.26	0.02	-62.49
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007907399	0	40	-1.0	-50.78	333.25	6.26	-44.52
CC1CC(C)CN(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C1	REAL300007907400	0	41	-1.0	-57.59	328.31	2.94	-54.65
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007907401	0	36	-1.0	-52.06	303.59	4.84	-47.22
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007907402	0	40	-1.0	-50.73	343.59	5.86	-44.87
CC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907403	0	33	-1.0	-41.86	284.88	3.33	-38.53
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=CC=C12	REAL300007907404	0	44	-1.0	-49.47	359.26	4.54	-44.93
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007907405	0	31	-1.0	-61.31	291.96	1.02	-60.29
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907406	0	34	-1.0	-58.49	314.05	2.87	-55.62
COC1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907407	0	34	-1.0	-49.51	296.00	1.93	-47.58
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907408	0	45	-1.0	-48.85	359.85	5.24	-43.61
CC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1Cl	REAL300007907409	0	33	-1.0	-45.92	304.02	3.61	-42.31
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907410	0	40	-1.0	-49.37	337.66	3.34	-46.03
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007907411	0	33	-1.0	-48.20	309.79	3.66	-44.54
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300007907412	0	31	-1.0	-49.88	277.89	1.37	-48.51
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007907413	0	35	-1.0	-54.81	325.70	5.00	-49.81
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007907414	0	35	-1.0	-56.15	305.28	3.36	-52.79
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007907415	0	41	-1.0	-52.49	374.46	5.94	-46.55
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907416	0	36	-1.0	-45.10	322.16	3.45	-41.65
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1F	REAL300007907417	0	34	-1.0	-52.27	304.26	1.87	-50.40
CC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1F	REAL300007907418	0	33	-1.0	-45.75	295.28	3.20	-42.55
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007907419	0	41	-1.0	-47.67	376.55	5.88	-41.79
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C2)C=C1	REAL300007907420	0	45	-1.0	-49.95	389.32	4.65	-45.30
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C(C)C)=C1	REAL300007907421	0	57	-1.0	-49.12	425.27	8.28	-40.84
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007907422	0	46	-1.0	-50.07	373.74	5.58	-44.49
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007907423	0	33	-1.0	-49.20	322.04	4.32	-44.88
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007907424	0	40	-1.0	-50.31	333.70	4.03	-46.28
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907425	0	35	-1.0	-42.74	307.49	3.95	-38.79
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907426	0	35	-1.0	-52.23	305.15	3.81	-48.42
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907427	0	38	-1.0	-40.31	324.12	4.75	-35.56
CC(C)CC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907428	0	42	-1.0	-48.62	350.57	5.13	-43.49
COCCC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907429	0	40	-1.0	-49.02	345.99	2.96	-46.06
COCCN(CCOC)S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907430	0	42	-1.0	-42.13	337.40	-0.75	-42.88
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907431	0	33	-1.0	-41.83	295.22	3.78	-38.05
COC1=C(C)C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C	REAL300007907432	0	40	-1.0	-50.00	341.86	3.37	-46.63
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907433	0	46	-1.0	-48.77	380.28	4.82	-43.95
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007907434	0	44	-1.0	-48.71	362.45	4.69	-44.02
CC(C)COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907435	0	43	-1.0	-49.09	361.32	4.21	-44.88
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907436	0	40	-1.0	-49.13	341.21	3.52	-45.61
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1Cl	REAL300007907437	0	34	-1.0	-50.94	314.07	2.35	-48.59
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007907438	0	34	-1.0	-49.60	323.82	2.62	-46.98
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C	REAL300007907439	0	37	-1.0	-50.01	317.98	2.53	-47.48
CC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300007907440	0	43	-1.0	-50.44	355.86	4.22	-46.22
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C)=C1	REAL300007907441	0	37	-1.0	-47.06	308.74	2.60	-44.46
COCCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907442	0	41	-1.0	-51.54	353.34	1.99	-49.55
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1F	REAL300007907443	0	33	-1.0	-48.91	298.34	3.17	-45.74
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907444	0	33	-1.0	-43.05	300.58	3.91	-39.14
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1C	REAL300007907445	0	38	-1.0	-59.87	315.59	5.58	-54.29
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907446	0	39	-1.0	-49.53	333.18	0.13	-49.40
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007907447	0	42	-1.0	-53.59	378.43	0.30	-53.29
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907448	0	38	-1.0	-53.80	345.00	-1.34	-55.14
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907449	0	38	-1.0	-51.79	322.08	-0.06	-51.85
CC1=NC(C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])S1	REAL300007907450	0	32	-1.0	-43.50	286.24	0.57	-42.93
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007907451	0	33	-1.0	-48.97	299.58	3.89	-45.08
COC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC=C1F	REAL300007907452	0	34	-1.0	-48.23	304.27	1.87	-46.36
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007907453	0	40	-1.0	-53.59	342.62	5.91	-47.68
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007907454	0	33	-1.0	-45.05	326.34	4.15	-40.90
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])S2)=CS1	REAL300007907455	0	36	-1.0	-50.48	349.68	3.02	-47.46
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007907456	0	50	-1.0	-49.16	402.97	6.11	-43.05
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907457	0	38	-1.0	-65.19	330.30	3.87	-61.32
CNC(=O)C1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CN1C	REAL300007907458	0	38	-1.0	-51.13	333.23	0.18	-50.95
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C)=C1	REAL300007907459	0	40	-1.0	-47.30	324.62	3.36	-43.94
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007907460	0	41	-1.0	-52.03	352.63	6.61	-45.42
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C	REAL300007907461	0	40	-1.0	-45.34	327.78	3.28	-42.06
CC1=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007907462	0	38	-1.0	-49.76	314.32	3.70	-46.06
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007907463	0	35	-1.0	-52.88	301.26	2.92	-49.96
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-])=C2	REAL300007907464	0	43	-1.0	-52.77	368.23	6.33	-46.44
CCN1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007907465	0	35	-1.0	-63.21	315.25	3.55	-59.66
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007907466	0	37	-1.0	-50.19	340.33	3.13	-47.06
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007907467	0	44	-1.0	-50.58	380.67	5.72	-44.86
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907468	0	38	-1.0	-62.17	329.58	3.90	-58.27
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007907469	0	40	-1.0	-48.45	355.28	4.08	-44.37
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007907470	0	33	-1.0	-57.89	297.39	1.72	-56.17
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907471	0	52	-1.0	-45.49	396.08	5.22	-40.27
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907472	0	38	-1.0	-52.59	342.98	-0.84	-53.43
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300007907473	0	33	-1.0	-48.83	299.47	3.22	-45.61
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007907474	0	43	-1.0	-50.14	356.09	4.99	-45.15
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907475	0	40	-1.0	-50.31	335.06	4.53	-45.78
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007907476	0	35	-1.0	-61.39	317.81	2.62	-58.77
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007907477	0	37	-1.0	-54.13	329.81	3.63	-50.50
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907478	0	44	-1.0	-51.57	375.20	2.95	-48.62
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907479	0	46	-1.0	-48.89	384.21	5.08	-43.81
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007907480	0	40	-1.0	-46.99	319.82	4.98	-42.01
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007907481	0	36	-1.0	-48.75	320.05	4.11	-44.64
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007907482	0	34	-1.0	-44.86	325.79	3.91	-40.95
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007907483	0	35	-1.0	-50.40	304.38	1.79	-48.61
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007907484	0	38	-1.0	-59.83	331.88	3.75	-56.08
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007907485	0	36	-1.0	-68.87	309.46	-1.10	-69.97
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007907486	0	35	-1.0	-54.68	316.57	2.67	-52.01
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C)=C1	REAL300007907487	0	40	-1.0	-46.54	332.18	3.33	-43.21
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907488	0	38	-1.0	-49.67	345.04	-1.34	-51.01
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007907489	0	34	-1.0	-58.02	307.08	2.62	-55.40
CSC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907490	0	34	-1.0	-49.42	309.61	3.47	-45.95
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007907491	0	36	-1.0	-48.91	332.12	4.16	-44.75
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907492	0	41	-1.0	-45.67	337.09	4.28	-41.39
CCN1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])N=C1C	REAL300007907493	0	36	-1.0	-55.30	313.72	2.45	-52.85
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007907494	0	36	-1.0	-51.02	313.56	2.16	-48.86
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007907495	0	35	-1.0	-48.78	301.08	2.83	-45.95
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007907496	0	42	-1.0	-50.60	359.79	4.41	-46.19
CC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300007907497	0	36	-1.0	-51.65	320.94	4.15	-47.50
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007907498	0	36	-1.0	-48.99	340.30	3.46	-45.53
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007907499	0	39	-1.0	-47.94	334.33	4.04	-43.90
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C12	REAL300007907500	0	38	-1.0	-52.52	334.56	2.22	-50.30
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907501	0	37	-1.0	-49.97	337.96	3.03	-46.94
COCC1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907502	0	37	-1.0	-49.17	323.62	2.22	-46.95
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=C2O1	REAL300007907503	0	41	-1.0	-53.19	339.81	3.95	-49.24
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300007907504	0	33	-1.0	-47.96	306.50	3.59	-44.37
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007907505	0	42	-1.0	-59.37	366.02	0.95	-58.42
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007907506	0	37	-1.0	-48.95	336.03	3.15	-45.80
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007907507	0	38	-1.0	-57.14	324.43	3.31	-53.83
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007907508	0	33	-1.0	-50.01	320.10	4.03	-45.98
CC1CC2=CC(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=CC=C2O1	REAL300007907509	0	38	-1.0	-49.96	325.26	3.11	-46.85
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907510	0	42	-1.0	-46.81	324.92	5.47	-41.34
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907511	0	42	-1.0	-45.37	349.97	1.31	-44.06
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007907512	0	41	-1.0	-48.63	375.33	5.93	-42.70
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007907513	0	36	-1.0	-56.74	336.08	3.14	-53.60
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007907514	0	36	-1.0	-48.78	350.62	3.91	-44.87
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C2)=CO1	REAL300007907515	0	39	-1.0	-56.38	344.59	1.56	-54.82
CN1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007907516	0	33	-1.0	-55.19	298.52	1.24	-53.95
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007907517	0	33	-1.0	-50.47	299.26	2.92	-47.55
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007907518	0	33	-1.0	-50.31	295.56	1.10	-49.21
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300007907519	0	33	-1.0	-46.97	295.45	-0.83	-47.80
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN=C2CCCN21	REAL300007907520	0	34	-1.0	-51.17	295.37	2.09	-49.08
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007907521	0	38	-1.0	-49.54	322.26	3.13	-46.41
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007907522	0	37	-1.0	-47.06	307.58	4.01	-43.05
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=N2)C=C1	REAL300007907523	0	40	-1.0	-53.83	351.18	4.31	-49.52
CC1CC2=CC(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300007907524	0	38	-1.0	-47.11	342.19	3.61	-43.50
CC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007907525	0	35	-1.0	-46.40	313.40	3.93	-42.47
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300007907526	0	41	-1.0	-58.34	356.93	3.27	-55.07
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007907527	0	32	-1.0	-51.44	300.46	1.98	-49.46
CN(C)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907528	0	38	-1.0	-50.88	320.91	2.85	-48.03
CC1=CC2=CC=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C2C=C1	REAL300007907529	0	39	-1.0	-51.52	335.60	5.41	-46.11
COC1=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])SC=C1	REAL300007907530	0	31	-1.0	-47.98	280.16	0.43	-47.55
CN(C)C1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907531	0	38	-1.0	-51.27	319.64	2.89	-48.38
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007907532	0	35	-1.0	-51.58	299.29	2.55	-49.03
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007907533	0	35	-1.0	-54.95	315.34	2.55	-52.40
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007907534	0	35	-1.0	-49.67	305.23	2.28	-47.39
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007907535	0	36	-1.0	-47.50	329.98	4.51	-42.99
CN1CCCC2=CC=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C21	REAL300007907536	0	42	-1.0	-51.73	342.65	3.05	-48.68
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007907537	0	32	-1.0	-48.67	303.79	1.81	-46.86
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907538	0	38	-1.0	-55.67	320.50	3.05	-52.62
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907539	0	38	-1.0	-51.15	327.41	4.51	-46.64
CC1=CC=C(C)C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007907540	0	38	-1.0	-48.41	326.25	5.80	-42.61
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007907541	0	38	-1.0	-40.87	328.01	4.56	-36.31
COC1=CC=C(CCS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907542	0	40	-1.0	-49.12	343.88	3.22	-45.90
COC1=CN=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907543	0	33	-1.0	-49.20	293.19	-0.03	-49.23
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])S1	REAL300007907544	0	39	-1.0	-47.28	343.21	4.12	-43.16
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007907545	0	37	-1.0	-49.01	318.64	4.55	-44.46
COC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC(OC)=C1	REAL300007907546	0	38	-1.0	-52.05	327.27	1.10	-50.95
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCC1CCCCC1	REAL300007907547	0	42	-1.0	-46.83	334.03	4.16	-42.67
CC1=CC=C(CCS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907548	0	39	-1.0	-48.59	334.66	4.66	-43.93
CC1=CC2=C(C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-])OCO2	REAL300007907549	0	36	-1.0	-44.22	301.79	2.02	-42.20
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007907550	0	33	-1.0	-60.56	295.64	2.72	-57.84
COC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC=C1Cl	REAL300007907551	0	34	-1.0	-47.70	314.08	2.35	-45.35
CN1C=NC2=CC(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=CC=C21	REAL300007907552	0	36	-1.0	-54.12	316.44	3.84	-50.28
CC1=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007907553	0	38	-1.0	-54.42	321.32	4.38	-50.04
CC1=NC2=CC=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C2O1	REAL300007907554	0	35	-1.0	-50.57	312.06	0.15	-50.42
CCC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1CC	REAL300007907555	0	42	-1.0	-50.15	345.60	5.06	-45.09
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907556	0	38	-1.0	-44.40	323.46	4.74	-39.66
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907557	0	40	-1.0	-50.88	330.10	4.27	-46.61
CC1=C(C)SC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907558	0	33	-1.0	-48.13	302.82	2.93	-45.20
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907559	0	31	-1.0	-42.25	292.67	0.37	-41.88
CCC1=NC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])S1	REAL300007907560	0	32	-1.0	-48.36	299.35	1.12	-47.24
CN(C)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300007907561	0	37	-1.0	-52.96	317.77	2.21	-50.75
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])S1	REAL300007907562	0	33	-1.0	-45.98	292.60	2.58	-43.40
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007907563	0	36	-1.0	-55.43	313.27	4.30	-51.13
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007907564	0	33	-1.0	-58.74	294.31	1.06	-57.68
CC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC(C)=C1F	REAL300007907565	0	36	-1.0	-46.89	315.32	3.83	-43.06
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007907566	0	37	-1.0	-58.36	324.55	2.25	-56.11
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007907567	0	43	-1.0	-50.45	367.11	4.19	-46.26
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007907568	0	34	-1.0	-59.94	308.35	2.55	-57.39
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007907569	0	32	-1.0	-63.01	300.23	2.01	-61.00
CC1=NC(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CS1	REAL300007907570	0	32	-1.0	-48.75	299.63	0.83	-47.92
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007907571	0	33	-1.0	-48.37	306.76	3.87	-44.50
CC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC=C1Cl	REAL300007907572	0	33	-1.0	-47.39	301.98	3.73	-43.66
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007907573	0	36	-1.0	-60.84	316.32	3.48	-57.36
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=C2)=N1	REAL300007907574	0	39	-1.0	-49.28	354.43	3.96	-45.32
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007907575	0	38	-1.0	-51.20	317.41	4.10	-47.10
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007907576	0	37	-1.0	-55.28	333.36	0.36	-54.92
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007907577	0	39	-1.0	-58.82	330.79	2.93	-55.89
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007907578	0	33	-1.0	-47.39	313.02	3.66	-43.73
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907579	0	55	-1.0	-48.96	448.71	7.42	-41.54
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907580	0	43	-1.0	-47.98	358.43	4.16	-43.82
COC(CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-])C1CCCC1	REAL300007907581	0	43	-1.0	-49.09	343.22	2.54	-46.55
COC(CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-])C1CCCCC1	REAL300007907582	0	46	-1.0	-49.24	360.97	3.46	-45.78
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007907583	0	44	-1.0	-53.28	386.02	5.85	-47.43
CCOC(CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-])C1CC1	REAL300007907584	0	40	-1.0	-49.93	333.60	2.80	-47.13
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007907585	0	49	-1.0	-48.26	399.87	5.54	-42.72
CCC1=NC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CN1CC1CC1	REAL300007907586	0	43	-1.0	-60.58	361.47	4.44	-56.14
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007907587	0	33	-1.0	-49.07	310.16	1.99	-47.08
CC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007907588	0	38	-1.0	-52.42	326.94	4.82	-47.60
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907589	0	37	-1.0	-48.10	310.39	2.42	-45.68
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007907590	0	43	-1.0	-48.70	371.59	4.80	-43.90
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907591	0	33	-1.0	-44.99	302.54	0.74	-44.25
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007907592	0	41	-1.0	-47.71	368.99	6.59	-41.12
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007907593	0	40	-1.0	-53.55	330.61	5.75	-47.80
CCC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C(C)C=C1OC	REAL300007907594	0	43	-1.0	-45.20	349.58	4.04	-41.16
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007907595	0	36	-1.0	-45.23	339.62	4.37	-40.86
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=N1	REAL300007907596	1	32	-1.0	-57.54	296.60	1.52	-56.02
CC1=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007907597	0	39	-1.0	-50.63	319.08	5.59	-45.04
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300007907598	0	39	-1.0	-46.86	337.61	1.03	-45.83
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907599	0	34	-1.0	-48.85	301.21	2.87	-45.98
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007907600	0	46	-1.0	-50.28	378.51	4.75	-45.53
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1F	REAL300007907601	0	42	-1.0	-45.65	346.78	4.75	-40.90
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007907602	0	49	-1.0	-49.85	391.88	7.16	-42.69
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907603	0	40	-1.0	-50.24	326.92	2.45	-47.79
CN1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007907604	0	42	-1.0	-48.50	334.29	2.67	-45.83
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007907605	0	40	-1.0	-49.53	337.71	2.82	-46.71
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907606	0	33	-1.0	-49.15	299.94	1.26	-47.89
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907607	0	37	-1.0	-50.46	327.64	2.57	-47.89
C=CCCC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907608	0	40	-1.0	-48.72	346.63	5.23	-43.49
CCC1=NN(C)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907609	0	36	-1.0	-50.79	307.61	1.54	-49.25
CCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007907610	0	52	-1.0	-49.72	421.50	6.33	-43.39
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007907611	0	34	-1.0	-48.66	316.29	4.37	-44.29
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300007907612	0	52	-1.0	-51.06	410.51	6.35	-44.71
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1CC	REAL300007907613	0	46	-1.0	-49.81	382.96	5.01	-44.80
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907614	0	36	-1.0	-44.91	311.85	4.59	-40.32
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907615	0	36	-1.0	-45.27	330.10	4.34	-40.93
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007907616	0	34	-1.0	-51.15	313.79	4.28	-46.87
CCCC1=CC=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907617	0	39	-1.0	-46.67	315.07	4.97	-41.70
COC1=NC=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907618	0	33	-1.0	-51.15	291.67	0.15	-51.00
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907619	0	46	-1.0	-49.25	384.14	5.33	-43.92
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007907620	0	35	-1.0	-55.57	300.84	2.79	-52.78
CC1=CSC(C)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907621	0	33	-1.0	-47.07	288.98	3.03	-44.04
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007907622	0	37	-1.0	-49.15	318.97	2.20	-46.95
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007907623	0	37	-1.0	-48.40	315.02	2.54	-45.86
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007907624	0	40	-1.0	-46.40	330.25	3.44	-42.96
CC1(C)COC2=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=NN2C1	REAL300007907625	0	41	-1.0	-53.96	337.55	0.65	-53.31
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007907626	0	36	-1.0	-50.75	334.25	3.57	-47.18
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN=C2CCCCN12	REAL300007907627	0	37	-1.0	-49.46	308.93	2.76	-46.70
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007907628	0	55	-1.0	-49.73	443.00	7.11	-42.62
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C	REAL300007907629	0	46	-1.0	-49.82	362.49	3.96	-45.86
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907630	0	40	-1.0	-45.54	340.06	4.32	-41.22
CC1CC2=CC=CC(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=C2O1	REAL300007907631	0	38	-1.0	-62.16	326.43	3.17	-58.99
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])S1	REAL300007907632	0	38	-1.0	-49.01	337.96	2.19	-46.82
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007907633	0	36	-1.0	-52.28	318.56	3.02	-49.26
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907634	0	35	-1.0	-59.91	310.94	2.10	-57.81
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007907635	0	39	-1.0	-47.86	311.31	2.39	-45.47
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007907636	0	34	-1.0	-53.58	319.57	3.14	-50.44
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007907637	0	31	-1.0	-47.41	283.16	1.26	-46.15
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007907638	0	33	-1.0	-49.77	305.94	4.10	-45.67
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907639	0	37	-1.0	-49.78	316.92	2.18	-47.60
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C)=C1F	REAL300007907640	0	39	-1.0	-49.96	320.09	4.72	-45.24
COC1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1OC	REAL300007907641	0	38	-1.0	-54.80	321.44	2.85	-51.95
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=COC2=CC=CC=C21	REAL300007907642	0	33	-1.0	-51.04	295.91	2.70	-48.34
CN1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300007907643	0	43	-1.0	-47.76	349.58	3.05	-44.71
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907644	0	42	-1.0	-49.12	345.24	3.03	-46.09
CCCCN1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C)=N1	REAL300007907645	0	42	-1.0	-50.72	354.35	3.11	-47.61
CN1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300007907646	0	37	-1.0	-51.27	321.18	2.21	-49.06
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007907647	0	34	-1.0	-49.63	308.66	2.03	-47.60
CN1N=NC2=C(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])C=CC=C21	REAL300007907648	0	35	-1.0	-64.84	310.30	0.97	-63.87
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1Br	REAL300007907649	0	36	-1.0	-42.30	320.37	4.29	-38.01
CC1(C)CCCN(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C1	REAL300007907650	0	41	-1.0	-46.20	323.66	2.80	-43.40
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007907651	0	36	-1.0	-47.38	336.63	3.56	-43.82
CN1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300007907652	0	40	-1.0	-47.47	331.70	2.41	-45.06
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907653	0	48	-1.0	-50.09	373.26	5.90	-44.19
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007907654	0	36	-1.0	-44.38	339.76	4.37	-40.01
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007907655	0	40	-1.0	-47.90	343.17	3.16	-44.74
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007907656	0	34	-1.0	-48.35	306.00	3.72	-44.63
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007907657	0	41	-1.0	-45.91	364.37	5.76	-40.15
COC1=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007907658	0	39	-1.0	-60.72	331.89	3.88	-56.84
CCCC1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907659	0	39	-1.0	-49.75	332.95	4.71	-45.04
CN1N=C2CCCC2=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907660	0	37	-1.0	-50.91	314.30	2.02	-48.89
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907661	0	39	-1.0	-48.09	310.50	1.99	-46.10
CC(C)(C)N1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300007907662	0	39	-1.0	-48.66	333.83	2.23	-46.43
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007907663	0	37	-1.0	-49.44	312.43	1.40	-48.04
CC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300007907664	0	35	-1.0	-44.19	319.47	2.30	-41.89
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007907665	0	33	-1.0	-44.16	314.89	3.52	-40.64
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907666	0	41	-1.0	-61.98	351.08	4.66	-57.32
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007907667	0	41	-1.0	-48.86	334.33	5.51	-43.35
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007907668	0	36	-1.0	-47.42	330.84	3.46	-43.96
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007907669	0	36	-1.0	-49.25	309.30	2.90	-46.35
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300007907670	0	37	-1.0	-53.00	322.32	0.78	-52.22
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007907671	0	30	-1.0	-49.64	282.43	2.63	-47.01
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007907672	0	37	-1.0	-48.54	317.61	4.59	-43.95
COC1=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=CS1	REAL300007907673	0	31	-1.0	-58.30	290.01	0.86	-57.44
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007907674	0	40	-1.0	-48.37	329.68	2.94	-45.43
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907675	0	39	-1.0	-47.08	323.20	2.46	-44.62
CN(C1CCCCCC1)S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907676	0	44	-1.0	-46.86	328.23	3.18	-43.68
CN1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300007907677	0	44	-1.0	-48.79	360.62	1.51	-47.28
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907678	0	36	-1.0	-47.50	321.78	4.03	-43.47
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007907679	0	34	-1.0	-52.52	305.76	2.21	-50.31
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007907680	0	45	-1.0	-45.30	351.85	4.67	-40.63
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])S1	REAL300007907681	0	31	-1.0	-47.01	294.05	0.92	-46.09
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007907682	0	41	-1.0	-55.66	337.88	4.96	-50.70
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007907683	0	38	-1.0	-44.52	324.70	2.53	-41.99
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN(CCF)N=C1	REAL300007907684	0	33	-1.0	-51.43	301.67	1.21	-50.22
CCOCC1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907685	0	40	-1.0	-49.04	345.35	3.18	-45.86
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907686	0	40	-1.0	-50.19	348.75	3.72	-46.47
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007907687	0	43	-1.0	-49.13	356.69	3.40	-45.73
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007907688	0	41	-1.0	-50.11	359.82	5.37	-44.74
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1CF	REAL300007907689	0	33	-1.0	-47.42	284.32	3.49	-43.93
CC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC(C)=C1Br	REAL300007907690	0	36	-1.0	-47.20	325.99	4.23	-42.97
CC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007907691	0	39	-1.0	-51.16	322.95	5.21	-45.95
CN1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007907692	0	40	-1.0	-54.25	338.82	3.75	-50.50
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007907693	0	34	-1.0	-46.62	308.76	3.73	-42.89
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007907694	0	34	-1.0	-48.58	320.85	4.47	-44.11
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007907695	0	34	-1.0	-46.46	322.72	4.33	-42.13
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007907696	0	35	-1.0	-51.47	311.20	-3.57	-55.04
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007907697	0	33	-1.0	-52.29	295.89	2.88	-49.41
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1CCC(F)(F)CC1	REAL300007907698	0	36	-1.0	-45.43	298.73	2.78	-42.65
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007907699	0	32	-1.0	-49.20	299.10	1.88	-47.32
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CCOC1CCOC1	REAL300007907700	0	38	-1.0	-49.17	322.79	-0.30	-49.47
CC1=NC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007907701	0	39	-1.0	-52.25	336.96	1.66	-50.59
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007907702	0	47	-1.0	-47.73	345.23	5.37	-42.36
CC1(C)COC(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C1	REAL300007907703	0	40	-1.0	-46.71	329.74	1.66	-45.05
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007907704	0	33	-1.0	-51.62	300.12	-1.90	-53.52
CC(C)(CS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-])C(C)(F)F	REAL300007907705	0	38	-1.0	-49.98	307.02	2.94	-47.04
CS(=O)(=O)CCCCS(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907706	0	38	-1.0	-59.98	336.82	-0.55	-60.53
CC1(C)CCC(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])OC1	REAL300007907707	0	43	-1.0	-50.23	342.41	2.84	-47.39
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007907708	0	40	-1.0	-46.92	338.65	4.79	-42.13
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007907709	0	34	-1.0	-50.28	317.28	1.46	-48.82
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007907710	0	40	-1.0	-49.21	352.42	5.32	-43.89
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007907711	0	39	-1.0	-48.19	321.81	-0.09	-48.28
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007907712	0	43	-1.0	-46.77	336.46	4.41	-42.36
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007907713	0	34	-1.0	-47.63	313.95	3.80	-43.83
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=CC=C21	REAL300007907714	0	52	-1.0	-51.33	398.10	6.67	-44.66
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907715	0	41	-1.0	-48.55	342.09	3.51	-45.04
COC1=CSC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1OC	REAL300007907716	0	35	-1.0	-53.05	319.03	1.28	-51.77
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007907717	0	42	-1.0	-46.70	328.46	2.85	-43.85
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907718	0	41	-1.0	-49.88	344.77	4.47	-45.41
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007907719	0	34	-1.0	-47.82	308.51	2.72	-45.10
COC1=CC(F)=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(F)=C1	REAL300007907720	0	34	-1.0	-50.59	304.78	2.02	-48.57
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007907721	0	34	-1.0	-53.04	313.91	2.14	-50.90
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907722	0	36	-1.0	-51.43	313.71	2.38	-49.05
CN1C=CC2=CC(S(=O)(=O)N[C@H]3CCO[C@H]3C(=O)[O-])=CC=C21	REAL300007907723	0	37	-1.0	-55.41	322.10	4.25	-51.16
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007907724	0	39	-1.0	-47.54	348.29	2.94	-44.60
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907725	0	43	-1.0	-55.15	359.21	4.82	-50.33
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007907726	0	41	-1.0	-48.22	357.11	5.35	-42.87
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907727	0	36	-1.0	-54.56	299.35	3.70	-50.86
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007907728	0	31	-1.0	-57.98	310.55	1.37	-56.61
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907729	0	41	-1.0	-55.09	350.18	4.26	-50.83
CCN1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300007907730	0	40	-1.0	-51.38	343.14	3.08	-48.30
CC1=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300007907731	0	34	-1.0	-47.93	307.35	1.91	-46.02
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007907732	0	36	-1.0	-48.48	330.81	5.27	-43.21
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007907733	0	40	-1.0	-49.13	360.36	6.38	-42.75
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007907734	0	29	-1.0	-48.75	294.88	0.70	-48.05
CCC1=CC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=CC=C1Br	REAL300007907735	0	36	-1.0	-46.69	327.60	4.37	-42.32
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907736	0	43	-1.0	-49.31	351.57	3.54	-45.77
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CS1	REAL300007907737	0	27	-1.0	-45.78	277.98	2.03	-43.75
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907738	0	44	-1.0	-48.43	370.20	3.27	-45.16
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007907739	0	36	-1.0	-59.15	329.54	5.37	-53.78
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907740	0	38	-1.0	-48.72	315.22	0.27	-48.45
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007907741	0	37	-1.0	-47.83	304.22	4.64	-43.19
CC1(C)CCN(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300007907742	0	41	-1.0	-57.39	320.83	2.64	-54.75
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007907743	0	45	-1.0	-49.09	371.30	2.83	-46.26
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907744	0	33	-1.0	-53.40	309.95	0.38	-53.02
COC1=NC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1C	REAL300007907745	0	36	-1.0	-47.58	313.87	0.03	-47.55
CC(C)CN1C=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=N1	REAL300007907746	0	39	-1.0	-53.84	336.39	2.61	-51.23
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907747	0	39	-1.0	-50.12	330.16	2.10	-48.02
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007907748	0	40	-1.0	-60.03	330.05	0.29	-59.74
COCC1=CC(CS(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=NO1	REAL300007907749	0	36	-1.0	-53.81	322.58	0.38	-53.43
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007907750	0	35	-1.0	-48.66	314.61	3.87	-44.79
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])N=C1	REAL300007907751	0	41	-1.0	-54.51	340.76	2.88	-51.63
CC(C)N1N=CC=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907752	0	36	-1.0	-48.44	304.97	1.55	-46.89
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007907753	0	37	-1.0	-46.88	318.01	2.69	-44.19
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007907754	0	37	-1.0	-49.87	324.28	3.77	-46.10
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007907755	0	32	-1.0	-52.23	298.44	1.50	-50.73
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300007907756	0	35	-1.0	-50.93	303.89	2.83	-48.10
CC1=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=NN1C(C)C	REAL300007907757	0	39	-1.0	-44.26	329.42	2.15	-42.11
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C=C1	REAL300007907758	0	44	-1.0	-50.02	376.97	6.03	-43.99
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007907759	0	35	-1.0	-54.80	302.51	3.27	-51.53
CC1=CN=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C)=C1	REAL300007907760	0	35	-1.0	-49.12	300.13	2.28	-46.84
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)N1CC=C(Br)CC1	REAL300007907761	0	33	-1.0	-44.37	300.59	2.13	-42.24
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907762	0	38	-1.0	-55.40	320.03	-1.89	-57.29
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)N1CC2CCC(C1)O2	REAL300007907763	0	37	-1.0	-43.95	283.26	0.15	-43.80
N#CC1CCN(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])CC1	REAL300007907764	0	36	-1.0	-49.54	299.19	1.62	-47.92
COC1=CC=NC(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907765	0	33	-1.0	-53.32	294.97	-0.14	-53.46
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C(C(F)F)=C1	REAL300007907766	0	37	-1.0	-51.73	313.38	2.95	-48.78
COC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])N=C1	REAL300007907767	0	33	-1.0	-53.59	293.77	-0.14	-53.73
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907768	0	36	-1.0	-54.20	333.86	0.73	-53.47
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007907769	0	35	-1.0	-48.79	299.40	2.93	-45.86
CCOC1=CC=CN=C1S(=O)(=O)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL300007907770	0	36	-1.0	-58.90	309.50	1.95	-56.95
CC1=CC=C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007907771	0	38	-1.0	-56.31	323.36	3.87	-52.44
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007907772	0	34	-1.0	-54.94	299.48	2.37	-52.57
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)N1CCC(F)(F)C1	REAL300007907773	0	32	-1.0	-46.10	283.33	0.89	-45.21
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007907774	0	32	-1.0	-55.10	299.60	1.48	-53.62
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007907775	0	37	-1.0	-53.53	336.90	3.53	-50.00
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H]2CCO[C@H]2C(=O)[O-])=C1	REAL300007907776	0	43	-1.0	-50.41	351.40	4.98	-45.43
CC(NS(=O)(=O)CCCC(=O)[O-])C1=CC=C(OC(C)C2=CC=CC=C2)C=C1	REAL300007907777	0	51	-1.0	-54.37	422.08	8.21	-46.16
CC(NS(=O)(=O)CCCC(=O)[O-])C1=CC=C(OC(C)C2=CC=CC=C2)C=C1	REAL300007907778	0	51	-1.0	-54.37	422.08	8.21	-46.16
COCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC(OC)=C1	REAL300007907779	0	43	-1.0	-51.52	371.06	4.26	-47.26
COCC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907780	0	43	-1.0	-55.19	369.25	4.17	-51.02
COCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C1=CC=CC(OC)=C1	REAL300007907781	0	46	-1.0	-56.48	387.08	5.22	-51.26
COCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C1=CC=CC(OC)=C1	REAL300007907782	0	47	-1.0	-57.42	385.75	4.06	-53.36
COCC(NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907783	0	46	-1.0	-54.68	385.28	4.71	-49.97
COCC(NS(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=CC(OC)=C1	REAL300007907784	0	40	-1.0	-50.15	355.58	4.09	-46.06
COCC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907785	0	43	-1.0	-55.19	369.25	4.17	-51.02
COCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=CC=CC(OC)=C1	REAL300007907786	0	43	-1.0	-51.52	371.06	4.26	-47.26
COCC(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907787	0	43	-1.0	-53.42	361.65	5.17	-48.25
COCC(NS(=O)(=O)C1=CNC(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907788	0	41	-1.0	-51.60	357.83	1.90	-49.70
COCC(NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=CC(OC)=C1	REAL300007907789	0	43	-1.0	-53.59	376.45	2.41	-51.18
COCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=CC(OC)=C1	REAL300007907790	0	40	-1.0	-50.03	363.81	3.40	-46.63
COCC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907791	0	40	-1.0	-54.47	348.43	1.33	-53.14
COCC(NS(=O)(=O)N1CCCC(C(=O)[O-])C1)C1=CC=CC(OC)=C1	REAL300007907792	0	48	-1.0	-50.97	388.66	3.36	-47.61
COCC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC(OC)=C1	REAL300007907793	0	48	-1.0	-53.14	385.84	3.50	-49.64
COCC(NS(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907794	0	43	-1.0	-53.42	361.65	5.17	-48.25
COCC(NS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907795	0	43	-1.0	-46.72	375.44	5.55	-41.17
COCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CC(OC)=C1	REAL300007907796	0	40	-1.0	-51.86	357.10	2.69	-49.17
COCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1)C1=CC=CC(OC)=C1	REAL300007907797	0	43	-1.0	-52.12	375.31	3.15	-48.97
COCC(NS(=O)(=O)CCCC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907798	0	42	-1.0	-53.70	354.45	2.81	-50.89
COCC(NS(=O)(=O)N1CCCC1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907799	0	45	-1.0	-59.95	368.58	3.51	-56.44
COCC(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC(OC)=C1	REAL300007907800	0	46	-1.0	-59.65	392.22	4.90	-54.75
COCC(NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CC=CC(OC)=C1	REAL300007907801	0	48	-1.0	-53.14	385.84	3.50	-49.64
COCC(NS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907802	0	46	-1.0	-61.16	392.22	4.89	-56.27
COCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CC(OC)=C1	REAL300007907803	0	40	-1.0	-51.86	357.10	2.69	-49.17
COCC(NS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=CC=CC(OC)=C1	REAL300007907804	0	47	-1.0	-49.97	400.34	4.46	-45.51
COCC(NS(=O)(=O)CCCC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907805	0	42	-1.0	-53.70	354.45	2.81	-50.89
COCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=CC(OC)=C1	REAL300007907806	0	40	-1.0	-51.08	362.36	3.24	-47.84
COCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C)C1=CC=CC(OC)=C1	REAL300007907807	0	49	-1.0	-57.69	404.15	5.74	-51.95
COCC(NS(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907808	0	46	-1.0	-55.60	385.77	5.46	-50.14
COCC(NS(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907809	0	40	-1.0	-53.25	363.09	3.32	-49.93
COCC(NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C)C1=CC=CC(OC)=C1	REAL300007907810	0	46	-1.0	-50.41	379.65	4.83	-45.58
COCC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=CC=CC(OC)=C1	REAL300007907811	0	46	-1.0	-50.22	391.44	4.96	-45.26
COCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=CC(OC)=C1	REAL300007907812	0	40	-1.0	-50.37	355.17	2.36	-48.01
COCC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907813	0	46	-1.0	-54.01	393.31	5.04	-48.97
COCC(NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907814	0	43	-1.0	-54.78	377.28	3.40	-51.38
COCC(NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907815	0	42	-1.0	-48.80	364.42	2.36	-46.44
COCC(NS(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907816	0	39	-1.0	-53.89	347.45	2.41	-51.48
COCC(NS(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=CC(OC)=C1	REAL300007907817	0	39	-1.0	-57.56	353.91	2.02	-55.54
COCC(NS(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907818	0	42	-1.0	-56.62	358.32	3.39	-53.23
COCC(NS(=O)(=O)CCCCCC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907819	0	48	-1.0	-55.34	397.45	4.37	-50.97
COCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=CC(OC)=C1	REAL300007907820	0	42	-1.0	-53.51	367.05	2.46	-51.05
COCC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907821	0	43	-1.0	-49.26	385.99	4.70	-44.56
COCC(NS(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907822	0	47	-1.0	-58.93	396.53	4.26	-54.67
COCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1)C1=CC=CC(OC)=C1	REAL300007907823	0	46	-1.0	-50.80	387.13	4.81	-45.99
COCC(NS(=O)(=O)N(C)CCC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907824	0	44	-1.0	-50.68	367.52	2.57	-48.11
COCC(NS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907825	0	43	-1.0	-49.26	385.99	4.70	-44.56
COCC(NS(=O)(=O)C1=C(C(=O)[O-])SC=C1C)C1=CC=CC(OC)=C1	REAL300007907826	0	43	-1.0	-53.96	371.26	4.78	-49.18
COCC(NS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=CC=CC(OC)=C1	REAL300007907827	0	46	-1.0	-59.65	392.22	4.90	-54.75
COCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC)C1=CC=CC(OC)=C1	REAL300007907828	0	47	-1.0	-57.42	385.75	4.06	-53.36
COCC(NS(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907829	0	46	-1.0	-54.68	385.28	4.71	-49.97
COCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C)C1=CC=CC(OC)=C1	REAL300007907830	0	46	-1.0	-56.48	387.08	5.22	-51.26
COCC(NS(=O)(=O)CC1(CC(=O)[O-])CC1)C1=CC=CC(OC)=C1	REAL300007907831	0	46	-1.0	-50.36	381.50	4.16	-46.20
COCC(NS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907832	0	46	-1.0	-54.01	393.31	5.04	-48.97
CCC1=C(S(=O)(=O)NC(COC)C2=CC=CC(OC)=C2)C=C(C(=O)[O-])O1	REAL300007907833	0	46	-1.0	-53.01	394.42	4.11	-48.90
COCC(NS(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907834	0	45	-1.0	-48.79	382.63	2.98	-45.81
COCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC)C1=CC=CC(OC)=C1	REAL300007907835	0	47	-1.0	-49.72	385.79	4.08	-45.64
COCC(NS(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1)C1=CC=CC(OC)=C1	REAL300007907836	0	47	-1.0	-54.96	396.49	4.26	-50.70
COCC(NS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1)C1=CC=CC(OC)=C1	REAL300007907837	0	46	-1.0	-52.00	396.82	5.00	-47.00
COCC(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=CC(OC)=C1	REAL300007907838	0	43	-1.0	-52.68	359.86	2.43	-50.25
COCC(NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1)C1=CC=CC(OC)=C1	REAL300007907839	0	43	-1.0	-52.96	375.07	3.28	-49.68
COCC(NS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907840	0	43	-1.0	-53.08	381.76	4.59	-48.49
COCC(NS(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=CC=CC(OC)=C1	REAL300007907841	0	40	-1.0	-55.87	349.53	3.17	-52.70
COCC(NS(=O)(=O)C1(C(=O)[O-])CCC1)C1=CC=CC(OC)=C1	REAL300007907842	0	43	-1.0	-45.50	347.20	3.17	-42.33
COCC(NS(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907843	0	47	-1.0	-51.35	388.11	4.34	-47.01
COCC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907844	0	40	-1.0	-54.47	348.43	1.33	-53.14
COCC(NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C)C1=CC=CC(OC)=C1	REAL300007907845	0	43	-1.0	-52.68	359.86	2.43	-50.25
COCC(NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=CC(OC)=C1	REAL300007907846	0	42	-1.0	-50.06	367.30	2.38	-47.68
COCC(NS(=O)(=O)CC1=CC=CC=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907847	0	46	-1.0	-59.08	384.34	5.42	-53.66
COCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC(OC)=C1	REAL300007907848	0	40	-1.0	-48.45	371.98	2.96	-45.49
COCC(NS(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907849	0	47	-1.0	-54.41	391.11	4.47	-49.94
COCC(NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907850	0	42	-1.0	-55.38	365.33	2.41	-52.97
COCC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907851	0	40	-1.0	-46.33	355.46	0.54	-45.79
COCC(NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C)C1=CC=CC(OC)=C1	REAL300007907852	0	43	-1.0	-57.25	373.45	2.04	-55.21
COCC(NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=CC=CC(OC)=C1	REAL300007907853	0	43	-1.0	-54.91	357.90	3.30	-51.61
COCC(NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=CC(OC)=C1	REAL300007907854	0	46	-1.0	-55.68	373.04	3.79	-51.89
COCC(NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1)C1=CC=CC(OC)=C1	REAL300007907855	0	43	-1.0	-51.97	381.81	3.97	-48.00
COCC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907856	0	46	-1.0	-59.17	384.57	5.54	-53.63
COCC(NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907857	0	43	-1.0	-55.71	365.07	3.53	-52.18
COCC(NS(=O)(=O)N1CCCCC1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907858	0	48	-1.0	-56.70	374.46	4.43	-52.27
COCC(NS(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC(OC)=C1	REAL300007907859	0	40	-1.0	-46.33	355.46	0.54	-45.79
COCC(NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907860	0	45	-1.0	-57.84	369.47	3.38	-54.46
COCC(NS(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907861	0	40	-1.0	-54.47	348.43	1.33	-53.14
COCC(NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907862	0	43	-1.0	-59.58	348.22	3.90	-55.68
COCC(NS(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1)C1=CC=CC(OC)=C1	REAL300007907863	0	45	-1.0	-52.48	381.90	2.93	-49.55
COCC(NS(=O)(=O)C1=CC=CC=C1CC(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907864	0	46	-1.0	-59.17	384.57	5.54	-53.63
COCC(NS(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=CC(OC)=C1	REAL300007907865	0	42	-1.0	-47.53	357.19	3.39	-44.14
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1	REAL300007907866	0	33	-1.0	-49.38	293.79	5.62	-43.76
O=C([O-])C1=CC=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907867	0	33	-1.0	-53.44	293.79	5.61	-47.83
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907868	0	36	-1.0	-66.91	300.82	6.10	-60.81
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907869	0	37	-1.0	-65.64	316.62	5.39	-60.25
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1C(=O)[O-]	REAL300007907870	0	36	-1.0	-58.36	302.93	6.01	-52.35
O=C([O-])C1=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=CS1	REAL300007907871	0	30	-1.0	-55.84	271.96	5.04	-50.80
O=C([O-])C1=CC=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907872	0	33	-1.0	-53.44	293.79	5.61	-47.83
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1	REAL300007907873	0	33	-1.0	-49.38	293.79	5.62	-43.76
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907874	0	33	-1.0	-67.71	287.11	6.65	-61.06
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=CN1	REAL300007907875	0	31	-1.0	-51.53	283.73	3.39	-48.14
O=C([O-])CN1C=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=N1	REAL300007907876	0	33	-1.0	-51.81	297.34	3.60	-48.21
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)S1	REAL300007907877	0	30	-1.0	-50.83	285.48	4.57	-46.26
O=C([O-])C1=CNN=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907878	0	30	-1.0	-68.62	270.15	2.66	-65.96
O=C([O-])C1CCCN(S(=O)(=O)N2CC3CC2(C(F)F)C3)C1	REAL300007907879	0	38	-1.0	-50.31	310.70	4.71	-45.60
O=C([O-])C1CCN(S(=O)(=O)N2CC3CC2(C(F)F)C3)CC1	REAL300007907880	0	38	-1.0	-48.68	307.98	4.51	-44.17
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907881	0	33	-1.0	-67.71	287.11	6.65	-61.06
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907882	0	33	-1.0	-61.30	303.71	7.24	-54.06
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)O1	REAL300007907883	0	30	-1.0	-50.00	277.55	3.85	-46.15
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)O1	REAL300007907884	0	33	-1.0	-50.44	298.32	4.49	-45.95
O=C([O-])C1CCCN1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907885	0	35	-1.0	-48.22	289.06	3.89	-44.33
O=C([O-])C1=CC=C(CS(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1	REAL300007907886	0	36	-1.0	-61.81	317.19	6.47	-55.34
O=C([O-])C1CCN(S(=O)(=O)N2CC3CC2(C(F)F)C3)CC1	REAL300007907887	0	38	-1.0	-48.68	307.98	4.51	-44.17
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907888	0	36	-1.0	-62.62	319.21	6.40	-56.22
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)O1	REAL300007907889	0	30	-1.0	-50.00	277.55	3.85	-46.15
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1	REAL300007907890	0	37	-1.0	-49.28	324.83	5.89	-43.39
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907891	0	37	-1.0	-54.98	336.71	6.69	-48.29
O=C([O-])C1=CSC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907892	0	30	-1.0	-50.08	288.52	4.66	-45.42
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1C	REAL300007907893	0	39	-1.0	-62.44	321.00	6.55	-55.89
CC1=CC=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1C(=O)[O-]	REAL300007907894	0	36	-1.0	-63.27	299.01	6.52	-56.75
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907895	0	40	-1.0	-63.16	343.60	5.25	-57.91
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=CS1	REAL300007907896	0	30	-1.0	-51.75	286.21	4.68	-47.07
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907897	0	36	-1.0	-58.78	324.51	7.67	-51.11
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907898	0	36	-1.0	-54.69	295.84	6.05	-48.64
O=C([O-])C1=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C2=CC=CC=C2S1	REAL300007907899	0	36	-1.0	-54.27	312.23	7.49	-46.78
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1	REAL300007907900	0	36	-1.0	-50.40	315.99	6.38	-44.02
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1[N+](=O)[O-]	REAL300007907901	0	38	-1.0	-43.13	331.44	6.71	-36.42
O=C([O-])C1=COC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907902	0	30	-1.0	-53.03	277.81	3.58	-49.45
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907903	0	36	-1.0	-54.28	316.13	6.34	-47.94
CC1=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C(C(=O)[O-])O1	REAL300007907904	0	33	-1.0	-57.80	296.49	4.59	-53.21
O=C([O-])C1=CN=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907905	0	32	-1.0	-54.89	282.15	3.64	-51.25
O=C([O-])C1=NSC=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907906	0	29	-1.0	-51.53	268.90	3.47	-48.06
O=C([O-])C1=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)SC=N1	REAL300007907907	0	29	-1.0	-67.00	278.18	3.39	-63.61
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907908	0	32	-1.0	-71.00	284.26	4.85	-66.15
O=C([O-])CCCCCS(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907909	0	38	-1.0	-55.22	324.44	5.87	-49.35
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=N1	REAL300007907910	0	32	-1.0	-51.34	287.03	3.64	-47.70
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907911	0	33	-1.0	-46.97	308.49	5.91	-41.06
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907912	0	33	-1.0	-47.03	313.06	6.02	-41.01
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1C(=O)[O-]	REAL300007907913	0	37	-1.0	-67.03	314.18	5.55	-61.48
CC1=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=CC=C1C(=O)[O-]	REAL300007907914	0	36	-1.0	-48.65	309.81	6.15	-42.50
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CC4CC3(C(F)F)C4)C=CC=C21	REAL300007907915	0	38	-1.0	-53.48	322.97	5.65	-47.83
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907916	0	40	-1.0	-63.16	343.60	5.25	-57.91
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907917	0	33	-1.0	-46.97	308.49	5.91	-41.06
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907918	0	33	-1.0	-57.43	281.75	5.83	-51.60
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907919	0	36	-1.0	-44.65	325.70	7.00	-37.65
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CC4CC3(C(F)F)C4)C=C12	REAL300007907920	0	39	-1.0	-52.33	337.92	6.77	-45.56
O=C([O-])C1=CC=C(CS(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1	REAL300007907921	0	36	-1.0	-61.81	317.19	6.47	-55.34
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907922	0	37	-1.0	-65.64	316.62	5.39	-60.25
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1C(=O)[O-]	REAL300007907923	0	36	-1.0	-58.36	302.93	6.01	-52.35
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907924	0	36	-1.0	-66.91	300.82	6.10	-60.81
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907925	0	37	-1.0	-46.74	331.14	5.54	-41.20
O=C([O-])CC1(CS(=O)(=O)N2CC3CC2(C(F)F)C3)CC1	REAL300007907926	0	36	-1.0	-55.92	302.73	5.53	-50.39
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907927	0	36	-1.0	-54.28	316.13	6.34	-47.94
COC1=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)SC(C(=O)[O-])=C1	REAL300007907928	0	34	-1.0	-48.31	315.92	4.87	-43.44
O=C([O-])C1CC2=CC(S(=O)(=O)N3CC4CC3(C(F)F)C4)=CC=C2O1	REAL300007907929	0	38	-1.0	-55.59	325.38	6.20	-49.39
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1C(F)(F)F	REAL300007907930	0	36	-1.0	-48.18	323.89	6.42	-41.76
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CC4CC3(C(F)F)C4)C=C2)CC1	REAL300007907931	0	40	-1.0	-58.42	333.05	7.35	-51.07
CCC1=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C(C(=O)[O-])O1	REAL300007907932	0	36	-1.0	-61.86	309.92	5.18	-56.68
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907933	0	35	-1.0	-60.52	313.34	7.21	-53.31
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CC4CC3(C(F)F)C4)=CC=C2S1	REAL300007907934	0	36	-1.0	-49.85	328.87	6.93	-42.92
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907935	0	35	-1.0	-61.66	312.84	7.36	-54.30
CC1=NC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1C(=O)[O-]	REAL300007907936	0	35	-1.0	-46.46	305.44	4.30	-42.16
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907937	0	37	-1.0	-50.84	321.87	5.46	-45.38
COC1=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=CC=C1C(=O)[O-]	REAL300007907938	0	37	-1.0	-54.67	321.03	5.68	-48.99
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C(CC(=O)[O-])=C1	REAL300007907939	0	40	-1.0	-74.32	337.67	6.02	-68.30
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1F	REAL300007907940	0	36	-1.0	-48.81	321.39	6.42	-42.39
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907941	0	36	-1.0	-50.40	330.49	6.41	-43.99
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1	REAL300007907942	0	42	-1.0	-51.19	346.97	7.24	-43.95
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907943	0	33	-1.0	-56.59	276.62	3.59	-53.00
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CC4CC3(C(F)F)C4)C=CC=C12	REAL300007907944	0	39	-1.0	-56.16	322.71	7.53	-48.63
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907945	0	33	-1.0	-52.87	298.24	4.58	-48.29
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907946	0	33	-1.0	-61.25	308.28	7.34	-53.91
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=CC=C1Cl	REAL300007907947	0	33	-1.0	-56.03	299.37	5.86	-50.17
O=C([O-])C1=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)OC=C1	REAL300007907948	0	30	-1.0	-62.18	273.77	4.41	-57.77
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907949	0	37	-1.0	-65.92	315.06	5.96	-59.96
O=C([O-])C1=CNN=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907950	0	30	-1.0	-68.62	270.15	2.66	-65.96
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907951	0	33	-1.0	-56.59	276.62	3.59	-53.00
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907953	0	40	-1.0	-54.42	330.97	5.37	-49.05
O=C([O-])C1=CC=NC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907954	0	32	-1.0	-52.67	287.50	3.55	-49.12
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907955	0	36	-1.0	-66.25	304.24	6.70	-59.55
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907956	0	30	-1.0	-46.86	295.18	4.27	-42.59
O=C([O-])C1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C2=CC=CC=C12	REAL300007907957	0	39	-1.0	-54.28	324.71	7.38	-46.90
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907958	0	40	-1.0	-60.04	340.56	6.18	-53.86
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C(C(=O)[O-])=C1	REAL300007907959	0	37	-1.0	-68.22	314.57	5.85	-62.37
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=CC=N1	REAL300007907960	0	32	-1.0	-63.05	283.14	3.71	-59.34
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=NN1	REAL300007907961	0	30	-1.0	-52.03	272.07	1.76	-50.27
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907962	0	33	-1.0	-54.38	288.78	3.17	-51.21
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CC4CC3(C(F)F)C4)C=C2C=C1	REAL300007907963	0	39	-1.0	-52.64	339.58	7.87	-44.77
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CC3CC2(C(F)F)C3)C1	REAL300007907964	0	36	-1.0	-61.20	297.11	5.28	-55.92
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)S1	REAL300007907965	0	33	-1.0	-51.22	305.38	5.35	-45.87
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907966	0	39	-1.0	-75.18	329.43	9.02	-66.16
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C1	REAL300007907967	0	36	-1.0	-49.30	320.57	7.02	-42.28
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907968	0	36	-1.0	-65.19	307.24	7.11	-58.08
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N1CC3CC1(C(F)F)C3)=C2	REAL300007907969	0	33	-1.0	-49.66	319.96	6.02	-43.64
O=C([O-])C1=NC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=C2C=CC=CN21	REAL300007907970	0	36	-1.0	-73.22	323.71	4.24	-68.98
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CC4CC3(C(F)F)C4)=C2C=C1	REAL300007907971	0	36	-1.0	-46.57	323.02	6.85	-39.72
O=C([O-])C1CCCCN1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907972	0	38	-1.0	-62.67	292.26	5.32	-57.35
O=C([O-])C1=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=NN1	REAL300007907973	0	30	-1.0	-52.03	272.07	1.76	-50.27
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907974	0	35	-1.0	-70.66	291.30	4.57	-66.09
O=C([O-])C1=CNN=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907975	0	30	-1.0	-68.62	270.15	2.66	-65.96
O=C([O-])C1=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C(Cl)S1	REAL300007907976	0	30	-1.0	-51.15	287.59	5.57	-45.58
CC1=CC(S(=O)(=O)N2CC3CC2(C(F)F)C3)=CN=C1C(=O)[O-]	REAL300007907977	0	35	-1.0	-57.39	299.55	4.20	-53.19
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907978	0	36	-1.0	-65.19	307.24	7.11	-58.08
CCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(F)F)C3)C=C1C(=O)[O-]	REAL300007907979	0	40	-1.0	-64.49	336.03	6.42	-58.07
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CC4CC3(C(F)F)C4)C=C2C1	REAL300007907980	0	40	-1.0	-52.61	336.57	7.32	-45.29
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CC2CC1(C(F)F)C2	REAL300007907981	0	32	-1.0	-61.65	282.81	4.90	-56.75
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CC4CC3(C(F)F)C4)C=C2C=C1	REAL300007907982	0	38	-1.0	-59.54	328.56	5.85	-53.69
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007907983	0	36	-1.0	-50.39	322.82	5.88	-44.51
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007907984	0	36	-1.0	-55.28	322.00	5.91	-49.37
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007907985	0	39	-1.0	-52.76	337.85	6.57	-46.19
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007907986	0	40	-1.0	-60.20	340.13	5.65	-54.55
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007907987	0	39	-1.0	-55.04	338.02	6.45	-48.59
COC1=CC=CC=C1N(C)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007907988	0	33	-1.0	-67.36	305.83	5.49	-61.87
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007907989	0	36	-1.0	-55.28	322.00	5.91	-49.37
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007907990	0	36	-1.0	-50.39	322.82	5.88	-44.51
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007907991	0	36	-1.0	-72.84	310.71	6.79	-66.05
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007907992	0	34	-1.0	-53.08	311.38	3.60	-49.48
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007907993	0	36	-1.0	-51.47	327.41	4.00	-47.47
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007907994	0	33	-1.0	-50.06	315.12	5.02	-45.04
COC1=CC=CC=C1N(C)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007907995	0	33	-1.0	-57.40	295.28	2.78	-54.62
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007907996	0	36	-1.0	-72.84	310.71	6.79	-66.05
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007907997	0	36	-1.0	-64.19	329.76	7.30	-56.89
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007907998	0	33	-1.0	-52.38	306.76	4.30	-48.08
COC1=CC=CC=C1N(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300007907999	0	36	-1.0	-52.58	325.85	4.71	-47.87
COC1=CC=CC=C1N(C)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007908000	0	39	-1.0	-60.86	346.46	6.62	-54.24
CC1=C(Br)C=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007931060	0	33	-1.0	-39.38	311.01	5.50	-33.88
COCCOC1=CC=C(F)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931061	0	39	-1.0	-46.99	334.92	3.96	-43.03
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C	REAL300007931062	0	39	-1.0	-44.87	340.27	0.89	-43.98
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007931063	0	46	-1.0	-50.03	335.44	5.48	-44.55
CC1=NC2=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=CC=C2C=C1	REAL300007931064	0	36	-1.0	-60.76	302.54	5.42	-55.34
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007931065	0	36	-1.0	-53.28	312.28	5.74	-47.54
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300007931066	0	46	-1.0	-56.84	383.62	6.47	-50.37
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007931067	0	39	-1.0	-46.10	324.83	2.43	-43.67
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931068	0	42	-1.0	-46.51	366.96	5.12	-41.39
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931069	0	42	-1.0	-45.48	356.94	5.16	-40.32
COCCOCCOCCS(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931070	0	42	-1.0	-46.48	355.99	1.17	-45.31
CC(COC1CCCC1)CS(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931071	0	44	-1.0	-40.82	348.07	5.24	-35.58
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007931072	0	43	-1.0	-55.82	367.95	5.38	-50.44
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931073	0	35	-1.0	-43.40	317.48	4.10	-39.30
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300007931074	0	46	-1.0	-59.72	390.96	2.04	-57.68
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007931075	0	36	-1.0	-43.58	307.48	1.62	-41.96
COC1=CC(Br)=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931076	0	32	-1.0	-43.21	300.23	3.79	-39.42
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007931077	0	32	-1.0	-39.19	287.15	3.98	-35.21
COC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007931078	0	34	-1.0	-42.64	304.45	4.54	-38.10
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931079	0	34	-1.0	-47.84	294.65	5.33	-42.51
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931080	0	34	-1.0	-39.00	291.83	5.15	-33.85
CC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007931081	0	34	-1.0	-47.50	302.79	5.32	-42.18
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007931082	0	35	-1.0	-46.83	313.79	4.41	-42.42
CCCCCCCCN1N=C(C)C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1C	REAL300007931083	0	55	-1.0	-47.39	433.07	8.32	-39.07
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1F	REAL300007931084	0	42	-1.0	-46.51	360.00	1.72	-44.79
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007931085	0	36	-1.0	-44.00	321.12	6.06	-37.94
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007931086	0	31	-1.0	-43.07	294.02	5.14	-37.93
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1Br	REAL300007931087	0	31	-1.0	-43.80	289.54	5.08	-38.72
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007931088	0	35	-1.0	-56.04	314.04	1.74	-54.30
CC1=CC(Br)=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931089	0	31	-1.0	-41.83	292.14	5.15	-36.68
CC1=C(Br)C=CC=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931090	0	31	-1.0	-42.06	273.35	4.87	-37.19
COC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300007931091	0	32	-1.0	-42.47	299.35	3.84	-38.63
COC1=CC(OC)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1Cl	REAL300007931092	0	36	-1.0	-53.94	316.25	3.61	-50.33
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007931093	0	31	-1.0	-46.76	292.88	2.86	-43.90
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007931094	0	39	-1.0	-45.66	326.87	5.12	-40.54
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007931095	0	31	-1.0	-52.06	287.47	3.02	-49.04
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931096	0	39	-1.0	-60.16	325.23	2.65	-57.51
CC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1I	REAL300007931097	0	31	-1.0	-42.13	294.78	5.51	-36.62
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931098	0	40	-1.0	-51.38	352.59	3.01	-48.37
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931099	0	45	-1.0	-53.35	386.20	3.58	-49.77
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931100	0	45	-1.0	-52.68	391.82	2.31	-50.37
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007931101	0	36	-1.0	-47.93	328.39	0.64	-47.29
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])S1	REAL300007931102	0	42	-1.0	-50.45	384.24	1.42	-49.03
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(OC)=C1	REAL300007931103	0	43	-1.0	-59.88	369.33	1.20	-58.68
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(F)=C1	REAL300007931104	0	42	-1.0	-57.26	368.70	2.00	-55.26
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931105	0	42	-1.0	-48.11	366.83	1.69	-46.42
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007931106	0	39	-1.0	-71.03	331.42	3.74	-67.29
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1F	REAL300007931107	0	42	-1.0	-46.72	370.84	2.25	-44.47
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007931108	0	43	-1.0	-58.24	348.66	5.13	-53.11
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1F	REAL300007931109	0	39	-1.0	-46.95	349.85	1.54	-45.41
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007931110	0	43	-1.0	-43.95	363.19	4.31	-39.64
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007931111	0	40	-1.0	-60.81	340.29	3.61	-57.20
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931112	0	37	-1.0	-51.69	331.09	2.21	-49.48
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931113	0	38	-1.0	-50.05	330.96	1.21	-48.84
CCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1Br	REAL300007931114	0	35	-1.0	-45.12	320.69	4.69	-40.43
COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007931115	0	42	-1.0	-51.85	356.56	6.87	-44.98
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007931116	0	32	-1.0	-39.34	297.48	4.43	-34.91
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007931117	0	34	-1.0	-43.45	329.39	1.92	-41.53
COC1=CC=C(Br)C(CS(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931118	0	35	-1.0	-45.37	318.92	4.39	-40.98
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007931119	0	42	-1.0	-49.92	361.51	5.80	-44.12
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931120	0	35	-1.0	-42.33	310.67	4.83	-37.50
CC(C)N1N=CC2=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C21	REAL300007931121	0	40	-1.0	-46.49	340.14	5.41	-41.08
CCS(=O)(=O)NCCS(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931122	0	35	-1.0	-47.24	311.50	-1.36	-48.60
CC1=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007931123	0	34	-1.0	-48.82	305.15	4.91	-43.91
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007931124	0	31	-1.0	-48.46	304.01	5.74	-42.72
CC1=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007931125	0	34	-1.0	-52.00	309.79	6.56	-45.44
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007931126	0	31	-1.0	-49.67	295.76	5.53	-44.14
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007931127	0	34	-1.0	-54.52	298.85	6.35	-48.17
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007931128	0	34	-1.0	-44.18	309.92	5.58	-38.60
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007931129	0	39	-1.0	-44.51	328.65	5.20	-39.31
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007931130	0	42	-1.0	-53.01	359.63	7.31	-45.70
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007931131	0	41	-1.0	-48.80	354.23	5.42	-43.38
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007931132	0	39	-1.0	-46.37	349.48	0.95	-45.42
CC1=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007931133	0	37	-1.0	-47.59	314.52	6.68	-40.91
CC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1N(C)C	REAL300007931134	0	39	-1.0	-43.83	324.33	4.53	-39.30
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007931135	0	34	-1.0	-44.70	308.96	5.80	-38.90
COC1=CC(C)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1Cl	REAL300007931136	0	35	-1.0	-43.44	300.23	4.17	-39.27
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007931137	0	37	-1.0	-52.67	331.95	2.10	-50.57
CSC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1Cl	REAL300007931138	0	32	-1.0	-45.02	304.64	5.34	-39.68
CCC1=NN(C)C(CC)=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931139	0	40	-1.0	-44.57	321.99	4.17	-40.40
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007931140	0	36	-1.0	-46.53	320.58	2.43	-44.10
CCC1=NOC2=NC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C12	REAL300007931141	0	35	-1.0	-48.17	309.60	1.52	-46.65
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007931142	0	39	-1.0	-46.16	345.51	3.62	-42.54
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007931143	0	34	-1.0	-49.59	315.57	6.69	-42.90
CCC1=CC(CC)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(CC)=C1	REAL300007931144	0	46	-1.0	-44.34	338.88	7.96	-36.38
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931145	1	43	-1.0	-67.73	359.13	1.17	-66.56
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007931146	0	34	-1.0	-42.00	318.34	2.01	-39.99
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007931147	0	37	-1.0	-61.95	313.80	7.79	-54.16
COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(C)=C1F	REAL300007931148	0	35	-1.0	-46.37	288.86	3.58	-42.79
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007931149	0	37	-1.0	-46.82	310.04	5.26	-41.56
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007931151	0	36	-1.0	-46.18	317.13	5.18	-41.00
COCC1=CC(Cl)=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931152	0	35	-1.0	-42.22	321.24	4.10	-38.12
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007931154	0	28	-1.0	-41.27	282.02	4.06	-37.21
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007931155	0	41	-1.0	-55.87	337.16	7.13	-48.74
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007931156	0	39	-1.0	-43.66	329.52	4.64	-39.02
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007931157	0	37	-1.0	-62.62	309.55	1.00	-61.62
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007931158	0	31	-1.0	-46.04	283.86	4.35	-41.69
COC1=CC=C2C=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])CCC2=C1	REAL300007931159	0	40	-1.0	-45.07	332.86	5.49	-39.58
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007931160	0	39	-1.0	-53.72	320.89	1.00	-52.72
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C12	REAL300007931161	0	43	-1.0	-48.43	372.85	7.13	-41.30
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C12	REAL300007931162	0	47	-1.0	-45.56	390.94	4.65	-40.91
CCC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007931163	0	36	-1.0	-48.74	311.83	5.69	-43.05
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007931164	0	28	-1.0	-41.24	270.73	4.49	-36.75
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931165	0	33	-1.0	-39.13	282.57	4.89	-34.24
CCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931166	0	35	-1.0	-41.71	310.18	5.12	-36.59
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931167	0	43	-1.0	-43.17	330.62	6.57	-36.60
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007931168	0	31	-1.0	-50.96	287.23	4.85	-46.11
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007931169	0	31	-1.0	-56.67	273.03	5.23	-51.44
COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007931170	0	34	-1.0	-52.15	303.88	4.55	-47.60
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300007931171	0	44	-1.0	-53.47	376.86	1.42	-52.05
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931172	0	45	-1.0	-48.32	385.68	3.51	-44.81
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007931173	0	39	-1.0	-48.80	343.15	1.84	-46.96
COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1Br	REAL300007931174	0	32	-1.0	-45.29	298.83	3.77	-41.52
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007931175	0	34	-1.0	-39.44	327.22	5.89	-33.55
CC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300007931176	0	31	-1.0	-48.02	287.86	4.99	-43.03
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)=C1	REAL300007931177	0	42	-1.0	-44.53	359.03	7.32	-37.21
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007931178	0	32	-1.0	-41.50	294.91	3.59	-37.91
CC1=C(C)C(C)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(C)=C1C	REAL300007931179	0	43	-1.0	-51.13	314.55	6.59	-44.54
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007931180	0	37	-1.0	-48.73	312.26	3.82	-44.91
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931181	0	44	-1.0	-45.64	348.33	6.04	-39.60
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300007931182	0	35	-1.0	-46.41	324.84	6.26	-40.15
CC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007931183	0	33	-1.0	-49.19	293.13	4.99	-44.20
COC1=CC=C(Br)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931184	0	32	-1.0	-42.35	293.44	4.34	-38.01
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931185	0	46	-1.0	-50.67	345.76	7.47	-43.20
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007931186	0	31	-1.0	-40.80	288.17	4.87	-35.93
COC1=CC=C(OC)C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931187	0	36	-1.0	-46.05	301.61	3.01	-43.04
COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1OC	REAL300007931188	0	36	-1.0	-51.24	307.11	3.01	-48.23
CC(C)CCC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931189	0	43	-1.0	-43.79	352.38	7.30	-36.49
CCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1OCC	REAL300007931190	0	42	-1.0	-47.02	351.36	4.84	-42.18
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007931191	0	33	-1.0	-49.44	303.17	-1.25	-50.69
CC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007931192	0	36	-1.0	-43.17	308.63	5.56	-37.61
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1C	REAL300007931193	0	36	-1.0	-50.49	308.29	5.90	-44.59
CC1=CC2=CC=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C2N=C1	REAL300007931194	0	36	-1.0	-53.84	305.31	5.56	-48.28
COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007931195	0	34	-1.0	-44.77	294.03	4.73	-40.04
COC1=CC(Cl)=CC=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931196	0	32	-1.0	-51.06	287.40	4.22	-46.84
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007931197	0	33	-1.0	-49.10	303.17	-1.25	-50.35
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007931198	0	40	-1.0	-54.19	357.52	1.70	-52.49
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007931199	0	36	-1.0	-45.26	316.76	5.30	-39.96
CC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=CC=CN=C12	REAL300007931200	0	36	-1.0	-55.33	303.57	5.22	-50.11
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C	REAL300007931201	0	36	-1.0	-47.58	299.87	6.64	-40.94
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007931202	0	39	-1.0	-53.48	345.77	1.83	-51.65
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007931203	0	40	-1.0	-56.60	335.35	3.21	-53.39
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007931204	0	34	-1.0	-52.53	309.63	1.32	-51.21
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007931205	0	38	-1.0	-46.53	314.67	7.56	-38.97
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007931206	0	38	-1.0	-45.82	323.61	7.28	-38.54
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007931207	0	42	-1.0	-46.81	336.05	5.74	-41.07
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007931208	0	29	-1.0	-55.02	268.91	2.29	-52.73
COC1=CC=C(Cl)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931209	0	32	-1.0	-42.43	288.88	4.24	-38.19
CCC(C)(C)C1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931210	0	43	-1.0	-44.50	338.12	6.68	-37.82
CC(C)OC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931211	0	38	-1.0	-44.68	318.20	4.64	-40.04
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007931212	0	33	-1.0	-58.31	305.18	6.55	-51.76
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007931213	0	39	-1.0	-51.90	354.01	7.24	-44.66
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931214	0	34	-1.0	-49.20	298.89	4.37	-44.83
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007931215	0	39	-1.0	-42.96	354.84	7.23	-35.73
COC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300007931216	0	43	-1.0	-44.45	367.10	5.93	-38.52
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(C(C)C)=C1	REAL300007931217	0	55	-1.0	-44.98	403.86	9.51	-35.47
CC(C)OC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300007931218	0	44	-1.0	-55.72	356.43	7.13	-48.59
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007931219	0	31	-1.0	-41.28	304.65	5.49	-35.79
COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300007931220	0	38	-1.0	-56.45	316.84	5.59	-50.86
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300007931221	0	46	-1.0	-52.44	385.48	3.80	-48.64
COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007931222	0	44	-1.0	-55.38	368.03	1.47	-53.91
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931223	0	33	-1.0	-47.05	283.67	4.93	-42.12
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931224	0	33	-1.0	-48.99	277.00	4.73	-44.26
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931225	0	36	-1.0	-53.56	302.92	6.12	-47.44
COCCC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931226	0	38	-1.0	-44.24	325.49	4.31	-39.93
COC1=C(C)C=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C	REAL300007931227	0	38	-1.0	-49.93	321.95	4.69	-45.24
CC(C)CCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931228	0	44	-1.0	-43.32	360.83	6.12	-37.20
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007931229	0	42	-1.0	-44.59	342.98	5.99	-38.60
CC(C)COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931230	0	41	-1.0	-43.46	341.87	5.52	-37.94
CCCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931231	0	38	-1.0	-43.40	321.77	4.82	-38.58
COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1Cl	REAL300007931232	0	32	-1.0	-45.37	294.44	3.65	-41.72
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007931233	0	32	-1.0	-44.84	304.20	3.92	-40.92
CC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C1OC(C)C	REAL300007931234	0	41	-1.0	-50.57	337.72	5.40	-45.17
COCCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931235	0	39	-1.0	-45.18	334.40	3.36	-41.82
CC1=CC(Br)=CC=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931236	0	31	-1.0	-48.21	276.87	4.93	-43.28
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1C	REAL300007931237	0	36	-1.0	-58.82	292.47	6.19	-52.63
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931238	0	37	-1.0	-47.34	313.78	1.67	-45.67
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007931239	0	40	-1.0	-48.09	357.94	1.64	-46.45
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931240	0	36	-1.0	-48.77	326.04	0.04	-48.73
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931241	0	36	-1.0	-60.02	307.95	2.00	-58.02
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007931242	0	38	-1.0	-46.00	323.13	7.21	-38.79
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007931243	0	31	-1.0	-39.94	306.70	5.62	-34.32
CC1=NC(C2=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])S2)=CS1	REAL300007931244	0	34	-1.0	-46.04	328.39	4.35	-41.69
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007931245	0	48	-1.0	-43.43	384.00	7.49	-35.94
CC1=CC2=CC=CN=C2C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931246	0	36	-1.0	-52.01	303.81	5.45	-46.56
CNC(=O)C1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CN1C	REAL300007931247	0	36	-1.0	-53.02	312.79	1.60	-51.42
COC1=CC(C)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(C)=C1	REAL300007931248	0	38	-1.0	-44.55	298.71	4.41	-40.14
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007931249	0	39	-1.0	-47.15	333.14	7.91	-39.24
COC1=CC(C)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C	REAL300007931250	0	38	-1.0	-43.02	303.89	4.25	-38.77
CC1=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007931251	0	36	-1.0	-51.32	290.33	4.84	-46.48
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007931252	0	41	-1.0	-49.27	349.22	7.70	-41.57
CCN1C=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007931253	0	33	-1.0	-61.26	298.30	4.55	-56.71
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007931254	0	35	-1.0	-43.42	320.35	4.56	-38.86
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007931255	0	42	-1.0	-44.85	360.18	7.07	-37.78
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007931256	0	38	-1.0	-48.26	334.90	5.36	-42.90
CC(C)CCN(CCC(C)C)S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931257	0	50	-1.0	-42.04	382.03	6.75	-35.29
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007931258	0	36	-1.0	-51.14	323.00	0.58	-50.56
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007931259	0	43	-1.0	-53.86	371.38	3.00	-50.86
CCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300007931260	0	41	-1.0	-56.01	338.50	6.55	-49.46
CCOC1=CC=C(C)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931261	0	38	-1.0	-47.48	316.40	5.39	-42.09
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007931262	0	33	-1.0	-57.00	297.26	3.96	-53.04
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007931263	0	35	-1.0	-46.93	309.99	4.99	-41.94
CCOCCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931264	0	42	-1.0	-45.17	355.75	4.26	-40.91
CCCCCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931265	0	44	-1.0	-43.27	365.27	6.45	-36.82
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007931266	0	34	-1.0	-47.45	297.86	5.69	-41.76
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007931267	0	32	-1.0	-42.26	305.31	5.26	-37.00
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007931268	0	36	-1.0	-60.77	312.05	5.08	-55.69
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007931269	0	33	-1.0	-44.81	297.19	3.97	-40.84
CCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(C)=C1	REAL300007931270	0	38	-1.0	-50.44	306.89	4.54	-45.90
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931271	0	36	-1.0	-49.24	326.05	0.04	-49.20
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007931272	0	32	-1.0	-53.24	280.43	3.95	-49.29
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300007931273	0	46	-1.0	-53.44	386.05	3.79	-49.65
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007931274	0	34	-1.0	-43.56	309.98	5.58	-37.98
CCN(CC1=CC=CC=C1)S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931275	0	39	-1.0	-42.95	317.69	5.68	-37.27
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007931276	0	34	-1.0	-54.38	285.50	3.53	-50.85
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007931277	0	40	-1.0	-46.94	341.40	5.87	-41.07
CC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C(F)(F)F	REAL300007931278	0	34	-1.0	-41.62	303.35	5.32	-36.30
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007931279	0	34	-1.0	-48.16	322.27	4.63	-43.53
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007931280	0	37	-1.0	-47.50	313.76	5.40	-42.10
CC1=NN(C)C2=NC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C12	REAL300007931281	0	36	-1.0	-45.10	315.75	3.60	-41.50
COC1=CC=C(Cl)C=C1CS(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931282	0	35	-1.0	-45.35	316.30	4.50	-40.85
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007931283	0	39	-1.0	-50.02	324.48	5.20	-44.82
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007931284	0	40	-1.0	-60.50	345.52	2.30	-58.20
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007931285	0	35	-1.0	-40.65	319.22	4.40	-36.25
COC1=CC(OC)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1Br	REAL300007931286	0	36	-1.0	-53.94	320.65	3.72	-50.22
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007931287	0	41	-1.0	-46.21	371.72	5.90	-40.31
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007931288	0	36	-1.0	-48.42	305.71	4.56	-43.86
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007931289	0	31	-1.0	-45.43	300.59	5.53	-39.90
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931290	0	40	-1.0	-54.06	326.90	2.28	-51.78
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007931291	0	39	-1.0	-46.66	354.84	7.23	-39.43
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007931292	0	34	-1.0	-46.85	315.86	4.56	-42.29
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007931293	0	34	-1.0	-48.26	332.08	5.01	-43.25
CC1=NC(C2=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)=CO1	REAL300007931294	0	37	-1.0	-50.45	323.94	2.90	-47.55
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007931295	0	31	-1.0	-51.18	276.07	2.35	-48.83
CC1=CC=C(N2C=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=N2)C=C1	REAL300007931296	0	38	-1.0	-51.14	330.58	5.70	-45.44
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007931297	0	36	-1.0	-45.17	323.20	4.98	-40.19
CC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007931298	0	33	-1.0	-40.59	293.15	4.98	-35.61
COC1=CC=CC=C1N1C=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=N1	REAL300007931299	0	39	-1.0	-52.91	337.18	4.62	-48.29
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007931300	0	30	-1.0	-45.57	279.69	3.37	-42.20
CC1=CC2=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C2C=C1	REAL300007931301	0	37	-1.0	-46.93	316.22	6.74	-40.19
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007931302	0	34	-1.0	-41.84	309.49	5.87	-35.97
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007931303	0	40	-1.0	-46.86	323.66	4.42	-42.44
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007931304	0	30	-1.0	-42.82	283.04	3.17	-39.65
COC1=CC=CC(OC)=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931305	0	36	-1.0	-51.67	302.18	4.30	-47.37
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931306	0	36	-1.0	-47.72	300.70	5.48	-42.24
CC1=CC=C(C)C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007931307	0	36	-1.0	-58.41	296.49	6.76	-51.65
CC1=CC(C)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007931308	0	36	-1.0	-54.29	300.03	5.46	-48.83
COC1=CC=C(CCS(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931309	0	38	-1.0	-43.54	322.41	4.70	-38.84
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007931310	0	37	-1.0	-45.09	321.92	5.44	-39.65
COC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CC(OC)=C1	REAL300007931311	0	36	-1.0	-47.58	308.42	2.47	-45.11
CC1=CC2=C(C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])OCO2	REAL300007931312	0	34	-1.0	-51.29	281.44	2.93	-48.36
COC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C1Cl	REAL300007931313	0	32	-1.0	-42.57	294.96	3.73	-38.84
CC1=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007931314	0	36	-1.0	-60.02	291.54	5.28	-54.74
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931315	0	36	-1.0	-39.98	297.50	5.79	-34.19
COC1=CC(C)=CC(C)=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931316	0	38	-1.0	-55.16	306.55	5.43	-49.73
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007931317	0	34	-1.0	-58.67	283.35	5.36	-53.31
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007931318	0	35	-1.0	-56.69	304.35	3.56	-53.13
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007931319	0	41	-1.0	-43.05	349.75	5.36	-37.69
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007931320	0	32	-1.0	-61.84	278.32	3.64	-58.20
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007931321	0	30	-1.0	-57.08	275.07	3.64	-53.44
CC1=CSC(C2=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)=N1	REAL300007931322	0	37	-1.0	-44.94	333.79	5.31	-39.63
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007931323	0	35	-1.0	-57.90	313.62	1.72	-56.18
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007931324	0	37	-1.0	-53.06	304.14	4.19	-48.87
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007931325	0	31	-1.0	-42.80	292.60	5.04	-37.76
CCCCCCCCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931326	0	53	-1.0	-43.20	429.77	8.80	-34.40
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931327	0	38	-1.0	-42.03	331.68	5.92	-36.11
CCC(C)OC1=CC=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931328	0	41	-1.0	-45.17	339.46	5.53	-39.64
COC(CS(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C1CCCCC1	REAL300007931329	0	44	-1.0	-41.12	339.86	4.62	-36.50
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007931330	0	42	-1.0	-47.41	366.40	7.15	-40.26
CCCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300007931331	0	47	-1.0	-44.97	380.89	6.92	-38.05
CCC1=NC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CN1CC1CC1	REAL300007931332	0	41	-1.0	-54.90	347.23	5.76	-49.14
CC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007931333	0	36	-1.0	-48.59	302.84	5.81	-42.78
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007931334	0	41	-1.0	-48.73	347.93	5.98	-42.75
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007931335	0	31	-1.0	-43.80	287.24	2.37	-41.43
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007931336	0	39	-1.0	-51.38	349.01	7.91	-43.47
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007931337	0	38	-1.0	-54.80	307.24	7.01	-47.79
CC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007931338	0	48	-1.0	-50.85	403.84	8.75	-42.10
CCC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C(C)C=C1OC	REAL300007931339	0	41	-1.0	-42.58	324.26	4.93	-37.65
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007931340	0	34	-1.0	-40.63	320.64	5.74	-34.89
CC1=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007931341	0	37	-1.0	-54.81	297.06	6.86	-47.95
CC(C)OC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=N1	REAL300007931342	0	37	-1.0	-44.39	316.72	2.40	-41.99
CCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300007931343	0	44	-1.0	-45.40	358.88	6.04	-39.36
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007931344	0	40	-1.0	-42.10	327.66	6.12	-35.98
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007931345	0	47	-1.0	-55.22	374.15	8.39	-46.83
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007931346	0	38	-1.0	-47.59	303.18	3.78	-43.81
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007931347	0	40	-1.0	-53.27	319.06	4.18	-49.09
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007931348	0	38	-1.0	-47.03	316.33	4.15	-42.88
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007931349	0	31	-1.0	-47.10	273.95	2.47	-44.63
COC1=CC=C(F)C=C1CS(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931350	0	35	-1.0	-45.69	305.84	4.02	-41.67
CCCCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300007931351	0	50	-1.0	-50.26	401.33	7.64	-42.62
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007931352	0	32	-1.0	-42.80	296.32	5.60	-37.20
CCCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C(C)(C)C	REAL300007931353	0	50	-1.0	-49.86	392.39	7.52	-42.34
CCCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1CC	REAL300007931354	0	44	-1.0	-43.93	363.47	6.31	-37.62
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931355	0	34	-1.0	-40.82	286.00	5.63	-35.19
COCCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1Br	REAL300007931356	0	39	-1.0	-48.20	354.32	3.96	-44.24
CC1=CC(Br)=CC=C1CS(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931357	0	34	-1.0	-41.03	309.82	5.72	-35.31
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007931358	0	32	-1.0	-44.23	295.08	5.41	-38.82
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931359	0	44	-1.0	-48.71	363.60	6.66	-42.05
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300007931360	0	43	-1.0	-43.87	378.30	7.74	-36.13
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007931361	0	38	-1.0	-45.73	311.94	4.53	-41.20
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007931362	0	39	-1.0	-54.26	320.93	1.93	-52.33
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007931363	0	34	-1.0	-49.51	315.75	4.85	-44.66
CCCCCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300007931364	0	53	-1.0	-44.84	423.89	8.48	-36.36
COC1=CC(C(C)C)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C	REAL300007931365	0	44	-1.0	-44.34	339.03	5.42	-38.92
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931366	0	38	-1.0	-43.27	317.38	5.28	-37.99
CCOCCOC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1C(C)C	REAL300007931367	0	51	-1.0	-48.32	414.87	6.34	-41.98
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007931368	0	36	-1.0	-48.46	317.59	3.61	-44.85
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007931369	0	34	-1.0	-54.14	298.81	4.36	-49.78
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007931370	0	32	-1.0	-51.31	301.10	4.37	-46.94
CC1=CC(C)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(C)=C1F	REAL300007931371	0	37	-1.0	-42.62	295.39	5.94	-36.68
COC1=CC=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1OC	REAL300007931372	0	36	-1.0	-48.96	302.78	3.76	-45.20
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007931373	0	41	-1.0	-46.81	331.26	4.62	-42.19
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931374	0	40	-1.0	-48.48	324.19	4.29	-44.19
CCCCN1C=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(C)=N1	REAL300007931375	0	40	-1.0	-50.24	331.43	4.48	-45.76
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007931376	0	32	-1.0	-46.79	288.17	3.37	-43.42
CC1=CC(C)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1Br	REAL300007931377	0	34	-1.0	-50.48	301.96	5.89	-44.59
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007931378	0	34	-1.0	-40.86	315.76	4.98	-35.88
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007931379	0	38	-1.0	-43.02	319.60	4.24	-38.78
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931380	0	46	-1.0	-47.26	359.71	7.78	-39.48
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007931381	0	34	-1.0	-41.10	320.95	5.80	-35.30
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007931382	0	38	-1.0	-45.75	323.72	4.57	-41.18
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007931383	0	39	-1.0	-53.81	340.72	6.76	-47.05
COC1=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007931384	0	37	-1.0	-57.69	314.14	5.12	-52.57
CC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007931385	0	33	-1.0	-40.34	299.85	3.61	-36.73
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007931386	0	31	-1.0	-40.06	294.90	4.95	-35.11
CCCC(=O)C1=CC=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931387	0	39	-1.0	-48.61	334.02	5.90	-42.71
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007931388	0	39	-1.0	-51.86	315.94	6.90	-44.96
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007931389	0	34	-1.0	-49.62	309.85	4.86	-44.76
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=NOC2=C1COCC2	REAL300007931390	0	35	-1.0	-47.39	300.70	2.25	-45.14
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931391	0	38	-1.0	-42.63	345.63	4.64	-37.99
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007931392	0	28	-1.0	-54.35	269.23	3.99	-50.36
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007931393	0	38	-1.0	-46.62	312.51	4.51	-42.11
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007931394	0	42	-1.0	-50.97	340.65	2.77	-48.20
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007931395	0	34	-1.0	-44.23	302.63	5.40	-38.83
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007931396	0	32	-1.0	-45.20	288.18	3.37	-41.83
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007931397	0	43	-1.0	-51.22	344.38	6.60	-44.62
CC1=CC(C)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=NC=CC=C12	REAL300007931398	0	39	-1.0	-55.20	315.65	6.03	-49.17
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007931399	0	36	-1.0	-50.91	304.10	4.00	-46.91
CCOCC1=CC=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931400	0	38	-1.0	-44.77	326.66	4.61	-40.16
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007931401	0	31	-1.0	-50.87	307.78	5.85	-45.02
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007931402	0	38	-1.0	-47.28	325.87	5.06	-42.22
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007931403	0	41	-1.0	-49.73	334.90	4.80	-44.93
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007931404	0	39	-1.0	-44.56	337.60	6.65	-37.91
CC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CC(C)=C1Br	REAL300007931405	0	34	-1.0	-48.26	306.21	5.60	-42.66
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007931406	0	31	-1.0	-50.87	307.78	5.85	-45.02
CC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=CC=CC=C12	REAL300007931407	0	37	-1.0	-58.14	306.06	6.81	-51.33
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007931408	0	38	-1.0	-59.17	324.58	5.02	-54.15
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007931409	0	32	-1.0	-42.84	300.75	5.65	-37.19
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007931410	0	32	-1.0	-43.54	302.12	5.61	-37.93
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007931411	0	30	-1.0	-52.91	279.31	3.20	-49.71
CC1=NC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007931412	0	37	-1.0	-50.25	325.58	2.86	-47.39
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007931413	0	45	-1.0	-42.38	325.97	6.68	-35.70
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCCCS(C)(=O)=O	REAL300007931414	0	36	-1.0	-53.59	318.12	0.70	-52.89
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007931415	0	32	-1.0	-50.15	295.48	2.91	-47.24
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007931416	0	38	-1.0	-42.03	331.41	6.75	-35.28
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007931417	0	50	-1.0	-45.75	378.57	7.97	-37.78
COC1=CC=C(C=C(C)S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931418	0	39	-1.0	-45.20	326.56	4.90	-40.30
COC1=CSC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1OC	REAL300007931419	0	33	-1.0	-41.82	300.08	1.87	-39.95
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007931420	0	39	-1.0	-44.15	322.10	5.51	-38.64
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007931421	0	32	-1.0	-42.92	293.18	4.63	-38.29
COC1=CC(F)=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(F)=C1	REAL300007931422	0	32	-1.0	-52.83	286.18	3.43	-49.40
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007931423	0	32	-1.0	-47.38	294.40	3.44	-43.94
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007931424	0	37	-1.0	-42.91	326.42	4.33	-38.58
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931425	0	41	-1.0	-47.46	338.95	6.10	-41.36
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007931426	0	39	-1.0	-51.68	338.79	6.72	-44.96
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007931427	0	34	-1.0	-62.59	286.32	5.64	-56.95
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007931428	0	29	-1.0	-51.03	288.50	2.81	-48.22
C=C(C)COC1=CC=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931429	0	39	-1.0	-45.18	332.60	5.42	-39.76
CCN1C=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(C2CC2)=N1	REAL300007931430	0	38	-1.0	-46.19	309.29	4.15	-42.04
CC1=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=NSN=C2C=C1	REAL300007931431	0	32	-1.0	-56.41	283.15	3.06	-53.35
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007931432	0	34	-1.0	-49.75	311.01	6.58	-43.17
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007931433	0	38	-1.0	-44.48	338.61	7.82	-36.66
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007931434	0	27	-1.0	-51.44	275.95	1.88	-49.56
CCC1=CC(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=CC=C1Br	REAL300007931435	0	34	-1.0	-42.08	308.47	5.74	-36.34
CC1=NN(C2CCCC2)C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931436	0	41	-1.0	-45.07	334.45	5.05	-40.02
COCCC1=CC=C(OC)C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931437	0	42	-1.0	-44.84	347.60	4.15	-40.69
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007931438	0	34	-1.0	-48.52	297.53	6.37	-42.15
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=C2COCCC2=NN1C	REAL300007931439	0	36	-1.0	-46.51	298.51	1.60	-44.91
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007931440	0	34	-1.0	-45.36	313.76	3.62	-41.74
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007931441	0	43	-1.0	-45.21	351.32	4.25	-40.96
COC1=NC=C(Cl)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931442	0	31	-1.0	-41.76	285.68	1.52	-40.24
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007931443	0	38	-1.0	-51.93	309.73	1.67	-50.26
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007931444	0	33	-1.0	-46.03	300.97	5.78	-40.25
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(C(C)(C)C)C=N1	REAL300007931445	0	39	-1.0	-51.20	321.67	4.19	-47.01
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007931446	0	35	-1.0	-48.61	303.78	5.07	-43.54
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C1	REAL300007931447	0	42	-1.0	-50.01	357.18	7.37	-42.64
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N1CC=C(Br)CC1	REAL300007931448	0	31	-1.0	-48.40	280.36	3.55	-44.85
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)N(C)C1CCS(=O)(=O)C1	REAL300007931449	0	36	-1.0	-49.74	306.28	-0.36	-50.10
CC(C)C1=CC=C(COC2=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C=C2)C=C1	REAL300007931450	0	51	-1.0	-44.52	420.41	9.00	-35.52
COC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C(C(F)F)=C1	REAL300007931451	0	35	-1.0	-52.92	299.70	4.26	-48.66
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-]	REAL300007931452	0	34	-1.0	-49.06	307.60	2.07	-46.99
CC1=CC=C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])C2=NC=CC=C12	REAL300007931453	0	36	-1.0	-53.66	299.71	5.42	-48.24
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007931454	0	35	-1.0	-51.63	318.76	4.81	-46.82
CC1=CC=C(OC(C)C)C(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])=C1	REAL300007931455	0	41	-1.0	-46.64	331.80	5.91	-40.73
CS(=O)(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300007931456	0	32	-1.0	-55.10	276.04	4.53	-50.57
CCS(=O)(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300007931457	0	35	-1.0	-55.38	297.07	5.34	-50.04
CCCCS(=O)(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300007931458	0	41	-1.0	-55.45	340.08	6.91	-48.54
O=C([O-])C1(NS(=O)(=O)C2CC2)CCC2=CC(Br)=CC=C2C1	REAL300007931459	0	36	-1.0	-39.75	305.47	5.88	-33.87
COCCS(=O)(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300007931460	0	39	-1.0	-53.01	330.74	4.42	-48.59
O=C([O-])C1(NS(=O)(=O)CC2CC2)CCC2=CC(Br)=CC=C2C1	REAL300007931461	0	39	-1.0	-56.27	328.66	6.93	-49.34
C=CCCS(=O)(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300007931462	0	39	-1.0	-55.01	331.45	6.69	-48.32
O=C([O-])C1(NS(=O)(=O)CCCF)CCC2=CC(Br)=CC=C2C1	REAL300007931463	0	38	-1.0	-56.15	325.17	6.27	-49.88
C=C(C)CS(=O)(=O)NC1(C(=O)[O-])CCC2=CC(Br)=CC=C2C1	REAL300007931464	0	39	-1.0	-55.42	331.03	6.61	-48.81
CC1(S(=O)(=O)NC2(C(=O)[O-])CCC3=CC(Br)=CC=C3C2)CC1	REAL300007931465	0	39	-1.0	-57.71	322.75	6.83	-50.88
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(OC)=C1	REAL300007931466	0	43	-1.0	-52.01	367.97	4.46	-47.55
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300007931467	0	43	-1.0	-56.93	368.02	4.45	-52.48
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(OC)=C1	REAL300007931468	0	46	-1.0	-60.45	384.84	5.43	-55.02
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(OC)=C1	REAL300007931469	0	47	-1.0	-59.68	398.82	4.37	-55.31
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(OC)=C1	REAL300007931470	0	46	-1.0	-56.26	383.16	5.00	-51.26
COC1=CC=C([C@H](C)NS(=O)(=O)C2=C(C(=O)[O-])SC=C2)C(OC)=C1	REAL300007931471	0	40	-1.0	-47.94	353.62	4.31	-43.63
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300007931472	0	43	-1.0	-56.93	368.02	4.45	-52.48
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C(OC)=C1	REAL300007931473	0	43	-1.0	-52.01	367.97	4.46	-47.55
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(OC)=C1	REAL300007931474	0	43	-1.0	-51.22	358.24	5.31	-45.91
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CNC(C(=O)[O-])=C2)C(OC)=C1	REAL300007931475	0	41	-1.0	-53.58	357.32	2.18	-51.40
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C(OC)=C1	REAL300007931476	0	43	-1.0	-54.41	373.48	2.59	-51.82
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C(OC)=C1	REAL300007931477	0	40	-1.0	-51.22	360.72	3.59	-47.63
COC1=CC=C([C@H](C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])C(OC)=C1	REAL300007931478	0	40	-1.0	-54.54	345.31	1.53	-53.01
COC1=CC=C([C@H](C)NS(=O)(=O)N2CCCC(C(=O)[O-])C2)C(OC)=C1	REAL300007931479	0	48	-1.0	-51.68	384.51	3.53	-48.15
COC1=CC=C([C@H](C)NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(OC)=C1	REAL300007931480	0	48	-1.0	-52.73	384.93	3.57	-49.16
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C(OC)=C1	REAL300007931481	0	43	-1.0	-51.22	358.24	5.31	-45.91
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])C(OC)=C1	REAL300007931482	0	43	-1.0	-44.66	374.48	5.84	-38.82
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(OC)=C1	REAL300007931483	0	40	-1.0	-53.96	354.00	2.88	-51.08
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)C(OC)=C1	REAL300007931484	0	43	-1.0	-52.96	372.22	3.34	-49.62
COC1=CC=C([C@H](C)NS(=O)(=O)CCCC(=O)[O-])C(OC)=C1	REAL300007931485	0	42	-1.0	-53.06	353.55	3.09	-49.97
COC1=CC=C([C@H](C)NS(=O)(=O)N2CCCC2C(=O)[O-])C(OC)=C1	REAL300007931486	0	45	-1.0	-60.12	366.37	3.56	-56.56
COC1=CC=C([C@H](C)NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C(OC)=C1	REAL300007931487	0	46	-1.0	-58.13	391.31	5.18	-52.95
COC1=CC=C([C@H](C)NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C(OC)=C1	REAL300007931488	0	48	-1.0	-52.73	384.93	3.57	-49.16
COC1=CC=C([C@H](C)NS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300007931489	0	46	-1.0	-60.74	391.34	5.17	-55.57
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C(OC)=C1	REAL300007931490	0	40	-1.0	-53.96	354.00	2.88	-51.08
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C(OC)=C1	REAL300007931491	0	47	-1.0	-51.21	399.10	4.73	-46.48
COC1=CC=C([C@H](C)NS(=O)(=O)CCCC(=O)[O-])C(OC)=C1	REAL300007931492	0	42	-1.0	-53.06	353.55	3.09	-49.97
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C(OC)=C1	REAL300007931493	0	40	-1.0	-52.27	361.85	3.50	-48.77
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C(OC)=C1	REAL300007931494	0	49	-1.0	-61.90	401.34	5.80	-56.10
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])C(OC)=C1	REAL300007931495	0	46	-1.0	-56.13	385.97	5.58	-50.55
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C(OC)=C1	REAL300007931496	0	40	-1.0	-53.61	359.94	3.50	-50.11
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C(OC)=C1	REAL300007931497	0	46	-1.0	-51.71	379.21	5.30	-46.41
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C(OC)=C1	REAL300007931498	0	46	-1.0	-51.52	390.18	5.23	-46.29
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C(OC)=C1	REAL300007931499	0	40	-1.0	-52.31	354.24	2.61	-49.70
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(OC)=C1	REAL300007931500	0	46	-1.0	-52.35	390.19	5.22	-47.13
COC1=CC=C([C@H](C)NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C(OC)=C1	REAL300007931501	0	43	-1.0	-58.60	374.56	3.66	-54.94
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300007931502	0	42	-1.0	-50.99	363.22	2.65	-48.34
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CSN=C2C(=O)[O-])C(OC)=C1	REAL300007931503	0	39	-1.0	-51.97	347.18	2.75	-49.22
COC1=CC=C([C@H](C)NS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C(OC)=C1	REAL300007931504	0	39	-1.0	-56.78	351.55	2.16	-54.62
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C(OC)=C1	REAL300007931505	0	42	-1.0	-54.62	354.89	3.55	-51.07
COC1=CC=C([C@H](C)NS(=O)(=O)CCCCCC(=O)[O-])C(OC)=C1	REAL300007931506	0	48	-1.0	-54.10	396.55	4.65	-49.45
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C(OC)=C1	REAL300007931507	0	42	-1.0	-54.32	363.89	2.64	-51.68
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300007931508	0	43	-1.0	-51.27	384.75	4.96	-46.31
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C(OC)=C1	REAL300007931509	0	47	-1.0	-60.89	395.27	4.51	-56.38
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C(OC)=C1	REAL300007931510	0	46	-1.0	-51.19	383.31	5.01	-46.18
COC1=CC=C([C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-])C(OC)=C1	REAL300007931511	0	44	-1.0	-50.19	369.52	2.75	-47.44
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)C(OC)=C1	REAL300007931512	0	43	-1.0	-51.27	384.75	4.96	-46.31
COC1=CC=C([C@H](C)NS(=O)(=O)C2=C(C(=O)[O-])SC=C2C)C(OC)=C1	REAL300007931513	0	43	-1.0	-55.33	364.87	4.78	-50.55
COC1=CC=C([C@H](C)NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C(OC)=C1	REAL300007931514	0	46	-1.0	-58.13	391.31	5.18	-52.95
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C(OC)=C1	REAL300007931515	0	47	-1.0	-59.68	398.82	4.37	-55.31
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C(OC)=C1	REAL300007931516	0	46	-1.0	-56.26	383.16	5.00	-51.26
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C(OC)=C1	REAL300007931517	0	46	-1.0	-60.45	384.84	5.43	-55.02
COC1=CC=C([C@H](C)NS(=O)(=O)CC2(CC(=O)[O-])CC2)C(OC)=C1	REAL300007931518	0	46	-1.0	-50.98	377.77	4.36	-46.62
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C(OC)=C1	REAL300007931519	0	46	-1.0	-52.35	390.19	5.22	-47.13
CCC1=C(S(=O)(=O)N[C@@H](C)C2=CC=C(OC)C=C2OC)C=C(C(=O)[O-])O1	REAL300007931520	0	46	-1.0	-57.80	394.72	4.44	-53.36
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)C(OC)=C1	REAL300007931521	0	45	-1.0	-50.63	379.54	3.17	-47.46
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C(OC)=C1	REAL300007931522	0	47	-1.0	-52.85	398.88	4.38	-48.47
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(OC)=C2)C(OC)=C1	REAL300007931523	0	47	-1.0	-57.16	395.27	4.52	-52.64
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C(OC)=C1	REAL300007931524	0	46	-1.0	-53.01	395.65	5.28	-47.73
COC1=CC=C([C@H](C)NS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(OC)=C1	REAL300007931525	0	43	-1.0	-55.67	359.20	2.79	-52.88
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)C(OC)=C1	REAL300007931526	0	43	-1.0	-55.06	371.95	3.47	-51.59
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)C(OC)=C1	REAL300007931527	0	43	-1.0	-54.81	380.50	4.84	-49.97
COC1=CC=C([C@H](C)NS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C(OC)=C1	REAL300007931528	0	40	-1.0	-55.64	346.41	3.36	-52.28
COC1=CC=C([C@H](C)NS(=O)(=O)C2(C(=O)[O-])CCC2)C(OC)=C1	REAL300007931529	0	43	-1.0	-47.09	350.19	3.61	-43.48
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(OC)=CC=C2C(=O)[O-])C(OC)=C1	REAL300007931530	0	47	-1.0	-49.87	387.59	4.64	-45.23
COC1=CC=C([C@H](C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])C(OC)=C1	REAL300007931531	0	40	-1.0	-54.54	345.31	1.53	-53.01
COC1=CC=C([C@H](C)NS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C(OC)=C1	REAL300007931532	0	43	-1.0	-55.67	359.20	2.79	-52.88
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C(OC)=C1	REAL300007931533	0	42	-1.0	-50.79	365.37	2.63	-48.16
COC1=CC=C([C@H](C)NS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C(OC)=C1	REAL300007931534	0	46	-1.0	-58.50	381.06	5.61	-52.89
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C(OC)=C1	REAL300007931535	0	40	-1.0	-49.48	368.89	3.15	-46.33
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=C(OC)C=C2C(=O)[O-])C(OC)=C1	REAL300007931536	0	47	-1.0	-52.10	387.82	4.63	-47.47
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C(OC)=C1	REAL300007931537	0	42	-1.0	-57.31	364.15	2.67	-54.64
COC1=CC=C([C@H](C)NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(OC)=C1	REAL300007931538	0	40	-1.0	-47.24	352.72	0.73	-46.51
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C(OC)=C1	REAL300007931539	0	43	-1.0	-58.97	370.40	2.24	-56.73
COC1=CC=C([C@H](C)NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(OC)=C1	REAL300007931540	0	43	-1.0	-53.80	355.11	3.47	-50.33
COC1=CC=C([C@H](C)NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(OC)=C1	REAL300007931541	0	46	-1.0	-54.94	374.55	4.14	-50.80
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)C(OC)=C1	REAL300007931542	0	43	-1.0	-52.28	378.77	4.17	-48.11
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(OC)=C1	REAL300007931543	0	46	-1.0	-58.15	381.26	5.71	-52.44
COC1=CC=C([C@H](C)NS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C(OC)=C1	REAL300007931544	0	43	-1.0	-55.58	364.21	3.79	-51.79
COC1=CC=C([C@H](C)NS(=O)(=O)N2CCCCC2C(=O)[O-])C(OC)=C1	REAL300007931545	0	48	-1.0	-51.46	377.33	4.58	-46.88
COC1=CC=C([C@H](C)NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C(OC)=C1	REAL300007931546	0	40	-1.0	-47.24	352.72	0.73	-46.51
COC1=CC=C([C@H](C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C(OC)=C1	REAL300007931547	0	45	-1.0	-60.13	366.35	3.56	-56.57
COC1=CC=C([C@H](C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])C(OC)=C1	REAL300007931548	0	40	-1.0	-54.54	345.31	1.53	-53.01
COC1=CC=C([C@H](C)NS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C(OC)=C1	REAL300007931549	0	43	-1.0	-57.68	347.86	4.20	-53.48
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)C(OC)=C1	REAL300007931550	0	45	-1.0	-54.33	380.45	3.21	-51.12
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C(OC)=C1	REAL300007931551	0	46	-1.0	-58.15	381.26	5.71	-52.44
COC1=CC=C([C@H](C)NS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C(OC)=C1	REAL300007931552	0	42	-1.0	-45.57	353.81	3.52	-42.05
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1	REAL300007931553	0	37	-1.0	-49.01	299.16	4.37	-44.64
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931554	0	37	-1.0	-53.47	299.18	4.36	-49.11
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931555	0	40	-1.0	-51.68	313.04	5.06	-46.62
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931556	0	41	-1.0	-55.98	320.64	4.23	-51.75
CC1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1C(=O)[O-]	REAL300007931557	0	40	-1.0	-52.95	314.96	4.90	-48.05
O=C([O-])C1=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=CS1	REAL300007931558	0	34	-1.0	-59.89	291.90	4.24	-55.65
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931559	0	37	-1.0	-53.47	299.18	4.36	-49.11
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1	REAL300007931560	0	37	-1.0	-49.01	299.16	4.37	-44.64
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931561	0	37	-1.0	-65.42	291.86	5.49	-59.93
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=CN1	REAL300007931562	0	35	-1.0	-51.61	290.54	2.19	-49.42
O=C([O-])CN1C=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=N1	REAL300007931563	0	37	-1.0	-49.59	311.70	2.73	-46.86
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)S1	REAL300007931564	0	34	-1.0	-46.88	299.33	3.74	-43.14
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931565	0	34	-1.0	-52.55	272.67	1.24	-51.31
O=C([O-])C1CCCN(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C1	REAL300007931566	0	42	-1.0	-49.43	325.40	3.79	-45.64
O=C([O-])C1CCN(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)CC1	REAL300007931567	0	42	-1.0	-46.14	323.51	3.62	-42.52
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931568	0	37	-1.0	-65.42	291.86	5.49	-59.93
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931569	0	37	-1.0	-59.63	301.57	5.42	-54.21
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)O1	REAL300007931570	0	34	-1.0	-49.25	279.57	2.25	-47.00
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)O1	REAL300007931571	0	37	-1.0	-50.13	304.00	3.25	-46.88
O=C([O-])C1CCCN1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931572	0	39	-1.0	-59.59	300.39	3.36	-56.23
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1	REAL300007931573	0	40	-1.0	-55.85	322.70	5.11	-50.74
O=C([O-])C1CCN(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)CC1	REAL300007931574	0	42	-1.0	-46.14	323.51	3.62	-42.52
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931575	0	40	-1.0	-58.02	322.61	5.13	-52.89
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)O1	REAL300007931576	0	34	-1.0	-49.25	279.57	2.25	-47.00
O=C([O-])COC1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1	REAL300007931577	0	41	-1.0	-47.65	338.92	4.85	-42.80
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931578	0	41	-1.0	-46.51	332.07	5.40	-41.11
O=C([O-])C1=CSC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931579	0	34	-1.0	-49.16	300.25	3.63	-45.53
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1C	REAL300007931580	0	43	-1.0	-56.74	324.68	5.11	-51.63
CC1=CC=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1C(=O)[O-]	REAL300007931581	0	40	-1.0	-72.69	310.39	5.10	-67.59
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931582	0	44	-1.0	-52.99	362.20	4.33	-48.66
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=CS1	REAL300007931583	0	34	-1.0	-51.58	294.34	3.46	-48.12
O=C([O-])C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931584	0	40	-1.0	-57.09	322.41	5.85	-51.24
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931585	0	40	-1.0	-53.27	311.36	5.13	-48.14
O=C([O-])C1=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C2=CC=CC=C2S1	REAL300007931586	0	40	-1.0	-64.54	318.17	6.72	-57.82
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1	REAL300007931587	0	40	-1.0	-48.17	330.02	5.34	-42.83
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1[N+](=O)[O-]	REAL300007931588	0	42	-1.0	-41.99	345.38	5.65	-36.34
O=C([O-])C1=COC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931589	0	34	-1.0	-49.49	287.32	2.55	-46.94
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931590	0	40	-1.0	-52.12	321.28	5.15	-46.97
CC1=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C(C(=O)[O-])O1	REAL300007931591	0	37	-1.0	-50.93	305.18	3.46	-47.47
O=C([O-])C1=CN=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931592	0	36	-1.0	-47.20	294.10	2.57	-44.63
O=C([O-])C1=NSC=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931593	0	33	-1.0	-63.76	287.56	2.76	-61.00
O=C([O-])C1=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)SC=N1	REAL300007931594	0	33	-1.0	-53.83	284.69	2.08	-51.75
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931595	0	36	-1.0	-67.69	295.05	3.83	-63.86
O=C([O-])CCCCCS(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931596	0	42	-1.0	-52.38	336.97	4.78	-47.60
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=N1	REAL300007931597	0	36	-1.0	-50.97	295.46	2.55	-48.42
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931598	0	37	-1.0	-47.05	323.87	5.12	-41.93
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931599	0	37	-1.0	-47.07	328.43	5.23	-41.84
COC1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1C(=O)[O-]	REAL300007931600	0	41	-1.0	-59.02	326.21	4.43	-54.59
CC1=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=CC=C1C(=O)[O-]	REAL300007931601	0	40	-1.0	-49.07	327.91	5.20	-43.87
O=C([O-])C1=NC=CC2=C(S(=O)(=O)N3CCO[C@@H]4CCC[C@@H]43)C=CC=C21	REAL300007931602	0	42	-1.0	-52.15	334.68	4.69	-47.46
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931603	0	44	-1.0	-52.99	362.20	4.33	-48.66
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931604	0	37	-1.0	-47.05	323.87	5.12	-41.93
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931605	0	37	-1.0	-54.86	284.76	3.97	-50.89
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931606	0	40	-1.0	-50.05	321.76	5.01	-45.04
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)N3CCO[C@@H]4CCC[C@@H]43)C=C21	REAL300007931607	0	43	-1.0	-50.55	354.08	5.95	-44.60
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1	REAL300007931608	0	40	-1.0	-55.85	322.70	5.11	-50.74
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931609	0	41	-1.0	-55.98	320.64	4.23	-51.75
CC1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1C(=O)[O-]	REAL300007931610	0	40	-1.0	-52.95	314.96	4.90	-48.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931611	0	40	-1.0	-51.68	313.04	5.06	-46.62
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931612	0	41	-1.0	-46.77	326.71	4.58	-42.19
O=C([O-])CC1(CS(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)CC1	REAL300007931613	0	40	-1.0	-55.39	317.07	4.38	-51.01
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931614	0	40	-1.0	-52.12	321.28	5.15	-46.97
COC1=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)SC(C(=O)[O-])=C1	REAL300007931615	0	38	-1.0	-47.19	327.45	3.07	-44.12
O=C([O-])C1CC2=CC(S(=O)(=O)N3CCO[C@@H]4CCC[C@@H]43)=CC=C2O1	REAL300007931616	0	42	-1.0	-49.34	343.98	5.27	-44.07
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1C(F)(F)F	REAL300007931617	0	40	-1.0	-46.60	337.97	5.37	-41.23
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CCO[C@@H]4CCC[C@@H]43)C=C2)CC1	REAL300007931618	0	44	-1.0	-50.79	344.02	6.19	-44.60
CCC1=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C(C(=O)[O-])O1	REAL300007931619	0	40	-1.0	-49.01	320.43	3.90	-45.11
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931620	0	39	-1.0	-57.70	317.00	5.94	-51.76
O=C([O-])C1=CC2=CC(S(=O)(=O)N3CCO[C@@H]4CCC[C@@H]43)=CC=C2S1	REAL300007931621	0	40	-1.0	-50.70	337.46	5.84	-44.86
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931622	0	39	-1.0	-49.78	324.64	6.22	-43.56
CC1=NC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1C(=O)[O-]	REAL300007931623	0	39	-1.0	-46.89	311.17	3.04	-43.85
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931624	0	41	-1.0	-49.13	320.48	4.24	-44.89
COC1=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=CC=C1C(=O)[O-]	REAL300007931625	0	41	-1.0	-53.23	335.11	4.65	-48.58
COC1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C(CC(=O)[O-])=C1	REAL300007931626	0	44	-1.0	-62.58	340.16	4.64	-57.94
O=C([O-])CC1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1F	REAL300007931627	0	40	-1.0	-50.87	326.52	5.18	-45.69
O=C([O-])C1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931628	0	40	-1.0	-46.47	338.30	5.33	-41.14
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1	REAL300007931629	0	46	-1.0	-48.88	361.01	6.20	-42.68
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931630	0	37	-1.0	-52.62	287.42	2.54	-50.08
O=C([O-])C1=CC=CC2=C(S(=O)(=O)N3CCO[C@@H]4CCC[C@@H]43)C=CC=C12	REAL300007931631	0	43	-1.0	-50.53	338.33	6.45	-44.08
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931632	0	37	-1.0	-50.52	310.66	3.51	-47.01
O=C([O-])C1=CC=C(Br)C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931633	0	37	-1.0	-59.69	306.15	5.51	-54.18
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=CC=C1Cl	REAL300007931634	0	37	-1.0	-51.17	311.44	4.76	-46.41
O=C([O-])C1=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)OC=C1	REAL300007931635	0	34	-1.0	-60.88	280.53	2.77	-58.11
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931636	0	41	-1.0	-64.68	314.18	4.22	-60.46
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1OC	REAL300007931637	0	49	-1.0	-50.46	381.25	5.58	-44.88
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931638	0	34	-1.0	-52.55	272.67	1.24	-51.31
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931639	0	37	-1.0	-52.62	287.42	2.54	-50.08
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931641	0	44	-1.0	-47.52	340.87	3.95	-43.57
O=C([O-])C1=CC=NC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931642	0	36	-1.0	-48.57	295.39	2.50	-46.07
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931643	0	40	-1.0	-57.83	311.81	5.55	-52.28
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931644	0	34	-1.0	-46.34	299.07	3.01	-43.33
O=C([O-])C1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C2=CC=CC=C12	REAL300007931645	0	43	-1.0	-51.45	335.53	6.75	-44.70
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931646	0	44	-1.0	-55.48	341.33	5.12	-50.36
COC1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C(C(=O)[O-])=C1	REAL300007931647	0	41	-1.0	-66.00	319.62	4.74	-61.26
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=CC=N1	REAL300007931648	0	36	-1.0	-53.60	303.90	2.80	-50.80
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=NN1	REAL300007931649	0	34	-1.0	-44.98	282.82	0.62	-44.36
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931650	0	37	-1.0	-55.75	300.97	2.00	-53.75
O=C([O-])C1=CC2=CC=C(S(=O)(=O)N3CCO[C@@H]4CCC[C@@H]43)C=C2C=C1	REAL300007931651	0	43	-1.0	-51.25	353.74	6.83	-44.42
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C1	REAL300007931652	0	40	-1.0	-53.46	299.42	3.84	-49.62
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)S1	REAL300007931653	0	37	-1.0	-50.38	310.45	4.10	-46.28
O=C([O-])C1=CC2=CC=CC=C2C=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931654	0	43	-1.0	-68.78	341.79	7.73	-61.05
O=C([O-])C1=CC=C(C(F)(F)F)C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C1	REAL300007931655	0	40	-1.0	-44.73	324.50	5.59	-39.14
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931656	0	40	-1.0	-61.70	310.57	5.43	-56.27
O=C([O-])C1=CC2=C(S1)SC(S(=O)(=O)N1CCO[C@@H]3CCC[C@@H]31)=C2	REAL300007931657	0	37	-1.0	-48.14	328.89	4.96	-43.18
O=C([O-])C1=NC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=C2C=CC=CN21	REAL300007931658	0	40	-1.0	-68.50	325.52	3.01	-65.49
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CCO[C@@H]4CCC[C@@H]43)=C2C=C1	REAL300007931659	0	40	-1.0	-45.87	327.25	5.58	-40.29
O=C([O-])C1CCCCN1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931660	0	42	-1.0	-54.44	304.46	4.27	-50.17
O=C([O-])C1=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=NN1	REAL300007931661	0	34	-1.0	-44.98	282.82	0.62	-44.36
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931662	0	39	-1.0	-59.65	298.22	3.28	-56.37
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931663	0	34	-1.0	-52.55	272.67	1.24	-51.31
O=C([O-])C1=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C(Cl)S1	REAL300007931664	0	34	-1.0	-53.27	308.57	4.84	-48.43
CC1=CC(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)=CN=C1C(=O)[O-]	REAL300007931665	0	39	-1.0	-50.64	319.74	3.36	-47.28
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931666	0	40	-1.0	-61.70	310.57	5.43	-56.27
CCOC1=CC=C(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C=C1C(=O)[O-]	REAL300007931667	0	44	-1.0	-59.48	348.07	5.34	-54.14
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CCO[C@@H]4CCC[C@@H]43)C=C2C1	REAL300007931668	0	44	-1.0	-48.88	344.07	6.23	-42.65
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21	REAL300007931669	0	36	-1.0	-56.83	293.24	3.76	-53.07
O=C([O-])C1=NC2=CC=C(S(=O)(=O)N3CCO[C@@H]4CCC[C@@H]43)C=C2C=C1	REAL300007931670	0	42	-1.0	-55.00	343.77	4.85	-50.15
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300007931671	0	42	-1.0	-50.65	346.50	5.40	-45.25
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300007931672	0	42	-1.0	-56.61	347.38	5.41	-51.20
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300007931673	0	45	-1.0	-58.80	365.28	6.28	-52.52
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300007931674	0	46	-1.0	-54.48	377.84	5.30	-49.18
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300007931675	0	45	-1.0	-51.85	361.84	5.98	-45.87
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])SC=C2)C=C1F	REAL300007931676	0	39	-1.0	-56.20	332.34	5.16	-51.04
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300007931677	0	42	-1.0	-56.61	347.38	5.41	-51.20
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300007931678	0	42	-1.0	-50.65	346.50	5.40	-45.25
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300007931679	0	42	-1.0	-59.37	337.53	6.24	-53.13
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CNC(C(=O)[O-])=C2)C=C1F	REAL300007931680	0	40	-1.0	-52.53	335.89	3.06	-49.47
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)C=C1F	REAL300007931681	0	42	-1.0	-53.66	351.55	3.45	-50.21
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])S2)C=C1F	REAL300007931682	0	39	-1.0	-49.27	339.65	4.65	-44.62
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])C=C1F	REAL300007931683	0	39	-1.0	-56.92	327.41	2.66	-54.26
COC1=CC=C(C(C)(C)NS(=O)(=O)N2CCCC(C(=O)[O-])C2)C=C1F	REAL300007931684	0	47	-1.0	-54.46	360.89	4.58	-49.88
COC1=CC=C(C(C)(C)NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1F	REAL300007931685	0	47	-1.0	-53.59	363.17	5.09	-48.50
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC=C2C(=O)[O-])C=C1F	REAL300007931686	0	42	-1.0	-59.37	337.53	6.24	-53.13
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C=C1F	REAL300007931687	0	39	-1.0	-49.87	335.10	4.04	-45.83
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)O2)C=C1F	REAL300007931688	0	42	-1.0	-52.48	354.99	4.46	-48.02
COC1=CC=C(C(C)(C)NS(=O)(=O)CCCC(=O)[O-])C=C1F	REAL300007931689	0	41	-1.0	-53.66	335.25	4.21	-49.45
COC1=CC=C(C(C)(C)NS(=O)(=O)N2CCCC2C(=O)[O-])C=C1F	REAL300007931690	0	44	-1.0	-58.92	344.90	4.85	-54.07
COC1=CC=C(C(C)(C)NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300007931691	0	45	-1.0	-62.70	373.14	6.31	-56.39
COC1=CC=C(C(C)(C)NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C=C1F	REAL300007931692	0	47	-1.0	-53.59	363.17	5.09	-48.50
COC1=CC=C(C(C)(C)NS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300007931693	0	45	-1.0	-61.16	373.02	6.30	-54.86
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])O2)C=C1F	REAL300007931694	0	39	-1.0	-49.87	335.10	4.04	-45.83
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300007931695	0	46	-1.0	-51.02	378.57	5.68	-45.34
COC1=CC=C(C(C)(C)NS(=O)(=O)CCCC(=O)[O-])C=C1F	REAL300007931696	0	41	-1.0	-53.66	335.25	4.21	-49.45
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CS2)C=C1F	REAL300007931697	0	39	-1.0	-53.28	340.67	4.53	-48.75
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC(C)=C2C)C=C1F	REAL300007931698	0	48	-1.0	-56.98	383.37	6.90	-50.08
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC(C)=C2C(=O)[O-])C=C1F	REAL300007931699	0	45	-1.0	-63.83	364.52	6.41	-57.42
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CSC(C(=O)[O-])=C2)C=C1F	REAL300007931700	0	39	-1.0	-52.98	338.25	4.49	-48.49
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2C)C=C1F	REAL300007931701	0	45	-1.0	-55.84	359.51	6.05	-49.79
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)C=C1F	REAL300007931702	0	45	-1.0	-50.82	369.67	6.17	-44.65
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CO2)C=C1F	REAL300007931703	0	39	-1.0	-51.63	335.19	3.77	-47.86
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C=C1F	REAL300007931704	0	45	-1.0	-55.90	369.54	6.18	-49.72
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C)OC(C(=O)[O-])=C2)C=C1F	REAL300007931705	0	42	-1.0	-54.05	352.90	4.61	-49.44
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)C=C1F	REAL300007931706	0	41	-1.0	-49.39	340.78	3.57	-45.82
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CSN=C2C(=O)[O-])C=C1F	REAL300007931707	0	38	-1.0	-57.90	326.51	3.61	-54.29
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])N=CS2)C=C1F	REAL300007931708	0	38	-1.0	-61.87	326.61	3.04	-58.83
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CN=C2C(=O)[O-])C=C1F	REAL300007931709	0	41	-1.0	-61.05	334.22	4.37	-56.68
COC1=CC=C(C(C)(C)NS(=O)(=O)CCCCCC(=O)[O-])C=C1F	REAL300007931710	0	47	-1.0	-55.21	378.24	5.77	-49.44
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)C=C1F	REAL300007931711	0	41	-1.0	-52.24	343.49	3.58	-48.66
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1F	REAL300007931712	0	46	-1.0	-58.05	373.86	5.47	-52.58
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300007931713	0	45	-1.0	-50.42	361.44	5.93	-44.49
COC1=CC=C(C(C)(C)NS(=O)(=O)N(C)CCC(=O)[O-])C=C1F	REAL300007931714	0	43	-1.0	-47.64	349.59	4.19	-43.45
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])SC=C2C)C=C1F	REAL300007931715	0	42	-1.0	-54.34	345.23	5.91	-48.43
COC1=CC=C(C(C)(C)NS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)C=C1F	REAL300007931716	0	45	-1.0	-62.70	373.14	6.31	-56.39
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2OC)C=C1F	REAL300007931717	0	46	-1.0	-54.48	377.84	5.30	-49.18
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300007931718	0	45	-1.0	-51.85	361.84	5.98	-45.87
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C)C=C1F	REAL300007931719	0	45	-1.0	-58.80	365.28	6.28	-52.52
COC1=CC=C(C(C)(C)NS(=O)(=O)CC2(CC(=O)[O-])CC2)C=C1F	REAL300007931720	0	45	-1.0	-49.40	359.94	5.47	-43.93
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)C=C1F	REAL300007931721	0	45	-1.0	-55.90	369.54	6.18	-49.72
CCC1=C(S(=O)(=O)NC(C)(C)C2=CC=C(OC)C(F)=C2)C=C(C(=O)[O-])O1	REAL300007931722	0	45	-1.0	-52.80	374.05	5.34	-47.46
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CN=C(C)C(C(=O)[O-])=C2)C=C1F	REAL300007931723	0	44	-1.0	-46.78	359.83	4.19	-42.59
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2OC)C=C1F	REAL300007931724	0	46	-1.0	-50.21	379.25	5.21	-45.00
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(C(=O)[O-])C(OC)=C2)C=C1F	REAL300007931725	0	46	-1.0	-55.91	373.74	5.47	-50.44
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)C=C1F	REAL300007931726	0	45	-1.0	-53.20	374.13	6.23	-46.97
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C=C1F	REAL300007931727	0	42	-1.0	-54.68	341.05	3.85	-50.83
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C)=C(C(=O)[O-])O2)C=C1F	REAL300007931728	0	42	-1.0	-55.00	354.73	4.59	-50.41
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])C=CO2)C=C1F	REAL300007931729	0	39	-1.0	-54.40	330.01	4.44	-49.96
COC1=CC=C(C(C)(C)NS(=O)(=O)C2(C(=O)[O-])CCC2)C=C1F	REAL300007931730	0	42	-1.0	-47.27	323.63	4.53	-42.74
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NC(C)(C)C2=CC=C(OC)C(F)=C2)=C1	REAL300007931731	0	46	-1.0	-57.43	366.90	5.55	-51.88
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])C=C1F	REAL300007931732	0	39	-1.0	-56.92	327.41	2.66	-54.26
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=C(C(=O)[O-])C=NN2C)C=C1F	REAL300007931733	0	42	-1.0	-54.68	341.05	3.85	-50.83
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)C=C1F	REAL300007931734	0	41	-1.0	-51.19	345.86	4.08	-47.11
COC1=CC=C(C(C)(C)NS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])C=C1F	REAL300007931735	0	45	-1.0	-63.23	361.82	6.73	-56.50
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)C=C1F	REAL300007931736	0	39	-1.0	-48.18	349.00	4.24	-43.94
COC1=CC=C(S(=O)(=O)NC(C)(C)C2=CC=C(OC)C(F)=C2)C(C(=O)[O-])=C1	REAL300007931737	0	46	-1.0	-60.35	366.88	5.53	-54.82
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)C=C1F	REAL300007931738	0	41	-1.0	-54.87	342.80	3.63	-51.24
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C=C1F	REAL300007931739	0	39	-1.0	-46.13	333.64	1.92	-44.21
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=NN2C)C=C1F	REAL300007931740	0	42	-1.0	-57.52	349.60	3.07	-54.45
COC1=CC=C(C(C)(C)NS(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C=C1F	REAL300007931741	0	42	-1.0	-58.63	339.47	4.68	-53.95
COC1=CC=C(C(C)(C)NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1F	REAL300007931742	0	45	-1.0	-59.77	352.25	5.12	-54.65
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC(C(=O)[O-])=C(C)S2)C=C1F	REAL300007931743	0	42	-1.0	-53.22	357.58	5.19	-48.03
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C=C1F	REAL300007931744	0	45	-1.0	-63.98	361.16	6.63	-57.35
COC1=CC=C(C(C)(C)NS(=O)(=O)C[C@@H]2C[C@H]2C(=O)[O-])C=C1F	REAL300007931745	0	42	-1.0	-57.99	345.88	4.91	-53.08
COC1=CC=C(C(C)(C)NS(=O)(=O)N2CCCCC2C(=O)[O-])C=C1F	REAL300007931746	0	47	-1.0	-51.78	360.57	6.12	-45.66
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=NNC(C(=O)[O-])=C2)C=C1F	REAL300007931747	0	39	-1.0	-46.13	333.64	1.92	-44.21
COC1=CC=C(C(C)(C)NS(=O)(=O)N2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007931748	0	44	-1.0	-59.77	347.15	4.40	-55.37
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=NNC=C2C(=O)[O-])C=C1F	REAL300007931749	0	39	-1.0	-56.92	327.41	2.66	-54.26
COC1=CC=C(C(C)(C)NS(=O)(=O)[C@H]2CC[C@H]2C(=O)[O-])C=C1F	REAL300007931750	0	42	-1.0	-64.28	329.27	5.30	-58.98
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CN=C(C(=O)[O-])C(C)=C2)C=C1F	REAL300007931751	0	44	-1.0	-53.85	361.14	4.21	-49.64
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])C=C1F	REAL300007931752	0	45	-1.0	-63.98	361.16	6.63	-57.35
COC1=CC=C(C(C)(C)NS(=O)(=O)C2=CN=CC=C2C(=O)[O-])C=C1F	REAL300007931753	0	41	-1.0	-52.57	334.23	4.49	-48.08
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)C=C1	REAL300007931754	0	39	-1.0	-55.70	348.97	6.80	-48.90
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)=C1	REAL300007931755	0	39	-1.0	-56.59	349.01	6.79	-49.80
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CCOC2=CC([N+](=O)[O-])=CC=C2C1	REAL300007931756	0	42	-1.0	-56.20	360.07	7.24	-48.96
CC1=CC=C(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)C=C1C(=O)[O-]	REAL300007931757	0	42	-1.0	-55.31	364.99	7.32	-47.99
O=C([O-])C1=C(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)C=CS1	REAL300007931758	0	36	-1.0	-55.86	325.35	6.15	-49.71
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)=C1	REAL300007931759	0	39	-1.0	-56.59	349.01	6.79	-49.80
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)C=C1	REAL300007931760	0	39	-1.0	-55.70	348.97	6.80	-48.90
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCOC2=CC([N+](=O)[O-])=CC=C2C1	REAL300007931761	0	39	-1.0	-60.10	331.01	7.56	-52.54
O=C([O-])C1=CC(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)=CN1	REAL300007931762	0	37	-1.0	-52.97	338.22	4.46	-48.51
O=C([O-])CN1C=C(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)C=N1	REAL300007931763	0	39	-1.0	-55.49	353.57	4.91	-50.58
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)S1	REAL300007931764	0	36	-1.0	-49.60	341.97	5.86	-43.74
O=C([O-])C1=CNN=C1S(=O)(=O)N1CCOC2=CC([N+](=O)[O-])=CC=C2C1	REAL300007931765	0	36	-1.0	-49.05	322.61	3.63	-45.42
O=C([O-])C1CCCN(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)C1	REAL300007931766	0	44	-1.0	-52.03	354.40	5.42	-46.61
O=C([O-])C1CCN(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)CC1	REAL300007931767	0	44	-1.0	-55.70	353.25	5.38	-50.32
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CCOC2=CC([N+](=O)[O-])=CC=C2C1	REAL300007931768	0	39	-1.0	-60.10	331.01	7.56	-52.54
O=C([O-])C1=CC=C(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)O1	REAL300007931769	0	36	-1.0	-50.07	334.46	5.13	-44.94
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)O1	REAL300007931770	0	39	-1.0	-50.44	354.30	5.66	-44.78
O=C([O-])CCCS(=O)(=O)N1CCOC2=CC([N+](=O)[O-])=CC=C2C1	REAL300007931771	0	38	-1.0	-52.83	335.01	5.44	-47.39
O=C([O-])C1CCCN1S(=O)(=O)N1CCOC2=CC([N+](=O)[O-])=CC=C2C1	REAL300007931772	0	41	-1.0	-45.94	346.89	5.20	-40.74
O=C([O-])C1=CC=C(CS(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)C=C1	REAL300007931773	0	42	-1.0	-59.25	372.77	7.54	-51.71
O=C([O-])C1CCN(S(=O)(=O)N2CCOC3=CC([N+](=O)[O-])=CC=C3C2)CC1	REAL300007931774	0	44	-1.0	-55.70	353.25	5.38	-50.32
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CC(C)N1C=NC(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300007931866	0	39	-1.0	-53.47	327.44	4.63	-48.84
CC(C)C1=NC(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=CN1	REAL300007931867	0	39	-1.0	-53.05	325.80	2.69	-50.36
C[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2C(C)(C)C)C[C@@H](C(=O)[O-])O1	REAL300007931868	0	45	-1.0	-51.33	337.75	7.19	-44.14
C[C@@H]1CN(S(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)C[C@@H](C(=O)[O-])O1	REAL300007931869	0	41	-1.0	-53.14	348.14	3.64	-49.50
C[C@@H]1CN(S(=O)(=O)CC2CCCOC2)C[C@@H](C(=O)[O-])O1	REAL300007931870	0	40	-1.0	-52.02	313.74	2.89	-49.13
COC1=CC(Cl)=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1OC	REAL300007931871	0	41	-1.0	-50.54	346.17	3.65	-46.89
CC1=CC=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1Br	REAL300007931872	0	36	-1.0	-49.18	321.54	5.45	-43.73
CC1=C(F)C=CC=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931873	0	36	-1.0	-51.35	287.90	4.36	-46.99
C[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)C[C@@H](C(=O)[O-])O1	REAL300007931874	0	39	-1.0	-51.30	332.53	6.69	-44.61
C[C@@H]1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)C[C@@H](C(=O)[O-])O1	REAL300007931875	0	38	-1.0	-50.10	338.71	6.38	-43.72
C[C@@H]1CN(S(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)C[C@@H](C(=O)[O-])O1	REAL300007931876	0	37	-1.0	-52.64	327.50	3.91	-48.73
C[C@@H]1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)C[C@@H](C(=O)[O-])O1	REAL300007931877	0	40	-1.0	-52.93	343.92	5.66	-47.27
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931878	0	48	-1.0	-53.61	368.82	5.06	-48.55
C[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)F)C=C2)C[C@@H](C(=O)[O-])O1	REAL300007931879	0	36	-1.0	-51.51	314.24	5.12	-46.39
COCC1=CC=C(OC)C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300007931880	0	44	-1.0	-55.09	361.92	3.76	-51.33
COC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931881	0	37	-1.0	-53.70	313.24	4.11	-49.59
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931882	0	44	-1.0	-55.07	367.29	4.36	-50.71
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1C	REAL300007931883	0	44	-1.0	-55.14	373.10	1.34	-53.80
C[C@@H]1CN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C[C@@H](C(=O)[O-])O1	REAL300007931884	0	51	-1.0	-49.55	369.06	5.92	-43.63
CC1=NC2=C(S(=O)(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)C=CC=C2C=C1	REAL300007931885	0	41	-1.0	-57.78	340.19	5.69	-52.09
C[C@@H]1CN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1	REAL300007931886	0	41	-1.0	-62.44	346.86	6.16	-56.28
CCN(CC1CC1)S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931887	0	41	-1.0	-49.50	332.54	4.73	-44.77
C[C@@H]1CN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C[C@@H](C(=O)[O-])O1	REAL300007931888	0	44	-1.0	-53.26	358.79	2.71	-50.55
CCCN1C=NC(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300007931889	0	39	-1.0	-51.55	328.80	4.90	-46.65
COCCOCCOCCS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931890	0	47	-1.0	-53.57	388.30	1.44	-52.13
C[C@@H]1CN(S(=O)(=O)CCOCC2CC2)C[C@@H](C(=O)[O-])O1	REAL300007931891	0	40	-1.0	-50.51	330.96	3.46	-47.05
CC(COC1CCCC1)CS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931892	0	49	-1.0	-51.98	382.55	5.63	-46.35
CCOCC(C)CS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931893	0	42	-1.0	-52.67	337.87	3.54	-49.13
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300007931894	0	40	-1.0	-50.69	350.27	4.56	-46.13
C[C@@H]1CN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C[C@@H](C(=O)[O-])O1	REAL300007931895	0	41	-1.0	-50.67	340.08	1.99	-48.68
COC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300007931896	0	37	-1.0	-50.23	332.84	4.18	-46.05
C[C@@H]1CN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C[C@@H](C(=O)[O-])O1	REAL300007931897	0	37	-1.0	-52.71	323.08	4.39	-48.32
COC1=CC(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007931898	0	39	-1.0	-51.20	337.51	5.00	-46.20
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931899	0	39	-1.0	-49.42	327.18	5.58	-43.84
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931900	0	39	-1.0	-52.75	327.50	5.60	-47.15
CC1=CC(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007931901	0	39	-1.0	-49.01	336.55	5.77	-43.24
CC(C)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931902	0	42	-1.0	-51.36	319.92	5.48	-45.88
C[C@@H]1CN(S(=O)(=O)CCCN2CCOCC2)C[C@@H](C(=O)[O-])O1	REAL300007931903	0	45	-1.0	-52.17	353.50	1.10	-51.07
CCOC1=CC=CC(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300007931904	0	40	-1.0	-51.29	333.40	4.49	-46.80
COCCN1C=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=N1	REAL300007931905	0	40	-1.0	-54.05	341.38	1.79	-52.26
C[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C[C@@H](C(=O)[O-])O1	REAL300007931906	0	40	-1.0	-56.60	346.40	4.81	-51.79
C[C@@H]1CN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C[C@@H](C(=O)[O-])O1	REAL300007931907	0	41	-1.0	-55.49	353.39	6.33	-49.16
C[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C[C@@H](C(=O)[O-])O1	REAL300007931908	0	38	-1.0	-54.91	323.23	4.62	-50.29
C[C@@H]1CN(S(=O)(=O)CC2=CC=CC(Br)=C2)C[C@@H](C(=O)[O-])O1	REAL300007931909	0	36	-1.0	-53.21	324.99	5.47	-47.74
C[C@@H]1CN(S(=O)(=O)CC2=CC=CC=C2Br)C[C@@H](C(=O)[O-])O1	REAL300007931910	0	36	-1.0	-50.83	320.42	5.43	-45.40
C[C@@H]1CN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C[C@@H](C(=O)[O-])O1	REAL300007931911	0	40	-1.0	-70.82	346.20	2.04	-68.78
CC1=CC(Br)=CC(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300007931912	0	36	-1.0	-48.80	324.75	5.53	-43.27
CC1=C(Br)C=CC=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931913	0	36	-1.0	-50.20	302.02	4.90	-45.30
COCC1=CC=CC=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931914	0	40	-1.0	-50.76	322.55	3.90	-46.86
COC1=CC(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300007931915	0	37	-1.0	-49.73	331.91	4.23	-45.50
COC1=CC(OC)=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1Cl	REAL300007931916	0	41	-1.0	-54.19	352.36	3.92	-50.27
C[C@@H]1CN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C[C@@H](C(=O)[O-])O1	REAL300007931917	0	36	-1.0	-52.53	325.56	3.23	-49.30
C[C@@H]1CN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C[C@@H](C(=O)[O-])O1	REAL300007931918	0	36	-1.0	-54.38	320.69	3.02	-51.36
C[C@@H]1CN(S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C[C@@H](C(=O)[O-])O1	REAL300007931919	0	44	-1.0	-50.95	359.02	5.42	-45.53
C[C@@H]1CN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C[C@@H](C(=O)[O-])O1	REAL300007931920	0	36	-1.0	-59.34	318.19	3.20	-56.14
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931921	0	44	-1.0	-56.96	352.32	2.42	-54.54
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1	REAL300007931922	0	45	-1.0	-57.05	385.71	3.47	-53.58
CSC1=CC=CC=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931923	0	37	-1.0	-53.32	311.69	4.98	-48.34
CCC1=CC=CC(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300007931924	0	39	-1.0	-51.74	324.89	5.68	-46.06
C[C@@H]1CN(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C[C@@H](C(=O)[O-])O1	REAL300007931925	0	41	-1.0	-55.10	360.99	1.04	-54.06
C[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)C)C[C@@H](C(=O)[O-])O1	REAL300007931926	0	44	-1.0	-66.95	366.96	4.26	-62.69
CCC1=CC=C(CS(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1	REAL300007931927	0	42	-1.0	-53.14	348.63	6.41	-46.73
C[C@@H]1CN(S(=O)(=O)CCC2=CC=CS2)C[C@@H](C(=O)[O-])O1	REAL300007931928	0	36	-1.0	-51.77	315.40	4.75	-47.02
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300007931929	0	42	-1.0	-61.51	364.18	2.66	-58.85
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931930	0	43	-1.0	-63.49	367.52	1.57	-61.92
CC1=CC=C(CS(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1C	REAL300007931931	0	42	-1.0	-53.64	344.17	6.17	-47.47
COC1=CC=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007931932	0	47	-1.0	-54.52	390.21	7.32	-47.20
C[C@@H]1CN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C[C@@H](C(=O)[O-])O1	REAL300007931933	0	37	-1.0	-52.35	333.43	4.84	-47.51
C[C@@H]1CN(S(=O)(=O)N(C)C2CCCC2)C[C@@H](C(=O)[O-])O1	REAL300007931934	0	41	-1.0	-50.22	320.17	4.12	-46.10
C[C@@H]1CN(S(=O)(=O)N2CCOC(C)(C)C2)C[C@@H](C(=O)[O-])O1	REAL300007931935	0	42	-1.0	-49.66	328.28	2.46	-47.20
CC1=NOC(CS(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300007931936	0	35	-1.0	-56.66	302.82	3.13	-53.53
C[C@@H]1CN(S(=O)(=O)C2=CC=C3N=C(C(C)(C)C)SC3=C2)C[C@@H](C(=O)[O-])O1	REAL300007931937	0	47	-1.0	-51.58	395.04	6.20	-45.38
CC(C)N1N=CC2=CC(S(=O)(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)=CC=C21	REAL300007931938	0	45	-1.0	-52.16	372.32	5.71	-46.45
CCS(=O)(=O)NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931939	0	40	-1.0	-56.78	343.76	-1.11	-57.89
CC1=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300007931940	0	39	-1.0	-48.81	334.72	5.54	-43.27
C[C@@H]1CN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C[C@@H](C(=O)[O-])O1	REAL300007931941	0	36	-1.0	-49.32	337.70	6.19	-43.13
CC1=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300007931942	0	39	-1.0	-54.07	343.71	6.88	-47.19
C[C@@H]1CN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C[C@@H](C(=O)[O-])O1	REAL300007931943	0	36	-1.0	-49.96	329.81	5.89	-44.07
C[C@@H]1CN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C[C@@H](C(=O)[O-])O1	REAL300007931944	0	39	-1.0	-58.96	334.74	6.75	-52.21
C[C@@H]1CN(S(=O)(=O)CCC2CCCO2)C[C@@H](C(=O)[O-])O1	REAL300007931945	0	40	-1.0	-53.57	321.64	2.94	-50.63
C[C@@H]1CN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C[C@@H](C(=O)[O-])O1	REAL300007931946	0	39	-1.0	-51.80	342.63	5.97	-45.83
C[C@@H]1CN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C[C@@H](C(=O)[O-])O1	REAL300007931947	0	44	-1.0	-53.20	361.06	5.51	-47.69
C[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC3=NC=NN3C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300007931948	0	46	-1.0	-54.32	388.17	5.72	-48.60
C[C@@H]1CN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300007931949	0	44	-1.0	-56.37	379.91	1.22	-55.15
CC1=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300007931950	0	42	-1.0	-48.32	348.11	7.10	-41.22
CC1=CC=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1N(C)C	REAL300007931951	0	44	-1.0	-50.17	356.60	4.90	-45.27
C[C@@H]1CN(S(=O)(=O)CCC2=CC=CC=C2Br)C[C@@H](C(=O)[O-])O1	REAL300007931952	0	39	-1.0	-50.26	342.39	6.13	-44.13
C[C@@H]1CN(S(=O)(=O)C2=C3OCCCN3N=C2)C[C@@H](C(=O)[O-])O1	REAL300007931953	0	38	-1.0	-52.16	316.93	1.04	-51.12
C[C@@H]1CN(S(=O)(=O)CCOCC2CCCC2)C[C@@H](C(=O)[O-])O1	REAL300007931954	0	46	-1.0	-50.43	364.65	4.61	-45.82
COC1=CC(C)=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1Cl	REAL300007931955	0	40	-1.0	-53.25	333.97	4.46	-48.79
C[C@@H]1CN(S(=O)(=O)CC2=CC=CC(S(C)(=O)=O)=C2)C[C@@H](C(=O)[O-])O1	REAL300007931956	0	42	-1.0	-63.66	364.39	2.36	-61.30
CSC1=CC=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1Cl	REAL300007931957	0	37	-1.0	-49.27	337.22	5.72	-43.55
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931958	0	45	-1.0	-49.24	353.45	4.53	-44.71
C[C@@H]1CN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C[C@@H](C(=O)[O-])O1	REAL300007931959	0	41	-1.0	-49.43	352.76	2.73	-46.70
CCC1=NOC2=NC=C(S(=O)(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)C=C12	REAL300007931960	0	40	-1.0	-49.19	342.84	1.88	-47.31
C[C@@H]1CN(S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C[C@@H](C(=O)[O-])O1	REAL300007931961	0	38	-1.0	-51.72	326.40	3.38	-48.34
CCC1=CC(CC)=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(CC)=C1	REAL300007931962	0	51	-1.0	-49.62	374.90	8.18	-41.44
C[C@@H]1CN(S(=O)(=O)C2=CN3CCCCC3=N2)C[C@@H](C(=O)[O-])O1	REAL300007931963	0	40	-1.0	-60.91	327.28	4.18	-56.73
C[C@@H]1CN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C[C@@H](C(=O)[O-])O1	REAL300007931964	0	39	-1.0	-49.00	350.21	2.26	-46.74
C[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C[C@@H](C(=O)[O-])O1	REAL300007931965	0	42	-1.0	-58.73	332.94	7.14	-51.59
COC1=CC=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(C)=C1F	REAL300007931966	0	40	-1.0	-52.51	323.69	3.97	-48.54
C[C@@H]1CN(S(=O)(=O)CC2(C)CCCCC2)C[C@@H](C(=O)[O-])O1	REAL300007931967	0	45	-1.0	-50.38	329.75	5.66	-44.72
C[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C[C@@H](C(=O)[O-])O1	REAL300007931968	0	42	-1.0	-51.88	330.56	5.17	-46.71
C[C@@H]1CN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C[C@@H](C(=O)[O-])O1	REAL300007931970	0	41	-1.0	-51.47	350.93	5.44	-46.03
COCC1=CC(Cl)=CC(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1	REAL300007931971	0	40	-1.0	-49.83	353.84	4.49	-45.34
CC1=CC=C(CS(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(F)=C1	REAL300007931972	0	39	-1.0	-56.04	330.49	5.56	-50.48
C[C@@H]1CN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C[C@@H](C(=O)[O-])O1	REAL300007931974	0	33	-1.0	-47.05	314.62	4.43	-42.62
C[C@@H]1CN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C[C@@H](C(=O)[O-])O1	REAL300007931975	0	46	-1.0	-53.04	368.55	7.43	-45.61
C[C@@H]1CN(S(=O)(=O)CC2=NOC(C(C)(C)C)=C2)C[C@@H](C(=O)[O-])O1	REAL300007931976	0	44	-1.0	-53.04	364.01	4.99	-48.05
C[C@@H]1CN(S(=O)(=O)CCCC(C)(C)C)C[C@@H](C(=O)[O-])O1	REAL300007931977	0	44	-1.0	-50.60	342.01	5.10	-45.50
C[C@@H]1CN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C[C@@H](C(=O)[O-])O1	REAL300007931978	0	42	-1.0	-63.36	341.14	1.31	-62.05
C[C@@H]1CN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C[C@@H](C(=O)[O-])O1	REAL300007931979	0	36	-1.0	-49.39	318.23	4.71	-44.68
CC1=C(CCS(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)SC=N1	REAL300007931980	0	38	-1.0	-52.99	331.15	3.48	-49.51
C[C@@H]1CN(S(=O)(=O)CC23CCC(CC2)C3)C[C@@H](C(=O)[O-])O1	REAL300007931981	0	43	-1.0	-52.13	330.74	5.63	-46.50
C[C@@H]1CN(S(=O)(=O)CC2CC(F)(F)C2)C[C@@H](C(=O)[O-])O1	REAL300007931982	0	36	-1.0	-53.51	307.29	4.20	-49.31
COC1=CC=C2C=C(S(=O)(=O)N3C[C@@H](C)O[C@H](C(=O)[O-])C3)CCC2=C1	REAL300007931983	0	45	-1.0	-52.68	365.93	5.95	-46.73
C[C@@H]1CN(S(=O)(=O)CC23CCC(CC2)CC3)C[C@@H](C(=O)[O-])O1	REAL300007931984	0	46	-1.0	-51.82	339.40	6.25	-45.57
C[C@@H]1CN(S(=O)(=O)CCC2CCOC2)C[C@@H](C(=O)[O-])O1	REAL300007931985	0	40	-1.0	-51.82	319.10	2.64	-49.18
C[C@@H]1CN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)C[C@@H](C(=O)[O-])O1	REAL300007931986	0	44	-1.0	-57.15	353.15	1.25	-55.90
C[C@@H]1CN(S(=O)(=O)CC2CCCCC2(F)F)C[C@@H](C(=O)[O-])O1	REAL300007931987	0	42	-1.0	-51.12	334.24	5.45	-45.67
C[C@@H]1CN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300007931988	0	40	-1.0	-50.08	329.10	6.19	-43.89
CCC1=CC=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007931989	0	41	-1.0	-57.64	344.44	6.10	-51.54
C[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C=C2)C[C@@H](C(=O)[O-])O1	REAL300007931990	0	33	-1.0	-49.15	298.78	4.77	-44.38
C[C@@H]1CN(S(=O)(=O)C2=CC=C(Br)C=C2)C[C@@H](C(=O)[O-])O1	REAL300007931991	0	33	-1.0	-49.05	303.34	4.88	-44.17
C[C@@H]1CN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C[C@@H](C(=O)[O-])O1	REAL300007931992	0	35	-1.0	-49.77	310.27	4.92	-44.85
C[C@@H]1CN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C[C@@H](C(=O)[O-])O1	REAL300007931993	0	39	-1.0	-52.58	327.98	6.53	-46.05
C[C@@H]1CN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C[C@@H](C(=O)[O-])O1	REAL300007931994	0	35	-1.0	-57.28	310.23	4.91	-52.37
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300007931995	0	38	-1.0	-49.18	317.52	5.31	-43.87
COC1=CC=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1	REAL300007931996	0	37	-1.0	-51.75	311.54	3.56	-48.19
C[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1	REAL300007931997	0	35	-1.0	-63.17	300.79	5.90	-57.27
CCOC1=CC=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1	REAL300007931998	0	40	-1.0	-50.09	332.97	4.40	-45.69
CC1=CC(C)=C(C)C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)=C1C	REAL300007931999	0	45	-1.0	-49.92	335.51	6.58	-43.34
CC1=CC(C)=C(S(=O)(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(C)=C1	REAL300007932000	0	42	-1.0	-49.79	323.31	6.18	-43.61
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939101	0	36	-1.0	-42.92	308.08	4.60	-38.32
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939102	0	43	-1.0	-44.20	359.80	4.77	-39.43
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007939103	0	43	-1.0	-47.28	367.04	1.48	-45.80
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007939104	0	50	-1.0	-47.28	358.65	5.83	-41.45
CC1=NC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=CC=C2C=C1	REAL300007939105	0	40	-1.0	-53.74	324.34	6.08	-47.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007939106	0	40	-1.0	-49.59	340.45	6.28	-43.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007939107	0	43	-1.0	-47.46	353.82	2.80	-44.66
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939108	0	46	-1.0	-48.37	392.71	5.86	-42.51
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939109	0	46	-1.0	-45.23	389.51	5.84	-39.39
CCCN1C=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939110	0	38	-1.0	-55.64	322.86	5.13	-50.51
COCCOCCOCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939111	0	46	-1.0	-50.99	384.25	1.70	-49.29
CC(COC1CCCC1)CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939112	0	48	-1.0	-44.15	375.53	5.78	-38.37
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939113	0	39	-1.0	-44.85	343.92	4.72	-40.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007939114	0	40	-1.0	-48.28	334.60	2.01	-46.27
COC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939115	0	36	-1.0	-46.41	323.78	4.22	-42.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007939116	0	36	-1.0	-50.79	318.18	4.51	-46.28
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007939117	0	38	-1.0	-45.07	330.91	5.15	-39.92
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939118	0	38	-1.0	-40.17	322.57	6.03	-34.14
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939119	0	38	-1.0	-38.78	324.64	6.03	-32.75
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300007939120	0	38	-1.0	-42.44	330.19	5.90	-36.54
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939121	0	41	-1.0	-47.83	322.08	6.01	-41.82
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCN1CCOCC1	REAL300007939122	0	44	-1.0	-47.64	347.57	1.24	-46.40
CCOC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939123	0	39	-1.0	-46.36	326.72	4.64	-41.72
COCCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007939124	0	39	-1.0	-44.90	335.16	2.03	-42.87
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007939125	0	39	-1.0	-52.61	339.76	4.93	-47.68
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007939126	0	59	-1.0	-51.07	457.78	8.79	-42.28
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007939127	0	40	-1.0	-48.27	346.36	6.49	-41.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007939128	0	37	-1.0	-53.15	316.61	4.76	-48.39
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007939129	0	35	-1.0	-45.82	317.85	5.64	-40.18
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1Br	REAL300007939130	0	35	-1.0	-50.75	314.44	5.54	-45.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007939131	0	39	-1.0	-58.18	337.65	2.17	-56.01
CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939132	0	35	-1.0	-44.31	315.69	5.58	-38.73
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939133	0	35	-1.0	-43.09	303.52	5.61	-37.48
COCC1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939134	0	39	-1.0	-45.16	313.62	4.31	-40.85
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300007939135	0	36	-1.0	-45.18	325.30	4.37	-40.81
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007939136	0	40	-1.0	-46.58	337.07	4.19	-42.39
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007939137	0	35	-1.0	-43.64	319.35	3.48	-40.16
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007939138	0	35	-1.0	-45.32	314.59	3.15	-42.17
CC1(C)CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300007939139	0	43	-1.0	-48.06	353.24	5.49	-42.57
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007939140	0	35	-1.0	-53.85	311.64	3.72	-50.13
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939141	0	43	-1.0	-50.70	318.29	2.35	-48.35
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939142	0	44	-1.0	-54.37	379.06	3.60	-50.77
CSC1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939143	0	36	-1.0	-46.01	307.94	5.21	-40.80
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007939144	0	40	-1.0	-49.16	354.37	1.19	-47.97
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939145	0	46	-1.0	-51.16	394.54	2.18	-48.98
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939146	0	43	-1.0	-47.24	342.72	3.82	-43.42
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007939147	0	43	-1.0	-48.46	375.84	2.08	-46.38
CCC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939148	0	41	-1.0	-46.28	342.51	6.55	-39.73
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CS1	REAL300007939149	0	35	-1.0	-44.64	310.49	5.00	-39.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007939150	0	47	-1.0	-51.93	389.13	4.84	-47.09
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007939151	0	44	-1.0	-51.62	362.76	3.73	-47.89
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939152	0	41	-1.0	-52.27	357.55	2.82	-49.45
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939153	0	42	-1.0	-51.06	362.32	2.05	-49.01
CC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007939154	0	41	-1.0	-47.20	338.03	6.31	-40.89
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300007939155	0	39	-1.0	-43.50	347.14	5.30	-38.20
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007939156	0	46	-1.0	-47.60	383.93	7.45	-40.15
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007939157	0	36	-1.0	-50.78	328.51	4.96	-45.82
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939158	0	39	-1.0	-49.72	343.80	4.85	-44.87
CC1(C)CN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCO1	REAL300007939159	0	41	-1.0	-44.26	321.89	2.44	-41.82
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2S1	REAL300007939160	0	46	-1.0	-48.60	388.38	6.35	-42.25
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939161	0	39	-1.0	-44.54	338.46	5.86	-38.68
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300007939162	0	44	-1.0	-49.27	366.12	5.94	-43.33
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939163	0	39	-1.0	-51.50	339.74	-0.86	-52.36
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007939164	0	38	-1.0	-45.73	329.09	5.68	-40.05
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007939165	0	35	-1.0	-44.29	332.00	6.29	-38.00
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007939166	0	38	-1.0	-42.42	340.67	7.23	-35.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007939167	0	35	-1.0	-47.03	324.74	6.14	-40.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007939168	0	38	-1.0	-53.56	331.89	7.15	-46.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007939169	0	38	-1.0	-46.70	336.38	6.17	-40.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007939170	0	43	-1.0	-47.18	357.07	5.57	-41.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007939171	0	46	-1.0	-42.91	387.64	8.02	-34.89
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939172	0	45	-1.0	-51.81	381.93	5.91	-45.90
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007939173	0	43	-1.0	-49.34	375.88	1.46	-47.88
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007939174	0	41	-1.0	-49.27	340.89	7.31	-41.96
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1N(C)C	REAL300007939175	0	43	-1.0	-46.06	349.99	5.05	-41.01
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007939176	0	38	-1.0	-48.10	337.43	6.36	-41.74
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007939177	0	37	-1.0	-52.94	306.20	1.40	-51.54
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCOCC1CCCC1	REAL300007939178	0	45	-1.0	-45.72	360.62	4.85	-40.87
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007939179	0	39	-1.0	-40.32	329.02	4.86	-35.46
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939180	0	41	-1.0	-54.10	359.46	2.61	-51.49
CSC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007939181	0	36	-1.0	-43.39	330.59	5.88	-37.51
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939182	0	44	-1.0	-52.48	349.59	4.76	-47.72
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007939183	0	40	-1.0	-49.52	346.98	2.81	-46.71
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C12	REAL300007939184	0	39	-1.0	-44.37	336.62	2.12	-42.25
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007939185	0	43	-1.0	-46.81	371.93	4.23	-42.58
CN1N=CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CN=C21	REAL300007939186	0	37	-1.0	-46.29	319.74	3.53	-42.76
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007939187	0	38	-1.0	-46.93	342.50	7.25	-39.68
CCC1=CC(CC)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(CC)=C1	REAL300007939188	0	50	-1.0	-44.84	365.03	8.67	-36.17
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007939189	0	39	-1.0	-50.99	319.94	4.40	-46.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007939190	0	38	-1.0	-43.09	344.43	2.31	-40.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007939191	0	41	-1.0	-44.74	337.28	7.86	-36.88
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300007939192	0	39	-1.0	-48.56	318.42	4.48	-44.08
CC1(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCCCC1	REAL300007939193	0	44	-1.0	-46.25	322.76	5.82	-40.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007939194	0	41	-1.0	-49.36	333.35	5.77	-43.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007939196	0	40	-1.0	-48.70	344.97	5.67	-43.03
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939197	0	39	-1.0	-45.06	344.79	4.53	-40.53
CC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300007939198	0	38	-1.0	-48.67	324.36	5.69	-42.98
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007939200	0	32	-1.0	-40.36	308.09	4.58	-35.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007939201	0	45	-1.0	-45.16	364.63	7.52	-37.64
CC(C)(C)C1=CC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=NO1	REAL300007939202	0	43	-1.0	-45.82	357.66	4.96	-40.86
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007939203	0	41	-1.0	-48.98	336.88	1.42	-47.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007939204	0	35	-1.0	-46.16	311.63	4.84	-41.32
CC1=C(CCS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])SC=N1	REAL300007939205	0	37	-1.0	-46.40	324.17	3.64	-42.76
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC12CCC(CC1)C2	REAL300007939206	0	42	-1.0	-45.06	324.39	5.64	-39.42
COC1=CC=C2C=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])CCC2=C1	REAL300007939207	0	44	-1.0	-48.43	355.23	5.98	-42.45
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC12CCC(CC1)CC2	REAL300007939208	0	45	-1.0	-45.13	333.08	6.25	-38.88
CC(C)(CCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])S(C)(=O)=O	REAL300007939209	0	43	-1.0	-61.27	349.14	1.52	-59.75
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CCCCC1(F)F	REAL300007939210	0	41	-1.0	-48.15	328.50	5.48	-42.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007939211	0	39	-1.0	-48.29	324.84	6.45	-41.84
CCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007939212	0	40	-1.0	-42.38	337.75	6.23	-36.15
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007939213	0	32	-1.0	-43.84	292.16	4.90	-38.94
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007939214	0	32	-1.0	-43.82	296.72	5.01	-38.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007939215	0	34	-1.0	-43.07	303.61	5.05	-38.02
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007939216	0	38	-1.0	-49.38	321.94	6.50	-42.88
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007939217	0	34	-1.0	-52.34	303.60	5.07	-47.27
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939218	0	37	-1.0	-37.85	311.75	5.68	-32.17
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007939219	0	34	-1.0	-58.97	285.43	5.88	-53.09
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939220	0	39	-1.0	-54.81	345.18	5.72	-49.09
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939221	0	39	-1.0	-47.71	326.75	4.61	-43.10
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007939222	0	44	-1.0	-43.41	326.18	6.64	-36.77
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300007939223	0	41	-1.0	-46.06	324.87	6.53	-39.53
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939224	0	47	-1.0	-43.67	359.78	7.31	-36.36
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007939225	0	35	-1.0	-41.06	314.80	5.40	-35.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007939226	0	35	-1.0	-45.04	294.51	4.96	-40.08
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007939227	0	32	-1.0	-46.73	292.11	4.92	-41.81
CC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939228	0	37	-1.0	-51.87	315.84	4.77	-47.10
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007939229	0	38	-1.0	-43.21	330.88	5.16	-38.05
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939230	0	44	-1.0	-47.34	351.62	6.71	-40.63
CC(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939231	0	41	-1.0	-47.24	335.65	6.31	-40.93
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939232	0	43	-1.0	-51.56	370.99	2.38	-49.18
CCCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939233	0	41	-1.0	-46.98	339.81	6.60	-40.38
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300007939234	0	36	-1.0	-48.58	325.29	4.37	-44.21
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300007939235	0	35	-1.0	-43.15	315.32	5.57	-37.58
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)=C1	REAL300007939236	0	46	-1.0	-47.73	386.86	7.92	-39.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007939237	0	36	-1.0	-44.47	321.36	4.18	-40.29
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1C	REAL300007939238	0	47	-1.0	-44.83	341.11	7.13	-37.70
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007939239	0	41	-1.0	-48.49	338.21	4.35	-44.14
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939240	0	48	-1.0	-46.24	377.82	6.85	-39.39
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007939241	0	37	-1.0	-55.25	321.71	5.64	-49.61
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939242	0	36	-1.0	-42.75	322.98	5.15	-37.60
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939243	0	50	-1.0	-45.78	379.66	8.19	-37.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007939244	0	35	-1.0	-43.27	314.17	5.38	-37.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007939245	0	42	-1.0	-49.07	335.79	6.82	-42.25
COC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939246	0	40	-1.0	-46.40	331.36	3.83	-42.57
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300007939247	0	40	-1.0	-50.17	334.12	3.61	-46.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007939248	0	39	-1.0	-49.21	320.92	6.31	-42.90
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007939249	0	40	-1.0	-47.32	325.77	6.68	-40.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007939250	0	37	-1.0	-47.93	311.30	4.26	-43.67
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939251	0	47	-1.0	-46.85	378.86	7.89	-38.96
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OCC	REAL300007939252	0	46	-1.0	-47.24	377.82	5.45	-41.79
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939253	0	37	-1.0	-51.86	329.64	-0.66	-52.52
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007939254	0	40	-1.0	-43.69	334.07	6.03	-37.66
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007939255	0	40	-1.0	-39.27	328.44	6.27	-33.00
CC1=CC2=CC=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=C2N=C1	REAL300007939256	0	40	-1.0	-55.23	332.97	5.76	-49.47
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007939257	0	38	-1.0	-56.39	316.50	5.12	-51.27
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939258	0	36	-1.0	-43.81	316.21	5.04	-38.77
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939259	0	37	-1.0	-49.71	329.63	-0.64	-50.35
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007939260	0	44	-1.0	-47.00	378.80	1.99	-45.01
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939261	0	40	-1.0	-47.35	339.91	5.66	-41.69
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007939262	0	41	-1.0	-45.77	325.87	5.44	-40.33
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300007939263	0	40	-1.0	-46.45	328.18	5.37	-41.08
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007939264	0	40	-1.0	-57.49	323.40	7.11	-50.38
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939265	0	43	-1.0	-49.23	370.99	2.40	-46.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007939266	0	44	-1.0	-48.70	361.46	3.74	-44.96
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939267	0	38	-1.0	-53.13	336.09	1.93	-51.20
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007939268	0	42	-1.0	-50.15	338.77	7.75	-42.40
CC1CC(C)CN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1	REAL300007939269	0	43	-1.0	-44.27	335.63	4.60	-39.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007939270	0	38	-1.0	-52.22	315.10	6.63	-45.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007939271	0	42	-1.0	-49.13	349.57	7.80	-41.33
CC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939272	0	35	-1.0	-39.47	288.40	5.16	-34.31
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=CC=C12	REAL300007939273	0	46	-1.0	-47.91	365.57	6.44	-41.47
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007939274	0	33	-1.0	-47.17	292.17	2.97	-44.20
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939275	0	36	-1.0	-42.84	318.38	5.05	-37.79
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939276	0	47	-1.0	-47.17	365.84	7.17	-40.00
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007939277	0	35	-1.0	-47.53	310.85	5.52	-42.01
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939278	0	42	-1.0	-48.87	342.78	5.10	-43.77
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007939279	0	35	-1.0	-45.95	313.28	5.54	-40.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300007939280	0	33	-1.0	-47.85	285.47	3.12	-44.73
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007939281	0	37	-1.0	-51.24	326.10	6.83	-44.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007939282	0	37	-1.0	-62.99	313.66	5.03	-57.96
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007939283	0	43	-1.0	-48.07	380.34	7.72	-40.35
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939284	0	38	-1.0	-42.75	327.26	5.21	-37.54
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007939285	0	36	-1.0	-50.42	311.10	3.78	-46.64
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007939286	0	35	-1.0	-48.99	302.10	5.11	-43.88
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007939287	0	43	-1.0	-46.84	380.88	7.68	-39.16
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300007939288	0	47	-1.0	-48.56	393.66	6.46	-42.10
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	REAL300007939289	0	59	-1.0	-46.18	429.03	10.09	-36.09
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007939290	0	48	-1.0	-49.59	380.62	7.46	-42.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007939291	0	35	-1.0	-42.25	330.67	6.06	-36.19
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007939292	0	42	-1.0	-50.77	343.39	5.98	-44.79
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939293	0	37	-1.0	-39.89	311.73	5.67	-34.22
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939294	0	37	-1.0	-47.06	302.85	5.47	-41.59
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939295	0	40	-1.0	-37.21	326.34	6.58	-30.63
CC(C)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939296	0	44	-1.0	-46.91	356.61	7.07	-39.84
COCCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939297	0	42	-1.0	-47.17	351.97	4.90	-42.27
COCCN(CCOC)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939298	0	44	-1.0	-42.23	338.38	2.16	-40.07
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939299	0	35	-1.0	-39.57	298.67	5.60	-33.97
COC1=C(C)C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007939300	0	42	-1.0	-47.69	347.05	5.20	-42.49
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939301	0	48	-1.0	-46.11	387.30	6.71	-39.40
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007939302	0	46	-1.0	-47.25	370.20	6.58	-40.67
CC(C)COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939303	0	45	-1.0	-47.43	368.35	6.10	-41.33
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939304	0	42	-1.0	-47.38	348.24	5.41	-41.97
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007939305	0	36	-1.0	-43.68	320.90	4.26	-39.42
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007939306	0	36	-1.0	-46.28	330.65	4.53	-41.75
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007939307	0	39	-1.0	-46.13	325.32	4.43	-41.70
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300007939308	0	45	-1.0	-47.65	365.36	6.03	-41.62
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300007939309	0	39	-1.0	-44.90	312.94	4.31	-40.59
COCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939310	0	43	-1.0	-49.98	360.37	3.88	-46.10
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1F	REAL300007939311	0	35	-1.0	-53.49	302.94	5.01	-48.48
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939312	0	35	-1.0	-40.63	304.79	5.62	-35.01
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007939313	0	40	-1.0	-56.58	323.50	7.33	-49.25
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939314	0	41	-1.0	-47.75	346.63	2.55	-45.20
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007939315	0	44	-1.0	-51.39	384.40	2.23	-49.16
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939316	0	40	-1.0	-51.86	352.01	0.55	-51.31
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939317	0	40	-1.0	-51.25	330.44	2.09	-49.16
CC1=NC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300007939318	0	34	-1.0	-46.12	301.96	2.85	-43.27
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007939319	0	35	-1.0	-46.37	307.94	5.65	-40.72
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300007939320	0	36	-1.0	-45.84	311.10	3.78	-42.06
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007939321	0	42	-1.0	-52.07	349.58	7.82	-44.25
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007939322	0	35	-1.0	-41.62	333.08	6.12	-35.50
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])S2)=CS1	REAL300007939323	0	38	-1.0	-48.49	353.25	4.91	-43.58
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007939324	0	52	-1.0	-46.00	409.98	8.00	-38.00
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939325	0	40	-1.0	-53.27	324.90	6.20	-47.07
CNC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1C	REAL300007939326	0	40	-1.0	-51.86	338.96	1.90	-49.96
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300007939327	0	42	-1.0	-46.46	332.89	5.16	-41.30
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007939328	0	43	-1.0	-50.49	359.60	8.52	-41.97
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007939329	0	42	-1.0	-43.52	333.06	5.04	-38.48
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007939330	0	40	-1.0	-52.01	320.48	5.53	-46.48
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007939331	0	37	-1.0	-51.14	305.29	4.73	-46.41
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])=C2	REAL300007939332	0	45	-1.0	-55.05	375.61	8.08	-46.97
CCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007939333	0	37	-1.0	-61.68	319.68	5.41	-56.27
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007939334	0	39	-1.0	-48.23	346.32	5.07	-43.16
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007939335	0	46	-1.0	-47.52	386.65	7.66	-39.86
CCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939336	0	40	-1.0	-58.69	338.46	5.67	-53.02
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007939337	0	42	-1.0	-46.23	362.64	5.82	-40.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007939338	0	35	-1.0	-57.59	302.34	3.55	-54.04
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939339	0	54	-1.0	-43.44	407.70	7.17	-36.27
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939340	0	40	-1.0	-50.24	350.93	0.90	-49.34
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300007939341	0	35	-1.0	-46.15	302.96	5.10	-41.05
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007939342	0	45	-1.0	-50.32	365.15	6.91	-43.41
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939343	0	42	-1.0	-48.28	341.86	6.14	-42.14
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007939344	0	37	-1.0	-48.71	323.71	4.57	-44.14
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007939345	0	39	-1.0	-51.79	337.12	5.37	-46.42
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939346	0	46	-1.0	-49.95	382.23	4.84	-45.11
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939347	0	48	-1.0	-46.04	391.23	6.97	-39.07
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007939348	0	42	-1.0	-48.04	323.86	6.44	-41.60
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007939349	0	38	-1.0	-52.19	323.29	6.22	-45.97
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007939350	0	36	-1.0	-45.41	331.76	5.85	-39.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007939351	0	37	-1.0	-47.09	311.36	3.70	-43.39
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007939352	0	40	-1.0	-59.55	337.51	5.52	-54.03
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007939353	0	38	-1.0	-64.40	314.98	0.74	-63.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007939354	0	37	-1.0	-52.14	323.64	4.56	-47.58
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300007939355	0	42	-1.0	-44.78	334.80	5.23	-39.55
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939356	0	40	-1.0	-48.73	352.35	0.55	-48.18
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007939357	0	36	-1.0	-46.79	302.20	4.61	-42.18
CSC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939358	0	36	-1.0	-46.06	315.57	5.40	-40.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007939359	0	38	-1.0	-44.35	337.82	6.12	-38.23
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939360	0	43	-1.0	-45.58	341.79	6.12	-39.46
CCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])N=C1C	REAL300007939361	0	38	-1.0	-58.62	319.32	4.14	-54.48
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007939362	0	38	-1.0	-49.78	318.30	4.00	-45.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007939363	0	37	-1.0	-46.75	307.12	4.72	-42.03
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007939364	0	44	-1.0	-48.35	364.98	6.26	-42.09
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(F)(F)F	REAL300007939365	0	38	-1.0	-46.58	330.20	5.91	-40.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007939366	0	38	-1.0	-48.16	343.37	5.10	-43.06
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007939367	0	41	-1.0	-52.01	337.87	5.92	-46.09
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C12	REAL300007939368	0	40	-1.0	-50.42	341.69	4.14	-46.28
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939369	0	39	-1.0	-50.74	342.52	4.87	-45.87
COCC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939370	0	39	-1.0	-48.67	330.56	4.11	-44.56
CC1(C)CC2=CC=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=C2O1	REAL300007939371	0	43	-1.0	-49.14	339.44	5.66	-43.48
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300007939372	0	35	-1.0	-51.24	311.19	5.43	-45.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007939373	0	44	-1.0	-56.84	372.88	2.98	-53.86
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007939374	0	39	-1.0	-43.16	345.62	4.90	-38.26
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007939375	0	40	-1.0	-55.72	329.89	5.21	-50.51
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007939376	0	35	-1.0	-48.48	326.67	6.00	-42.48
CC1CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300007939377	0	40	-1.0	-47.59	329.92	4.93	-42.66
CCC1=CC=CC(CC)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939378	0	44	-1.0	-45.06	322.17	7.25	-37.81
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939379	0	44	-1.0	-46.90	360.10	3.26	-43.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007939380	0	43	-1.0	-48.64	382.19	7.75	-40.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007939381	0	38	-1.0	-55.25	339.65	5.02	-50.23
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007939382	0	38	-1.0	-47.97	353.68	5.55	-42.42
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)=CO1	REAL300007939383	0	41	-1.0	-54.70	351.76	3.44	-51.26
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C(F)(F)F)=N1	REAL300007939384	0	35	-1.0	-54.74	305.28	2.99	-51.75
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007939385	0	35	-1.0	-49.33	305.22	4.77	-44.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007939386	0	35	-1.0	-48.34	301.82	2.90	-45.44
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007939387	0	35	-1.0	-44.24	302.56	1.09	-43.15
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007939388	0	40	-1.0	-47.74	326.76	4.95	-42.79
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007939389	0	39	-1.0	-46.05	310.52	5.82	-40.23
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=N2)C=C1	REAL300007939390	0	42	-1.0	-48.62	357.36	6.21	-42.41
CC1CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC(Cl)=C2O1	REAL300007939391	0	40	-1.0	-45.28	349.17	5.50	-39.78
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007939392	0	37	-1.0	-41.93	319.98	5.57	-36.36
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007939393	0	43	-1.0	-52.39	363.12	5.18	-47.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007939394	0	34	-1.0	-47.57	307.38	3.89	-43.68
CN(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939395	0	40	-1.0	-49.41	326.87	4.79	-44.62
CC1=CC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2C=C1	REAL300007939396	0	41	-1.0	-50.02	342.56	7.31	-42.71
COC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])SC=C1	REAL300007939397	0	33	-1.0	-50.18	295.82	3.43	-46.75
CN(C)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939398	0	40	-1.0	-50.27	327.91	4.83	-45.44
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007939399	0	37	-1.0	-50.52	306.08	4.66	-45.86
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007939400	0	37	-1.0	-54.79	320.99	4.33	-50.46
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007939401	0	37	-1.0	-46.93	311.56	4.08	-42.85
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007939402	0	38	-1.0	-45.81	334.88	6.34	-39.47
CN1CCCC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C21	REAL300007939403	0	44	-1.0	-49.81	349.96	4.98	-44.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007939404	0	34	-1.0	-45.53	311.33	3.55	-41.98
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939405	0	40	-1.0	-52.33	327.21	4.94	-47.39
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939406	0	40	-1.0	-48.44	326.57	6.17	-42.27
CC1=CC=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1[N+](=O)[O-]	REAL300007939407	0	40	-1.0	-60.07	331.27	7.32	-52.75
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007939408	0	40	-1.0	-38.06	327.56	6.13	-31.93
COC1=CC=C(CCS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939409	0	42	-1.0	-47.98	347.65	5.12	-42.86
COC1=CN=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939410	0	35	-1.0	-47.13	299.98	1.87	-45.26
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300007939411	0	41	-1.0	-45.84	348.51	6.03	-39.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007939412	0	39	-1.0	-47.40	324.64	6.49	-40.91
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC(OC)=C1	REAL300007939413	0	40	-1.0	-49.95	334.97	2.84	-47.11
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1CCCCC1	REAL300007939414	0	44	-1.0	-44.44	341.05	6.07	-38.37
CC1=CC=C(CCS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939415	0	41	-1.0	-46.90	339.55	6.50	-40.40
CC1=CC2=C(C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])OCO2	REAL300007939416	0	38	-1.0	-40.89	309.88	3.57	-37.32
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007939417	0	35	-1.0	-51.14	302.11	4.94	-46.20
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300007939418	0	36	-1.0	-45.27	320.90	4.26	-41.01
CN1C=NC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300007939419	0	38	-1.0	-59.39	323.63	5.75	-53.64
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007939420	0	40	-1.0	-51.42	327.07	6.37	-45.05
CC1=NC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2O1	REAL300007939421	0	37	-1.0	-50.26	316.61	1.97	-48.29
CCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1CC	REAL300007939422	0	44	-1.0	-48.26	352.36	6.97	-41.29
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939423	0	40	-1.0	-41.61	331.66	6.54	-35.07
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939424	0	42	-1.0	-51.08	335.53	5.83	-45.25
CC1=C(C)SC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939425	0	35	-1.0	-45.48	310.00	4.78	-40.70
NC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939426	0	33	-1.0	-39.12	292.07	2.37	-36.75
CCC1=NC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300007939427	0	34	-1.0	-46.78	305.52	2.97	-43.81
CN(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007939428	0	39	-1.0	-50.51	323.79	4.28	-46.23
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300007939429	0	35	-1.0	-46.40	301.76	4.66	-41.74
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007939430	0	38	-1.0	-52.77	319.26	5.32	-47.45
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007939431	0	35	-1.0	-51.50	298.08	3.29	-48.21
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC(C)=C1F	REAL300007939432	0	38	-1.0	-43.89	322.81	5.73	-38.16
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007939433	0	39	-1.0	-48.18	331.38	4.12	-44.06
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007939434	0	45	-1.0	-45.51	376.70	5.79	-39.72
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007939435	0	36	-1.0	-58.64	313.13	4.42	-54.22
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007939436	0	34	-1.0	-48.63	292.12	4.21	-44.42
CC1=NC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CS1	REAL300007939437	0	34	-1.0	-50.74	306.11	2.64	-48.10
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007939438	0	35	-1.0	-43.00	316.35	5.63	-37.37
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Cl	REAL300007939439	0	35	-1.0	-43.17	311.29	5.48	-37.69
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007939440	0	38	-1.0	-48.86	323.50	5.41	-43.45
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)=N1	REAL300007939441	0	41	-1.0	-47.09	361.62	5.85	-41.24
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007939442	0	40	-1.0	-49.40	322.81	5.86	-43.54
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007939443	0	39	-1.0	-50.84	340.52	2.26	-48.58
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007939444	0	41	-1.0	-51.70	331.89	4.92	-46.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007939445	0	35	-1.0	-47.11	317.50	5.50	-41.61
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939446	0	57	-1.0	-45.96	455.73	9.31	-36.65
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939447	0	45	-1.0	-44.71	361.56	6.01	-38.70
COC(CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C1CCCC1	REAL300007939448	0	45	-1.0	-44.23	348.60	4.57	-39.66
COC(CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C1CCCCC1	REAL300007939449	0	48	-1.0	-44.98	366.25	5.04	-39.94
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007939450	0	46	-1.0	-51.33	392.86	7.76	-43.57
CCOC(CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C1CC1	REAL300007939451	0	42	-1.0	-46.21	342.37	4.50	-41.71
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007939452	0	51	-1.0	-46.47	406.84	7.45	-39.02
CCC1=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1CC1CC1	REAL300007939453	0	45	-1.0	-51.48	372.85	6.32	-45.16
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007939454	0	35	-1.0	-47.76	315.25	3.89	-43.87
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007939455	0	40	-1.0	-50.81	332.57	6.70	-44.11
CN1N=CC(C2CC2)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939456	0	39	-1.0	-46.55	317.71	4.20	-42.35
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007939457	0	45	-1.0	-46.24	379.46	6.55	-39.69
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939458	0	35	-1.0	-42.58	313.97	2.74	-39.84
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007939459	0	43	-1.0	-43.25	369.40	8.36	-34.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007939460	0	42	-1.0	-51.83	335.10	7.61	-44.22
CCC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(C)C=C1OC	REAL300007939461	0	45	-1.0	-43.13	352.97	5.85	-37.28
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007939462	0	38	-1.0	-43.04	346.62	6.26	-36.78
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=N1	REAL300007939463	1	34	-1.0	-52.25	298.15	3.19	-49.06
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007939464	0	41	-1.0	-49.95	326.34	7.45	-42.50
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007939465	0	41	-1.0	-47.36	344.56	2.97	-44.39
COC1=C(F)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939466	0	36	-1.0	-48.61	304.52	4.75	-43.86
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007939467	0	48	-1.0	-48.31	385.33	6.65	-41.66
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007939468	0	44	-1.0	-43.49	353.60	6.66	-36.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007939469	0	51	-1.0	-45.76	401.46	8.92	-36.84
CN1N=C2CCCCC2=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939470	0	42	-1.0	-48.22	330.34	4.37	-43.85
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C(C)(C)C)=N1	REAL300007939471	0	44	-1.0	-45.80	338.32	4.27	-41.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007939472	0	42	-1.0	-50.53	343.31	4.71	-45.82
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939473	0	35	-1.0	-46.01	304.36	3.00	-43.01
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939474	0	39	-1.0	-50.88	332.20	4.42	-46.46
C=CCCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939475	0	42	-1.0	-47.12	352.61	7.17	-39.95
CCC1=NN(C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939476	0	38	-1.0	-47.91	314.23	3.24	-44.67
CCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007939477	0	54	-1.0	-47.82	428.32	8.23	-39.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007939478	0	36	-1.0	-44.82	325.81	5.96	-38.86
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)(C)C	REAL300007939479	0	54	-1.0	-46.26	419.77	8.09	-38.17
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1CC	REAL300007939480	0	48	-1.0	-47.84	389.90	6.93	-40.91
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939481	0	38	-1.0	-42.11	319.34	6.35	-35.76
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939482	0	38	-1.0	-46.63	333.27	6.26	-40.37
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007939483	0	36	-1.0	-47.81	321.63	6.04	-41.77
CCCC1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939484	0	41	-1.0	-45.37	322.46	6.70	-38.67
COC1=NC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939485	0	35	-1.0	-45.96	290.62	1.69	-44.27
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939486	0	48	-1.0	-46.70	385.76	7.12	-39.58
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007939487	0	37	-1.0	-49.26	302.21	4.48	-44.78
CC1=CSC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939488	0	35	-1.0	-43.47	294.21	4.94	-38.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007939489	0	39	-1.0	-46.61	323.76	4.00	-42.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007939490	0	39	-1.0	-46.28	319.51	3.97	-42.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007939491	0	42	-1.0	-45.17	338.97	5.21	-39.96
CC1(C)COC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=NN2C1	REAL300007939492	0	43	-1.0	-52.34	344.18	2.51	-49.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007939493	0	38	-1.0	-49.40	342.35	5.29	-44.11
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2CCCCN12	REAL300007939494	0	39	-1.0	-47.33	316.89	4.52	-42.81
CCCCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007939495	0	57	-1.0	-47.63	449.82	9.01	-38.62
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007939496	0	48	-1.0	-49.70	370.58	5.88	-43.82
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939497	0	42	-1.0	-55.59	348.81	5.79	-49.80
CCOCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C(C)C	REAL300007939498	0	55	-1.0	-49.89	440.80	6.87	-43.02
CC1CC2=CC=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=C2O1	REAL300007939499	0	40	-1.0	-52.32	328.39	5.50	-46.82
CC(C)(C)C1=NC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300007939500	0	40	-1.0	-46.98	345.58	3.93	-43.05
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007939501	0	38	-1.0	-49.66	326.34	5.04	-44.62
CC1=NN2C=CC=NC2=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939502	0	37	-1.0	-59.03	314.14	3.77	-55.26
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007939503	0	41	-1.0	-45.04	317.43	4.29	-40.75
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007939504	0	36	-1.0	-50.91	326.84	4.85	-46.06
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007939505	0	33	-1.0	-45.02	290.27	3.19	-41.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007939506	0	35	-1.0	-48.05	314.33	5.82	-42.23
CN1N=C(C2CC2)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939507	0	39	-1.0	-47.23	319.82	3.78	-43.45
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300007939508	0	41	-1.0	-42.74	324.31	6.52	-36.22
COC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1OC	REAL300007939509	0	40	-1.0	-49.50	324.45	4.55	-44.95
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=COC2=CC=CC=C21	REAL300007939510	0	35	-1.0	-47.01	291.33	4.18	-42.83
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C2CCCC2)=N1	REAL300007939511	0	45	-1.0	-48.52	356.28	5.10	-43.42
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939512	0	44	-1.0	-46.60	351.44	4.94	-41.66
CCCCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=N1	REAL300007939513	0	44	-1.0	-48.00	358.38	4.92	-43.08
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300007939514	0	39	-1.0	-47.74	325.39	4.00	-43.74
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007939515	0	36	-1.0	-50.32	314.64	3.96	-46.36
CN1N=NC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=CC=C21	REAL300007939516	0	37	-1.0	-52.17	311.62	2.97	-49.20
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300007939517	0	38	-1.0	-40.08	324.79	6.27	-33.81
CC1(C)CCCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1	REAL300007939518	0	43	-1.0	-44.69	328.87	4.76	-39.93
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007939519	0	38	-1.0	-44.52	339.25	5.40	-39.12
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C2CCC2)=N1	REAL300007939520	0	42	-1.0	-46.56	336.36	4.40	-42.16
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939521	0	50	-1.0	-49.07	380.02	7.85	-41.22
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007939522	0	38	-1.0	-41.42	346.58	6.28	-35.14
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007939523	0	42	-1.0	-45.05	349.47	5.06	-39.99
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007939524	0	36	-1.0	-47.63	309.37	5.22	-42.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007939525	0	43	-1.0	-44.76	369.37	7.68	-37.08
COC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007939526	0	41	-1.0	-59.01	338.14	5.82	-53.19
CCCC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939527	0	41	-1.0	-46.38	339.77	6.61	-39.77
CN1N=C2CCCC2=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939528	0	39	-1.0	-48.50	321.77	3.76	-44.74
CC(C)(C)N1N=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939529	0	41	-1.0	-46.73	318.88	3.72	-43.01
CC(C)(C)N1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007939530	0	41	-1.0	-46.47	341.16	3.97	-42.50
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007939531	0	39	-1.0	-46.69	319.96	3.12	-43.57
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN=C1C(F)(F)F	REAL300007939532	0	37	-1.0	-46.68	326.37	4.19	-42.49
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007939533	0	35	-1.0	-42.88	318.12	5.38	-37.50
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939534	0	43	-1.0	-48.22	359.97	6.44	-41.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007939535	0	43	-1.0	-47.37	345.32	7.38	-39.99
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007939536	0	38	-1.0	-44.92	333.43	5.31	-39.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007939537	0	38	-1.0	-47.86	315.58	4.69	-43.17
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300007939538	0	39	-1.0	-51.21	328.95	2.58	-48.63
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939539	0	42	-1.0	-45.52	371.60	5.14	-40.38
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007939540	0	32	-1.0	-42.57	289.26	3.93	-38.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007939541	0	39	-1.0	-45.85	324.97	6.48	-39.37
COC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=CS1	REAL300007939542	0	33	-1.0	-44.77	296.42	3.24	-41.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007939543	0	42	-1.0	-46.66	334.43	4.57	-42.09
CCC(C)N1N=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939544	0	41	-1.0	-45.32	329.97	4.15	-41.17
CN(C1CCCCCC1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939545	0	46	-1.0	-47.30	340.05	5.15	-42.15
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C2CCOCC2)=N1	REAL300007939546	0	46	-1.0	-47.75	364.11	3.24	-44.51
CC(F)(F)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939547	0	38	-1.0	-43.59	328.63	5.93	-37.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007939548	0	36	-1.0	-47.27	314.61	3.99	-43.28
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007939549	0	47	-1.0	-48.73	367.14	6.81	-41.92
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300007939550	0	33	-1.0	-45.32	299.29	2.84	-42.48
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007939551	0	43	-1.0	-53.82	345.40	6.71	-47.11
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007939552	0	40	-1.0	-42.26	331.15	4.32	-37.94
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CCF)N=C1	REAL300007939553	0	35	-1.0	-43.70	308.07	3.11	-40.59
CCOCC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939554	0	42	-1.0	-46.89	352.31	5.09	-41.80
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939555	0	42	-1.0	-48.48	349.28	5.27	-43.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007939556	0	45	-1.0	-50.43	361.92	5.34	-45.09
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007939557	0	43	-1.0	-48.22	363.26	7.09	-41.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1CF	REAL300007939558	0	35	-1.0	-45.79	288.96	5.19	-40.60
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC(C)=C1Br	REAL300007939559	0	38	-1.0	-44.19	333.48	6.13	-38.06
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007939560	0	41	-1.0	-52.27	332.88	7.17	-45.10
CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007939561	0	42	-1.0	-46.77	347.58	5.32	-41.45
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007939562	0	36	-1.0	-45.14	312.49	5.61	-39.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007939563	0	36	-1.0	-44.77	330.37	6.06	-38.71
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007939564	0	36	-1.0	-44.78	327.37	6.17	-38.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007939565	0	37	-1.0	-45.69	318.55	-1.69	-47.38
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007939566	0	35	-1.0	-55.15	296.71	4.40	-50.75
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CCC(F)(F)CC1	REAL300007939567	0	38	-1.0	-63.62	309.70	5.06	-58.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007939568	0	34	-1.0	-52.71	306.30	3.80	-48.91
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCOC1CCOC1	REAL300007939569	0	40	-1.0	-46.90	327.70	1.54	-45.36
CC1=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007939570	0	41	-1.0	-55.07	349.35	3.54	-51.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007939571	0	49	-1.0	-45.60	352.66	7.12	-38.48
CC1(C)COC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1	REAL300007939572	0	42	-1.0	-48.95	335.18	3.92	-45.03
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007939573	0	35	-1.0	-48.67	306.88	-0.09	-48.76
CC(C)(CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])C(C)(F)F	REAL300007939574	0	40	-1.0	-48.54	314.84	4.85	-43.69
CS(=O)(=O)CCCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939575	0	40	-1.0	-56.27	346.40	1.04	-55.23
CC1(C)CCC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])OC1	REAL300007939576	0	45	-1.0	-46.76	350.14	4.74	-42.02
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007939577	0	42	-1.0	-44.73	345.50	6.67	-38.06
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007939578	0	36	-1.0	-57.09	321.85	3.30	-53.79
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007939579	0	42	-1.0	-46.97	357.66	7.10	-39.87
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007939580	0	41	-1.0	-48.09	327.72	1.76	-46.33
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007939581	0	45	-1.0	-47.27	341.45	6.28	-40.99
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007939582	0	36	-1.0	-45.54	320.56	5.58	-39.96
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300007939583	0	54	-1.0	-49.74	405.11	8.59	-41.15
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939584	0	43	-1.0	-47.19	346.58	5.35	-41.84
COC1=CSC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1OC	REAL300007939585	0	37	-1.0	-44.81	320.56	2.66	-42.15
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007939586	0	44	-1.0	-46.65	334.08	4.80	-41.85
CN(CCC1=CC=CC=C1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939587	0	43	-1.0	-44.50	355.34	6.32	-38.18
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007939588	0	36	-1.0	-44.56	316.08	4.62	-39.94
COC1=CC(F)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300007939589	0	36	-1.0	-46.11	311.58	3.90	-42.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007939590	0	36	-1.0	-50.70	320.85	4.05	-46.65
CN1N=C2C=CC=CC2=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939591	0	38	-1.0	-49.04	319.41	4.31	-44.73
CN1C=CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300007939592	0	39	-1.0	-54.11	329.08	6.17	-47.94
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007939593	0	41	-1.0	-45.40	354.25	4.90	-40.50
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939594	0	45	-1.0	-52.18	363.87	6.63	-45.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007939595	0	43	-1.0	-44.01	358.56	7.16	-36.85
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939596	0	38	-1.0	-53.93	307.41	5.68	-48.25
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007939597	0	33	-1.0	-44.85	308.66	3.42	-41.43
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939598	0	43	-1.0	-46.41	359.00	6.04	-40.37
CCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C2CC2)=N1	REAL300007939599	0	42	-1.0	-49.66	351.56	4.98	-44.68
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=NSN=C2C=C1	REAL300007939600	0	36	-1.0	-42.32	306.75	3.54	-38.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007939601	0	38	-1.0	-47.22	337.94	7.15	-40.07
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007939602	0	42	-1.0	-46.91	366.31	8.35	-38.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007939603	0	31	-1.0	-46.76	301.05	2.45	-44.31
CCC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300007939604	0	38	-1.0	-44.45	334.41	6.29	-38.16
CC1=NN(C2CCCC2)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939605	0	45	-1.0	-45.81	358.72	5.49	-40.32
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CS1	REAL300007939606	0	29	-1.0	-44.40	282.58	3.86	-40.54
COCCC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939607	0	46	-1.0	-46.23	378.22	5.03	-41.20
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007939608	0	38	-1.0	-44.98	314.92	6.66	-38.32
CN1N=C2CCOCC2=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939609	0	40	-1.0	-47.67	322.60	2.03	-45.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007939610	0	39	-1.0	-44.39	310.05	6.36	-38.03
CC1(C)CCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300007939611	0	43	-1.0	-44.90	320.84	4.17	-40.73
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007939612	0	47	-1.0	-49.71	375.40	4.62	-45.09
COC1=NC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939613	0	35	-1.0	-43.45	304.14	2.12	-41.33
COC1=NC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007939614	0	38	-1.0	-47.18	323.24	1.65	-45.53
CC(C)CN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007939615	0	41	-1.0	-44.91	342.79	4.51	-40.40
CC1=NN(C(C)C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939616	0	41	-1.0	-47.43	333.97	3.88	-43.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007939617	0	42	-1.0	-47.02	330.97	1.95	-45.07
COCC1=CC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=NO1	REAL300007939618	0	38	-1.0	-51.48	330.13	2.12	-49.36
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007939619	0	37	-1.0	-48.02	322.29	5.76	-42.26
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])N=C1	REAL300007939620	0	43	-1.0	-52.27	348.12	4.63	-47.64
CC(C)N1N=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939621	0	38	-1.0	-46.22	310.85	3.25	-42.97
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007939622	0	39	-1.0	-44.32	320.79	4.57	-39.75
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007939623	0	39	-1.0	-49.49	320.50	4.94	-44.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007939624	0	34	-1.0	-49.93	303.76	3.32	-46.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300007939625	0	37	-1.0	-54.81	309.46	4.56	-50.25
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=NN1C(C)C	REAL300007939626	0	41	-1.0	-41.93	333.14	4.04	-37.89
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007939627	0	46	-1.0	-47.83	385.53	7.95	-39.88
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007939628	0	37	-1.0	-50.48	310.77	4.87	-45.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CC=C(Br)CC1	REAL300007939629	0	35	-1.0	-42.00	306.09	4.12	-37.88
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939630	0	40	-1.0	-51.47	328.05	-0.02	-51.49
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CC2CCC(C1)O2	REAL300007939631	0	39	-1.0	-47.11	305.00	2.36	-44.75
N#CC1CCN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CC1	REAL300007939632	0	38	-1.0	-44.25	312.64	3.83	-40.42
COC1=CC=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939633	0	35	-1.0	-51.89	298.54	1.74	-50.15
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C(F)F)=C1	REAL300007939634	0	39	-1.0	-45.11	319.90	4.34	-40.77
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])N=C1	REAL300007939635	0	35	-1.0	-46.69	302.35	1.64	-45.05
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939636	0	38	-1.0	-44.23	331.87	2.75	-41.48
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007939637	0	37	-1.0	-46.48	310.76	4.73	-41.75
CCOC1=CC=CN=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007939638	0	38	-1.0	-54.59	318.59	3.67	-50.92
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=NC=CC=C12	REAL300007939639	0	40	-1.0	-55.08	332.76	5.53	-49.55
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007939640	0	36	-1.0	-53.66	305.55	4.23	-49.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007939641	0	34	-1.0	-51.43	301.30	3.30	-48.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007939642	0	39	-1.0	-50.70	344.54	5.23	-45.47
CC1=CC=C(OC(C)C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007939643	0	45	-1.0	-57.94	363.82	6.39	-51.55
COC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CCOCC2)C=C1	REAL300007939644	0	47	-1.0	-52.53	364.16	4.49	-48.04
COC1=CC=C(C2(NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CCOCC2)C=C1	REAL300007939645	0	47	-1.0	-54.58	364.63	4.52	-50.06
COC1=CC=C(C2(NS(=O)(=O)C3=C(C(=O)[O-])SC=C3)CCOCC2)C=C1	REAL300007939646	0	44	-1.0	-49.69	349.93	4.25	-45.44
COC1=CC=C(C2(NS(=O)(=O)C3=CC=CC(C(=O)[O-])=C3)CCOCC2)C=C1	REAL300007939647	0	47	-1.0	-54.58	364.63	4.52	-50.06
COC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])C=C3)CCOCC2)C=C1	REAL300007939648	0	47	-1.0	-52.53	364.16	4.49	-48.04
COC1=CC=C(C2(NS(=O)(=O)C3=CC=CC=C3C(=O)[O-])CCOCC2)C=C1	REAL300007939649	0	47	-1.0	-52.81	355.27	5.45	-47.36
COC1=CC=C(C2(NS(=O)(=O)C3=CNC(C(=O)[O-])=C3)CCOCC2)C=C1	REAL300007939650	0	45	-1.0	-53.23	359.27	2.47	-50.76
COC1=CC=C(C2(NS(=O)(=O)C3=CN(CC(=O)[O-])N=C3)CCOCC2)C=C1	REAL300007939651	0	47	-1.0	-46.69	367.28	3.70	-42.99
COC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])S3)CCOCC2)C=C1	REAL300007939652	0	44	-1.0	-50.87	359.34	3.93	-46.94
COC1=CC=C(C2(NS(=O)(=O)C3=NNC=C3C(=O)[O-])CCOCC2)C=C1	REAL300007939653	0	44	-1.0	-58.16	344.93	2.76	-55.40
COC1=CC=C(C2(NS(=O)(=O)C3=CC=CC=C3C(=O)[O-])CCOCC2)C=C1	REAL300007939654	0	47	-1.0	-52.81	355.27	5.45	-47.36
COC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCOCC2)C=C1	REAL300007939655	0	44	-1.0	-52.48	356.19	3.35	-49.13
COC1=CC=C(C2(NS(=O)(=O)C3=CC(C(=O)[O-])=C(C)O3)CCOCC2)C=C1	REAL300007939656	0	47	-1.0	-54.63	372.84	3.74	-50.89
COC1=CC=C(C2(NS(=O)(=O)CCCC(=O)[O-])CCOCC2)C=C1	REAL300007939657	0	46	-1.0	-52.22	356.67	3.47	-48.75
COC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])O3)CCOCC2)C=C1	REAL300007939658	0	44	-1.0	-52.48	356.19	3.35	-49.13
COC1=CC=C(C2(NS(=O)(=O)CCCC(=O)[O-])CCOCC2)C=C1	REAL300007939659	0	46	-1.0	-52.22	356.67	3.47	-48.75
COC1=CC=C(C2(NS(=O)(=O)C3=CC(C(=O)[O-])=CS3)CCOCC2)C=C1	REAL300007939660	0	44	-1.0	-55.69	357.28	3.58	-52.11
COC1=CC=C(C2(NS(=O)(=O)C3=CSC(C(=O)[O-])=C3)CCOCC2)C=C1	REAL300007939661	0	44	-1.0	-53.56	359.38	3.97	-49.59
COC1=CC=C(C2(NS(=O)(=O)C3=CC(C(=O)[O-])=CO3)CCOCC2)C=C1	REAL300007939662	0	44	-1.0	-53.74	352.60	2.97	-50.77
COC1=CC=C(C2(NS(=O)(=O)C3=C(C)OC(C(=O)[O-])=C3)CCOCC2)C=C1	REAL300007939663	0	47	-1.0	-55.36	369.01	3.76	-51.60
COC1=CC=C(C2(NS(=O)(=O)C3=CN=CC(C(=O)[O-])=C3)CCOCC2)C=C1	REAL300007939664	0	46	-1.0	-49.35	363.10	3.03	-46.32
COC1=CC=C(C2(NS(=O)(=O)C3=CSN=C3C(=O)[O-])CCOCC2)C=C1	REAL300007939665	0	43	-1.0	-53.74	344.38	2.80	-50.94
COC1=CC=C(C2(NS(=O)(=O)C3=C(C(=O)[O-])N=CS3)CCOCC2)C=C1	REAL300007939666	0	43	-1.0	-68.52	353.86	2.37	-66.15
COC1=CC=C(C2(NS(=O)(=O)C3=CC=CN=C3C(=O)[O-])CCOCC2)C=C1	REAL300007939667	0	46	-1.0	-55.31	349.72	3.37	-51.94
COC1=CC=C(C2(NS(=O)(=O)CCCCCC(=O)[O-])CCOCC2)C=C1	REAL300007939668	0	52	-1.0	-52.68	399.67	5.03	-47.65
COC1=CC=C(C2(NS(=O)(=O)C3=CC=C(C(=O)[O-])N=C3)CCOCC2)C=C1	REAL300007939669	0	46	-1.0	-52.64	369.02	3.00	-49.64
COC1=CC=C(C2(NS(=O)(=O)CC3(CC(=O)[O-])CC3)CCOCC2)C=C1	REAL300007939670	0	50	-1.0	-54.17	377.93	4.78	-49.39
COC1=CC=C(C2(NS(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CCOCC2)C=C1	REAL300007939671	0	47	-1.0	-48.45	349.43	2.45	-46.00
COC1=CC=C(C2(NS(=O)(=O)C3=CC(C)=C(C(=O)[O-])O3)CCOCC2)C=C1	REAL300007939672	0	47	-1.0	-51.73	372.16	3.86	-47.87
COC1=CC=C(C2(NS(=O)(=O)C3=C(C(=O)[O-])C=CO3)CCOCC2)C=C1	REAL300007939673	0	44	-1.0	-58.94	344.91	4.00	-54.94
COC1=CC=C(C2(NS(=O)(=O)C3(C(=O)[O-])CCC3)CCOCC2)C=C1	REAL300007939674	0	47	-1.0	-46.57	345.09	3.82	-42.75
COC1=CC=C(C2(NS(=O)(=O)C3=NNC=C3C(=O)[O-])CCOCC2)C=C1	REAL300007939675	0	44	-1.0	-58.16	344.93	2.76	-55.40
COC1=CC=C(C2(NS(=O)(=O)C3=C(C(=O)[O-])C=NN3C)CCOCC2)C=C1	REAL300007939676	0	47	-1.0	-48.45	349.43	2.45	-46.00
COC1=CC=C(C2(NS(=O)(=O)C3=NNC(C(=O)[O-])=C3)CCOCC2)C=C1	REAL300007939677	0	44	-1.0	-45.48	352.22	1.13	-44.35
COC1=CC=C(C2(NS(=O)(=O)C3=CC(C(=O)[O-])=NN3C)CCOCC2)C=C1	REAL300007939678	0	47	-1.0	-55.85	365.51	2.68	-53.17
COC1=CC=C(C2(NS(=O)(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CCOCC2)C=C1	REAL300007939679	0	47	-1.0	-54.01	356.90	4.02	-49.99
COC1=CC=C(C2(NS(=O)(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CCOCC2)C=C1	REAL300007939680	0	50	-1.0	-54.11	373.71	4.50	-49.61
COC1=CC=C(C2(NS(=O)(=O)C[C@@H]3C[C@H]3C(=O)[O-])CCOCC2)C=C1	REAL300007939681	0	47	-1.0	-54.43	367.38	4.18	-50.25
COC1=CC=C(C2(NS(=O)(=O)C3=NNC(C(=O)[O-])=C3)CCOCC2)C=C1	REAL300007939682	0	44	-1.0	-45.48	352.22	1.13	-44.35
COC1=CC=C(C2(NS(=O)(=O)[C@H]3CC[C@H]3C(=O)[O-])CCOCC2)C=C1	REAL300007939683	0	47	-1.0	-56.72	346.59	4.54	-52.18
COC1=CC=C(C2(NS(=O)(=O)C3=CN=CC=C3C(=O)[O-])CCOCC2)C=C1	REAL300007939684	0	46	-1.0	-47.05	351.01	3.52	-43.53
O=C([O-])C1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1	REAL300007939685	0	44	-1.0	-51.74	348.73	5.18	-46.56
O=C([O-])C1=CC=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939686	0	44	-1.0	-54.17	346.92	5.23	-48.94
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939687	0	47	-1.0	-55.10	357.68	5.68	-49.42
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939688	0	48	-1.0	-57.54	366.08	4.87	-52.67
CC1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1C(=O)[O-]	REAL300007939689	0	47	-1.0	-55.49	364.77	5.72	-49.77
O=C([O-])C1=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=CS1	REAL300007939690	0	41	-1.0	-62.25	319.28	4.32	-57.93
O=C([O-])C1=CC=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939691	0	44	-1.0	-54.17	346.92	5.23	-48.94
O=C([O-])C1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1	REAL300007939692	0	44	-1.0	-51.74	348.73	5.18	-46.56
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939693	0	44	-1.0	-67.98	338.67	6.30	-61.68
O=C([O-])C1=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=CN1	REAL300007939694	0	42	-1.0	-52.29	335.44	2.96	-49.33
O=C([O-])CN1C=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=N1	REAL300007939695	0	44	-1.0	-52.04	352.57	3.36	-48.68
O=C([O-])C1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)S1	REAL300007939696	0	41	-1.0	-47.97	341.46	4.35	-43.62
O=C([O-])C1=CNN=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939697	0	41	-1.0	-52.66	323.08	2.23	-50.43
O=C([O-])C1CCCN(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C1	REAL300007939698	0	49	-1.0	-53.04	366.03	4.55	-48.49
O=C([O-])C1CCN(S(=O)(=O)N2CC34COCC3(C2)CCCC4)CC1	REAL300007939699	0	49	-1.0	-51.47	362.52	4.32	-47.15
O=C([O-])C1=CC=CC=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939700	0	44	-1.0	-67.98	338.67	6.30	-61.68
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939701	0	44	-1.0	-57.45	356.44	6.93	-50.52
O=C([O-])C1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)O1	REAL300007939702	0	41	-1.0	-49.36	330.23	3.53	-45.83
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)O1	REAL300007939703	0	44	-1.0	-49.06	349.96	4.03	-45.03
O=C([O-])CCCS(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939704	0	43	-1.0	-51.15	333.64	3.78	-47.37
O=C([O-])C1CCCN1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939705	0	46	-1.0	-58.49	341.45	4.08	-54.41
O=C([O-])C1=CC=C(CS(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1	REAL300007939706	0	47	-1.0	-56.07	371.40	5.89	-50.18
O=C([O-])C1CCN(S(=O)(=O)N2CC34COCC3(C2)CCCC4)CC1	REAL300007939707	0	49	-1.0	-51.47	362.52	4.32	-47.15
O=C([O-])C1=CC=CC(CS(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939708	0	47	-1.0	-58.35	371.41	5.87	-52.48
O=C([O-])C1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)O1	REAL300007939709	0	41	-1.0	-49.36	330.23	3.53	-45.83
O=C([O-])COC1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1	REAL300007939710	0	48	-1.0	-50.27	379.82	5.46	-44.81
O=C([O-])CCCS(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939711	0	43	-1.0	-51.15	333.64	3.78	-47.37
O=C([O-])C1=CSC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939712	0	41	-1.0	-50.85	340.99	4.24	-46.61
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1C	REAL300007939713	0	50	-1.0	-58.50	374.26	6.33	-52.17
CC1=CC=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1C(=O)[O-]	REAL300007939714	0	47	-1.0	-59.58	356.97	6.23	-53.35
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939715	0	51	-1.0	-53.61	400.55	4.88	-48.73
O=C([O-])C1=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=CS1	REAL300007939716	0	41	-1.0	-52.34	338.57	4.27	-48.07
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939717	0	47	-1.0	-51.56	352.58	5.56	-46.00
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1	REAL300007939718	0	47	-1.0	-50.23	370.92	5.95	-44.28
O=C([O-])C1=COC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939719	0	41	-1.0	-48.51	330.48	3.28	-45.23
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939720	0	47	-1.0	-52.86	369.09	6.00	-46.86
CC1=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C(C(=O)[O-])O1	REAL300007939721	0	44	-1.0	-53.51	347.57	4.24	-49.27
O=C([O-])C1=CN=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939722	0	43	-1.0	-49.90	343.94	3.38	-46.52
O=C([O-])C1=NSC=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939723	0	40	-1.0	-64.79	314.55	2.83	-61.96
O=C([O-])C1=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)SC=N1	REAL300007939724	0	40	-1.0	-55.18	323.56	2.74	-52.44
O=C([O-])C1=NC=CC=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939725	0	43	-1.0	-68.20	336.48	4.54	-63.66
O=C([O-])CCCCCS(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939726	0	49	-1.0	-52.06	376.63	5.34	-46.72
O=C([O-])C1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=N1	REAL300007939727	0	43	-1.0	-50.52	343.93	3.44	-47.08
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939728	0	44	-1.0	-50.47	365.48	5.69	-44.78
COC1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1C(=O)[O-]	REAL300007939729	0	48	-1.0	-61.24	376.03	5.26	-55.98
CC1=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=CC=C1C(=O)[O-]	REAL300007939730	0	47	-1.0	-51.15	364.78	5.73	-45.42
CN(CCC(=O)[O-])S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939731	0	45	-1.0	-47.93	346.45	3.38	-44.55
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939732	0	51	-1.0	-53.61	400.55	4.88	-48.73
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939733	0	44	-1.0	-50.47	365.48	5.69	-44.78
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939734	0	44	-1.0	-52.81	342.51	5.50	-47.31
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939735	0	47	-1.0	-51.57	370.64	6.18	-45.39
O=C([O-])C1=CC=C(CS(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1	REAL300007939736	0	47	-1.0	-56.07	371.40	5.89	-50.18
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939737	0	48	-1.0	-57.54	366.08	4.87	-52.67
CC1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1C(=O)[O-]	REAL300007939738	0	47	-1.0	-55.49	364.77	5.72	-49.77
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939739	0	47	-1.0	-55.10	357.68	5.68	-49.42
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939740	0	48	-1.0	-47.20	374.53	5.43	-41.77
O=C([O-])CC1(CS(=O)(=O)N2CC34COCC3(C2)CCCC4)CC1	REAL300007939741	0	47	-1.0	-51.58	357.86	5.04	-46.54
O=C([O-])CC1=CC=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939742	0	47	-1.0	-52.86	369.09	6.00	-46.86
COC1=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)SC(C(=O)[O-])=C1	REAL300007939743	0	45	-1.0	-47.10	369.47	3.72	-43.38
O=C([O-])C1CC2=CC(S(=O)(=O)N3CC45COCC4(C3)CCCC5)=CC=C2O1	REAL300007939744	0	49	-1.0	-50.41	384.89	5.88	-44.53
O=C([O-])C1(C2=CC=C(S(=O)(=O)N3CC45COCC4(C3)CCCC5)C=C2)CC1	REAL300007939745	0	51	-1.0	-52.62	395.44	7.15	-45.47
CCC1=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C(C(=O)[O-])O1	REAL300007939746	0	47	-1.0	-53.85	365.56	4.96	-48.89
O=C([O-])C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939747	0	46	-1.0	-58.80	352.52	6.41	-52.39
O=C([O-])C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939748	0	46	-1.0	-50.89	365.39	6.91	-43.98
CC1=NC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1C(=O)[O-]	REAL300007939749	0	46	-1.0	-47.85	358.36	3.95	-43.90
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939750	0	48	-1.0	-48.47	371.72	4.97	-43.50
COC1=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=CC=C1C(=O)[O-]	REAL300007939751	0	48	-1.0	-54.89	374.19	5.32	-49.57
COC1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C(CC(=O)[O-])=C1	REAL300007939752	0	51	-1.0	-61.64	377.27	5.73	-55.91
O=C([O-])CC1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1F	REAL300007939753	0	47	-1.0	-51.64	374.50	6.05	-45.59
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1	REAL300007939754	0	53	-1.0	-51.21	403.66	6.84	-44.37
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939755	0	44	-1.0	-54.46	339.76	3.54	-50.92
CC1=C(C(=O)[O-])OC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939756	0	44	-1.0	-52.14	351.92	4.19	-47.95
O=C([O-])C1=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=CC=C1Cl	REAL300007939757	0	44	-1.0	-53.93	361.27	5.58	-48.35
O=C([O-])C1=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)OC=C1	REAL300007939758	0	41	-1.0	-53.92	324.19	4.03	-49.89
O=C([O-])C1(S(=O)(=O)N2CC34COCC3(C2)CCCC4)CCC1	REAL300007939759	0	44	-1.0	-44.99	327.53	4.32	-40.67
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939760	0	48	-1.0	-62.72	368.99	5.79	-56.93
O=C([O-])C1=CNN=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939761	0	41	-1.0	-52.66	323.08	2.23	-50.43
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939762	0	44	-1.0	-54.46	339.76	3.54	-50.92
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939764	0	51	-1.0	-51.39	395.68	5.44	-45.95
O=C([O-])C1=CC=NC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939765	0	43	-1.0	-47.59	341.69	3.30	-44.29
O=C([O-])C1=CC=CC=C1CS(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939766	0	47	-1.0	-58.08	363.10	6.42	-51.66
O=C([O-])C1=C(Cl)OC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C1	REAL300007939767	0	41	-1.0	-46.97	348.86	3.87	-43.10
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939768	0	51	-1.0	-57.17	383.06	5.61	-51.56
COC1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C(C(=O)[O-])=C1	REAL300007939769	0	48	-1.0	-68.75	353.75	5.03	-63.72
O=C([O-])C1=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=CC=N1	REAL300007939770	0	43	-1.0	-57.95	344.86	3.40	-54.55
O=C([O-])C1=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=NN1	REAL300007939771	0	41	-1.0	-43.44	328.95	1.43	-42.01
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939772	0	44	-1.0	-55.31	349.31	2.97	-52.34
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)N2CC34COCC3(C2)CCCC4)C1	REAL300007939773	0	44	-1.0	-55.85	338.22	4.53	-51.32
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CC34COCC3(C2)CCCC4)C1	REAL300007939774	0	47	-1.0	-56.47	355.19	4.98	-51.49
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)S1	REAL300007939775	0	44	-1.0	-49.05	359.00	5.04	-44.01
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939776	0	47	-1.0	-61.48	347.65	6.42	-55.06
O=C([O-])C1=NC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=C2C=CC=CN21	REAL300007939777	0	47	-1.0	-66.56	371.83	3.81	-62.75
O=C([O-])C1=CN2C=NC(S(=O)(=O)N3CC45COCC4(C3)CCCC5)=C2C=C1	REAL300007939778	0	47	-1.0	-44.96	373.57	6.44	-38.52
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939779	0	44	-1.0	-53.30	343.44	4.45	-48.85
O=C([O-])C1CCCCN1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939780	0	49	-1.0	-53.67	349.46	4.89	-48.78
O=C([O-])C1=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=NN1	REAL300007939781	0	41	-1.0	-43.44	328.95	1.43	-42.01
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939782	0	46	-1.0	-49.51	345.47	3.67	-45.84
O=C([O-])C1=CNN=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939783	0	41	-1.0	-52.66	323.08	2.23	-50.43
O=C([O-])C1=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C(Cl)S1	REAL300007939784	0	41	-1.0	-46.96	343.81	5.22	-41.74
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939785	0	44	-1.0	-56.90	323.21	4.70	-52.20
CC1=CC(S(=O)(=O)N2CC34COCC3(C2)CCCC4)=CN=C1C(=O)[O-]	REAL300007939786	0	46	-1.0	-54.49	361.40	3.92	-50.57
O=C([O-])CC1=CC=CC=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939787	0	47	-1.0	-61.48	347.65	6.42	-55.06
CCOC1=CC=C(S(=O)(=O)N2CC34COCC3(C2)CCCC4)C=C1C(=O)[O-]	REAL300007939788	0	51	-1.0	-61.75	397.90	6.17	-55.58
O=C([O-])C1CC2=CC=C(S(=O)(=O)N3CC45COCC4(C3)CCCC5)C=C2C1	REAL300007939789	0	51	-1.0	-54.28	394.20	7.05	-47.23
O=C([O-])C1=CC=NC=C1S(=O)(=O)N1CC23COCC2(C1)CCCC3	REAL300007939790	0	43	-1.0	-57.77	332.86	4.42	-53.35
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=C1	REAL300007939791	0	32	-1.0	-51.47	324.21	5.95	-45.52
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939792	0	32	-1.0	-54.03	324.24	5.96	-48.07
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939793	0	35	-1.0	-57.43	338.87	6.87	-50.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939794	0	36	-1.0	-57.17	344.63	5.78	-51.39
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=C1C(=O)[O-]	REAL300007939795	0	35	-1.0	-54.46	344.33	6.61	-47.85
O=C([O-])C1=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=CS1	REAL300007939796	0	29	-1.0	-47.21	307.41	5.75	-41.46
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939797	0	32	-1.0	-54.03	324.24	5.96	-48.07
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=C1	REAL300007939798	0	32	-1.0	-51.47	324.21	5.95	-45.52
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939799	0	32	-1.0	-50.33	313.53	6.84	-43.49
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=CN1	REAL300007939800	0	30	-1.0	-52.06	312.77	3.68	-48.38
O=C([O-])CN1C=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=N1	REAL300007939801	0	32	-1.0	-53.15	328.77	4.10	-49.05
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)S1	REAL300007939802	0	29	-1.0	-48.20	316.51	5.09	-43.11
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939803	0	29	-1.0	-53.59	300.33	3.01	-50.58
O=C([O-])C1CCCN(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C1	REAL300007939804	0	37	-1.0	-48.99	340.44	5.01	-43.98
O=C([O-])C1CCN(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)CC1	REAL300007939805	0	37	-1.0	-50.72	340.85	5.06	-45.66
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939806	0	32	-1.0	-50.33	313.53	6.84	-43.49
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939807	0	32	-1.0	-44.33	330.26	7.37	-36.96
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)O1	REAL300007939808	0	29	-1.0	-49.67	308.99	4.32	-45.35
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)O1	REAL300007939809	0	32	-1.0	-50.14	327.21	4.81	-45.33
O=C([O-])CCCS(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939810	0	31	-1.0	-52.14	310.27	4.59	-47.55
O=C([O-])C1CCCN1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939811	0	34	-1.0	-61.92	324.03	5.13	-56.79
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=C1	REAL300007939812	0	35	-1.0	-57.76	348.03	6.67	-51.09
O=C([O-])C1CCN(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)CC1	REAL300007939813	0	37	-1.0	-50.72	340.85	5.06	-45.66
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939814	0	35	-1.0	-58.03	348.02	6.67	-51.36
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)O1	REAL300007939815	0	29	-1.0	-49.67	308.99	4.32	-45.35
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=C1	REAL300007939816	0	36	-1.0	-50.70	355.30	6.23	-44.47
O=C([O-])CCCS(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939817	0	31	-1.0	-52.14	310.27	4.59	-47.55
O=C([O-])C1=CSC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939818	0	29	-1.0	-50.54	317.41	5.00	-45.54
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1C	REAL300007939819	0	38	-1.0	-58.45	355.82	7.41	-51.04
CC1=CC=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1C(=O)[O-]	REAL300007939820	0	35	-1.0	-54.18	341.17	7.01	-47.17
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=CS1	REAL300007939821	0	29	-1.0	-52.29	315.90	4.98	-47.31
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939822	0	35	-1.0	-48.68	334.00	6.63	-42.05
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=C1	REAL300007939823	0	35	-1.0	-50.53	346.40	6.73	-43.80
O=C([O-])C1=COC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939824	0	29	-1.0	-49.81	309.23	4.08	-45.73
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939825	0	35	-1.0	-54.05	346.41	6.74	-47.31
CC1=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=C(C(=O)[O-])O1	REAL300007939826	0	32	-1.0	-54.11	328.94	5.09	-49.02
O=C([O-])C1=CN=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939827	0	31	-1.0	-47.30	319.41	4.17	-43.13
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939828	0	28	-1.0	-50.61	301.71	4.22	-46.39
O=C([O-])C1=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)SC=N1	REAL300007939829	0	28	-1.0	-55.55	305.80	3.69	-51.86
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939830	0	31	-1.0	-53.32	310.21	5.07	-48.25
O=C([O-])CCCCCS(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939831	0	37	-1.0	-53.39	353.26	6.15	-47.24
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=N1	REAL300007939832	0	31	-1.0	-51.27	320.08	4.18	-47.09
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939833	0	32	-1.0	-48.40	340.97	6.47	-41.93
COC1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=C1C(=O)[O-]	REAL300007939834	0	36	-1.0	-58.66	351.53	6.03	-52.63
CC1=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=CC=C1C(=O)[O-]	REAL300007939835	0	35	-1.0	-48.86	340.22	6.52	-42.34
CN(CCC(=O)[O-])S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939836	0	33	-1.0	-50.61	323.69	4.18	-46.43
O=C([O-])C1=CC(Cl)=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939837	0	32	-1.0	-48.40	340.97	6.47	-41.93
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939838	0	32	-1.0	-50.05	324.77	6.58	-43.47
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=C1	REAL300007939839	0	35	-1.0	-57.76	348.03	6.67	-51.09
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939840	0	36	-1.0	-57.17	344.63	5.78	-51.39
CC1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=C1C(=O)[O-]	REAL300007939841	0	35	-1.0	-54.46	344.33	6.61	-47.85
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939842	0	35	-1.0	-57.43	338.87	6.87	-50.56
O=C([O-])CC1(CS(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)CC1	REAL300007939843	0	35	-1.0	-49.03	334.79	5.84	-43.19
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939844	0	35	-1.0	-54.05	346.41	6.74	-47.31
COC1=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)SC(C(=O)[O-])=C1	REAL300007939845	0	33	-1.0	-47.78	342.47	4.25	-43.53
CCC1=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=C(C(=O)[O-])O1	REAL300007939846	0	35	-1.0	-53.72	348.59	5.88	-47.84
CC1=NC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=C1C(=O)[O-]	REAL300007939847	0	34	-1.0	-47.79	339.33	4.76	-43.03
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939848	0	36	-1.0	-49.25	344.66	5.79	-43.46
COC1=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=CC=C1C(=O)[O-]	REAL300007939849	0	36	-1.0	-54.62	351.53	6.04	-48.58
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C=C1F	REAL300007939850	0	35	-1.0	-52.67	351.83	6.78	-45.89
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939851	0	32	-1.0	-51.51	316.22	4.31	-47.20
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939852	0	32	-1.0	-50.53	326.95	4.94	-45.59
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=CC=C1Cl	REAL300007939853	0	32	-1.0	-51.03	336.72	6.36	-44.67
O=C([O-])C1=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)OC=C1	REAL300007939854	0	29	-1.0	-54.62	301.46	4.81	-49.81
O=C([O-])C1(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)CCC1	REAL300007939855	0	32	-1.0	-45.82	305.90	4.99	-40.83
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939856	0	36	-1.0	-48.93	342.92	6.16	-42.77
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939857	0	29	-1.0	-53.59	300.33	3.01	-50.58
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939858	0	32	-1.0	-51.51	316.22	4.31	-47.20
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939859	0	31	-1.0	-48.34	320.46	4.09	-44.25
O=C([O-])C1=CC=CC=C1CS(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939860	0	35	-1.0	-58.30	337.99	7.11	-51.19
O=C([O-])C1=C(Cl)OC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=C1	REAL300007939861	0	29	-1.0	-46.44	323.90	4.61	-41.83
COC1=CC=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C(C(=O)[O-])=C1	REAL300007939862	0	36	-1.0	-50.82	342.98	6.15	-44.67
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=CC=N1	REAL300007939863	0	31	-1.0	-55.83	320.31	4.18	-51.65
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=NN1	REAL300007939864	0	29	-1.0	-44.43	307.72	2.21	-42.22
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939865	0	32	-1.0	-54.44	325.73	3.72	-50.72
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C1	REAL300007939866	0	32	-1.0	-54.25	314.22	5.10	-49.15
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)C1	REAL300007939867	0	35	-1.0	-59.45	331.13	5.64	-53.81
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)S1	REAL300007939868	0	32	-1.0	-50.41	334.32	5.65	-44.76
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939869	0	35	-1.0	-59.43	336.72	7.15	-52.28
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939870	0	32	-1.0	-58.12	320.91	5.30	-52.82
O=C([O-])C1CCCCN1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939871	0	37	-1.0	-52.05	331.32	6.03	-46.02
O=C([O-])C1=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=NN1	REAL300007939872	0	29	-1.0	-44.43	307.72	2.21	-42.22
O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939873	0	34	-1.0	-61.92	324.04	5.12	-56.80
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939874	0	29	-1.0	-53.59	300.33	3.01	-50.58
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939875	0	32	-1.0	-57.49	306.36	5.82	-51.67
CC1=CC(S(=O)(=O)NCC2=CC=CC(Cl)=C2Cl)=CN=C1C(=O)[O-]	REAL300007939876	0	34	-1.0	-51.98	336.92	4.72	-47.26
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939877	0	35	-1.0	-59.43	336.72	7.15	-52.28
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1=CC=CC(Cl)=C1Cl	REAL300007939878	0	31	-1.0	-44.90	309.09	5.05	-39.85
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007939879	0	46	-1.0	-49.11	370.59	8.00	-41.11
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007939880	0	46	-1.0	-56.03	370.63	7.98	-48.05
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007939881	0	49	-1.0	-56.27	379.31	8.49	-47.78
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007939882	0	50	-1.0	-55.25	391.07	7.83	-47.42
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007939883	0	49	-1.0	-51.72	384.94	8.52	-43.20
CCC(CC)CCCN(C)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007939884	0	43	-1.0	-61.66	353.26	7.68	-53.98
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007939885	0	46	-1.0	-56.03	370.63	7.98	-48.05
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007939886	0	46	-1.0	-49.11	370.59	8.00	-41.11
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007939887	0	46	-1.0	-67.46	360.56	9.15	-58.31
CCC(CC)CCCN(C)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007939888	0	44	-1.0	-50.04	359.74	5.70	-44.34
CCC(CC)CCCN(C)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007939889	0	46	-1.0	-51.53	377.32	6.18	-45.35
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007939890	0	43	-1.0	-47.24	360.97	7.09	-40.15
CCC(CC)CCCN(C)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007939891	0	43	-1.0	-58.05	350.14	5.01	-53.04
CCC(CC)CCCN(C)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007939892	0	51	-1.0	-50.83	385.17	7.05	-43.78
CCC(CC)CCCN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007939893	0	51	-1.0	-50.77	387.96	7.10	-43.67
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007939894	0	46	-1.0	-67.46	360.56	9.15	-58.31
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007939895	0	46	-1.0	-59.23	381.31	9.79	-49.44
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007939896	0	43	-1.0	-49.53	353.46	6.33	-43.20
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300007939897	0	46	-1.0	-49.21	375.75	6.91	-42.30
CCC(CC)CCCN(C)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007939898	0	48	-1.0	-59.81	363.40	6.94	-52.87
CCC(CC)CCCN(C)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007939899	0	49	-1.0	-57.25	396.05	8.82	-48.43
CCC(CC)CCCN(C)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007939900	0	51	-1.0	-50.77	387.96	7.10	-43.67
CCC(CC)CCCN(C)S(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007939901	0	49	-1.0	-57.91	390.21	8.64	-49.27
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007939902	0	43	-1.0	-49.53	353.46	6.33	-43.20
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007939903	0	50	-1.0	-47.71	404.44	8.31	-39.40
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1OC	REAL300007939904	0	50	-1.0	-43.97	402.72	8.94	-35.03
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007939905	0	43	-1.0	-48.96	361.89	6.98	-41.98
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C)=C1C	REAL300007939906	0	52	-1.0	-57.45	392.28	8.90	-48.55
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=CC(C)=C1C(=O)[O-]	REAL300007939907	0	49	-1.0	-70.52	386.87	9.28	-61.24
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007939908	0	53	-1.0	-53.85	428.43	7.73	-46.12
CCC(CC)CCCN(C)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007939909	0	43	-1.0	-53.17	358.46	6.92	-46.25
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007939910	0	49	-1.0	-56.60	401.70	10.10	-46.50
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300007939911	0	49	-1.0	-55.44	380.77	8.74	-46.70
CCC(CC)CCCN(C)S(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007939912	0	49	-1.0	-66.96	392.01	10.45	-56.51
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007939913	0	49	-1.0	-48.77	391.48	8.71	-40.06
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)C([N+](=O)[O-])=C1	REAL300007939914	0	51	-1.0	-41.97	411.56	9.03	-32.94
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007939915	0	43	-1.0	-48.63	353.71	6.08	-42.55
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007939916	0	49	-1.0	-52.47	392.80	8.76	-43.71
CCC(CC)CCCN(C)S(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300007939917	0	46	-1.0	-53.12	369.15	6.98	-46.14
CCC(CC)CCCN(C)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007939918	0	45	-1.0	-49.21	361.78	6.07	-43.14
CCC(CC)CCCN(C)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007939919	0	42	-1.0	-66.38	349.33	6.16	-60.22
CCC(CC)CCCN(C)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007939920	0	42	-1.0	-54.00	347.49	5.45	-48.55
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007939921	0	45	-1.0	-68.39	355.50	7.30	-61.09
CCC(CC)CCCN(C)S(=O)(=O)CCCCCC(=O)[O-]	REAL300007939922	0	51	-1.0	-52.63	401.97	8.25	-44.38
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007939923	0	45	-1.0	-50.15	365.18	6.14	-44.01
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007939924	0	46	-1.0	-46.73	386.04	8.43	-38.30
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(OC)C(C(=O)[O-])=C1	REAL300007939925	0	50	-1.0	-58.26	396.00	8.03	-50.23
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C)=C1	REAL300007939926	0	49	-1.0	-47.63	387.95	8.60	-39.03
CCC(CC)CCCN(C)S(=O)(=O)N(C)CCC(=O)[O-]	REAL300007939927	0	47	-1.0	-45.98	363.48	5.99	-39.99
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007939928	0	51	-1.0	-51.76	395.32	8.07	-43.69
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(COC)=CC(C(=O)[O-])=C1	REAL300007939929	0	53	-1.0	-53.85	428.43	7.73	-46.12
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007939930	0	46	-1.0	-46.73	386.04	8.43	-38.30
CCC(CC)CCCN(C)S(=O)(=O)C1=C(C(=O)[O-])SC=C1C	REAL300007939931	0	46	-1.0	-50.41	360.55	8.10	-42.31
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(Cl)=C1C	REAL300007939932	0	49	-1.0	-50.44	389.36	8.78	-41.66
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])=C(C)C2=C1	REAL300007939933	0	52	-1.0	-51.24	417.58	9.34	-41.90
CCC(CC)CCCN(C)S(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007939934	0	49	-1.0	-57.25	396.05	8.82	-48.43
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1OC	REAL300007939935	0	50	-1.0	-55.25	391.07	7.83	-47.42
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C)C(C(=O)[O-])=C1	REAL300007939936	0	49	-1.0	-51.72	384.94	8.52	-43.20
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C	REAL300007939937	0	49	-1.0	-56.27	379.31	8.49	-47.78
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(F)=C1OC	REAL300007939938	0	50	-1.0	-46.13	401.91	8.16	-37.97
CCC(CC)CCCN(C)S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007939939	0	49	-1.0	-46.85	377.60	7.82	-39.03
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007939940	0	49	-1.0	-52.47	392.80	8.76	-43.71
CCC(CC)CCCN(C)S(=O)(=O)C1=C(OC)C=C(C(=O)[O-])S1	REAL300007939941	0	47	-1.0	-47.37	391.21	6.52	-40.85
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007939942	0	51	-1.0	-48.59	405.53	8.64	-39.95
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007939943	0	49	-1.0	-46.73	402.90	8.88	-37.85
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007939944	0	53	-1.0	-52.69	415.44	9.81	-42.88
CCC1=C(S(=O)(=O)N(C)CCCC(CC)CC)C=C(C(=O)[O-])O1	REAL300007939945	0	49	-1.0	-50.54	394.70	7.89	-42.65
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007939946	0	48	-1.0	-60.89	391.21	9.77	-51.12
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007939947	0	49	-1.0	-51.58	404.44	9.39	-42.19
CCC(CC)CCCN(C)S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007939948	0	48	-1.0	-51.84	388.73	9.81	-42.03
CCC(CC)CCCN(C)S(=O)(=O)C1=CN=C(C)C(C(=O)[O-])=C1	REAL300007939949	0	48	-1.0	-46.29	379.93	6.65	-39.64
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1OC	REAL300007939950	0	50	-1.0	-48.20	395.16	7.95	-40.25
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(OC)=C1	REAL300007939951	0	50	-1.0	-53.44	400.04	8.14	-45.30
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(OC)C=C1CC(=O)[O-]	REAL300007939952	0	53	-1.0	-65.10	415.04	8.65	-56.45
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007939953	0	49	-1.0	-47.78	396.31	8.78	-39.00
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007939954	0	49	-1.0	-45.82	411.46	9.05	-36.77
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007939955	0	55	-1.0	-50.52	425.53	9.66	-40.86
CCC(CC)CCCN(C)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007939956	0	46	-1.0	-51.65	358.95	6.25	-45.40
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007939957	0	52	-1.0	-53.77	400.66	10.18	-43.59
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300007939958	0	46	-1.0	-50.72	375.49	7.04	-43.68
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007939959	0	46	-1.0	-50.09	381.23	8.36	-41.73
CCC(CC)CCCN(C)S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007939960	0	43	-1.0	-61.80	354.11	6.48	-55.32
CCC(CC)CCCN(C)S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007939961	0	46	-1.0	-41.92	346.36	6.92	-35.00
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(OC)=CC=C1C(=O)[O-]	REAL300007939962	0	50	-1.0	-63.85	393.97	8.58	-55.27
CCC(CC)CCCN(C)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007939963	0	43	-1.0	-58.05	350.14	5.01	-53.04
CCC(CC)CCCN(C)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007939964	0	46	-1.0	-51.65	358.95	6.25	-45.40
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1COC	REAL300007939966	0	53	-1.0	-46.83	420.25	8.31	-38.52
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007939967	0	45	-1.0	-50.24	369.74	6.16	-44.08
CCC(CC)CCCN(C)S(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007939968	0	49	-1.0	-54.71	380.16	9.06	-45.65
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007939969	0	43	-1.0	-45.50	368.36	6.62	-38.88
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007939970	0	52	-1.0	-52.66	403.56	10.27	-42.39
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)N(C)CCCC(CC)CC	REAL300007939971	0	53	-1.0	-54.90	412.70	8.75	-46.15
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C(OC)C=C1C(=O)[O-]	REAL300007939972	0	50	-1.0	-68.00	392.45	8.40	-59.60
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007939973	0	45	-1.0	-54.11	368.83	6.29	-47.82
CCC(CC)CCCN(C)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007939974	0	43	-1.0	-43.42	356.25	4.33	-39.09
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007939975	0	46	-1.0	-54.86	371.66	5.68	-49.18
CCC(CC)CCCN(C)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007939976	0	52	-1.0	-51.53	412.42	10.13	-41.40
CCC(CC)CCCN(C)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007939977	0	46	-1.0	-52.19	358.88	7.13	-45.06
CCC(CC)CCCN(C)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007939978	0	49	-1.0	-55.62	372.46	7.57	-48.05
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=C(C)S1	REAL300007939979	0	46	-1.0	-49.12	379.98	7.68	-41.44
CCC(CC)CCCN(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007939980	0	52	-1.0	-71.31	409.79	11.53	-59.78
CCC(CC)CCCN(C)S(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007939981	0	49	-1.0	-42.05	400.41	9.57	-32.48
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007939982	0	49	-1.0	-63.72	382.44	9.15	-54.57
CCC(CC)CCCN(C)S(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007939983	0	46	-1.0	-47.72	399.04	8.52	-39.20
CCC(CC)CCCN(C)S(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007939984	0	49	-1.0	-61.12	400.67	6.67	-54.45
CCC(CC)CCCN(C)S(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007939985	0	49	-1.0	-44.73	399.36	9.31	-35.42
CCC(CC)CCCN(C)S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007939986	0	46	-1.0	-54.07	369.69	7.44	-46.63
CCC(CC)CCCN(C)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007939987	0	51	-1.0	-51.33	366.18	7.44	-43.89
CCC(CC)CCCN(C)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007939988	0	43	-1.0	-43.42	356.25	4.33	-39.09
CCC(CC)CCCN(C)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007939989	0	48	-1.0	-60.01	369.81	7.01	-53.00
CCC(CC)CCCN(C)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007939990	0	43	-1.0	-58.05	350.14	5.01	-53.04
CCC(CC)CCCN(C)S(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007939991	0	43	-1.0	-55.31	371.33	8.38	-46.93
CCC(CC)CCCN(C)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007939992	0	46	-1.0	-60.12	354.24	7.96	-52.16
CCC(CC)CCCN(C)S(=O)(=O)C1=CN=C(C(=O)[O-])C(C)=C1	REAL300007939993	0	48	-1.0	-50.58	381.55	6.71	-43.87
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007939994	0	49	-1.0	-63.72	382.44	9.15	-54.57
CCOC1=CC=C(S(=O)(=O)N(C)CCCC(CC)CC)C=C1C(=O)[O-]	REAL300007939995	0	53	-1.0	-58.83	421.91	9.04	-49.79
CCC(CC)CCCN(C)S(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007939996	0	53	-1.0	-48.26	418.20	9.95	-38.31
CCC(CC)CCCN(C)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007939997	0	45	-1.0	-59.39	359.70	7.46	-51.93
CCC(CC)CCCN(C)S(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007939998	0	51	-1.0	-54.37	410.46	8.35	-46.02
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC(C3CCC3)C2)C=C1	REAL300007939999	0	42	-1.0	-47.67	341.59	7.64	-40.03
O=C([O-])C1=CC=CC(S(=O)(=O)N2CCCC(C3CCC3)C2)=C1	REAL300007940000	0	42	-1.0	-51.70	341.31	7.63	-44.07
COC1=CC=C(F)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941468	0	34	-1.0	-63.59	293.41	5.18	-58.41
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941469	0	41	-1.0	-64.44	345.63	5.54	-58.90
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C	REAL300007941470	0	41	-1.0	-59.75	352.57	2.01	-57.74
O=C([O-])C12CC(C1)CN2S(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007941471	0	48	-1.0	-54.63	345.61	6.75	-47.88
CC1=NC2=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=CC=C2C=C1	REAL300007941472	0	38	-1.0	-66.93	320.34	6.77	-60.16
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007941473	0	38	-1.0	-70.09	325.75	7.01	-63.08
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007941474	0	41	-1.0	-55.83	332.89	3.53	-52.30
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941475	0	44	-1.0	-63.47	380.91	6.44	-57.03
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941476	0	44	-1.0	-60.61	372.33	6.33	-54.28
CC(COC1CCCC1)CS(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941477	0	46	-1.0	-55.87	362.56	6.44	-49.43
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941478	0	37	-1.0	-58.13	332.08	5.55	-52.58
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007941479	0	38	-1.0	-54.88	313.78	2.74	-52.14
COC1=CC(Br)=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941480	0	34	-1.0	-56.82	310.13	5.09	-51.73
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007941481	0	34	-1.0	-60.64	303.25	5.45	-55.19
COC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1[N+](=O)[O-]	REAL300007941482	0	36	-1.0	-48.75	310.59	5.76	-42.99
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941483	0	36	-1.0	-56.59	318.23	6.50	-50.09
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941484	0	36	-1.0	-56.58	305.45	6.57	-50.01
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1C(F)(F)F	REAL300007941485	0	36	-1.0	-49.87	309.62	6.53	-43.34
CC(C)C1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941486	0	39	-1.0	-59.49	304.79	6.60	-52.89
CCOC1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941487	0	37	-1.0	-56.10	310.16	5.31	-50.79
COCCN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=N1	REAL300007941488	0	37	-1.0	-58.94	321.25	2.84	-56.10
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007941489	0	37	-1.0	-58.33	323.70	5.69	-52.64
CCCCCCCCN1N=C(C)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1C	REAL300007941490	0	57	-1.0	-56.71	438.00	9.25	-47.46
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007941491	0	38	-1.0	-54.93	335.25	7.27	-47.66
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007941492	0	35	-1.0	-61.97	300.77	5.54	-56.43
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007941493	0	33	-1.0	-58.24	306.84	6.44	-51.80
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=CC=C1Br	REAL300007941494	0	33	-1.0	-55.77	302.36	6.38	-49.39
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007941495	0	37	-1.0	-78.18	319.67	2.90	-75.28
CC1=CC(Br)=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941496	0	33	-1.0	-55.29	306.57	6.53	-48.76
CC1=C(Br)C=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941497	0	33	-1.0	-50.01	285.60	6.19	-43.82
COCC1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941498	0	37	-1.0	-53.50	298.47	4.89	-48.61
COC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1Br	REAL300007941499	0	34	-1.0	-49.89	305.13	4.98	-44.91
COC1=CC(OC)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Cl	REAL300007941500	0	38	-1.0	-61.30	333.50	4.81	-56.49
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007941501	0	33	-1.0	-59.19	299.72	4.05	-55.14
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007941502	0	33	-1.0	-58.64	300.57	4.08	-54.56
CC1(C)CC2=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=CC=C2O1	REAL300007941503	0	41	-1.0	-57.64	335.95	6.34	-51.30
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007941504	0	33	-1.0	-51.34	301.24	4.17	-47.17
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941505	0	42	-1.0	-61.34	362.99	4.38	-56.96
CSC1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941506	0	34	-1.0	-62.77	294.36	5.97	-56.80
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1F	REAL300007941507	0	38	-1.0	-55.59	333.40	1.72	-53.87
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941508	0	41	-1.0	-60.66	328.30	5.05	-55.61
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1F	REAL300007941509	0	41	-1.0	-54.50	354.87	2.61	-51.89
CCC1=CC=C(CS(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941510	0	39	-1.0	-57.81	328.43	7.26	-50.55
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCC1=CC=CS1	REAL300007941511	0	33	-1.0	-55.90	297.24	5.67	-50.23
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007941512	0	45	-1.0	-49.50	368.95	5.45	-44.05
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007941513	0	42	-1.0	-63.85	350.76	4.51	-59.34
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941514	0	39	-1.0	-56.31	337.22	3.44	-52.87
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941515	0	40	-1.0	-74.50	347.82	2.65	-71.85
CC1=CC=C(CS(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C	REAL300007941516	0	39	-1.0	-59.11	323.95	7.02	-52.09
CCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Br	REAL300007941517	0	37	-1.0	-55.08	326.81	5.91	-49.17
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C1=CC=CC=C1	REAL300007941518	0	44	-1.0	-65.10	371.81	8.31	-56.79
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007941519	0	34	-1.0	-59.59	313.57	5.90	-53.69
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007941520	0	36	-1.0	-55.47	339.80	3.29	-52.18
COC1=CC=C(Br)C(CS(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941521	0	37	-1.0	-54.92	327.32	5.53	-49.39
CC1(C)CN(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)CCO1	REAL300007941522	0	39	-1.0	-53.01	297.58	3.05	-49.96
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C2S1	REAL300007941523	0	44	-1.0	-54.33	368.06	6.97	-47.36
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941524	0	37	-1.0	-60.80	327.51	6.12	-54.68
CC(C)N1N=CC2=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=CC=C21	REAL300007941525	0	42	-1.0	-53.87	345.76	6.56	-47.31
CCS(=O)(=O)NCCS(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941526	0	37	-1.0	-56.07	325.63	-0.15	-56.22
CC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)OC2=CC=C(F)C=C12	REAL300007941527	0	36	-1.0	-58.95	311.89	6.86	-52.09
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007941528	0	33	-1.0	-54.32	314.37	7.01	-47.31
CC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=CC(Cl)=CC=C2S1	REAL300007941529	0	36	-1.0	-56.93	318.18	7.76	-49.17
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007941530	0	33	-1.0	-55.30	310.50	6.93	-48.37
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007941531	0	36	-1.0	-58.65	313.73	7.64	-51.01
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007941532	0	36	-1.0	-59.10	320.33	6.94	-52.16
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007941533	0	41	-1.0	-57.02	342.90	6.42	-50.60
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007941534	0	44	-1.0	-59.71	374.11	8.48	-51.23
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941535	0	43	-1.0	-63.29	366.74	6.73	-56.56
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007941536	0	41	-1.0	-60.36	359.74	2.24	-58.12
CC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=CC=CC(C)=C2S1	REAL300007941537	0	39	-1.0	-59.92	323.60	7.82	-52.10
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1N(C)C	REAL300007941538	0	41	-1.0	-52.50	329.66	5.67	-46.83
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCC1=CC=CC=C1Br	REAL300007941539	0	36	-1.0	-56.76	323.23	7.03	-49.73
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=C2OCCCN2N=C1	REAL300007941540	0	35	-1.0	-61.85	299.96	2.07	-59.78
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCOCC1CCCC1	REAL300007941541	0	43	-1.0	-54.35	346.49	5.54	-48.81
COC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Cl	REAL300007941542	0	37	-1.0	-56.95	312.77	5.51	-51.44
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941543	0	39	-1.0	-70.84	346.24	3.33	-67.51
CSC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Cl	REAL300007941544	0	34	-1.0	-48.58	310.25	6.49	-42.09
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941545	0	42	-1.0	-52.82	333.79	5.72	-47.10
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007941546	0	38	-1.0	-56.35	329.67	3.65	-52.70
CCC1=NOC2=NC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C12	REAL300007941547	0	37	-1.0	-53.95	316.32	2.71	-51.24
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007941548	0	41	-1.0	-48.21	351.61	4.85	-43.36
CN1N=CC2=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=CN=C21	REAL300007941549	0	35	-1.0	-52.71	302.87	4.22	-48.49
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007941550	0	36	-1.0	-58.95	330.87	8.13	-50.82
CCC1=CC(CC)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(CC)=C1	REAL300007941551	0	48	-1.0	-60.06	359.74	9.71	-50.35
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN2CCCCC2=N1	REAL300007941552	0	37	-1.0	-62.29	309.48	5.21	-57.08
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007941553	0	36	-1.0	-53.43	328.27	3.27	-50.16
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007941554	0	39	-1.0	-63.51	319.68	8.54	-54.97
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C)=C1F	REAL300007941555	0	37	-1.0	-50.62	302.20	5.02	-45.60
CC1(CS(=O)(=O)N2CC3CC2(C(=O)[O-])C3)CCCCC1	REAL300007941556	0	42	-1.0	-56.33	311.64	6.57	-49.76
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007941557	0	39	-1.0	-58.54	320.42	6.64	-51.90
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007941559	0	38	-1.0	-55.26	327.72	6.35	-48.91
COCC1=CC(Cl)=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941560	0	37	-1.0	-55.55	331.14	5.39	-50.16
CC1=CC=C(CS(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(F)=C1	REAL300007941561	0	36	-1.0	-63.38	312.25	6.53	-56.85
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007941563	0	30	-1.0	-46.33	288.08	5.22	-41.11
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007941564	0	43	-1.0	-59.12	349.04	8.33	-50.79
CC(C)(C)C1=CC(CS(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=NO1	REAL300007941565	0	41	-1.0	-63.69	343.67	5.82	-57.87
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007941566	0	39	-1.0	-63.07	320.95	2.32	-60.75
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007941567	0	33	-1.0	-53.28	295.28	5.55	-47.73
CC1=C(CCS(=O)(=O)N2CC3CC2(C(=O)[O-])C3)SC=N1	REAL300007941568	0	35	-1.0	-54.86	311.01	4.34	-50.52
COC1=CC=C2C=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)CCC2=C1	REAL300007941569	0	42	-1.0	-58.85	342.81	6.88	-51.97
CC(C)(CCS(=O)(=O)N1CC2CC1(C(=O)[O-])C2)S(C)(=O)=O	REAL300007941570	0	41	-1.0	-75.12	335.03	2.21	-72.91
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1CCCCC1(F)F	REAL300007941571	0	39	-1.0	-55.97	313.90	6.25	-49.72
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C12	REAL300007941572	0	45	-1.0	-52.21	378.46	8.27	-43.94
O=C([O-])C12CC(C1)CN2S(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007941573	0	37	-1.0	-58.82	314.22	7.29	-51.53
CCC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1[N+](=O)[O-]	REAL300007941574	0	38	-1.0	-63.91	317.15	6.83	-57.08
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007941575	0	30	-1.0	-53.77	276.06	5.68	-48.09
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(Br)C=C1	REAL300007941576	0	30	-1.0	-53.72	280.63	5.78	-47.94
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007941577	0	32	-1.0	-51.78	287.56	5.83	-45.95
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007941578	0	36	-1.0	-62.92	309.62	7.53	-55.39
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007941579	0	32	-1.0	-49.57	287.03	5.76	-43.81
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941580	0	35	-1.0	-62.93	295.23	6.33	-56.60
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007941581	0	32	-1.0	-75.95	282.54	6.36	-69.59
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941582	0	37	-1.0	-61.71	330.30	6.67	-55.04
CCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941583	0	37	-1.0	-56.23	310.69	5.37	-50.86
CC1=CC(C)=C(C)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1C	REAL300007941584	0	42	-1.0	-53.47	314.68	7.55	-45.92
CC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C)=C1	REAL300007941585	0	39	-1.0	-51.15	300.04	7.00	-44.15
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941586	0	45	-1.0	-58.20	343.19	7.99	-50.21
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007941587	0	33	-1.0	-51.40	297.87	6.10	-45.30
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007941588	0	33	-1.0	-48.94	272.22	6.16	-42.78
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007941589	0	30	-1.0	-54.19	271.79	5.54	-48.65
CC(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941590	0	35	-1.0	-54.90	300.56	5.57	-49.33
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1[N+](=O)[O-]	REAL300007941591	0	36	-1.0	-64.04	310.56	5.76	-58.28
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941592	0	42	-1.0	-57.83	335.54	7.48	-50.35
CC(C)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941593	0	39	-1.0	-57.79	319.56	7.09	-50.70
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941594	0	41	-1.0	-59.15	354.08	3.20	-55.95
CCCC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941595	0	39	-1.0	-57.92	323.72	7.38	-50.54
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Br	REAL300007941596	0	34	-1.0	-48.98	304.95	4.99	-43.99
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1Br	REAL300007941597	0	33	-1.0	-50.25	294.55	6.20	-44.05
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)=C1	REAL300007941598	0	44	-1.0	-52.77	365.72	8.56	-44.21
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007941599	0	34	-1.0	-52.01	305.32	4.95	-47.06
CC1=C(C)C(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C)=C1C	REAL300007941600	0	45	-1.0	-54.86	325.41	7.96	-46.90
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007941601	0	39	-1.0	-60.96	321.34	5.04	-55.92
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941602	0	46	-1.0	-64.87	363.33	7.45	-57.42
CN1C=C(Br)C2=CC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C21	REAL300007941603	0	37	-1.0	-58.03	330.47	7.41	-50.62
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1[N+](=O)[O-]	REAL300007941604	0	35	-1.0	-50.89	305.59	6.32	-44.57
COC1=CC=C(Br)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941605	0	34	-1.0	-61.97	308.32	5.73	-56.24
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941606	0	48	-1.0	-52.33	356.47	8.78	-43.55
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007941607	0	33	-1.0	-52.27	297.04	6.07	-46.20
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007941608	0	40	-1.0	-56.10	317.79	7.51	-48.59
COC1=CC=C(OC)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941609	0	38	-1.0	-67.08	316.61	4.42	-62.66
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1OC	REAL300007941610	0	38	-1.0	-52.48	313.78	4.22	-48.26
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007941611	0	37	-1.0	-56.42	300.61	6.93	-49.49
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007941612	0	38	-1.0	-57.96	313.67	7.40	-50.56
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007941613	0	35	-1.0	-54.25	290.98	4.87	-49.38
CC(C)CCC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941614	0	45	-1.0	-57.81	362.79	8.67	-49.14
CCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1OCC	REAL300007941615	0	44	-1.0	-55.35	357.50	6.06	-49.29
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941616	0	35	-1.0	-60.14	313.51	0.12	-60.02
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1C	REAL300007941617	0	38	-1.0	-56.91	325.70	6.75	-50.16
CC1=CC2=CC=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=C2N=C1	REAL300007941618	0	38	-1.0	-63.77	321.15	6.55	-57.22
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C([N+](=O)[O-])=C1	REAL300007941619	0	36	-1.0	-48.86	298.55	5.30	-43.56
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941620	0	34	-1.0	-55.58	304.75	5.47	-50.11
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941621	0	35	-1.0	-54.38	309.23	-0.02	-54.40
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007941622	0	42	-1.0	-56.73	367.83	2.94	-53.79
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941623	0	38	-1.0	-60.40	331.16	6.71	-53.69
O=C([O-])C12CC(C1)CN2S(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007941624	0	39	-1.0	-57.13	315.06	6.37	-50.76
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=CC=CN=C12	REAL300007941625	0	38	-1.0	-60.02	314.50	6.08	-53.94
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C	REAL300007941626	0	38	-1.0	-52.62	308.94	7.28	-45.34
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941627	0	41	-1.0	-54.00	351.38	2.97	-51.03
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007941628	0	42	-1.0	-57.67	349.61	4.59	-53.08
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941629	0	36	-1.0	-57.44	315.75	2.54	-54.90
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007941630	0	40	-1.0	-59.21	322.19	8.45	-50.76
CC1CC(C)CN(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300007941631	0	41	-1.0	-55.84	319.18	5.51	-50.33
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007941632	0	36	-1.0	-62.66	296.61	7.23	-55.43
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007941633	0	40	-1.0	-59.00	333.50	8.57	-50.43
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=CC=C12	REAL300007941634	0	44	-1.0	-59.05	350.45	6.98	-52.07
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007941635	0	31	-1.0	-53.67	282.35	3.43	-50.24
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941636	0	34	-1.0	-62.15	303.75	5.63	-56.52
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941637	0	45	-1.0	-57.59	349.77	7.95	-49.64
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Cl	REAL300007941638	0	33	-1.0	-50.18	290.66	6.13	-44.05
CC(C)OC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941639	0	40	-1.0	-54.06	323.91	5.85	-48.21
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=NON=C21	REAL300007941640	0	31	-1.0	-53.84	277.26	4.07	-49.77
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007941641	0	35	-1.0	-44.06	307.82	7.01	-37.05
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007941642	0	35	-1.0	-66.40	298.76	6.18	-60.22
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007941643	0	41	-1.0	-55.38	360.57	8.41	-46.97
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941644	0	36	-1.0	-50.58	312.73	5.61	-44.97
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1F	REAL300007941645	0	34	-1.0	-48.60	290.76	4.39	-44.21
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007941646	0	41	-1.0	-54.38	363.92	8.38	-46.00
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)C=C1	REAL300007941647	0	45	-1.0	-56.19	376.69	7.16	-49.03
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C(C)C)=C1	REAL300007941648	0	57	-1.0	-58.19	419.11	11.11	-47.08
CC(C)OC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=CC=CC=C12	REAL300007941649	0	46	-1.0	-61.07	368.04	7.98	-53.09
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007941650	0	33	-1.0	-51.75	317.46	6.79	-44.96
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=CC=CC=C12	REAL300007941651	0	40	-1.0	-61.14	327.51	6.48	-54.66
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941652	0	35	-1.0	-55.20	307.72	6.17	-49.03
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941653	0	35	-1.0	-47.89	289.39	6.13	-41.76
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941654	0	38	-1.0	-61.28	312.21	7.17	-54.11
CC(C)CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941655	0	42	-1.0	-58.14	340.50	7.84	-50.30
COCCC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941656	0	40	-1.0	-57.75	335.90	5.67	-52.08
COCCN(CCOC)S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941657	0	42	-1.0	-53.77	331.87	3.02	-50.75
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941658	0	33	-1.0	-56.25	283.73	6.17	-50.08
COC1=C(C)C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C	REAL300007941659	0	40	-1.0	-57.10	333.20	6.05	-51.05
CC(C)CCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941660	0	46	-1.0	-55.71	371.25	7.48	-48.23
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007941661	0	44	-1.0	-52.67	350.12	7.25	-45.42
CC(C)COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941662	0	43	-1.0	-55.95	352.29	6.87	-49.08
CCCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941663	0	40	-1.0	-56.02	332.19	6.18	-49.84
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Cl	REAL300007941664	0	34	-1.0	-48.88	300.56	4.88	-44.00
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007941665	0	34	-1.0	-53.94	310.47	5.14	-48.80
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C	REAL300007941666	0	37	-1.0	-55.12	304.77	5.05	-50.07
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1OC(C)C	REAL300007941667	0	43	-1.0	-58.28	349.33	6.63	-51.65
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C)=C1	REAL300007941668	0	37	-1.0	-60.93	308.93	4.81	-56.12
COCCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941669	0	41	-1.0	-57.79	344.31	4.65	-53.14
CC1=CC(Br)=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941670	0	33	-1.0	-57.31	300.78	6.12	-51.19
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1C	REAL300007941671	0	38	-1.0	-50.35	304.07	7.52	-42.83
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941672	0	39	-1.0	-61.94	327.71	3.18	-58.76
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007941673	0	42	-1.0	-58.14	367.32	2.92	-55.22
CC1=NC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300007941674	0	32	-1.0	-55.02	288.16	3.68	-51.34
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007941675	0	33	-1.0	-55.00	291.51	6.37	-48.63
COC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1F	REAL300007941676	0	34	-1.0	-50.44	290.93	4.38	-46.06
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007941677	0	40	-1.0	-57.42	333.00	8.50	-48.92
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007941678	0	33	-1.0	-53.39	318.97	6.81	-46.58
CC1=NC(C2=CC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)S2)=CS1	REAL300007941679	0	36	-1.0	-55.49	334.93	5.58	-49.91
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007941680	0	50	-1.0	-57.29	393.89	8.78	-48.51
CNC(=O)C1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CN1C	REAL300007941681	0	38	-1.0	-59.73	327.61	2.91	-56.82
COC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C)=C1	REAL300007941682	0	40	-1.0	-52.15	309.62	5.83	-46.32
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007941683	0	41	-1.0	-56.49	339.27	9.14	-47.35
COC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C	REAL300007941684	0	40	-1.0	-56.83	317.19	5.76	-51.07
CC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=CC=CN=C2C=C1	REAL300007941685	0	38	-1.0	-54.10	299.67	6.03	-48.07
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007941686	0	35	-1.0	-58.61	292.37	5.37	-53.24
CCN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C([N+](=O)[O-])=N1	REAL300007941687	0	35	-1.0	-52.08	309.45	6.05	-46.03
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007941688	0	37	-1.0	-59.08	330.25	5.85	-53.23
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007941689	0	44	-1.0	-58.75	370.58	8.44	-50.31
CCC(=O)C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941690	0	38	-1.0	-69.74	318.15	6.29	-63.45
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007941691	0	40	-1.0	-61.57	347.47	6.79	-54.78
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007941692	0	33	-1.0	-76.95	285.51	4.15	-72.80
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941693	0	52	-1.0	-55.54	397.16	8.13	-47.41
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941694	0	38	-1.0	-58.78	332.07	1.87	-56.91
CCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=CC=CC=C12	REAL300007941695	0	43	-1.0	-60.31	347.18	7.43	-52.88
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941696	0	40	-1.0	-63.29	330.43	6.72	-56.57
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007941697	0	35	-1.0	-55.66	303.34	5.20	-50.46
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007941698	0	37	-1.0	-54.76	319.79	6.17	-48.59
CCOCCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941699	0	44	-1.0	-57.75	366.17	5.61	-52.14
CCCCCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941700	0	46	-1.0	-55.72	375.18	7.74	-47.98
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007941701	0	40	-1.0	-55.99	306.95	7.45	-48.54
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007941702	0	34	-1.0	-51.95	315.70	6.62	-45.33
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2COCC2=C1	REAL300007941703	0	35	-1.0	-55.54	294.47	4.39	-51.15
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007941704	0	38	-1.0	-62.13	323.39	6.43	-55.70
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007941705	0	35	-1.0	-53.64	306.57	5.25	-48.39
CCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C)=C1	REAL300007941706	0	40	-1.0	-53.89	318.60	5.88	-48.01
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007941707	0	34	-1.0	-60.88	296.80	5.38	-55.50
CSC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941708	0	34	-1.0	-55.92	299.53	6.17	-49.75
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007941709	0	36	-1.0	-59.50	324.60	6.84	-52.66
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941710	0	41	-1.0	-53.55	326.34	6.78	-46.77
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007941711	0	36	-1.0	-61.40	301.37	4.93	-56.47
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007941712	0	35	-1.0	-58.24	292.10	5.24	-53.00
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007941713	0	42	-1.0	-58.59	352.58	7.16	-51.43
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(F)(F)F	REAL300007941714	0	36	-1.0	-48.83	309.62	6.54	-42.29
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007941715	0	36	-1.0	-52.70	331.53	5.85	-46.85
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007941716	0	39	-1.0	-55.20	324.40	6.77	-48.43
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C12	REAL300007941717	0	38	-1.0	-57.78	325.93	4.91	-52.87
COCC1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941718	0	37	-1.0	-58.07	313.88	4.81	-53.26
CC1(C)CC2=CC=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=C2O1	REAL300007941719	0	41	-1.0	-59.29	335.32	6.35	-52.94
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=CC=C1Cl	REAL300007941720	0	33	-1.0	-55.94	299.12	6.26	-49.68
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007941721	0	38	-1.0	-52.39	313.41	5.16	-47.23
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007941722	0	33	-1.0	-53.29	306.67	6.65	-46.64
CC1CC2=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=CC=C2O1	REAL300007941723	0	38	-1.0	-54.57	311.92	5.63	-48.94
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941724	0	42	-1.0	-59.59	311.69	8.32	-51.27
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941725	0	42	-1.0	-60.07	339.50	3.79	-56.28
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007941726	0	41	-1.0	-56.48	363.93	8.39	-48.09
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007941727	0	36	-1.0	-55.80	326.59	5.88	-49.92
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007941728	0	36	-1.0	-52.43	341.86	6.30	-46.13
CC1=NC(C2=CC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)=CO1	REAL300007941729	0	39	-1.0	-57.71	334.71	4.14	-53.57
CN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C(F)(F)F)=N1	REAL300007941730	0	33	-1.0	-47.79	290.47	3.59	-44.20
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007941731	0	33	-1.0	-62.77	288.69	5.94	-56.83
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007941732	0	33	-1.0	-49.85	281.10	3.68	-46.17
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007941733	0	38	-1.0	-53.97	308.77	5.65	-48.32
CC1=CC=C(N2C=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=N2)C=C1	REAL300007941734	0	40	-1.0	-55.37	343.40	7.02	-48.35
CC1CC2=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=CC(Cl)=C2O1	REAL300007941735	0	38	-1.0	-61.11	337.44	6.36	-54.75
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1[N+](=O)[O-]	REAL300007941736	0	35	-1.0	-47.42	299.35	6.21	-41.21
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=N1	REAL300007941737	0	41	-1.0	-62.19	343.47	5.75	-56.44
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007941738	0	32	-1.0	-57.96	290.52	4.56	-53.40
CN(C)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941739	0	38	-1.0	-59.97	310.81	5.56	-54.41
CC1=CC2=CC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C2C=C1	REAL300007941740	0	39	-1.0	-62.27	330.96	8.18	-54.09
COC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)SC=C1	REAL300007941741	0	31	-1.0	-56.17	274.17	4.39	-51.78
CN(C)C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941742	0	38	-1.0	-55.65	306.57	5.42	-50.23
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007941743	0	35	-1.0	-62.72	296.51	5.14	-57.58
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007941744	0	35	-1.0	-55.68	308.90	5.16	-50.52
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007941745	0	35	-1.0	-57.00	295.10	5.01	-51.99
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007941746	0	36	-1.0	-53.93	323.77	7.12	-46.81
CN1CCCC2=CC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C21	REAL300007941747	0	42	-1.0	-58.71	332.71	5.64	-53.07
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007941748	0	32	-1.0	-54.27	294.03	4.40	-49.87
COC1=CC=CC(OC)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941749	0	38	-1.0	-61.47	311.81	5.76	-55.71
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941750	0	38	-1.0	-58.67	324.44	6.75	-51.92
CC1=CC=C(C)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1[N+](=O)[O-]	REAL300007941751	0	38	-1.0	-67.83	303.32	7.82	-60.01
CC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1[N+](=O)[O-]	REAL300007941752	0	38	-1.0	-64.54	314.10	7.01	-57.53
COC1=CC=C(CCS(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941753	0	40	-1.0	-55.84	336.54	5.90	-49.94
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300007941754	0	39	-1.0	-53.04	328.49	6.68	-46.36
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007941755	0	37	-1.0	-57.48	307.53	7.18	-50.30
COC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC(OC)=C1	REAL300007941756	0	38	-1.0	-61.29	318.60	3.78	-57.51
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCC1CCCCC1	REAL300007941757	0	42	-1.0	-55.04	327.79	6.76	-48.28
CC1=CC2=C(C=C1S(=O)(=O)N1CC3CC1(C(=O)[O-])C3)OCO2	REAL300007941758	0	36	-1.0	-57.48	293.70	4.35	-53.13
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007941759	0	33	-1.0	-61.84	288.73	5.58	-56.26
COC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1Cl	REAL300007941760	0	34	-1.0	-50.11	300.74	4.87	-45.24
CC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=NC=CC=C2C=C1	REAL300007941761	0	38	-1.0	-69.63	306.60	7.15	-62.48
CCC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1CC	REAL300007941762	0	42	-1.0	-55.11	332.26	7.58	-47.53
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941763	0	38	-1.0	-47.30	308.38	7.21	-40.09
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941764	0	40	-1.0	-58.20	318.60	6.86	-51.34
CC1=C(C)SC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941765	0	33	-1.0	-57.40	294.19	5.62	-51.78
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941766	0	31	-1.0	-51.90	276.33	2.95	-48.95
CCC1=NC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300007941767	0	32	-1.0	-53.64	285.65	3.58	-50.06
CN(C)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=N1	REAL300007941768	0	37	-1.0	-59.94	307.78	4.88	-55.06
CC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300007941769	0	33	-1.0	-56.32	292.78	5.70	-50.62
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007941770	0	36	-1.0	-57.94	298.25	6.77	-51.17
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007941771	0	33	-1.0	-58.22	287.11	3.92	-54.30
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC(C)=C1F	REAL300007941772	0	36	-1.0	-54.11	306.65	6.51	-47.60
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007941773	0	37	-1.0	-72.23	319.66	5.00	-67.23
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007941774	0	32	-1.0	-62.61	294.46	4.68	-57.93
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007941775	0	33	-1.0	-54.72	302.27	6.34	-48.38
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1Cl	REAL300007941776	0	33	-1.0	-50.20	290.52	6.11	-44.09
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007941777	0	36	-1.0	-72.55	306.64	6.06	-66.49
CC1=CSC(C2=CC=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=C2)=N1	REAL300007941778	0	39	-1.0	-59.06	344.56	6.55	-52.51
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007941779	0	38	-1.0	-61.77	311.60	6.34	-55.43
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007941780	0	37	-1.0	-64.47	323.62	2.96	-61.51
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007941781	0	39	-1.0	-54.70	317.94	5.33	-49.37
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007941782	0	33	-1.0	-52.79	302.70	6.24	-46.55
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941783	0	55	-1.0	-55.84	439.68	10.08	-45.76
CCC(C)OC1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941784	0	43	-1.0	-55.70	349.47	6.78	-48.92
COC(CS(=O)(=O)N1CC2CC1(C(=O)[O-])C2)C1CCCC1	REAL300007941785	0	43	-1.0	-53.36	335.99	5.43	-47.93
COC(CS(=O)(=O)N1CC2CC1(C(=O)[O-])C2)C1CCCCC1	REAL300007941786	0	46	-1.0	-56.82	348.00	6.36	-50.46
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007941787	0	44	-1.0	-58.25	372.52	8.37	-49.88
CCOC(CS(=O)(=O)N1CC2CC1(C(=O)[O-])C2)C1CC1	REAL300007941788	0	40	-1.0	-59.50	331.38	5.23	-54.27
CCCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(C)C	REAL300007941789	0	49	-1.0	-54.67	386.65	8.07	-46.60
CCC1=NC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CN1CC1CC1	REAL300007941790	0	43	-1.0	-70.82	356.96	7.06	-63.76
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007941791	0	33	-1.0	-54.14	295.40	4.50	-49.64
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C)=C1[N+](=O)[O-]	REAL300007941792	0	38	-1.0	-48.13	316.00	7.28	-40.85
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941793	0	37	-1.0	-48.93	295.79	4.42	-44.51
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007941794	0	43	-1.0	-51.33	353.54	7.27	-44.06
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941795	0	33	-1.0	-51.67	300.60	3.68	-47.99
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007941796	0	41	-1.0	-61.55	359.43	9.19	-52.36
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007941797	0	40	-1.0	-64.72	321.62	8.35	-56.37
CCC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C(C)C=C1OC	REAL300007941798	0	43	-1.0	-57.10	338.62	6.51	-50.59
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007941799	0	36	-1.0	-52.72	330.54	7.04	-45.68
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=N1	REAL300007941800	0	32	-1.0	-62.63	288.95	4.25	-58.38
CC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=CC=CC=C2C=C1	REAL300007941801	0	39	-1.0	-55.85	304.32	7.91	-47.94
CC(C)OC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=N1	REAL300007941802	0	39	-1.0	-55.38	327.69	3.64	-51.74
COC1=C(F)C=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941803	0	34	-1.0	-54.38	291.42	5.39	-48.99
CCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(C)C	REAL300007941804	0	46	-1.0	-55.22	365.15	7.27	-47.95
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1F	REAL300007941805	0	42	-1.0	-49.51	333.42	7.27	-42.24
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007941806	0	49	-1.0	-57.33	387.40	9.63	-47.70
CN1N=C2CCCCC2=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941807	0	40	-1.0	-50.40	311.82	5.00	-45.40
CN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C(C)(C)C)=N1	REAL300007941808	0	42	-1.0	-55.81	330.48	5.44	-50.37
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007941809	0	40	-1.0	-59.16	328.97	5.58	-53.58
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941810	0	33	-1.0	-58.60	291.85	3.84	-54.76
COC1=CC=C(F)C=C1CS(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941811	0	37	-1.0	-57.13	320.10	5.23	-51.90
C=CCCC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941812	0	40	-1.0	-58.14	336.53	7.94	-50.20
CCCCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(C)C	REAL300007941813	0	52	-1.0	-52.16	408.01	8.85	-43.31
O=C([O-])C12CC(C1)CN2S(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007941814	0	34	-1.0	-52.97	308.58	6.90	-46.07
CCCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(C)(C)C	REAL300007941815	0	52	-1.0	-57.73	402.58	8.83	-48.90
CCCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1CC	REAL300007941816	0	46	-1.0	-54.70	369.75	7.53	-47.17
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941817	0	36	-1.0	-48.95	296.89	7.04	-41.91
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941818	0	36	-1.0	-55.19	322.66	7.01	-48.18
O=C([O-])C12CC(C1)CN2S(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007941819	0	34	-1.0	-54.76	306.09	6.80	-47.96
CCCC1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941820	0	39	-1.0	-55.12	305.76	7.28	-47.84
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941821	0	46	-1.0	-51.02	365.32	7.52	-43.50
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007941822	0	35	-1.0	-59.58	291.86	5.38	-54.20
CC1=CSC(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941823	0	33	-1.0	-48.18	272.09	5.39	-42.79
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007941824	0	37	-1.0	-50.39	305.70	4.70	-45.69
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=NN1C1CCC1	REAL300007941825	0	37	-1.0	-57.73	311.99	5.00	-52.73
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007941826	0	40	-1.0	-56.15	330.34	5.60	-50.55
CC1(C)COC2=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=NN2C1	REAL300007941827	0	41	-1.0	-61.36	338.12	3.16	-58.20
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007941828	0	36	-1.0	-55.55	322.42	5.91	-49.64
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN=C2CCCCN12	REAL300007941829	0	37	-1.0	-59.93	307.91	5.22	-54.71
CCCCCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(C)C	REAL300007941830	0	55	-1.0	-52.08	429.51	9.63	-42.45
COC1=CC(C(C)C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C	REAL300007941831	0	46	-1.0	-57.54	351.05	6.71	-50.83
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941832	0	40	-1.0	-59.11	330.18	6.52	-52.59
CCOCCOC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C(C)C	REAL300007941833	0	53	-1.0	-57.31	420.63	7.49	-49.82
CC1CC2=CC=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=C2O1	REAL300007941834	0	38	-1.0	-60.72	318.43	5.73	-54.99
CC(C)(C)C1=NC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300007941835	0	38	-1.0	-50.34	324.98	4.73	-45.61
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007941836	0	36	-1.0	-57.26	308.98	5.68	-51.58
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941837	0	35	-1.0	-66.39	299.47	5.23	-61.16
O=C([O-])C12CC(C1)CN2S(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007941838	0	39	-1.0	-56.93	305.38	5.16	-51.77
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007941839	0	31	-1.0	-47.87	273.33	3.88	-43.99
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007941840	0	33	-1.0	-57.68	299.17	6.63	-51.05
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941841	0	37	-1.0	-52.79	308.24	4.70	-48.09
CC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C)=C1F	REAL300007941842	0	39	-1.0	-53.10	303.94	7.13	-45.97
COC1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1OC	REAL300007941843	0	38	-1.0	-58.34	314.31	5.14	-53.20
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=COC2=CC=CC=C21	REAL300007941844	0	33	-1.0	-57.62	289.78	5.48	-52.14
CN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C2CCCC2)=N1	REAL300007941845	0	43	-1.0	-55.42	345.37	5.81	-49.61
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941846	0	42	-1.0	-59.38	333.95	5.55	-53.83
CCCCN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C)=N1	REAL300007941847	0	42	-1.0	-52.50	345.01	5.81	-46.69
CN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C2CC2)=N1	REAL300007941848	0	37	-1.0	-57.71	312.39	4.98	-52.73
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007941849	0	34	-1.0	-60.38	298.59	4.73	-55.65
CN1N=NC2=C(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)C=CC=C21	REAL300007941850	0	35	-1.0	-58.70	302.31	3.52	-55.18
CC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1Br	REAL300007941851	0	36	-1.0	-56.25	307.33	6.88	-49.37
CC1(C)CCCN(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300007941852	0	41	-1.0	-53.77	302.71	5.48	-48.29
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007941853	0	36	-1.0	-50.60	327.51	6.12	-44.48
CN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C2CCC2)=N1	REAL300007941854	0	40	-1.0	-56.65	326.33	5.35	-51.30
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941855	0	48	-1.0	-61.46	365.17	8.53	-52.93
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007941856	0	36	-1.0	-47.61	326.28	6.89	-40.72
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007941857	0	40	-1.0	-60.16	333.22	5.70	-54.46
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007941858	0	34	-1.0	-60.18	303.44	6.29	-53.89
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007941859	0	41	-1.0	-61.49	357.35	8.14	-53.35
COC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=NC=CC=C2C=C1	REAL300007941860	0	39	-1.0	-66.36	323.57	6.45	-59.91
CCCC1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941861	0	39	-1.0	-57.15	323.20	7.30	-49.85
CN1N=C2CCCC2=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941862	0	37	-1.0	-52.59	297.21	4.34	-48.25
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941863	0	39	-1.0	-53.88	309.63	4.82	-49.06
CC(C)(C)N1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=N1	REAL300007941864	0	39	-1.0	-52.92	323.74	4.77	-48.15
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CNN=C1C1CCC1	REAL300007941865	0	37	-1.0	-53.19	306.03	4.02	-49.17
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CN=C1C(F)(F)F	REAL300007941866	0	35	-1.0	-54.52	309.59	4.91	-49.61
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007941867	0	33	-1.0	-54.02	309.00	6.32	-47.70
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941868	0	41	-1.0	-69.55	339.63	7.05	-62.50
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007941869	0	41	-1.0	-59.98	328.78	8.04	-51.94
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007941870	0	36	-1.0	-54.25	321.75	6.03	-48.22
O=C([O-])C12CC(C1)CN2S(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007941871	0	36	-1.0	-56.83	301.47	5.53	-51.30
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941872	0	40	-1.0	-54.60	355.53	5.93	-48.67
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007941873	0	30	-1.0	-46.37	268.77	5.08	-41.29
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007941874	0	37	-1.0	-53.88	304.42	7.12	-46.76
COC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=CS1	REAL300007941875	0	31	-1.0	-60.51	282.87	3.76	-56.75
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007941876	0	40	-1.0	-58.14	329.50	5.72	-52.42
CCC(C)N1N=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941877	0	39	-1.0	-51.58	316.71	4.94	-46.64
CN(C1CCCCCC1)S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941878	0	44	-1.0	-57.98	328.27	6.12	-51.86
CN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C2CCOCC2)=N1	REAL300007941879	0	44	-1.0	-53.24	353.74	4.14	-49.10
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941880	0	36	-1.0	-53.82	312.03	6.62	-47.20
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007941881	0	34	-1.0	-56.43	294.30	4.60	-51.83
O=C([O-])C12CC(C1)CN2S(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007941882	0	45	-1.0	-55.11	354.90	7.72	-47.39
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)S1	REAL300007941883	0	31	-1.0	-52.12	279.27	3.48	-48.64
CC1=CC(C)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=NC=CC=C12	REAL300007941884	0	41	-1.0	-69.26	326.40	7.43	-61.83
O=C([O-])C12CC(C1)CN2S(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007941885	0	38	-1.0	-54.27	314.90	5.24	-49.03
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN(CCF)N=C1	REAL300007941886	0	33	-1.0	-58.68	294.16	3.92	-54.76
CCOCC1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941887	0	40	-1.0	-58.08	335.73	5.78	-52.30
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941888	0	40	-1.0	-55.14	334.45	6.29	-48.85
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007941889	0	43	-1.0	-56.17	342.13	5.94	-50.23
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007941890	0	41	-1.0	-52.93	344.29	7.90	-45.03
CC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC(C)=C1Br	REAL300007941891	0	36	-1.0	-54.78	317.32	6.92	-47.86
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=CC=CC=C12	REAL300007941892	0	39	-1.0	-63.03	317.02	7.66	-55.37
CN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C2=CC=CC=C2)=N1	REAL300007941893	0	40	-1.0	-56.44	338.52	6.43	-50.01
O=C([O-])C12CC(C1)CN2S(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007941894	0	34	-1.0	-50.55	296.59	6.35	-44.20
O=C([O-])C12CC(C1)CN2S(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007941895	0	34	-1.0	-52.88	313.14	6.99	-45.89
O=C([O-])C12CC(C1)CN2S(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007941896	0	34	-1.0	-50.35	311.47	6.91	-43.44
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCC1NC(=O)NC1=O	REAL300007941897	0	35	-1.0	-55.52	303.58	-0.94	-56.46
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007941898	0	33	-1.0	-61.87	282.20	5.39	-56.48
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1CCC(F)(F)CC1	REAL300007941899	0	36	-1.0	-59.16	291.06	5.64	-53.52
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007941900	0	32	-1.0	-60.15	286.05	4.42	-55.73
O=C([O-])C12CC(C1)CN2S(=O)(=O)CCOC1CCOC1	REAL300007941901	0	38	-1.0	-54.01	316.58	2.29	-51.72
CC1=NC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C(C2=CC=CC=C2)O1	REAL300007941902	0	39	-1.0	-61.47	337.13	4.12	-57.35
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007941903	0	47	-1.0	-57.98	339.06	7.97	-50.01
CC1(C)COC(CS(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C1	REAL300007941904	0	40	-1.0	-59.11	325.93	4.28	-54.83
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1CS(=O)(=O)C1	REAL300007941905	0	33	-1.0	-59.84	291.89	0.81	-59.03
CC(C)(CS(=O)(=O)N1CC2CC1(C(=O)[O-])C2)C(C)(F)F	REAL300007941906	0	38	-1.0	-53.01	298.48	5.58	-47.43
CS(=O)(=O)CCCCS(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941907	0	38	-1.0	-64.83	332.26	1.90	-62.93
CC1(C)CCC(CS(=O)(=O)N2CC3CC2(C(=O)[O-])C3)OC1	REAL300007941908	0	43	-1.0	-55.60	336.56	5.23	-50.37
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007941909	0	34	-1.0	-65.17	309.73	4.12	-61.05
O=C([O-])C12CC(C1)CN2S(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007941910	0	40	-1.0	-59.98	343.84	7.95	-52.03
O=C([O-])C12CC(C1)CN2S(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007941911	0	39	-1.0	-62.10	314.73	2.97	-59.13
O=C([O-])C12CC(C1)CN2S(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007941912	0	43	-1.0	-55.40	329.48	7.09	-48.31
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007941913	0	34	-1.0	-53.80	299.93	6.37	-47.43
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=CC=C21	REAL300007941914	0	52	-1.0	-59.67	388.23	9.27	-50.40
COC1=CC=C(C=C(C)S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941915	0	41	-1.0	-53.30	334.49	6.08	-47.22
COC1=CSC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1OC	REAL300007941916	0	35	-1.0	-50.55	307.35	3.70	-46.85
O=C([O-])C12CC(C1)CN2S(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007941917	0	42	-1.0	-56.72	319.28	5.46	-51.26
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941918	0	41	-1.0	-53.70	334.73	6.93	-46.77
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007941919	0	34	-1.0	-53.26	305.76	5.76	-47.50
COC1=CC(F)=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(F)=C1	REAL300007941920	0	34	-1.0	-59.78	296.06	4.74	-55.04
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007941921	0	34	-1.0	-50.08	300.54	4.66	-45.42
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941922	0	36	-1.0	-56.80	298.67	4.77	-52.03
CN1C=CC2=CC(S(=O)(=O)N3CC4CC3(C(=O)[O-])C4)=CC=C21	REAL300007941923	0	37	-1.0	-61.00	312.21	6.87	-54.13
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007941924	0	39	-1.0	-52.45	333.92	5.52	-46.93
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941925	0	43	-1.0	-58.25	345.33	7.12	-51.13
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007941926	0	41	-1.0	-63.14	348.51	7.94	-55.20
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941927	0	36	-1.0	-55.78	284.28	6.55	-49.23
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007941928	0	31	-1.0	-53.66	302.23	4.13	-49.53
C=C(C)COC1=CC=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941929	0	41	-1.0	-56.21	342.47	6.71	-49.50
CCN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C2CC2)=N1	REAL300007941930	0	40	-1.0	-57.56	333.94	5.85	-51.71
CC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=NSN=C2C=C1	REAL300007941931	0	34	-1.0	-62.87	288.18	4.54	-58.33
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007941932	0	36	-1.0	-59.39	326.31	8.01	-51.38
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007941933	0	40	-1.0	-60.03	354.79	9.18	-50.85
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007941934	0	29	-1.0	-46.90	284.92	3.06	-43.84
CCC1=CC(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=CC=C1Br	REAL300007941935	0	36	-1.0	-50.58	314.09	6.89	-43.69
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941936	0	43	-1.0	-53.65	344.02	6.22	-47.43
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(Cl)=CS1	REAL300007941937	0	27	-1.0	-47.12	264.94	4.57	-42.55
COCCC1=CC=C(OC)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941938	0	44	-1.0	-65.00	363.72	5.63	-59.37
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007941939	0	36	-1.0	-58.11	316.26	7.69	-50.42
CN1N=C2CCOCC2=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941940	0	38	-1.0	-51.08	307.61	2.82	-48.26
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007941941	0	37	-1.0	-55.75	294.98	6.86	-48.89
CC1(C)CCN(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)CC1	REAL300007941942	0	41	-1.0	-54.63	310.87	5.15	-49.48
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007941943	0	45	-1.0	-52.54	358.04	5.43	-47.11
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941944	0	33	-1.0	-52.25	299.16	2.83	-49.42
COC1=NC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1C	REAL300007941945	0	36	-1.0	-52.66	305.82	2.51	-50.15
CC(C)CN1C=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=N1	REAL300007941946	0	39	-1.0	-57.62	323.16	5.09	-52.53
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941947	0	39	-1.0	-55.30	323.71	4.78	-50.52
O=C([O-])C12CC(C1)CN2S(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007941948	0	40	-1.0	-55.40	318.92	2.83	-52.57
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007941949	0	35	-1.0	-51.46	300.74	6.81	-44.65
CC(C)(C)C1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)N=C1	REAL300007941950	0	41	-1.0	-57.73	336.93	5.52	-52.21
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=NN1CC1CC1	REAL300007941951	0	37	-1.0	-51.76	304.72	4.98	-46.78
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007941952	0	37	-1.0	-54.70	304.15	5.95	-48.75
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007941953	0	32	-1.0	-58.01	294.61	4.14	-53.87
O=C([O-])C12CC(C1)CN2S(=O)(=O)N1CCC2=CC=CN=C21	REAL300007941954	0	35	-1.0	-55.95	289.99	5.37	-50.58
CC1=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=NN1C(C)C	REAL300007941955	0	39	-1.0	-60.68	320.50	4.88	-55.80
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C=C1	REAL300007941956	0	44	-1.0	-53.83	364.64	8.59	-45.24
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007941957	0	35	-1.0	-65.31	295.21	5.97	-59.34
O=C([O-])C12CC(C1)CN2S(=O)(=O)N1CC=C(Br)CC1	REAL300007941958	0	33	-1.0	-52.91	289.77	4.80	-48.11
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941959	0	38	-1.0	-61.53	316.41	0.90	-60.63
O=C([O-])C12CC(C1)CN2S(=O)(=O)N1CC2CCC(C1)O2	REAL300007941960	0	37	-1.0	-52.80	273.50	2.58	-50.22
COC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C(C(F)F)=C1	REAL300007941961	0	37	-1.0	-66.12	316.72	5.25	-60.87
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941962	0	36	-1.0	-54.33	324.83	3.29	-51.04
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007941963	0	35	-1.0	-57.53	292.96	5.27	-52.26
CCOC1=CC=CN=C1S(=O)(=O)N1CC2CC1(C(=O)[O-])C2	REAL300007941964	0	36	-1.0	-65.44	309.40	4.14	-61.30
CC1=CC=C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)C2=NC=CC=C12	REAL300007941965	0	38	-1.0	-65.43	317.46	6.45	-58.98
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007941966	0	34	-1.0	-56.65	294.77	5.04	-51.61
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007941967	0	32	-1.0	-62.98	291.14	4.27	-58.71
O=C([O-])C12CC(C1)CN2S(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21	REAL300007941968	0	37	-1.0	-52.37	333.41	6.03	-46.34
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CC3CC2(C(=O)[O-])C3)=C1	REAL300007941969	0	43	-1.0	-62.85	348.88	7.34	-55.51
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC(C3CCC3)CC2)C=C1	REAL300007941970	0	45	-1.0	-48.36	356.40	7.35	-41.01
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCC(C3CCC3)CC2)=C1	REAL300007941971	0	45	-1.0	-51.76	363.22	7.21	-44.55
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC(C2CCC2)CC1	REAL300007941972	0	48	-1.0	-56.14	379.11	8.15	-47.99
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1CCC(C2CCC2)CC1	REAL300007941973	0	49	-1.0	-54.92	392.72	7.03	-47.89
CC1=CC=C(S(=O)(=O)NC2CCC(C3CCC3)CC2)C=C1C(=O)[O-]	REAL300007941974	0	48	-1.0	-53.20	372.43	7.88	-45.32
O=C([O-])C1=C(S(=O)(=O)NC2CCC(C3CCC3)CC2)C=CS1	REAL300007941975	0	42	-1.0	-48.03	338.56	7.08	-40.95
O=C([O-])C1=CC=CC(S(=O)(=O)NC2CCC(C3CCC3)CC2)=C1	REAL300007941976	0	45	-1.0	-51.76	363.22	7.21	-44.55
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC(C3CCC3)CC2)C=C1	REAL300007941977	0	45	-1.0	-48.36	356.40	7.35	-41.01
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCC(C2CCC2)CC1	REAL300007941978	0	45	-1.0	-51.17	344.10	8.14	-43.03
O=C([O-])C1=CC(S(=O)(=O)NC2CCC(C3CCC3)CC2)=CN1	REAL300007941979	0	43	-1.0	-51.29	344.99	5.04	-46.25
O=C([O-])CN1C=C(S(=O)(=O)NC2CCC(C3CCC3)CC2)C=N1	REAL300007941980	0	45	-1.0	-48.83	368.53	5.34	-43.49
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC(C3CCC3)CC2)S1	REAL300007941981	0	42	-1.0	-46.93	348.43	6.50	-40.43
O=C([O-])C1=CNN=C1S(=O)(=O)NC1CCC(C2CCC2)CC1	REAL300007941982	0	42	-1.0	-51.68	338.19	4.21	-47.47
O=C([O-])C1CCCN(S(=O)(=O)NC2CCC(C3CCC3)CC2)C1	REAL300007941983	0	50	-1.0	-47.18	378.88	6.24	-40.94
O=C([O-])C1CCN(S(=O)(=O)NC2CCC(C3CCC3)CC2)CC1	REAL300007941984	0	50	-1.0	-50.55	380.15	6.33	-44.22
O=C([O-])C1=CC=CC=C1S(=O)(=O)NC1CCC(C2CCC2)CC1	REAL300007941985	0	45	-1.0	-51.17	344.10	8.14	-43.03
O=C([O-])C1=CC=C(Cl)C=C1S(=O)(=O)NC1CCC(C2CCC2)CC1	REAL300007941986	0	45	-1.0	-44.78	360.62	8.65	-36.13
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC(C3CCC3)CC2)O1	REAL300007941987	0	42	-1.0	-48.86	342.18	5.79	-43.07
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NC2CCC(C3CCC3)CC2)O1	REAL300007941988	0	45	-1.0	-49.94	360.41	6.25	-43.69
O=C([O-])CCCS(=O)(=O)NC1CCC(C2CCC2)CC1	REAL300007941989	0	44	-1.0	-50.96	348.76	5.85	-45.11
O=C([O-])C1CCCN1S(=O)(=O)NC1CCC(C2CCC2)CC1	REAL300007941990	0	47	-1.0	-47.23	348.99	5.77	-41.46
O=C([O-])C1=CC=C(CS(=O)(=O)NC2CCC(C3CCC3)CC2)C=C1	REAL300007941991	0	48	-1.0	-56.30	379.42	8.07	-48.23
O=C([O-])C1CCN(S(=O)(=O)NC2CCC(C3CCC3)CC2)CC1	REAL300007941992	0	50	-1.0	-50.55	380.15	6.33	-44.22
O=C([O-])C1=CC=CC(CS(=O)(=O)NC2CCC(C3CCC3)CC2)=C1	REAL300007941993	0	48	-1.0	-57.81	379.42	8.06	-49.75
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC(C3CCC3)CC2)O1	REAL300007941994	0	42	-1.0	-48.86	342.18	5.79	-43.07
O=C([O-])COC1=CC=C(S(=O)(=O)NC2CCC(C3CCC3)CC2)C=C1	REAL300007941995	0	49	-1.0	-47.64	387.50	7.63	-40.01
O=C([O-])CCCS(=O)(=O)NC1CCC(C2CCC2)CC1	REAL300007941996	0	44	-1.0	-50.96	348.76	5.85	-45.11
O=C([O-])C1=CSC(S(=O)(=O)NC2CCC(C3CCC3)CC2)=C1	REAL300007941997	0	42	-1.0	-48.55	357.06	6.26	-42.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC(C3CCC3)CC2)=C1C	REAL300007941998	0	51	-1.0	-57.31	396.22	8.66	-48.65
CC1=CC=CC(S(=O)(=O)NC2CCC(C3CCC3)CC2)=C1C(=O)[O-]	REAL300007941999	0	48	-1.0	-53.97	370.52	8.39	-45.58
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2CCC(C3CCC3)CC2)=C1	REAL300007942000	0	52	-1.0	-52.77	418.28	6.92	-45.85
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950771	0	36	-1.0	-42.92	308.08	4.60	-38.32
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950772	0	43	-1.0	-44.20	359.80	4.77	-39.43
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007950773	0	43	-1.0	-47.28	367.04	1.48	-45.80
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007950774	0	50	-1.0	-47.28	358.65	5.83	-41.45
CC1=NC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=CC=C2C=C1	REAL300007950775	0	40	-1.0	-53.74	324.34	6.08	-47.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007950776	0	40	-1.0	-49.59	340.45	6.28	-43.31
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007950777	0	43	-1.0	-47.46	353.82	2.80	-44.66
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950778	0	46	-1.0	-48.37	392.71	5.86	-42.51
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950779	0	46	-1.0	-45.23	389.51	5.84	-39.39
CCCN1C=NC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950780	0	38	-1.0	-55.64	322.86	5.13	-50.51
COCCOCCOCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950781	0	46	-1.0	-50.99	384.25	1.70	-49.29
CC(COC1CCCC1)CS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950782	0	48	-1.0	-44.15	375.53	5.78	-38.37
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950783	0	39	-1.0	-44.85	343.92	4.72	-40.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007950784	0	40	-1.0	-48.28	334.60	2.01	-46.27
COC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950785	0	36	-1.0	-46.41	323.78	4.22	-42.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007950786	0	36	-1.0	-50.79	318.18	4.51	-46.28
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007950787	0	38	-1.0	-45.07	330.91	5.15	-39.92
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950788	0	38	-1.0	-40.17	322.57	6.03	-34.14
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950789	0	38	-1.0	-38.78	324.64	6.03	-32.75
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300007950790	0	38	-1.0	-42.44	330.19	5.90	-36.54
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950791	0	41	-1.0	-47.83	322.08	6.01	-41.82
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCN1CCOCC1	REAL300007950792	0	44	-1.0	-47.64	347.57	1.24	-46.40
CCOC1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950793	0	39	-1.0	-46.36	326.72	4.64	-41.72
COCCN1C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=N1	REAL300007950794	0	39	-1.0	-44.90	335.16	2.03	-42.87
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007950795	0	39	-1.0	-52.61	339.76	4.93	-47.68
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007950796	0	59	-1.0	-51.07	457.78	8.79	-42.28
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007950797	0	40	-1.0	-48.27	346.36	6.49	-41.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007950798	0	37	-1.0	-53.15	316.61	4.76	-48.39
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007950799	0	35	-1.0	-45.82	317.85	5.64	-40.18
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1Br	REAL300007950800	0	35	-1.0	-50.75	314.44	5.54	-45.21
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007950801	0	39	-1.0	-58.18	337.65	2.17	-56.01
CC1=CC(Br)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950802	0	35	-1.0	-44.31	315.69	5.58	-38.73
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950803	0	35	-1.0	-43.09	303.52	5.61	-37.48
COCC1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950804	0	39	-1.0	-45.16	313.62	4.31	-40.85
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300007950805	0	36	-1.0	-45.18	325.30	4.37	-40.81
COC1=CC(OC)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007950806	0	40	-1.0	-46.58	337.07	4.19	-42.39
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007950807	0	35	-1.0	-43.64	319.35	3.48	-40.16
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007950808	0	35	-1.0	-45.32	314.59	3.15	-42.17
CC1(C)CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C2O1	REAL300007950809	0	43	-1.0	-48.06	353.24	5.49	-42.57
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007950810	0	35	-1.0	-53.85	311.64	3.72	-50.13
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950811	0	43	-1.0	-50.70	318.29	2.35	-48.35
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950812	0	44	-1.0	-54.37	379.06	3.60	-50.77
CSC1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950813	0	36	-1.0	-46.01	307.94	5.21	-40.80
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007950814	0	40	-1.0	-49.16	354.37	1.19	-47.97
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950815	0	46	-1.0	-51.16	394.54	2.18	-48.98
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950816	0	43	-1.0	-47.24	342.72	3.82	-43.42
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007950817	0	43	-1.0	-48.46	375.84	2.08	-46.38
CCC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950818	0	41	-1.0	-46.28	342.51	6.55	-39.73
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CS1	REAL300007950819	0	35	-1.0	-44.64	310.49	5.00	-39.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007950820	0	47	-1.0	-51.93	389.13	4.84	-47.09
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007950821	0	44	-1.0	-51.62	362.76	3.73	-47.89
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950822	0	41	-1.0	-52.27	357.55	2.82	-49.45
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950823	0	42	-1.0	-51.06	362.32	2.05	-49.01
CC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007950824	0	41	-1.0	-47.20	338.03	6.31	-40.89
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300007950825	0	39	-1.0	-43.50	347.14	5.30	-38.20
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007950826	0	46	-1.0	-47.60	383.93	7.45	-40.15
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007950827	0	36	-1.0	-50.78	328.51	4.96	-45.82
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950828	0	39	-1.0	-49.72	343.80	4.85	-44.87
CC1(C)CN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCO1	REAL300007950829	0	41	-1.0	-44.26	321.89	2.44	-41.82
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2S1	REAL300007950830	0	46	-1.0	-48.60	388.38	6.35	-42.25
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950831	0	39	-1.0	-44.54	338.46	5.86	-38.68
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CC=C21	REAL300007950832	0	44	-1.0	-49.27	366.12	5.94	-43.33
CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950833	0	39	-1.0	-51.50	339.74	-0.86	-52.36
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007950834	0	38	-1.0	-45.73	329.09	5.68	-40.05
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007950835	0	35	-1.0	-44.29	332.00	6.29	-38.00
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007950836	0	38	-1.0	-42.42	340.67	7.23	-35.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007950837	0	35	-1.0	-47.03	324.74	6.14	-40.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007950838	0	38	-1.0	-53.56	331.89	7.15	-46.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007950839	0	38	-1.0	-46.70	336.38	6.17	-40.53
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007950840	0	43	-1.0	-47.18	357.07	5.57	-41.61
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007950841	0	46	-1.0	-42.91	387.64	8.02	-34.89
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950842	0	45	-1.0	-51.81	381.93	5.91	-45.90
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007950843	0	43	-1.0	-49.34	375.88	1.46	-47.88
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007950844	0	41	-1.0	-49.27	340.89	7.31	-41.96
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1N(C)C	REAL300007950845	0	43	-1.0	-46.06	349.99	5.05	-41.01
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007950846	0	38	-1.0	-48.10	337.43	6.36	-41.74
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007950847	0	37	-1.0	-52.94	306.20	1.40	-51.54
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCOCC1CCCC1	REAL300007950848	0	45	-1.0	-45.72	360.62	4.85	-40.87
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007950849	0	39	-1.0	-40.32	329.02	4.86	-35.46
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950850	0	41	-1.0	-54.10	359.46	2.61	-51.49
CSC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007950851	0	36	-1.0	-43.39	330.59	5.88	-37.51
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950852	0	44	-1.0	-52.48	349.59	4.76	-47.72
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007950853	0	40	-1.0	-49.52	346.98	2.81	-46.71
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C12	REAL300007950854	0	39	-1.0	-44.37	336.62	2.12	-42.25
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007950855	0	43	-1.0	-46.81	371.93	4.23	-42.58
CN1N=CC2=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=CN=C21	REAL300007950856	0	37	-1.0	-46.29	319.74	3.53	-42.76
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007950857	0	38	-1.0	-46.93	342.50	7.25	-39.68
CCC1=CC(CC)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(CC)=C1	REAL300007950858	0	50	-1.0	-44.84	365.03	8.67	-36.17
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007950859	0	39	-1.0	-50.99	319.94	4.40	-46.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007950860	0	38	-1.0	-43.09	344.43	2.31	-40.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007950861	0	41	-1.0	-44.74	337.28	7.86	-36.88
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1F	REAL300007950862	0	39	-1.0	-48.56	318.42	4.48	-44.08
CC1(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])CCCCC1	REAL300007950863	0	44	-1.0	-46.25	322.76	5.82	-40.43
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007950864	0	41	-1.0	-49.36	333.35	5.77	-43.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007950866	0	40	-1.0	-48.70	344.97	5.67	-43.03
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950867	0	39	-1.0	-45.06	344.79	4.53	-40.53
CC1=CC=C(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(F)=C1	REAL300007950868	0	38	-1.0	-48.67	324.36	5.69	-42.98
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007950870	0	32	-1.0	-40.36	308.09	4.58	-35.78
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007950871	0	45	-1.0	-45.16	364.63	7.52	-37.64
CC(C)(C)C1=CC(CS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=NO1	REAL300007950872	0	43	-1.0	-45.82	357.66	4.96	-40.86
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007950873	0	41	-1.0	-48.98	336.88	1.42	-47.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007950874	0	35	-1.0	-46.16	311.63	4.84	-41.32
CC1=C(CCS(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])SC=N1	REAL300007950875	0	37	-1.0	-46.40	324.17	3.64	-42.76
O=C([O-])C1CCCC1NS(=O)(=O)CC12CCC(CC1)C2	REAL300007950876	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	REAL300007950877	0	44	-1.0	-48.43	355.23	5.98	-42.45
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC12CCC(CC1)CC2	REAL300007950878	0	45	-1.0	-45.13	333.08	6.25	-38.88
CC(C)(CCS(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-])S(C)(=O)=O	REAL300007950879	0	43	-1.0	-61.27	349.14	1.52	-59.75
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1CCCCC1(F)F	REAL300007950880	0	41	-1.0	-48.15	328.50	5.48	-42.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007950881	0	39	-1.0	-48.29	324.84	6.45	-41.84
CCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007950882	0	40	-1.0	-42.38	337.75	6.23	-36.15
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007950883	0	32	-1.0	-43.84	292.16	4.90	-38.94
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007950884	0	32	-1.0	-43.82	296.72	5.01	-38.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007950885	0	34	-1.0	-43.07	303.61	5.05	-38.02
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007950886	0	38	-1.0	-49.38	321.94	6.50	-42.88
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007950887	0	34	-1.0	-52.34	303.60	5.07	-47.27
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950888	0	37	-1.0	-37.85	311.75	5.68	-32.17
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007950889	0	34	-1.0	-58.97	285.43	5.88	-53.09
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950890	0	39	-1.0	-54.81	345.18	5.72	-49.09
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950891	0	39	-1.0	-47.71	326.75	4.61	-43.10
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007950892	0	44	-1.0	-43.41	326.18	6.64	-36.77
CC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300007950893	0	41	-1.0	-46.06	324.87	6.53	-39.53
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950894	0	47	-1.0	-43.67	359.78	7.31	-36.36
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007950895	0	35	-1.0	-41.06	314.80	5.40	-35.66
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007950896	0	35	-1.0	-45.04	294.51	4.96	-40.08
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007950897	0	32	-1.0	-46.73	292.11	4.92	-41.81
CC(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950898	0	37	-1.0	-51.87	315.84	4.77	-47.10
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007950899	0	38	-1.0	-43.21	330.88	5.16	-38.05
CC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950900	0	44	-1.0	-47.34	351.62	6.71	-40.63
CC(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950901	0	41	-1.0	-47.24	335.65	6.31	-40.93
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950902	0	43	-1.0	-51.56	370.99	2.38	-49.18
CCCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950903	0	41	-1.0	-46.98	339.81	6.60	-40.38
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Br	REAL300007950904	0	36	-1.0	-48.58	325.29	4.37	-44.21
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1Br	REAL300007950905	0	35	-1.0	-43.15	315.32	5.57	-37.58
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)=C1	REAL300007950906	0	46	-1.0	-47.73	386.86	7.92	-39.81
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007950907	0	36	-1.0	-44.47	321.36	4.18	-40.29
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1C	REAL300007950908	0	47	-1.0	-44.83	341.11	7.13	-37.70
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007950909	0	41	-1.0	-48.49	338.21	4.35	-44.14
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950910	0	48	-1.0	-46.24	377.82	6.85	-39.39
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007950911	0	37	-1.0	-55.25	321.71	5.64	-49.61
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950912	0	36	-1.0	-42.75	322.98	5.15	-37.60
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950913	0	50	-1.0	-45.78	379.66	8.19	-37.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007950914	0	35	-1.0	-43.27	314.17	5.38	-37.89
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007950915	0	42	-1.0	-49.07	335.79	6.82	-42.25
COC1=CC=C(OC)C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950916	0	40	-1.0	-46.40	331.36	3.83	-42.57
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OC	REAL300007950917	0	40	-1.0	-50.17	334.12	3.61	-46.56
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007950918	0	39	-1.0	-49.21	320.92	6.31	-42.90
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007950919	0	40	-1.0	-47.32	325.77	6.68	-40.64
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007950920	0	37	-1.0	-47.93	311.30	4.26	-43.67
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950921	0	47	-1.0	-46.85	378.86	7.89	-38.96
CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1OCC	REAL300007950922	0	46	-1.0	-47.24	377.82	5.45	-41.79
NS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950923	0	37	-1.0	-51.86	329.64	-0.66	-52.52
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007950924	0	40	-1.0	-43.69	334.07	6.03	-37.66
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007950925	0	40	-1.0	-39.27	328.44	6.27	-33.00
CC1=CC2=CC=CC(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])=C2N=C1	REAL300007950926	0	40	-1.0	-55.23	332.97	5.76	-49.47
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007950927	0	38	-1.0	-56.39	316.50	5.12	-51.27
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950928	0	36	-1.0	-43.81	316.21	5.04	-38.77
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950929	0	37	-1.0	-49.71	329.63	-0.64	-50.35
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007950930	0	44	-1.0	-47.00	378.80	1.99	-45.01
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950931	0	40	-1.0	-47.35	339.91	5.66	-41.69
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007950932	0	41	-1.0	-45.77	325.87	5.44	-40.33
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CN=C12	REAL300007950933	0	40	-1.0	-46.45	328.18	5.37	-41.08
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007950934	0	40	-1.0	-57.49	323.40	7.11	-50.38
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950935	0	43	-1.0	-49.23	370.99	2.40	-46.83
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007950936	0	44	-1.0	-48.70	361.46	3.74	-44.96
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950937	0	38	-1.0	-53.13	336.09	1.93	-51.20
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007950938	0	42	-1.0	-50.15	338.77	7.75	-42.40
CC1CC(C)CN(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1	REAL300007950939	0	43	-1.0	-44.27	335.63	4.60	-39.67
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007950940	0	38	-1.0	-52.22	315.10	6.63	-45.59
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007950941	0	42	-1.0	-49.13	349.57	7.80	-41.33
CC1=CC=C(F)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950942	0	35	-1.0	-39.47	288.40	5.16	-34.31
CN(C)C1=CC=CC2=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=CC=C12	REAL300007950943	0	46	-1.0	-47.91	365.57	6.44	-41.47
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007950944	0	33	-1.0	-47.17	292.17	2.97	-44.20
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950945	0	36	-1.0	-42.84	318.38	5.05	-37.79
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950946	0	47	-1.0	-47.17	365.84	7.17	-40.00
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007950947	0	35	-1.0	-47.53	310.85	5.52	-42.01
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950948	0	42	-1.0	-48.87	342.78	5.10	-43.77
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007950949	0	35	-1.0	-45.95	313.28	5.54	-40.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300007950950	0	33	-1.0	-47.85	285.47	3.12	-44.73
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007950951	0	37	-1.0	-51.24	326.10	6.83	-44.41
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007950952	0	37	-1.0	-62.99	313.66	5.03	-57.96
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007950953	0	43	-1.0	-48.07	380.34	7.72	-40.35
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950954	0	38	-1.0	-42.75	327.26	5.21	-37.54
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007950955	0	36	-1.0	-50.42	311.10	3.78	-46.64
CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1F	REAL300007950956	0	35	-1.0	-48.99	302.10	5.11	-43.88
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007950957	0	43	-1.0	-46.84	380.88	7.68	-39.16
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300007950958	0	47	-1.0	-48.56	393.66	6.46	-42.10
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	REAL300007950959	0	59	-1.0	-46.18	429.03	10.09	-36.09
CC(C)OC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007950960	0	48	-1.0	-49.59	380.62	7.46	-42.13
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007950961	0	35	-1.0	-42.25	330.67	6.06	-36.19
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CC=C12	REAL300007950962	0	42	-1.0	-50.77	343.39	5.98	-44.79
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950963	0	37	-1.0	-39.89	311.73	5.67	-34.22
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950964	0	37	-1.0	-47.06	302.85	5.47	-41.59
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950965	0	40	-1.0	-37.21	326.34	6.58	-30.63
CC(C)CC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950966	0	44	-1.0	-46.91	356.61	7.07	-39.84
COCCC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950967	0	42	-1.0	-47.17	351.97	4.90	-42.27
COCCN(CCOC)S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950968	0	44	-1.0	-42.23	338.38	2.16	-40.07
CC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950969	0	35	-1.0	-39.57	298.67	5.60	-33.97
COC1=C(C)C=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007950970	0	42	-1.0	-47.69	347.05	5.20	-42.49
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950971	0	48	-1.0	-46.11	387.30	6.71	-39.40
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007950972	0	46	-1.0	-47.25	370.20	6.58	-40.67
CC(C)COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950973	0	45	-1.0	-47.43	368.35	6.10	-41.33
CCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950974	0	42	-1.0	-47.38	348.24	5.41	-41.97
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1Cl	REAL300007950975	0	36	-1.0	-43.68	320.90	4.26	-39.42
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007950976	0	36	-1.0	-46.28	330.65	4.53	-41.75
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007950977	0	39	-1.0	-46.13	325.32	4.43	-41.70
CC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300007950978	0	45	-1.0	-47.65	365.36	6.03	-41.62
COC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300007950979	0	39	-1.0	-44.90	312.94	4.31	-40.59
COCCOC1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950980	0	43	-1.0	-49.98	360.37	3.88	-46.10
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC=CC=C1F	REAL300007950981	0	35	-1.0	-53.49	302.94	5.01	-48.48
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950982	0	35	-1.0	-40.63	304.79	5.62	-35.01
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1C	REAL300007950983	0	40	-1.0	-56.58	323.50	7.33	-49.25
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950984	0	41	-1.0	-47.75	346.63	2.55	-45.20
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007950985	0	44	-1.0	-51.39	384.40	2.23	-49.16
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1	REAL300007950986	0	40	-1.0	-51.86	352.01	0.55	-51.31
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL300007950987	0	40	-1.0	-51.25	330.44	2.09	-49.16
CC1=NC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])S1	REAL300007950988	0	34	-1.0	-46.12	301.96	2.85	-43.27
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007950989	0	35	-1.0	-46.37	307.94	5.65	-40.72
COC1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CC=C1F	REAL300007950990	0	36	-1.0	-45.84	311.10	3.78	-42.06
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007950991	0	42	-1.0	-52.07	349.58	7.82	-44.25
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007950992	0	35	-1.0	-41.62	333.08	6.12	-35.50
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)[O-])S2)=CS1	REAL300007950993	0	38	-1.0	-48.49	353.25	4.91	-43.58
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007950994	0	52	-1.0	-46.00	409.98	8.00	-38.00
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=C1	REAL300007950995	0	40	-1.0	-53.27	324.90	6.20	-47.07
CNC(=O)C1=CC(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])=CN1C	REAL300007950996	0	40	-1.0	-51.86	338.96	1.90	-49.96
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C(C)=C1	REAL300007950997	0	42	-1.0	-46.46	332.89	5.16	-41.30
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007950998	0	43	-1.0	-50.49	359.60	8.52	-41.97
COC1=CC(C)=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C=C1C	REAL300007950999	0	42	-1.0	-43.52	333.06	5.04	-38.48
CC1=C(S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007951000	0	40	-1.0	-52.01	320.48	5.53	-46.48
COC1=CC=C(F)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953041	0	33	-1.0	-52.52	296.61	2.10	-50.42
CC1=C(Br)C=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007953042	0	34	-1.0	-47.73	334.44	4.02	-43.71
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953043	0	40	-1.0	-53.86	349.04	2.37	-51.49
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007953044	0	40	-1.0	-55.80	361.56	-0.83	-56.63
O=C([O-])COCCNS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007953045	0	47	-1.0	-48.32	356.83	3.89	-44.43
CC1=NC2=C(S(=O)(=O)NCCOCC(=O)[O-])C=CC=C2C=C1	REAL300007953046	0	37	-1.0	-56.65	322.91	3.88	-52.77
O=C([O-])COCCNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007953047	0	37	-1.0	-54.93	334.61	4.09	-50.84
O=C([O-])COCCNS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007953048	0	40	-1.0	-51.90	346.84	0.75	-51.15
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953049	0	43	-1.0	-53.04	383.96	3.35	-49.69
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953050	0	43	-1.0	-52.78	376.61	3.33	-49.45
COCCOCCOCCS(=O)(=O)NCCOCC(=O)[O-]	REAL300007953051	0	43	-1.0	-54.85	378.17	-0.50	-55.35
CC(COC1CCCC1)CS(=O)(=O)NCCOCC(=O)[O-]	REAL300007953052	0	45	-1.0	-50.18	370.51	3.56	-46.62
O=C([O-])COCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007953053	0	44	-1.0	-53.09	385.03	3.62	-49.47
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953054	0	36	-1.0	-50.47	337.92	2.51	-47.96
O=C([O-])COCCNS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007953055	0	37	-1.0	-52.94	327.73	-0.05	-52.99
COC1=CC(Br)=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953056	0	33	-1.0	-50.00	320.48	2.13	-47.87
O=C([O-])COCCNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007953057	0	33	-1.0	-52.33	306.36	2.37	-49.96
COC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007953058	0	35	-1.0	-52.25	325.22	2.95	-49.30
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953059	0	35	-1.0	-47.34	323.11	4.09	-43.25
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953060	0	35	-1.0	-47.14	323.47	4.11	-43.03
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1C(F)(F)F	REAL300007953061	0	35	-1.0	-48.93	324.12	3.72	-45.21
CC(C)C1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953062	0	38	-1.0	-49.40	323.63	4.31	-45.09
O=C([O-])COCCNS(=O)(=O)CCCN1CCOCC1	REAL300007953063	0	41	-1.0	-51.57	343.37	-0.83	-52.40
CCOC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953064	0	36	-1.0	-53.53	321.06	2.43	-51.10
COCCN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C=N1	REAL300007953065	0	36	-1.0	-51.39	329.44	-0.18	-51.57
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007953066	0	36	-1.0	-53.74	334.06	2.75	-50.99
CCCCCCCCN1N=C(C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1C	REAL300007953067	0	56	-1.0	-50.28	457.19	6.77	-43.51
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1F	REAL300007953068	0	43	-1.0	-52.34	390.17	0.63	-51.71
O=C([O-])COCCNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007953069	0	37	-1.0	-54.66	343.16	4.37	-50.29
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007953070	0	34	-1.0	-52.20	310.89	2.58	-49.62
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007953071	0	32	-1.0	-50.73	314.74	3.52	-47.21
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC=C1Br	REAL300007953072	0	32	-1.0	-52.76	310.23	3.48	-49.28
O=C([O-])COCCNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007953073	0	36	-1.0	-67.32	334.31	0.07	-67.25
CC1=CC(Br)=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953074	0	32	-1.0	-48.47	312.40	3.49	-44.98
CC1=C(Br)C=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953075	0	32	-1.0	-49.48	303.15	3.50	-45.98
COCC1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953076	0	36	-1.0	-50.16	316.01	2.34	-47.82
COC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1Br	REAL300007953077	0	33	-1.0	-49.69	319.62	2.18	-47.51
COC1=CC(OC)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Cl	REAL300007953078	0	37	-1.0	-53.21	335.76	1.92	-51.29
O=C([O-])COCCNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007953079	0	32	-1.0	-57.83	313.64	1.26	-56.57
O=C([O-])COCCNS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007953080	0	32	-1.0	-56.58	307.61	1.09	-55.49
CC1(C)CC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C2O1	REAL300007953081	0	40	-1.0	-51.65	347.15	3.46	-48.19
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007953082	0	32	-1.0	-51.14	303.68	1.20	-49.94
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953083	0	40	-1.0	-52.81	335.90	0.16	-52.65
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1I	REAL300007953084	0	32	-1.0	-48.68	315.04	3.84	-44.84
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953085	0	41	-1.0	-57.77	373.35	1.42	-56.35
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953086	0	46	-1.0	-59.17	406.48	1.92	-57.25
CSC1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953087	0	33	-1.0	-52.16	294.02	2.38	-49.78
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953088	0	46	-1.0	-57.53	412.60	0.72	-56.81
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1F	REAL300007953089	0	37	-1.0	-54.05	348.65	-1.02	-55.07
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(OC)=C1	REAL300007953090	0	44	-1.0	-58.37	385.00	-0.34	-58.71
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(F)=C1	REAL300007953091	0	43	-1.0	-56.14	384.44	0.36	-55.78
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953092	0	43	-1.0	-55.28	388.82	0.00	-55.28
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953093	0	40	-1.0	-59.15	349.60	2.22	-56.93
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1F	REAL300007953094	0	43	-1.0	-52.95	391.61	0.66	-52.29
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007953095	0	44	-1.0	-59.63	375.74	3.31	-56.32
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1F	REAL300007953096	0	40	-1.0	-53.15	370.11	-0.13	-53.28
CCC1=CC=C(CS(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953097	0	38	-1.0	-51.53	336.33	4.35	-47.18
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007953098	0	44	-1.0	-51.14	383.45	2.65	-48.49
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007953099	0	41	-1.0	-56.30	336.65	1.13	-55.17
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953100	0	38	-1.0	-55.52	351.86	0.63	-54.89
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953101	0	39	-1.0	-58.35	350.90	-0.45	-58.80
CC1=CC=C(CS(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007953102	0	38	-1.0	-52.16	331.86	4.11	-48.05
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Br	REAL300007953103	0	36	-1.0	-52.45	341.46	3.10	-49.35
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007953104	0	43	-1.0	-51.59	377.88	5.27	-46.32
O=C([O-])COCCNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007953105	0	33	-1.0	-51.97	316.68	2.82	-49.15
O=C([O-])COCCNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007953106	0	35	-1.0	-51.96	350.15	0.33	-51.63
COC1=CC=C(Br)C(CS(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953107	0	36	-1.0	-52.19	339.63	2.77	-49.42
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2S1	REAL300007953108	0	43	-1.0	-51.96	382.68	4.15	-47.81
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953109	0	36	-1.0	-52.21	329.66	3.21	-49.00
CC(C)N1N=CC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C21	REAL300007953110	0	41	-1.0	-53.21	360.41	3.74	-49.47
CCS(=O)(=O)NCCS(=O)(=O)NCCOCC(=O)[O-]	REAL300007953111	0	36	-1.0	-59.29	333.53	-3.06	-62.35
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007953112	0	35	-1.0	-50.07	323.45	3.47	-46.60
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007953113	0	32	-1.0	-49.37	325.32	4.14	-45.23
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007953114	0	35	-1.0	-52.58	333.53	4.95	-47.63
O=C([O-])COCCNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007953115	0	32	-1.0	-49.72	312.44	3.60	-46.12
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007953116	0	35	-1.0	-56.14	327.43	5.07	-51.07
O=C([O-])COCCNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007953117	0	35	-1.0	-51.40	330.70	4.00	-47.40
O=C([O-])COCCNS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007953118	0	40	-1.0	-53.26	350.84	3.53	-49.73
O=C([O-])COCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007953119	0	43	-1.0	-51.18	376.58	5.58	-45.60
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953120	0	42	-1.0	-57.54	377.11	3.77	-53.77
O=C([O-])COCCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007953121	0	40	-1.0	-57.70	369.70	-0.74	-58.44
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007953122	0	38	-1.0	-49.91	340.75	5.20	-44.71
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1N(C)C	REAL300007953123	0	40	-1.0	-51.04	344.59	2.87	-48.17
O=C([O-])COCCNS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007953124	0	35	-1.0	-50.30	331.14	4.14	-46.16
O=C([O-])COCCNS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007953125	0	34	-1.0	-54.94	302.54	-0.85	-55.79
O=C([O-])COCCNS(=O)(=O)CCOCC1CCCC1	REAL300007953126	0	42	-1.0	-50.23	354.43	2.66	-47.57
COC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Cl	REAL300007953127	0	36	-1.0	-47.91	329.95	2.98	-44.93
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953128	0	38	-1.0	-60.47	354.13	0.42	-60.05
CSC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Cl	REAL300007953129	0	33	-1.0	-52.31	324.90	3.68	-48.63
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953130	0	41	-1.0	-53.56	343.52	2.68	-50.88
O=C([O-])COCCNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007953131	0	37	-1.0	-52.04	340.84	0.76	-51.28
CCC1=NOC2=NC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C12	REAL300007953132	0	36	-1.0	-51.72	330.92	-0.08	-51.80
O=C([O-])COCCNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007953133	0	40	-1.0	-54.59	366.22	2.03	-52.56
CN1N=CC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CN=C21	REAL300007953134	0	34	-1.0	-54.48	314.04	1.33	-53.15
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007953135	0	35	-1.0	-50.08	336.89	5.09	-44.99
CCC1=CC(CC)=C(S(=O)(=O)NCCOCC(=O)[O-])C(CC)=C1	REAL300007953136	0	47	-1.0	-48.48	369.54	6.96	-41.52
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953137	1	44	-1.0	-55.10	388.85	-0.53	-55.63
O=C([O-])COCCNS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007953138	0	36	-1.0	-54.54	315.47	2.24	-52.30
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007953139	0	35	-1.0	-50.39	338.30	0.29	-50.10
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007953140	0	38	-1.0	-53.63	336.17	5.98	-47.65
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1F	REAL300007953141	0	36	-1.0	-52.76	318.87	2.44	-50.32
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007953142	0	38	-1.0	-50.86	331.74	3.63	-47.23
O=C([O-])COCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007953144	0	37	-1.0	-52.66	339.13	3.47	-49.19
COCC1=CC(Cl)=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953145	0	36	-1.0	-49.35	341.48	2.44	-46.91
CC1=CC=C(CS(=O)(=O)NCCOCC(=O)[O-])C(F)=C1	REAL300007953146	0	35	-1.0	-54.54	320.17	3.62	-50.92
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007953148	0	29	-1.0	-47.27	302.26	2.40	-44.87
O=C([O-])COCCNS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007953149	0	42	-1.0	-51.98	358.43	5.49	-46.49
CC(C)(C)C1=CC(CS(=O)(=O)NCCOCC(=O)[O-])=NO1	REAL300007953150	0	40	-1.0	-55.11	351.57	2.91	-52.20
O=C([O-])COCCNS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007953151	0	38	-1.0	-57.38	330.82	-0.63	-58.01
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007953152	0	32	-1.0	-50.41	305.86	2.66	-47.75
CC1=C(CCS(=O)(=O)NCCOCC(=O)[O-])SC=N1	REAL300007953153	0	34	-1.0	-52.02	318.47	1.42	-50.60
COC1=CC=C2C=C(S(=O)(=O)NCCOCC(=O)[O-])CCC2=C1	REAL300007953154	0	41	-1.0	-52.05	353.62	3.90	-48.15
O=C([O-])COCCNS(=O)(=O)CC12CCC(CC1)CC2	REAL300007953155	0	42	-1.0	-49.66	327.11	4.22	-45.44
CC(C)(CCS(=O)(=O)NCCOCC(=O)[O-])S(C)(=O)=O	REAL300007953156	0	40	-1.0	-63.69	342.93	-0.69	-64.38
O=C([O-])COCCNS(=O)(=O)CC1CCCCC1(F)F	REAL300007953157	0	38	-1.0	-50.90	322.73	3.34	-47.56
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C12	REAL300007953158	0	44	-1.0	-55.08	393.07	5.48	-49.60
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C12	REAL300007953159	0	48	-1.0	-54.50	411.19	2.98	-51.52
CCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007953160	0	37	-1.0	-50.01	332.11	4.02	-45.99
O=C([O-])COCCNS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007953161	0	29	-1.0	-48.83	290.97	2.83	-46.00
O=C([O-])COCCNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007953162	0	31	-1.0	-50.17	297.91	2.88	-47.29
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007953163	0	35	-1.0	-52.12	315.64	4.49	-47.63
O=C([O-])COCCNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007953164	0	31	-1.0	-56.35	297.91	2.88	-53.47
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953165	0	34	-1.0	-48.18	312.62	3.78	-44.40
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007953166	0	31	-1.0	-62.31	287.10	3.69	-58.62
CCOC1=CC=C(Br)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953167	0	36	-1.0	-51.45	333.36	3.58	-47.87
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953168	0	36	-1.0	-51.19	321.04	2.43	-48.76
CC1=CC(C)=C(C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1C	REAL300007953169	0	41	-1.0	-49.79	330.27	4.78	-45.01
CC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1	REAL300007953170	0	38	-1.0	-49.41	317.78	4.38	-45.03
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953171	0	44	-1.0	-48.83	360.64	5.42	-43.41
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007953172	0	32	-1.0	-52.03	308.76	3.22	-48.81
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007953173	0	32	-1.0	-55.03	294.60	3.78	-51.25
CC(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953174	0	34	-1.0	-51.74	310.94	2.62	-49.12
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007953175	0	35	-1.0	-52.12	325.21	2.95	-49.17
CC(C)(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953176	0	41	-1.0	-50.13	345.89	4.53	-45.60
CC(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953177	0	38	-1.0	-50.19	329.92	4.14	-46.05
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953178	0	46	-1.0	-55.33	406.44	1.92	-53.41
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953179	0	40	-1.0	-55.49	365.18	0.21	-55.28
CCCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953180	0	38	-1.0	-50.13	334.08	4.43	-45.70
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Br	REAL300007953181	0	33	-1.0	-52.59	319.60	2.18	-50.41
O=C([O-])COCCNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007953182	0	35	-1.0	-48.04	347.48	4.22	-43.82
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1Br	REAL300007953183	0	32	-1.0	-48.90	309.20	3.39	-45.51
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2)=C1	REAL300007953184	0	43	-1.0	-51.54	379.78	5.73	-45.81
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007953185	0	33	-1.0	-48.34	315.66	2.00	-46.34
CC1=C(C)C(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1C	REAL300007953186	0	44	-1.0	-50.46	343.55	5.23	-45.23
O=C([O-])COCCNS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007953187	0	38	-1.0	-52.41	332.52	2.15	-50.26
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953188	0	45	-1.0	-52.71	366.32	4.34	-48.37
CN1C=C(Br)C2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C21	REAL300007953189	0	36	-1.0	-52.06	345.12	4.58	-47.48
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007953190	0	34	-1.0	-56.71	313.91	3.40	-53.31
COC1=CC=C(Br)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953191	0	33	-1.0	-51.91	311.50	2.66	-49.25
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953192	0	47	-1.0	-49.49	372.01	6.02	-43.47
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007953193	0	32	-1.0	-48.92	308.44	3.20	-45.72
O=C([O-])COCCNS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007953194	0	39	-1.0	-50.62	332.41	4.70	-45.92
COC1=CC=C(OC)C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953195	0	37	-1.0	-54.62	319.67	1.32	-53.30
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1OC	REAL300007953196	0	37	-1.0	-53.38	328.42	1.41	-51.97
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007953197	0	37	-1.0	-50.82	324.16	4.61	-46.21
O=C([O-])COCCNS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007953198	0	34	-1.0	-50.94	305.60	2.07	-48.87
CC(C)CCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953199	0	44	-1.0	-49.99	373.14	5.71	-44.28
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1OCC	REAL300007953200	0	43	-1.0	-51.71	372.13	3.25	-48.46
NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953201	0	34	-1.0	-56.53	323.92	-2.84	-59.37
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007953202	0	37	-1.0	-55.27	334.10	4.05	-51.22
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1C	REAL300007953203	0	37	-1.0	-47.58	329.59	4.30	-43.28
CC1=CC2=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C2N=C1	REAL300007953204	0	37	-1.0	-55.89	323.26	3.96	-51.93
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007953205	0	35	-1.0	-60.89	316.55	2.99	-57.90
COC1=CC(Cl)=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953206	0	33	-1.0	-50.28	306.94	2.55	-47.73
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953207	0	34	-1.0	-59.74	323.93	-2.84	-62.58
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007953208	0	41	-1.0	-59.57	378.71	0.04	-59.53
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953209	0	37	-1.0	-51.87	337.48	3.78	-48.09
O=C([O-])COCCNS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007953210	0	38	-1.0	-50.68	322.33	3.36	-47.32
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CN=C12	REAL300007953211	0	37	-1.0	-52.39	325.92	3.51	-48.88
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007953212	0	37	-1.0	-60.90	325.61	4.89	-56.01
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953213	0	40	-1.0	-59.33	365.19	0.21	-59.12
O=C([O-])COCCNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007953214	0	41	-1.0	-55.94	355.63	1.55	-54.39
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953215	0	35	-1.0	-62.02	330.38	-0.27	-62.29
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007953216	0	39	-1.0	-50.12	325.44	5.31	-44.81
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007953217	0	35	-1.0	-53.70	310.74	4.56	-49.14
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007953218	0	39	-1.0	-51.85	343.87	5.62	-46.23
CN(C)C1=CC=CC2=C(S(=O)(=O)NCCOCC(=O)[O-])C=CC=C12	REAL300007953219	0	43	-1.0	-52.06	364.09	4.42	-47.64
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007953220	0	30	-1.0	-53.03	288.03	0.59	-52.44
COC1=CC=C(Cl)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953221	0	33	-1.0	-51.97	306.94	2.55	-49.42
CCC(C)(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953222	0	44	-1.0	-50.07	360.12	5.00	-45.07
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Cl	REAL300007953223	0	32	-1.0	-48.81	305.16	3.31	-45.50
CC(C)OC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953224	0	39	-1.0	-50.40	338.95	3.05	-47.35
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007953225	0	32	-1.0	-50.72	310.18	3.42	-47.30
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=NON=C21	REAL300007953226	0	30	-1.0	-52.59	280.52	0.92	-51.67
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007953227	0	34	-1.0	-57.93	325.95	4.69	-53.24
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007953228	0	34	-1.0	-56.43	301.90	3.32	-53.11
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007953229	0	40	-1.0	-53.59	375.19	5.60	-47.99
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953230	0	35	-1.0	-50.42	318.43	2.70	-47.72
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1F	REAL300007953231	0	33	-1.0	-53.74	305.40	1.58	-52.16
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007953232	0	40	-1.0	-49.78	375.08	5.57	-44.21
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2)C=C1	REAL300007953233	0	44	-1.0	-51.82	387.85	4.34	-47.48
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NCCOCC(=O)[O-])C(C(C)C)=C1	REAL300007953234	0	56	-1.0	-49.14	427.95	8.07	-41.07
CC(C)OC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CC=C12	REAL300007953235	0	45	-1.0	-52.75	378.81	5.47	-47.28
O=C([O-])COCCNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007953236	0	32	-1.0	-50.22	325.36	3.88	-46.34
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CC=C12	REAL300007953237	0	39	-1.0	-53.18	339.06	3.92	-49.26
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953238	0	34	-1.0	-48.34	312.60	3.75	-44.59
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953239	0	34	-1.0	-54.96	307.72	3.52	-51.44
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953240	0	37	-1.0	-47.75	329.57	4.65	-43.10
CC(C)CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953241	0	41	-1.0	-50.12	350.84	4.89	-45.23
COCCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953242	0	39	-1.0	-50.90	346.24	2.72	-48.18
COCCN(CCOC)S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953243	0	41	-1.0	-48.93	343.60	-0.59	-49.52
CC1=CC=C(Cl)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953244	0	32	-1.0	-47.28	301.12	3.62	-43.66
COC1=C(C)C=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007953245	0	39	-1.0	-51.10	343.27	3.09	-48.01
CC(C)CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953246	0	45	-1.0	-50.00	381.62	4.53	-45.47
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007953247	0	43	-1.0	-50.71	364.33	4.43	-46.28
CC(C)COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953248	0	42	-1.0	-50.06	362.65	3.93	-46.13
CCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953249	0	39	-1.0	-50.13	342.55	3.23	-46.90
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Cl	REAL300007953250	0	33	-1.0	-52.66	315.21	2.06	-50.60
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007953251	0	33	-1.0	-52.06	324.97	2.34	-49.72
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007953252	0	36	-1.0	-50.72	319.26	2.25	-48.47
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1OC(C)C	REAL300007953253	0	42	-1.0	-50.38	359.05	3.80	-46.58
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1	REAL300007953254	0	36	-1.0	-50.17	313.87	2.40	-47.77
COCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953255	0	40	-1.0	-52.71	354.68	1.70	-51.01
CC1=CC(Br)=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953256	0	32	-1.0	-47.25	305.67	3.71	-43.54
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCOCC(=O)[O-])=C1C	REAL300007953257	0	37	-1.0	-60.68	320.87	4.95	-55.73
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953258	0	38	-1.0	-56.02	345.11	0.63	-55.39
O=C([O-])COCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007953259	0	41	-1.0	-55.56	378.71	0.05	-55.51
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953260	0	37	-1.0	-56.05	346.29	-1.62	-57.67
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953261	0	37	-1.0	-58.17	302.45	-0.49	-58.66
O=C([O-])COCCNS(=O)(=O)C1=CSC2=CC=CC=C12	REAL300007953262	0	32	-1.0	-51.26	295.66	3.09	-48.17
COC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1F	REAL300007953263	0	33	-1.0	-50.10	305.42	1.58	-48.52
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007953264	0	39	-1.0	-51.49	343.89	5.62	-45.87
O=C([O-])COCCNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007953265	0	32	-1.0	-50.00	326.92	3.91	-46.09
CC1=NC(C2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])S2)=CS1	REAL300007953266	0	35	-1.0	-52.22	349.14	2.76	-49.46
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007953267	0	49	-1.0	-50.83	404.26	5.82	-45.01
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953268	0	37	-1.0	-56.22	323.26	3.98	-52.24
CNC(=O)C1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CN1C	REAL300007953269	0	37	-1.0	-54.77	333.58	-0.15	-54.92
COC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1	REAL300007953270	0	39	-1.0	-49.64	325.24	2.99	-46.65
O=C([O-])COCCNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007953271	0	40	-1.0	-52.78	353.90	6.32	-46.46
COC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007953272	0	39	-1.0	-48.89	334.82	3.04	-45.85
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CN=C2C=C1	REAL300007953273	0	37	-1.0	-51.63	315.63	3.39	-48.24
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007953274	0	34	-1.0	-56.15	305.99	2.76	-53.39
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCCOCC(=O)[O-])=C2	REAL300007953275	0	42	-1.0	-53.98	369.51	6.04	-47.94
CCN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007953276	0	34	-1.0	-64.11	319.70	3.09	-61.02
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007953277	0	36	-1.0	-52.68	340.61	2.89	-49.79
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007953278	0	43	-1.0	-52.26	380.94	5.48	-46.78
CCC(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953279	0	37	-1.0	-60.20	332.78	3.47	-56.73
O=C([O-])COCCNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007953280	0	39	-1.0	-55.50	355.67	3.76	-51.74
CC(C)CCN(CCC(C)C)S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953281	0	51	-1.0	-48.25	404.19	5.02	-43.23
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953282	0	37	-1.0	-58.92	346.77	-1.17	-60.09
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007953283	0	44	-1.0	-54.55	391.62	1.34	-53.21
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CC=C12	REAL300007953284	0	42	-1.0	-52.87	360.92	4.85	-48.02
CCOC1=CC=C(C)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953285	0	39	-1.0	-52.46	333.47	3.62	-48.84
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007953286	0	34	-1.0	-63.93	317.97	2.39	-61.54
O=C([O-])COCCNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007953287	0	36	-1.0	-52.97	330.25	3.32	-49.65
CCOCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953288	0	43	-1.0	-53.31	376.52	2.67	-50.64
CCCCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953289	0	45	-1.0	-49.97	385.55	4.79	-45.18
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007953290	0	39	-1.0	-50.14	325.34	4.89	-45.25
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007953291	0	35	-1.0	-54.47	318.06	4.01	-50.46
O=C([O-])COCCNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007953292	0	33	-1.0	-48.14	326.06	3.67	-44.47
O=C([O-])COCCNS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007953293	0	34	-1.0	-51.77	305.65	1.50	-50.27
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007953294	0	37	-1.0	-58.99	333.32	3.45	-55.54
O=C([O-])COCCNS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007953295	0	35	-1.0	-58.78	313.62	-1.34	-60.12
O=C([O-])COCCNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007953296	0	34	-1.0	-53.93	317.96	2.39	-51.54
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1	REAL300007953297	0	39	-1.0	-49.99	335.72	3.33	-46.66
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953298	0	37	-1.0	-54.63	346.31	-1.63	-56.26
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007953299	0	33	-1.0	-53.32	299.97	2.30	-51.02
CSC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953300	0	33	-1.0	-51.11	309.87	3.23	-47.88
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007953301	0	35	-1.0	-51.16	332.51	3.93	-47.23
CCN(CC1=CC=CC=C1)S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953302	0	40	-1.0	-50.55	339.60	3.98	-46.57
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007953303	0	35	-1.0	-53.29	304.13	1.76	-51.53
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007953304	0	34	-1.0	-52.30	305.80	2.67	-49.63
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007953305	0	41	-1.0	-52.78	363.41	4.19	-48.59
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(F)(F)F	REAL300007953306	0	35	-1.0	-48.71	324.11	3.73	-44.98
O=C([O-])COCCNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007953307	0	35	-1.0	-50.07	342.52	2.94	-47.13
O=C([O-])COCCNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007953308	0	38	-1.0	-51.20	334.50	3.80	-47.40
CC1=NN(C)C2=NC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C12	REAL300007953309	0	37	-1.0	-54.44	336.00	1.93	-52.51
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCCOCC(=O)[O-]	REAL300007953310	0	36	-1.0	-52.62	338.34	2.80	-49.82
COCC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953311	0	36	-1.0	-52.16	324.76	1.93	-50.23
CC1(C)CC2=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C2O1	REAL300007953312	0	40	-1.0	-53.30	340.93	3.47	-49.83
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC=C1Cl	REAL300007953313	0	32	-1.0	-53.03	307.02	3.35	-49.68
O=C([O-])COCCNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007953314	0	41	-1.0	-61.40	366.28	0.71	-60.69
O=C([O-])COCCNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007953315	0	36	-1.0	-51.17	339.44	2.70	-48.47
COC1=CC(OC)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Br	REAL300007953316	0	37	-1.0	-53.21	340.15	2.03	-51.18
O=C([O-])COCCNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007953317	0	37	-1.0	-59.09	331.54	2.85	-56.24
O=C([O-])COCCNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007953318	0	32	-1.0	-51.81	320.35	3.80	-48.01
CC1CC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C2O1	REAL300007953319	0	37	-1.0	-51.19	326.74	2.81	-48.38
CCC1=CC=CC(CC)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953320	0	41	-1.0	-48.42	326.69	5.37	-43.05
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953321	0	41	-1.0	-52.76	357.61	1.21	-51.55
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007953322	0	40	-1.0	-51.82	375.09	5.56	-46.26
O=C([O-])COCCNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007953323	0	35	-1.0	-56.47	336.11	2.87	-53.60
O=C([O-])COCCNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007953324	0	35	-1.0	-49.78	352.84	3.39	-46.39
CC1=NC(C2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2)=CO1	REAL300007953325	0	38	-1.0	-56.73	346.08	1.28	-55.45
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C(F)(F)F)=N1	REAL300007953326	0	32	-1.0	-58.06	309.17	1.15	-56.91
O=C([O-])COCCNS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007953327	0	32	-1.0	-53.26	295.74	0.87	-52.39
O=C([O-])COCCNS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007953328	0	37	-1.0	-50.96	323.39	2.84	-48.12
CC1=CC=C(N2C=C(S(=O)(=O)NCCOCC(=O)[O-])C=N2)C=C1	REAL300007953329	0	39	-1.0	-55.01	351.66	3.99	-51.02
CC1CC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC(Cl)=C2O1	REAL300007953330	0	37	-1.0	-52.71	343.47	3.32	-49.39
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007953331	0	34	-1.0	-49.85	313.91	3.38	-46.47
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCCOCC(=O)[O-])C=N1	REAL300007953332	0	40	-1.0	-55.84	357.42	2.96	-52.88
O=C([O-])COCCNS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007953333	0	31	-1.0	-51.67	301.68	1.68	-49.99
CN(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953334	0	37	-1.0	-51.80	320.78	2.60	-49.20
CC1=CC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2C=C1	REAL300007953335	0	38	-1.0	-52.02	336.98	5.14	-46.88
CN(C)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953336	0	37	-1.0	-51.98	322.21	2.62	-49.36
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007953337	0	34	-1.0	-53.16	299.38	2.07	-51.09
O=C([O-])COCCNS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007953338	0	34	-1.0	-58.17	316.80	2.26	-55.91
O=C([O-])COCCNS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007953339	0	34	-1.0	-54.31	305.49	2.04	-52.27
O=C([O-])COCCNS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007953340	0	35	-1.0	-50.85	331.68	4.22	-46.63
CN1CCCC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C21	REAL300007953341	0	41	-1.0	-53.20	343.90	2.76	-50.44
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007953342	0	31	-1.0	-48.90	304.42	1.43	-47.47
COC1=CC=CC(OC)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953343	0	37	-1.0	-56.05	323.67	2.72	-53.33
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953344	0	37	-1.0	-53.54	328.31	4.29	-49.25
CC1=CC=C(C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1[N+](=O)[O-]	REAL300007953345	0	37	-1.0	-62.16	325.86	5.18	-56.98
CC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007953346	0	37	-1.0	-48.28	328.36	4.30	-43.98
COC1=CC=C(CCS(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953347	0	39	-1.0	-52.56	344.45	3.00	-49.56
CC(C)(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])S1	REAL300007953348	0	38	-1.0	-49.35	342.68	3.85	-45.50
COC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC(OC)=C1	REAL300007953349	0	37	-1.0	-53.08	328.67	0.81	-52.27
CC1=CC=C(CCS(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953350	0	38	-1.0	-51.03	336.35	4.38	-46.65
CC1=CC2=C(C=C1S(=O)(=O)NCCOCC(=O)[O-])OCO2	REAL300007953351	0	35	-1.0	-48.92	310.47	1.78	-47.14
COC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1Cl	REAL300007953352	0	33	-1.0	-49.67	315.23	2.06	-47.61
CN1C=NC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C21	REAL300007953353	0	35	-1.0	-59.77	317.96	3.55	-56.22
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007953354	0	37	-1.0	-59.83	318.10	3.73	-56.10
CC1=NC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2O1	REAL300007953355	0	34	-1.0	-54.14	313.33	-0.14	-54.28
CCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1CC	REAL300007953356	0	41	-1.0	-50.87	346.76	4.76	-46.11
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953357	0	37	-1.0	-48.67	320.61	4.22	-44.45
COC1=CC(C)=CC(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953358	0	39	-1.0	-53.81	328.66	3.77	-50.04
NC1=NC=C(Cl)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953359	0	30	-1.0	-47.68	291.89	0.09	-47.59
CN(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=N1	REAL300007953360	0	36	-1.0	-51.65	318.46	2.02	-49.63
O=C([O-])COCCNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007953361	0	35	-1.0	-53.33	301.23	3.47	-49.86
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007953362	0	32	-1.0	-52.08	290.03	0.77	-51.31
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC(C)=C1F	REAL300007953363	0	35	-1.0	-49.23	316.72	3.55	-45.68
O=C([O-])COCCNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007953364	0	36	-1.0	-53.07	325.69	1.96	-51.11
O=C([O-])COCCNS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007953365	0	42	-1.0	-52.72	370.47	3.76	-48.96
O=C([O-])COCCNS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007953366	0	33	-1.0	-61.22	308.12	2.26	-58.96
O=C([O-])COCCNS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007953367	0	31	-1.0	-54.27	294.02	1.97	-52.30
O=C([O-])COCCNS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007953368	0	32	-1.0	-50.61	310.18	3.43	-47.18
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1Cl	REAL300007953369	0	32	-1.0	-48.92	305.16	3.30	-45.62
O=C([O-])COCCNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007953370	0	35	-1.0	-54.15	317.80	3.19	-50.96
CC1=CSC(C2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2)=N1	REAL300007953371	0	38	-1.0	-51.37	355.93	3.68	-47.69
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007953372	0	37	-1.0	-53.07	313.04	3.39	-49.68
O=C([O-])COCCNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007953373	0	36	-1.0	-56.93	334.80	0.06	-56.87
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007953374	0	38	-1.0	-56.25	331.46	2.56	-53.69
O=C([O-])COCCNS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007953375	0	32	-1.0	-50.40	313.32	3.41	-46.99
CCCCCCCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953376	0	54	-1.0	-49.90	450.04	7.14	-42.76
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953377	0	39	-1.0	-51.01	354.85	4.38	-46.63
CCC(C)OC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953378	0	42	-1.0	-53.58	359.72	3.87	-49.71
COC(CS(=O)(=O)NCCOCC(=O)[O-])C1CCCC1	REAL300007953379	0	42	-1.0	-50.98	347.04	2.52	-48.46
COC(CS(=O)(=O)NCCOCC(=O)[O-])C1CCCCC1	REAL300007953380	0	45	-1.0	-51.64	361.37	3.22	-48.42
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007953381	0	43	-1.0	-54.76	387.17	5.56	-49.20
CCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(C)C	REAL300007953382	0	48	-1.0	-49.88	401.15	5.26	-44.62
CCC1=NC(S(=O)(=O)NCCOCC(=O)[O-])=CN1CC1CC1	REAL300007953383	0	42	-1.0	-56.31	361.72	4.14	-52.17
O=C([O-])COCCNS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007953384	0	32	-1.0	-50.84	309.43	1.71	-49.13
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007953385	0	37	-1.0	-55.01	332.80	4.67	-50.34
CN1N=CC(C2CC2)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953386	0	36	-1.0	-50.07	316.25	2.09	-47.98
O=C([O-])COCCNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007953387	0	42	-1.0	-51.10	370.66	4.53	-46.57
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953388	0	32	-1.0	-48.44	311.30	0.82	-47.62
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007953389	0	40	-1.0	-50.70	370.32	6.31	-44.39
O=C([O-])COCCNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007953390	0	39	-1.0	-55.29	335.77	5.62	-49.67
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007953391	0	49	-1.0	-52.16	425.03	7.11	-45.05
CCC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=C(C)C=C1OC	REAL300007953392	0	42	-1.0	-49.10	355.54	3.88	-45.22
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007953393	0	35	-1.0	-48.80	340.91	4.08	-44.72
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NCCOCC(=O)[O-])=N1	REAL300007953394	1	31	-1.0	-59.42	296.79	1.20	-58.22
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CC=C2C=C1	REAL300007953395	0	38	-1.0	-51.65	320.42	5.28	-46.37
CC(C)OC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=N1	REAL300007953396	0	38	-1.0	-51.22	338.86	0.76	-50.46
COC1=C(F)C=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953397	0	33	-1.0	-50.32	294.33	2.31	-48.01
CCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(C)C	REAL300007953398	0	45	-1.0	-50.17	379.65	4.46	-45.71
CC(C)(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1F	REAL300007953399	0	41	-1.0	-48.62	347.92	4.47	-44.15
O=C([O-])COCCNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007953400	0	48	-1.0	-51.18	395.30	6.72	-44.46
CN1N=C2CCCCC2=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953401	0	39	-1.0	-51.18	328.66	2.24	-48.94
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C(C)(C)C)=N1	REAL300007953402	0	41	-1.0	-49.77	340.33	2.48	-47.29
O=C([O-])COCCNS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007953403	0	39	-1.0	-50.95	337.09	2.56	-48.39
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953404	0	32	-1.0	-47.31	295.92	0.79	-46.52
COC1=CC=C(F)C=C1CS(=O)(=O)NCCOCC(=O)[O-]	REAL300007953405	0	36	-1.0	-53.15	328.03	2.35	-50.80
C=CCCC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953406	0	39	-1.0	-50.31	346.88	4.99	-45.32
CCCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(C)C	REAL300007953407	0	51	-1.0	-50.80	422.65	6.04	-44.76
O=C([O-])COCCNS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007953408	0	33	-1.0	-50.16	318.32	3.90	-46.26
CCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(C)(C)C	REAL300007953409	0	51	-1.0	-49.86	413.71	5.92	-43.94
CCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1CC	REAL300007953410	0	45	-1.0	-50.93	384.24	4.72	-46.21
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953411	0	35	-1.0	-47.75	312.52	4.21	-43.54
CC1=CC(Br)=CC=C1CS(=O)(=O)NCCOCC(=O)[O-]	REAL300007953412	0	35	-1.0	-49.89	330.54	4.10	-45.79
O=C([O-])COCCNS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007953413	0	33	-1.0	-51.93	315.83	3.81	-48.12
CCCC1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953414	0	38	-1.0	-48.97	322.52	4.75	-44.22
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953415	0	45	-1.0	-54.80	384.24	4.97	-49.83
O=C([O-])COCCNS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007953416	0	34	-1.0	-58.69	305.83	2.76	-55.93
CSC1=CC=C(OC2=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C2)C=C1	REAL300007953417	0	44	-1.0	-51.21	398.54	6.07	-45.14
O=C([O-])COCCNS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007953418	0	36	-1.0	-51.13	319.58	1.89	-49.24
O=C([O-])COCCNS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007953419	0	36	-1.0	-50.82	312.02	1.82	-49.00
O=C([O-])COCCNS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007953420	0	39	-1.0	-50.24	329.12	2.56	-47.68
CC1(C)COC2=C(S(=O)(=O)NCCOCC(=O)[O-])C=NN2C1	REAL300007953421	0	40	-1.0	-54.01	340.60	0.26	-53.75
O=C([O-])COCCNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007953422	0	35	-1.0	-52.11	336.53	3.11	-49.00
O=C([O-])COCCNS(=O)(=O)C1=CN=C2CCCCN12	REAL300007953423	0	36	-1.0	-54.44	310.64	2.17	-52.27
CCCCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(C)C	REAL300007953424	0	54	-1.0	-49.81	444.15	6.82	-42.99
COC1=CC(C(C)C)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007953425	0	45	-1.0	-49.03	373.14	4.33	-44.70
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953426	0	39	-1.0	-51.70	334.51	3.55	-48.15
CCOCCOC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C(C)C	REAL300007953427	0	52	-1.0	-52.54	435.13	4.68	-47.86
CC1CC2=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C2O1	REAL300007953428	0	37	-1.0	-53.20	316.93	2.71	-50.49
CC(C)(C)C1=NC=C(S(=O)(=O)NCCOCC(=O)[O-])S1	REAL300007953429	0	37	-1.0	-50.66	338.36	1.87	-48.79
O=C([O-])COCCNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007953430	0	35	-1.0	-53.55	323.36	2.83	-50.72
CC1=NN2C=CC=NC2=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953431	0	34	-1.0	-59.83	310.38	1.81	-58.02
O=C([O-])COCCNS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007953432	0	33	-1.0	-51.87	317.67	2.45	-49.42
O=C([O-])COCCNS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007953433	0	30	-1.0	-48.33	284.57	0.99	-47.34
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007953434	0	32	-1.0	-50.97	308.54	3.63	-47.34
CN1N=C(C2CC2)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953435	0	36	-1.0	-51.20	320.61	1.98	-49.22
CC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=C1F	REAL300007953436	0	38	-1.0	-48.28	317.82	4.22	-44.06
COC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1OC	REAL300007953437	0	37	-1.0	-52.18	317.33	2.00	-50.18
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C2CCCC2)=N1	REAL300007953438	0	42	-1.0	-52.76	344.02	2.48	-50.28
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953439	0	41	-1.0	-54.15	348.86	2.81	-51.34
CCCCN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C)=N1	REAL300007953440	0	41	-1.0	-53.39	359.21	2.89	-50.50
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C2CC2)=N1	REAL300007953441	0	36	-1.0	-53.41	313.32	1.58	-51.83
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007953442	0	33	-1.0	-51.93	308.94	1.79	-50.14
CN1N=NC2=C(S(=O)(=O)NCCOCC(=O)[O-])C=CC=C21	REAL300007953443	0	34	-1.0	-57.85	308.05	0.62	-57.23
CC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1Br	REAL300007953444	0	35	-1.0	-47.41	323.89	4.29	-43.12
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007953445	0	35	-1.0	-50.59	337.90	3.34	-47.25
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C2CCC2)=N1	REAL300007953446	0	39	-1.0	-52.81	327.04	1.98	-50.83
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953447	0	47	-1.0	-48.73	383.84	6.22	-42.51
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007953448	0	35	-1.0	-51.83	340.90	4.08	-47.75
O=C([O-])COCCNS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007953449	0	39	-1.0	-55.04	343.66	2.84	-52.20
O=C([O-])COCCNS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007953450	0	33	-1.0	-51.13	301.27	3.18	-47.95
O=C([O-])COCCNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007953451	0	40	-1.0	-51.31	359.46	5.02	-46.29
COC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007953452	0	38	-1.0	-60.23	335.12	3.42	-56.81
CCCC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953453	0	38	-1.0	-50.72	334.08	4.42	-46.30
CN1N=C2CCCC2=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953454	0	36	-1.0	-52.40	314.38	1.76	-50.64
CC(C)(C)N1N=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953455	0	38	-1.0	-49.53	318.34	1.87	-47.66
CC(C)(C)N1C=C(S(=O)(=O)NCCOCC(=O)[O-])C=N1	REAL300007953456	0	38	-1.0	-54.13	334.18	1.91	-52.22
O=C([O-])COCCNS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007953457	0	36	-1.0	-52.47	319.15	1.26	-51.21
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CN=C1C(F)(F)F	REAL300007953458	0	34	-1.0	-51.53	320.61	2.02	-49.51
O=C([O-])COCCNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007953459	0	32	-1.0	-48.40	314.83	3.28	-45.12
CCCC(=O)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953460	0	40	-1.0	-59.99	354.27	4.24	-55.75
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007953461	0	40	-1.0	-50.45	338.36	5.28	-45.17
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007953462	0	35	-1.0	-50.17	332.10	3.25	-46.92
O=C([O-])COCCNS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007953463	0	35	-1.0	-50.27	312.13	2.65	-47.62
O=C([O-])COCCNS(=O)(=O)CC1=NOC2=C1COCC2	REAL300007953464	0	36	-1.0	-56.14	322.74	0.54	-55.60
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953465	0	39	-1.0	-50.29	365.88	2.98	-47.31
O=C([O-])COCCNS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007953466	0	29	-1.0	-53.56	288.96	2.60	-50.96
O=C([O-])COCCNS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007953467	0	39	-1.0	-53.15	335.67	2.62	-50.53
CCC(C)N1N=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953468	0	38	-1.0	-50.03	329.64	2.10	-47.93
CN(C1CCCCCC1)S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953469	0	43	-1.0	-49.45	340.33	3.20	-46.25
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C2CCOCC2)=N1	REAL300007953470	0	43	-1.0	-52.92	368.18	1.33	-51.59
CC(F)(F)C1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953471	0	35	-1.0	-53.50	322.90	3.74	-49.76
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007953472	0	33	-1.0	-53.11	308.94	1.79	-51.32
O=C([O-])COCCNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007953473	0	44	-1.0	-49.38	365.20	4.87	-44.51
CC1=CC(C)=C(S(=O)(=O)NCCOCC(=O)[O-])C2=NC=CC=C12	REAL300007953474	0	40	-1.0	-55.77	341.14	4.56	-51.21
O=C([O-])COCCNS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007953475	0	37	-1.0	-51.27	323.31	2.20	-49.07
CCOCC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953476	0	39	-1.0	-52.13	346.61	2.89	-49.24
O=C([O-])COCCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007953477	0	32	-1.0	-51.95	328.97	4.21	-47.74
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953478	0	39	-1.0	-52.39	349.37	3.39	-49.00
O=C([O-])COCCNS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007953479	0	42	-1.0	-50.73	356.08	3.15	-47.58
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007953480	0	40	-1.0	-50.72	358.38	5.05	-45.67
CC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC(C)=C1Br	REAL300007953481	0	35	-1.0	-49.18	327.38	3.95	-45.23
O=C([O-])COCCNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007953482	0	32	-1.0	-51.95	328.97	4.21	-47.74
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C2=CC=CC=C12	REAL300007953483	0	38	-1.0	-53.66	328.43	5.09	-48.57
CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007953484	0	39	-1.0	-53.37	336.94	3.11	-50.26
O=C([O-])COCCNS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007953485	0	33	-1.0	-50.03	308.00	3.45	-46.58
O=C([O-])COCCNS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007953486	0	33	-1.0	-50.11	322.88	4.00	-46.11
O=C([O-])COCCNS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007953487	0	33	-1.0	-49.61	322.88	4.01	-45.60
O=C([O-])COCCNS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007953488	0	34	-1.0	-57.55	312.88	-3.85	-61.40
O=C([O-])COCCNS(=O)(=O)C1CCC(F)(F)CC1	REAL300007953489	0	35	-1.0	-51.73	306.27	2.70	-49.03
O=C([O-])COCCNS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007953490	0	31	-1.0	-54.86	300.64	1.60	-53.26
CC1=NC(S(=O)(=O)NCCOCC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007953491	0	38	-1.0	-53.42	343.55	1.39	-52.03
O=C([O-])COCCNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007953492	0	46	-1.0	-49.83	346.69	5.08	-44.75
O=C([O-])COCCNS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007953493	0	32	-1.0	-57.26	300.67	-2.12	-59.38
CC(C)(CS(=O)(=O)NCCOCC(=O)[O-])C(C)(F)F	REAL300007953494	0	37	-1.0	-50.77	308.68	2.66	-48.11
CS(=O)(=O)CCCCS(=O)(=O)NCCOCC(=O)[O-]	REAL300007953495	0	37	-1.0	-61.62	340.17	-1.00	-62.62
CC1(C)CCC(CS(=O)(=O)NCCOCC(=O)[O-])OC1	REAL300007953496	0	42	-1.0	-52.53	343.95	2.56	-49.97
O=C([O-])COCCNS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007953497	0	33	-1.0	-54.14	317.67	1.23	-52.91
O=C([O-])COCCNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007953498	0	39	-1.0	-53.62	352.98	5.09	-48.53
O=C([O-])COCCNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007953499	0	38	-1.0	-52.42	323.74	-0.36	-52.78
O=C([O-])COCCNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007953500	0	42	-1.0	-49.79	337.25	4.20	-45.59
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007953501	0	33	-1.0	-49.54	313.51	3.51	-46.03
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C21	REAL300007953502	0	51	-1.0	-50.35	399.27	6.38	-43.97
COC1=CC=C(C=C(C)S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953503	0	40	-1.0	-51.04	343.02	3.08	-47.96
COC1=CSC(S(=O)(=O)NCCOCC(=O)[O-])=C1OC	REAL300007953504	0	34	-1.0	-51.92	318.46	0.07	-51.85
O=C([O-])COCCNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007953505	0	41	-1.0	-48.80	330.14	2.66	-46.14
CN(CCC1=CC=CC=C1)S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953506	0	40	-1.0	-51.60	349.96	4.10	-47.50
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007953507	0	33	-1.0	-52.99	318.38	3.00	-49.99
COC1=CC(F)=C(S(=O)(=O)NCCOCC(=O)[O-])C(F)=C1	REAL300007953508	0	33	-1.0	-52.04	307.68	1.77	-50.27
O=C([O-])COCCNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007953509	0	33	-1.0	-51.10	315.18	1.85	-49.25
CN1N=C2C=CC=CC2=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953510	0	35	-1.0	-52.50	314.10	2.15	-50.35
CN1C=CC2=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C21	REAL300007953511	0	36	-1.0	-54.01	323.40	3.97	-50.04
O=C([O-])COCCNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007953512	0	38	-1.0	-49.87	348.56	2.69	-47.18
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953513	0	42	-1.0	-53.19	363.48	4.62	-48.57
O=C([O-])COCCNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007953514	0	40	-1.0	-51.19	360.11	5.12	-46.07
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953515	0	35	-1.0	-55.69	306.52	4.22	-51.47
O=C([O-])COCCNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007953516	0	30	-1.0	-51.34	304.85	1.07	-50.27
C=C(C)COC1=CC=CC(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953517	0	40	-1.0	-54.23	353.36	3.83	-50.40
CCN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C(C2CC2)=N1	REAL300007953518	0	39	-1.0	-53.13	334.85	2.45	-50.68
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C2=NSN=C2C=C1	REAL300007953519	0	33	-1.0	-51.84	307.70	1.59	-50.25
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007953520	0	35	-1.0	-50.16	332.33	4.98	-45.18
O=C([O-])COCCNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007953521	0	39	-1.0	-50.29	360.61	6.14	-44.15
O=C([O-])COCCNS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007953522	0	28	-1.0	-55.28	297.02	0.18	-55.10
CCC1=CC(S(=O)(=O)NCCOCC(=O)[O-])=CC=C1Br	REAL300007953523	0	35	-1.0	-48.74	328.73	4.07	-44.67
CC1=NN(C2CCCC2)C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953524	0	42	-1.0	-50.68	356.45	3.39	-47.29
COCCC1=CC=C(OC)C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953525	0	43	-1.0	-53.03	366.78	2.53	-50.50
O=C([O-])COCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007953526	0	35	-1.0	-51.16	317.04	4.51	-46.65
CN1N=C2CCOCC2=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953527	0	37	-1.0	-51.36	320.33	-0.11	-51.47
O=C([O-])COCCNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1	REAL300007953528	0	35	-1.0	-52.20	334.52	2.03	-50.17
O=C([O-])COCCNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007953529	0	44	-1.0	-51.67	371.57	2.59	-49.08
COC1=NC=C(Cl)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953530	0	32	-1.0	-49.84	304.77	-0.11	-49.95
COC1=NC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1C	REAL300007953531	0	35	-1.0	-51.30	317.00	-0.38	-51.68
CC(C)CN1C=C(S(=O)(=O)NCCOCC(=O)[O-])C=N1	REAL300007953532	0	38	-1.0	-54.04	332.63	2.35	-51.69
CC1=NN(C(C)C)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953533	0	38	-1.0	-52.71	333.32	1.90	-50.81
O=C([O-])COCCNS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007953534	0	39	-1.0	-51.22	331.91	-0.02	-51.24
COCC1=CC(CS(=O)(=O)NCCOCC(=O)[O-])=NO1	REAL300007953535	0	35	-1.0	-56.39	324.03	0.07	-56.32
O=C([O-])COCCNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007953536	0	34	-1.0	-50.35	322.83	4.45	-45.90
CC(C)(C)C1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])N=C1	REAL300007953537	0	40	-1.0	-51.71	339.34	2.80	-48.91
O=C([O-])COCCNS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007953538	0	36	-1.0	-49.53	318.29	2.37	-47.16
O=C([O-])COCCNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007953539	0	36	-1.0	-51.58	324.92	3.47	-48.11
O=C([O-])COCCNS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007953540	0	31	-1.0	-52.91	295.13	1.34	-51.57
O=C([O-])COCCNS(=O)(=O)N1CCC2=CC=CN=C21	REAL300007953541	0	34	-1.0	-53.09	304.82	2.59	-50.50
CC1=C(S(=O)(=O)NCCOCC(=O)[O-])C=NN1C(C)C	REAL300007953542	0	38	-1.0	-49.06	332.96	2.00	-47.06
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C=C1	REAL300007953543	0	43	-1.0	-51.62	378.49	5.77	-45.85
O=C([O-])COCCNS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007953544	0	34	-1.0	-55.48	303.55	2.87	-52.61
O=C([O-])COCCNS(=O)(=O)N1CC=C(Br)CC1	REAL300007953545	0	32	-1.0	-48.40	301.14	1.93	-46.47
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953546	0	37	-1.0	-59.61	327.95	-1.99	-61.60
COC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C(C(F)F)=C1	REAL300007953547	0	36	-1.0	-53.56	321.27	2.85	-50.71
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953548	0	35	-1.0	-49.83	326.91	0.35	-49.48
O=C([O-])COCCNS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007953549	0	34	-1.0	-51.96	306.28	2.64	-49.32
CCOC1=CC=CN=C1S(=O)(=O)NCCOCC(=O)[O-]	REAL300007953550	0	35	-1.0	-56.69	312.03	1.59	-55.10
CC1=CC=C(S(=O)(=O)NCCOCC(=O)[O-])C2=NC=CC=C12	REAL300007953551	0	37	-1.0	-56.62	319.64	3.85	-52.77
O=C([O-])COCCNS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007953552	0	31	-1.0	-55.80	300.68	1.18	-54.62
O=C([O-])COCCNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300007953553	0	36	-1.0	-52.12	335.32	2.84	-49.28
CC1=CC=C(OC(C)C)C(S(=O)(=O)NCCOCC(=O)[O-])=C1	REAL300007953554	0	42	-1.0	-52.31	349.57	4.16	-48.15
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC2CC2C1	REAL300007953555	0	39	-1.0	-47.94	326.66	6.04	-41.90
CC1(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CC2CC2C1	REAL300007953556	0	39	-1.0	-52.08	326.68	6.03	-46.05
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953557	0	42	-1.0	-54.76	341.34	6.92	-47.84
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953558	0	43	-1.0	-54.55	347.07	5.86	-48.69
CC1=CC=C(S(=O)(=O)NCC2(C)CC3CC3C2)C=C1C(=O)[O-]	REAL300007953559	0	42	-1.0	-51.05	342.69	6.57	-44.48
CC1(CNS(=O)(=O)C2=C(C(=O)[O-])SC=C2)CC2CC2C1	REAL300007953560	0	36	-1.0	-45.89	309.83	5.81	-40.08
CC1(CNS(=O)(=O)C2=CC=CC(C(=O)[O-])=C2)CC2CC2C1	REAL300007953561	0	39	-1.0	-52.08	326.68	6.03	-46.05
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)CC2CC2C1	REAL300007953562	0	39	-1.0	-47.94	326.66	6.04	-41.90
CC1(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])CC2CC2C1	REAL300007953563	0	39	-1.0	-49.32	315.93	6.90	-42.42
CC1(CNS(=O)(=O)C2=CN(CC(=O)[O-])N=C2)CC2CC2C1	REAL300007953564	0	39	-1.0	-50.78	331.26	4.17	-46.61
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])S2)CC2CC2C1	REAL300007953565	0	36	-1.0	-46.45	318.95	5.16	-41.29
CC1(CNS(=O)(=O)N2CCCC(C(=O)[O-])C2)CC2CC2C1	REAL300007953566	0	44	-1.0	-47.21	342.72	5.10	-42.11
CC1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC2CC2C1	REAL300007953567	0	44	-1.0	-46.74	336.71	4.88	-41.86
CC1(CNS(=O)(=O)C2=CC=CC=C2C(=O)[O-])CC2CC2C1	REAL300007953568	0	39	-1.0	-49.32	315.93	6.90	-42.42
CC1(CNS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)[O-])CC2CC2C1	REAL300007953569	0	39	-1.0	-42.84	332.72	7.41	-35.43
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C)CC3CC3C2)O1	REAL300007953570	0	39	-1.0	-48.60	329.66	4.86	-43.74
CC1(CNS(=O)(=O)N2CCCC2C(=O)[O-])CC2CC2C1	REAL300007953571	0	41	-1.0	-44.94	326.25	4.86	-40.08
CC1(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CC2CC2C1	REAL300007953572	0	42	-1.0	-57.41	350.46	6.76	-50.65
CC1(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)CC2CC2C1	REAL300007953573	0	44	-1.0	-46.74	336.71	4.88	-41.86
CC1(CNS(=O)(=O)CC2=CC=CC(C(=O)[O-])=C2)CC2CC2C1	REAL300007953574	0	42	-1.0	-59.02	350.46	6.75	-52.27
CC1(CNS(=O)(=O)C2=CC=C(OCC(=O)[O-])C=C2)CC2CC2C1	REAL300007953575	0	43	-1.0	-47.60	357.75	6.32	-41.28
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953576	0	43	-1.0	-44.20	357.52	6.99	-37.21
CC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC2CC2C1	REAL300007953577	0	36	-1.0	-48.61	319.86	5.06	-43.55
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(C)CC3CC3C2)=C1C	REAL300007953578	0	45	-1.0	-56.07	358.30	7.46	-48.61
CC1=CC=CC(S(=O)(=O)NCC2(C)CC3CC3C2)=C1C(=O)[O-]	REAL300007953579	0	42	-1.0	-53.24	343.59	7.07	-46.17
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(C)CC3CC3C2)=C1	REAL300007953580	0	46	-1.0	-52.96	381.75	5.74	-47.22
CC1(CNS(=O)(=O)C2=CSC(C(=O)[O-])=C2)CC2CC2C1	REAL300007953581	0	36	-1.0	-50.36	318.33	5.05	-45.31
CC1(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C(=O)[O-])CC2CC2C1	REAL300007953582	0	42	-1.0	-41.31	355.04	7.90	-33.41
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953583	0	42	-1.0	-47.75	335.82	6.79	-40.96
CC1(CNS(=O)(=O)C2=C(C(=O)[O-])SC3=CC=CC=C32)CC2CC2C1	REAL300007953584	0	42	-1.0	-51.51	354.20	8.34	-43.17
CC1(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C=C2)CC2CC2C1	REAL300007953585	0	42	-1.0	-48.10	348.85	6.82	-41.28
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C)CC3CC3C2)C=C1[N+](=O)[O-]	REAL300007953586	0	44	-1.0	-41.35	364.94	7.06	-34.29
CC1(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CC2CC2C1	REAL300007953587	0	42	-1.0	-51.11	348.84	6.81	-44.30
CC1=C(S(=O)(=O)NCC2(C)CC3CC3C2)C=C(C(=O)[O-])O1	REAL300007953588	0	39	-1.0	-52.10	331.43	5.12	-46.98
CC1(CNS(=O)(=O)C2=CN=CC(C(=O)[O-])=C2)CC2CC2C1	REAL300007953589	0	38	-1.0	-46.05	321.84	4.23	-41.82
CC1(CNS(=O)(=O)C2=CSN=C2C(=O)[O-])CC2CC2C1	REAL300007953590	0	35	-1.0	-49.71	304.17	4.28	-45.43
CC1(CNS(=O)(=O)C2=C(C(=O)[O-])N=CS2)CC2CC2C1	REAL300007953591	0	35	-1.0	-61.59	301.80	3.55	-58.04
CC1(CNS(=O)(=O)C2=CC=CN=C2C(=O)[O-])CC2CC2C1	REAL300007953592	0	38	-1.0	-52.72	312.88	5.11	-47.61
CC1(CNS(=O)(=O)CCCCCC(=O)[O-])CC2CC2C1	REAL300007953593	0	44	-1.0	-52.65	355.70	6.23	-46.42
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])N=C2)CC2CC2C1	REAL300007953594	0	38	-1.0	-49.86	322.56	4.24	-45.62
CC1(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CC2CC2C1	REAL300007953595	0	39	-1.0	-46.17	343.41	6.54	-39.63
CC1(CNS(=O)(=O)C2=CC(Br)=CC(C(=O)[O-])=C2)CC2CC2C1	REAL300007953596	0	39	-1.0	-46.10	347.98	6.65	-39.45
COC1=CC=C(S(=O)(=O)NCC2(C)CC3CC3C2)C=C1C(=O)[O-]	REAL300007953597	0	43	-1.0	-57.69	353.97	6.10	-51.59
CC1=CC(S(=O)(=O)NCC2(C)CC3CC3C2)=CC=C1C(=O)[O-]	REAL300007953598	0	42	-1.0	-47.31	342.68	6.58	-40.73
CC1(CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])N=CC=C23)CC2CC2C1	REAL300007953599	0	44	-1.0	-51.52	359.39	6.43	-45.09
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(C)CC3CC3C2)=C1	REAL300007953600	0	46	-1.0	-52.96	381.75	5.74	-47.22
CC1(CNS(=O)(=O)C2=CC(Cl)=CC(C(=O)[O-])=C2)CC2CC2C1	REAL300007953601	0	39	-1.0	-46.17	343.41	6.54	-39.63
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953602	0	39	-1.0	-48.54	327.20	6.63	-41.91
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953603	0	42	-1.0	-49.34	355.34	7.36	-41.98
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3(C)CC4CC4C3)C=C21	REAL300007953604	0	45	-1.0	-50.44	373.64	7.37	-43.07
CC1(CNS(=O)(=O)CC2=CC=C(C(=O)[O-])C=C2)CC2CC2C1	REAL300007953605	0	42	-1.0	-57.41	350.46	6.76	-50.65
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953606	0	43	-1.0	-54.55	347.07	5.86	-48.69
CC1=CC=C(S(=O)(=O)NCC2(C)CC3CC3C2)C=C1C(=O)[O-]	REAL300007953607	0	42	-1.0	-51.05	342.69	6.57	-44.48
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953608	0	42	-1.0	-54.76	341.34	6.92	-47.84
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953609	0	43	-1.0	-44.93	360.98	6.04	-38.89
CC1(CNS(=O)(=O)CC2(CC(=O)[O-])CC2)CC2CC2C1	REAL300007953610	0	42	-1.0	-47.58	337.02	5.92	-41.66
CC1(CNS(=O)(=O)C2=CC=CC(CC(=O)[O-])=C2)CC2CC2C1	REAL300007953611	0	42	-1.0	-51.11	348.84	6.81	-44.30
COC1=C(S(=O)(=O)NCC2(C)CC3CC3C2)SC(C(=O)[O-])=C1	REAL300007953612	0	40	-1.0	-46.34	344.90	4.31	-42.03
CC1(CNS(=O)(=O)C2=CC=C3OC(C(=O)[O-])CC3=C2)CC2CC2C1	REAL300007953613	0	44	-1.0	-48.46	363.49	6.70	-41.76
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(F)(F)F)=C2)CC2CC2C1	REAL300007953614	0	42	-1.0	-46.52	356.79	6.84	-39.68
CC1(CNS(=O)(=O)C2=CC=C(C3(C(=O)[O-])CC3)C=C2)CC2CC2C1	REAL300007953615	0	46	-1.0	-52.34	372.80	7.92	-44.42
CCC1=C(S(=O)(=O)NCC2(C)CC3CC3C2)C=C(C(=O)[O-])O1	REAL300007953616	0	42	-1.0	-51.75	351.01	5.94	-45.81
CC1(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(=O)[O-])CC2CC2C1	REAL300007953617	0	41	-1.0	-43.22	344.14	7.56	-35.66
CC1(CNS(=O)(=O)C2=CC=C3SC(C(=O)[O-])=CC3=C2)CC2CC2C1	REAL300007953618	0	42	-1.0	-50.57	364.54	7.53	-43.04
CC1(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C(=O)[O-])CC2CC2C1	REAL300007953619	0	41	-1.0	-38.18	344.19	7.56	-30.62
CC1=NC=C(S(=O)(=O)NCC2(C)CC3CC3C2)C=C1C(=O)[O-]	REAL300007953620	0	41	-1.0	-45.32	338.14	4.75	-40.57
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953621	0	43	-1.0	-47.58	347.10	5.86	-41.72
COC1=CC(S(=O)(=O)NCC2(C)CC3CC3C2)=CC=C1C(=O)[O-]	REAL300007953622	0	43	-1.0	-53.07	353.96	6.11	-46.96
COC1=CC=C(S(=O)(=O)NCC2(C)CC3CC3C2)C(CC(=O)[O-])=C1	REAL300007953623	0	46	-1.0	-56.86	368.64	6.51	-50.35
CC1(CNS(=O)(=O)C2=CC=C(CC(=O)[O-])C(F)=C2)CC2CC2C1	REAL300007953624	0	42	-1.0	-47.28	354.31	6.86	-40.42
CC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)CC2CC2C1	REAL300007953625	0	42	-1.0	-45.36	365.73	7.03	-38.33
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC2(C)CC3CC3C2)C=C1	REAL300007953626	0	48	-1.0	-46.72	381.60	7.72	-39.00
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953627	0	39	-1.0	-50.34	310.78	4.15	-46.19
CC1(CNS(=O)(=O)C2=CC=CC3=C(C(=O)[O-])C=CC=C23)CC2CC2C1	REAL300007953628	0	45	-1.0	-49.80	362.90	8.25	-41.55
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2(C)CC3CC3C2)=C1	REAL300007953629	0	39	-1.0	-49.40	329.40	4.99	-44.41
CC1(CNS(=O)(=O)C2=CC(Br)=CC=C2C(=O)[O-])CC2CC2C1	REAL300007953630	0	39	-1.0	-42.76	337.29	7.51	-35.25
CC1(CNS(=O)(=O)C2=CC=C(Cl)C(C(=O)[O-])=C2)CC2CC2C1	REAL300007953631	0	39	-1.0	-49.99	339.18	6.42	-43.57
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2(C)CC3CC3C2)=C1	REAL300007953632	0	43	-1.0	-47.63	345.45	6.21	-41.42
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NCC2(C)CC3CC3C2)=C1OC	REAL300007953633	0	51	-1.0	-49.31	405.64	7.14	-42.17
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953634	0	39	-1.0	-50.34	310.78	4.15	-46.19
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953636	0	46	-1.0	-52.71	372.98	6.15	-46.56
CC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=N2)CC2CC2C1	REAL300007953637	0	38	-1.0	-46.82	322.89	4.15	-42.67
CC1(CNS(=O)(=O)CC2=CC=CC=C2C(=O)[O-])CC2CC2C1	REAL300007953638	0	42	-1.0	-55.37	340.45	7.19	-48.18
CC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC2CC2C1	REAL300007953639	0	36	-1.0	-44.95	326.35	4.68	-40.27
CC1(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C3=CC=CC=C32)CC2CC2C1	REAL300007953640	0	45	-1.0	-49.92	362.56	8.26	-41.66
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953641	0	46	-1.0	-54.01	367.07	6.71	-47.30
COC1=CC=C(S(=O)(=O)NCC2(C)CC3CC3C2)C(C(=O)[O-])=C1	REAL300007953642	0	43	-1.0	-50.04	345.39	6.19	-43.85
CC1(CNS(=O)(=O)C2=CC=NC(C(=O)[O-])=C2)CC2CC2C1	REAL300007953643	0	38	-1.0	-54.19	322.76	4.25	-49.94
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC2CC2C1	REAL300007953644	0	39	-1.0	-53.46	328.18	3.78	-49.68
CC1(CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])C=C3C=C2)CC2CC2C1	REAL300007953645	0	45	-1.0	-51.32	372.57	8.30	-43.02
CC1(CNS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC2CC2C1	REAL300007953646	0	42	-1.0	-53.85	326.14	5.45	-48.40
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C)CC3CC3C2)S1	REAL300007953647	0	39	-1.0	-48.56	336.75	5.72	-42.84
CC1(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2C(=O)[O-])CC2CC2C1	REAL300007953648	0	45	-1.0	-52.23	361.66	9.18	-43.05
CC1(CNS(=O)(=O)C2=CC(C(=O)[O-])=CC=C2C(F)(F)F)CC2CC2C1	REAL300007953649	0	42	-1.0	-45.31	351.44	7.59	-37.72
CC1(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC2CC2C1	REAL300007953650	0	42	-1.0	-56.08	339.26	7.20	-48.88
CC1(CNS(=O)(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)CC2CC2C1	REAL300007953651	0	39	-1.0	-47.57	356.40	6.62	-40.95
CC1(CNS(=O)(=O)C2=C3C=CC=CN3C(C(=O)[O-])=N2)CC2CC2C1	REAL300007953652	0	42	-1.0	-65.28	353.01	4.67	-60.61
CC1(CNS(=O)(=O)C2=C3C=CC(C(=O)[O-])=CN3C=N2)CC2CC2C1	REAL300007953653	0	42	-1.0	-44.88	352.61	7.38	-37.50
CC1(CNS(=O)(=O)N2CCCCC2C(=O)[O-])CC2CC2C1	REAL300007953654	0	44	-1.0	-49.67	333.73	6.10	-43.57
CC1(CNS(=O)(=O)N2CCC[C@H]2C(=O)[O-])CC2CC2C1	REAL300007953655	0	41	-1.0	-57.52	320.26	4.92	-52.60
CC1(CNS(=O)(=O)C2=C(C(=O)[O-])SC(Cl)=C2)CC2CC2C1	REAL300007953656	0	36	-1.0	-40.93	326.84	6.45	-34.48
CC1=CC(S(=O)(=O)NCC2(C)CC3CC3C2)=CN=C1C(=O)[O-]	REAL300007953657	0	41	-1.0	-50.45	339.35	4.79	-45.66
CC1(CNS(=O)(=O)C2=CC=CC=C2CC(=O)[O-])CC2CC2C1	REAL300007953658	0	42	-1.0	-56.08	339.26	7.20	-48.88
CCOC1=CC=C(S(=O)(=O)NCC2(C)CC3CC3C2)C=C1C(=O)[O-]	REAL300007953659	0	46	-1.0	-57.71	375.81	7.01	-50.70
CC1(CNS(=O)(=O)C2=CC=C3CC(C(=O)[O-])CC3=C2)CC2CC2C1	REAL300007953660	0	46	-1.0	-51.65	372.13	7.92	-43.73
CC1(CNS(=O)(=O)C2=CN=CC=C2C(=O)[O-])CC2CC2C1	REAL300007953661	0	38	-1.0	-43.39	311.52	5.10	-38.29
CC1(CNS(=O)(=O)C2=CC3=CC=C(C(=O)[O-])N=C3C=C2)CC2CC2C1	REAL300007953662	0	44	-1.0	-54.67	368.43	6.41	-48.26
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(C)(C)F	REAL300007953663	0	35	-1.0	-56.41	301.19	3.45	-52.96
CC(C)(F)CNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007953664	0	31	-1.0	-43.96	286.63	4.98	-38.98
CC(C)(F)CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007953665	0	35	-1.0	-48.75	311.56	3.89	-44.86
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC(C)(C)F	REAL300007953666	0	35	-1.0	-44.55	319.51	4.58	-39.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC(C)(C)F)=C1C	REAL300007953667	0	37	-1.0	-56.21	312.01	5.04	-51.17
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC(C)(C)F)=C1	REAL300007953668	0	38	-1.0	-51.29	335.88	3.34	-47.95
CC(C)(F)CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007953669	0	34	-1.0	-42.55	308.59	5.47	-37.08
CC(C)(F)CNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007953670	0	34	-1.0	-54.71	308.33	5.95	-48.76
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC(C)(C)F)C=C1[N+](=O)[O-]	REAL300007953671	0	36	-1.0	-43.97	319.04	4.66	-39.31
CC(C)(F)CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007953672	0	31	-1.0	-49.06	297.52	4.14	-44.92
CC(C)(F)CNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300007953673	0	31	-1.0	-48.96	302.09	4.24	-44.72
COC1=CC=C(S(=O)(=O)NCC(C)(C)F)C=C1C(=O)[O-]	REAL300007953674	0	35	-1.0	-55.79	308.09	3.70	-52.09
CC(C)(F)CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007953675	0	36	-1.0	-51.83	313.27	4.03	-47.80
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC(C)(C)F)=C1	REAL300007953676	0	38	-1.0	-51.29	335.88	3.34	-47.95
CC(C)(F)CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007953677	0	31	-1.0	-49.06	297.52	4.14	-44.92
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC(C)(C)F	REAL300007953678	0	34	-1.0	-47.73	309.30	4.96	-42.77
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC(C)(C)F)C=C12	REAL300007953679	0	37	-1.0	-52.28	327.76	4.97	-47.31
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(C)(C)F	REAL300007953680	0	35	-1.0	-56.41	301.19	3.45	-52.96
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC(C)(C)F	REAL300007953681	0	35	-1.0	-45.12	314.76	3.63	-41.49
COC1=C(S(=O)(=O)NCC(C)(C)F)SC(C(=O)[O-])=C1	REAL300007953682	0	32	-1.0	-47.20	298.97	1.91	-45.29
CC1=C(Br)C=C(S(=O)(=O)NCC(C)(C)F)C=C1C(=O)[O-]	REAL300007953683	0	34	-1.0	-46.41	318.35	4.77	-41.64
CC(C)(F)CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007953684	0	36	-1.0	-48.99	317.33	4.27	-44.72
CC(C)(F)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007953685	0	34	-1.0	-47.38	310.63	4.42	-42.96
CC(C)(F)CNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007953686	0	38	-1.0	-51.67	324.77	5.46	-46.21
CC(C)(F)CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007953687	0	33	-1.0	-47.58	298.37	5.17	-42.41
CC(C)(F)CNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007953688	0	34	-1.0	-50.73	318.38	5.10	-45.63
CC(C)(F)CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007953689	0	33	-1.0	-39.51	298.04	5.13	-34.38
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC(C)(C)F	REAL300007953690	0	35	-1.0	-48.36	300.93	3.43	-44.93
COC1=CC(S(=O)(=O)NCC(C)(C)F)=CC=C1C(=O)[O-]	REAL300007953691	0	35	-1.0	-54.31	308.07	3.71	-50.60
COC1=CC=C(S(=O)(=O)NCC(C)(C)F)C(CC(=O)[O-])=C1	REAL300007953692	0	38	-1.0	-58.97	323.10	4.10	-54.87
CC(C)(F)CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007953693	0	34	-1.0	-50.43	308.38	4.45	-45.98
CC(C)(F)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007953694	0	34	-1.0	-44.89	319.22	4.60	-40.29
CC(C)(F)CNS(=O)(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1	REAL300007953695	0	40	-1.0	-50.51	333.96	5.27	-45.24
CC(C)(F)CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007953696	0	37	-1.0	-50.18	316.75	5.82	-44.36
CC(C)(F)CNS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300007953697	0	31	-1.0	-46.48	291.49	5.12	-41.36
CC(C)(F)CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007953698	0	31	-1.0	-49.32	293.02	4.00	-45.32
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC(C)(C)F)=C1	REAL300007953699	0	35	-1.0	-48.62	299.29	3.77	-44.85
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NCC(C)(C)F)=C1OC	REAL300007953700	0	43	-1.0	-50.17	359.48	4.71	-45.46
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(C)(C)F	REAL300007953702	0	38	-1.0	-52.82	326.72	3.77	-49.05
CC(C)(F)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007953703	0	37	-1.0	-50.07	316.36	5.84	-44.23
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC(C)(C)F	REAL300007953704	0	38	-1.0	-55.80	323.04	4.38	-51.42
COC1=CC=C(S(=O)(=O)NCC(C)(C)F)C(C(=O)[O-])=C1	REAL300007953705	0	35	-1.0	-50.97	299.15	3.77	-47.20
CC(C)(F)CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007953706	0	37	-1.0	-52.36	326.69	5.89	-46.47
CC(C)(F)CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007953707	0	37	-1.0	-56.13	315.89	6.80	-49.33
CC(C)(F)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007953708	0	34	-1.0	-46.31	305.18	5.20	-41.11
CC(C)(F)CNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007953709	0	31	-1.0	-48.74	310.52	4.22	-44.52
CC(C)(F)CNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007953710	0	34	-1.0	-61.11	306.55	2.38	-58.73
CC(C)(F)CNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007953711	0	34	-1.0	-45.25	307.40	4.86	-40.39
CC(C)(F)CNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007953712	0	28	-1.0	-44.28	280.96	4.04	-40.24
CCOC1=CC=C(S(=O)(=O)NCC(C)(C)F)C=C1C(=O)[O-]	REAL300007953713	0	38	-1.0	-59.37	329.65	4.58	-54.79
CC(C)(F)CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007953714	0	38	-1.0	-50.90	326.23	5.52	-45.38
CC(C)(F)CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007953715	0	36	-1.0	-56.26	322.55	4.01	-52.25
O=C([O-])C1=CC(S(=O)(=O)NC2C3CC4=C(Br)C=CC=C4C32)=CN1	REAL300007953716	0	35	-1.0	-49.48	334.74	5.46	-44.02
O=C([O-])C1=CNN=C1S(=O)(=O)NC1C2CC3=C(Br)C=CC=C3C21	REAL300007953717	0	34	-1.0	-53.69	322.41	4.75	-48.94
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3CC4=C(Br)C=CC=C4C32)O1	REAL300007953718	0	34	-1.0	-47.75	330.99	6.10	-41.65
O=C([O-])CCCS(=O)(=O)NC1C2CC3=C(Br)C=CC=C3C21	REAL300007953719	0	36	-1.0	-52.23	336.49	6.21	-46.02
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3CC4=C(Br)C=CC=C4C32)O1	REAL300007953720	0	34	-1.0	-47.75	330.99	6.10	-41.65
O=C([O-])CCCS(=O)(=O)NC1C2CC3=C(Br)C=CC=C3C21	REAL300007953721	0	36	-1.0	-52.23	336.49	6.21	-46.02
O=C([O-])C1=COC(S(=O)(=O)NC2C3CC4=C(Br)C=CC=C4C32)=C1	REAL300007953722	0	34	-1.0	-50.27	331.30	5.83	-44.44
CN(CCC(=O)[O-])S(=O)(=O)NC1C2CC3=C(Br)C=CC=C3C21	REAL300007953723	0	38	-1.0	-51.70	344.83	5.92	-45.78
O=C([O-])C1=C(S(=O)(=O)NC2C3CC4=C(Br)C=CC=C4C32)OC=C1	REAL300007953724	0	34	-1.0	-52.90	327.47	6.44	-46.46
O=C([O-])C1(S(=O)(=O)NC2C3CC4=C(Br)C=CC=C4C32)CCC1	REAL300007953725	0	37	-1.0	-44.83	329.68	6.85	-37.98
O=C([O-])C1=CNN=C1S(=O)(=O)NC1C2CC3=C(Br)C=CC=C3C21	REAL300007953726	0	34	-1.0	-53.69	322.41	4.75	-48.94
O=C([O-])C1=CC(S(=O)(=O)NC2C3CC4=C(Br)C=CC=C4C32)=NN1	REAL300007953727	0	34	-1.0	-44.46	333.76	3.81	-40.65
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC2C3CC4=C(Br)C=CC=C4C32)C1	REAL300007953728	0	37	-1.0	-55.26	336.41	6.85	-48.41
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NC1C2CC3=C(Br)C=CC=C3C21	REAL300007953729	0	37	-1.0	-54.48	343.03	7.04	-47.44
O=C([O-])C1=CC(S(=O)(=O)NC2C3CC4=C(Br)C=CC=C4C32)=NN1	REAL300007953730	0	34	-1.0	-44.46	333.76	3.81	-40.65
O=C([O-])C1=CNN=C1S(=O)(=O)NC1C2CC3=C(Br)C=CC=C3C21	REAL300007953731	0	34	-1.0	-53.69	322.41	4.75	-48.94
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NC1C2CC3=C(Br)C=CC=C3C21	REAL300007953732	0	37	-1.0	-59.49	326.76	7.43	-52.06
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007953733	0	48	-1.0	-55.83	404.19	9.33	-46.50
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007953734	0	48	-1.0	-56.24	400.32	9.22	-47.02
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007953735	0	45	-1.0	-50.78	382.27	8.71	-42.07
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007953736	0	48	-1.0	-56.24	400.32	9.22	-47.02
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007953737	0	48	-1.0	-55.83	404.19	9.33	-46.50
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007953738	0	48	-1.0	-46.20	376.77	9.67	-36.53
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007953739	0	46	-1.0	-54.90	391.32	6.74	-48.16
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007953740	0	48	-1.0	-55.47	412.54	7.07	-48.40
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007953741	0	45	-1.0	-54.75	400.18	8.04	-46.71
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007953742	0	45	-1.0	-59.46	379.85	5.97	-53.49
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007953743	0	53	-1.0	-46.30	393.39	8.07	-38.23
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007953744	0	53	-1.0	-49.75	405.88	8.02	-41.73
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007953745	0	48	-1.0	-46.20	376.77	9.67	-36.53
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007953746	0	45	-1.0	-58.17	393.37	7.31	-50.86
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC(C(=O)[O-])=C(C)O1	REAL300007953747	0	48	-1.0	-56.21	407.31	7.95	-48.26
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)CCCC(=O)[O-]	REAL300007953748	0	47	-1.0	-54.64	387.11	7.68	-46.96
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007953749	0	50	-1.0	-44.80	388.95	7.28	-37.52
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007953750	0	53	-1.0	-49.75	405.88	8.02	-41.73
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007953751	0	45	-1.0	-58.17	393.37	7.31	-50.86
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)CCCC(=O)[O-]	REAL300007953752	0	47	-1.0	-54.64	387.11	7.68	-46.96
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007953753	0	45	-1.0	-55.48	401.20	7.94	-47.54
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007953754	0	45	-1.0	-55.19	394.09	8.31	-46.88
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007953755	0	45	-1.0	-54.37	390.07	7.46	-46.91
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=C(C)OC(C(=O)[O-])=C1	REAL300007953756	0	48	-1.0	-59.84	403.31	8.22	-51.62
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007953757	0	47	-1.0	-52.88	398.47	7.29	-45.59
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007953758	0	44	-1.0	-54.55	376.69	7.09	-47.46
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007953759	0	44	-1.0	-53.01	386.38	6.54	-46.47
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007953760	0	47	-1.0	-48.69	372.77	8.03	-40.66
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)CCCCCC(=O)[O-]	REAL300007953761	0	53	-1.0	-54.01	430.10	9.24	-44.77
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007953762	0	47	-1.0	-55.14	397.84	7.16	-47.98
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)N(C)CCC(=O)[O-]	REAL300007953763	0	49	-1.0	-53.44	378.12	6.33	-47.11
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007953764	0	51	-1.0	-56.01	410.11	8.94	-47.07
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007953765	0	48	-1.0	-54.07	387.45	7.17	-46.90
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC(C)=C(C(=O)[O-])O1	REAL300007953766	0	48	-1.0	-55.02	407.05	8.08	-46.94
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007953767	0	45	-1.0	-52.72	379.64	8.12	-44.60
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007953768	0	48	-1.0	-41.73	379.63	7.81	-33.92
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007953769	0	45	-1.0	-59.46	379.85	5.97	-53.49
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007953770	0	48	-1.0	-54.07	387.45	7.17	-46.90
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007953771	0	47	-1.0	-55.07	400.00	7.19	-47.88
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007953772	0	47	-1.0	-60.20	403.63	7.15	-53.05
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007953773	0	45	-1.0	-50.01	387.53	5.31	-44.70
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007953774	0	48	-1.0	-57.16	390.53	6.46	-50.70
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007953775	0	48	-1.0	-55.61	384.57	8.00	-47.61
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007953776	0	51	-1.0	-60.39	402.43	8.55	-51.84
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007953777	0	48	-1.0	-57.72	397.85	8.40	-49.32
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007953778	0	53	-1.0	-51.65	378.97	8.62	-43.03
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007953779	0	45	-1.0	-50.01	387.53	5.31	-44.70
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007953780	0	50	-1.0	-63.71	399.20	8.15	-55.56
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007953781	0	45	-1.0	-59.46	379.85	5.97	-53.49
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007953782	0	48	-1.0	-64.82	377.64	8.68	-56.14
CCC(CC1=CN(C)C2=CC=CC=C12)NS(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007953783	0	47	-1.0	-41.82	373.27	7.90	-33.92
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC(F)=C2)=C1	REAL300007953784	0	32	-1.0	-56.53	301.88	4.23	-52.30
CC(=O)C1=CC=CC(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007953785	0	37	-1.0	-63.34	336.74	4.57	-58.77
CCCCN(C)S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953786	0	39	-1.0	-56.96	337.22	3.83	-53.13
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CS2)=C1	REAL300007953787	0	29	-1.0	-56.29	287.38	3.18	-53.11
CCC(C)C1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1	REAL300007953788	0	44	-1.0	-55.68	374.14	6.76	-48.92
CC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)S1	REAL300007953789	0	32	-1.0	-56.18	309.25	3.97	-52.21
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(Cl)S2)=C1	REAL300007953790	0	29	-1.0	-54.50	304.43	3.78	-50.72
COC1=CC=C(C)C=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953791	0	39	-1.0	-58.13	337.40	4.66	-53.47
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC(Br)=CC=C2C)=C1	REAL300007953792	0	35	-1.0	-56.29	332.31	5.59	-50.70
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)=C1	REAL300007953793	0	36	-1.0	-56.72	332.48	4.49	-52.23
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)N2CCOCC2)=C1	REAL300007953794	0	35	-1.0	-56.38	303.72	0.88	-55.50
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)=C1	REAL300007953795	0	38	-1.0	-63.05	356.15	1.69	-61.36
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300007953796	0	36	-1.0	-55.51	341.45	3.97	-51.54
COC1=CC(C)=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1OC	REAL300007953797	0	43	-1.0	-58.19	369.72	4.15	-54.04
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(Cl)C=C2C)=C1	REAL300007953798	0	35	-1.0	-54.85	326.88	5.59	-49.26
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)N(C)C2CCCCC2)=C1	REAL300007953799	0	43	-1.0	-56.07	348.66	4.51	-51.56
CC1=NN(C)C(C)=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953800	0	38	-1.0	-57.47	332.15	3.20	-54.27
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C3CCCCC3)C=C2)=C1	REAL300007953801	0	48	-1.0	-55.54	397.30	7.98	-47.56
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C3OCCOC3=C2)=C1	REAL300007953802	0	38	-1.0	-57.98	339.95	3.33	-54.65
CCC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1	REAL300007953803	0	38	-1.0	-56.07	338.35	5.61	-50.46
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC=C2Br)=C1	REAL300007953804	0	32	-1.0	-56.83	311.94	4.91	-51.92
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC(Br)=C2)=C1	REAL300007953805	0	32	-1.0	-55.90	316.77	4.79	-51.11
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=C(C)C=CC=C2[N+](=O)[O-])=C1	REAL300007953806	0	37	-1.0	-61.97	327.89	6.53	-55.44
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCC2=CC=CC(Cl)=C2)=C1	REAL300007953807	0	38	-1.0	-60.76	357.44	6.19	-54.57
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCCS(=O)(=O)N(C)C)=C1	REAL300007953808	0	42	-1.0	-71.45	377.86	0.78	-70.67
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C(=O)C(C)C)C=C2)=C1	REAL300007953809	0	43	-1.0	-58.48	377.92	6.00	-52.48
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC(C)=CC(F)=C2)=C1	REAL300007953810	0	35	-1.0	-55.89	323.27	4.91	-50.98
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC3=CC=CC=C3OC2)=C1	REAL300007953811	0	38	-1.0	-57.85	341.20	4.68	-53.17
COCC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1	REAL300007953812	0	39	-1.0	-57.45	350.53	3.90	-53.55
CCOC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=N1	REAL300007953813	0	38	-1.0	-55.82	344.49	1.79	-54.03
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(CS(C)(=O)=O)C=C2)=C1	REAL300007953814	0	41	-1.0	-68.86	380.48	2.38	-66.48
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCCS(C)(=O)=O)=C1	REAL300007953815	0	37	-1.0	-75.39	344.43	0.21	-75.18
COC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C(C)=C1C	REAL300007953816	0	42	-1.0	-56.61	355.31	4.98	-51.63
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2=CC=C(Br)C=C2)=C1	REAL300007953817	0	35	-1.0	-61.72	340.52	5.50	-56.22
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC3=CC=CN=C3C=C2)=C1	REAL300007953818	0	37	-1.0	-58.26	336.43	4.55	-53.71
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2=NOC=C2)=C1	REAL300007953819	0	31	-1.0	-65.22	294.20	2.16	-63.06
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=C(C)N(C)N=C2)=C1	REAL300007953820	0	35	-1.0	-59.62	317.71	2.34	-57.28
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)=C1	REAL300007953821	0	42	-1.0	-63.85	366.17	-0.25	-64.10
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)N(C)C2CCOCC2)=C1	REAL300007953822	0	41	-1.0	-56.80	342.48	2.26	-54.54
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)N2CC3CCC2C3)=C1	REAL300007953823	0	38	-1.0	-56.73	322.91	3.74	-52.99
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=C(C)N(C3=CC=CC=N3)N=C2)=C1	REAL300007953824	0	41	-1.0	-59.66	368.85	5.43	-54.23
CCN1N=C(C)C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)=C1C	REAL300007953825	0	41	-1.0	-57.26	353.97	4.07	-53.19
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CN(C(C)C)N=C2)=C1	REAL300007953826	0	38	-1.0	-58.03	340.21	3.26	-54.77
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CN(CC(C)C)C=N2)=C1	REAL300007953827	0	41	-1.0	-61.41	360.00	5.42	-55.99
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CN(C(C)C)C=N2)=C1	REAL300007953828	0	38	-1.0	-60.89	340.89	4.55	-56.34
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CNC(C(C)C)=N2)=C1	REAL300007953829	0	38	-1.0	-61.14	339.25	2.61	-58.53
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC=C2C(C)(C)C)=C1	REAL300007953830	0	44	-1.0	-57.71	347.94	6.68	-51.03
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC(C3=NN=NN3C)=C2)=C1	REAL300007953831	0	40	-1.0	-67.32	361.56	3.59	-63.73
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2CCCOC2)=C1	REAL300007953832	0	39	-1.0	-62.77	329.24	2.91	-59.86
COC1=CC(Cl)=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1OC	REAL300007953833	0	40	-1.0	-56.10	355.80	3.43	-52.67
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C)C(Br)=C2)=C1	REAL300007953834	0	35	-1.0	-55.90	334.96	5.37	-50.53
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC(F)=C2C)=C1	REAL300007953835	0	35	-1.0	-55.63	315.34	5.10	-50.53
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)=C1	REAL300007953836	0	38	-1.0	-55.65	350.83	6.95	-48.70
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300007953837	0	36	-1.0	-57.54	340.92	3.82	-53.72
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)=C1	REAL300007953838	0	39	-1.0	-57.16	352.73	5.85	-51.31
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953839	0	47	-1.0	-56.84	393.79	5.62	-51.22
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C(F)F)C=C2)=C1	REAL300007953840	0	35	-1.0	-57.77	329.62	5.10	-52.67
COCC1=CC=C(OC)C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007953841	0	43	-1.0	-58.92	371.05	3.72	-55.20
COCCC(C)S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953842	0	38	-1.0	-60.91	329.42	2.56	-58.35
COC1=CC=C(F)C=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953843	0	36	-1.0	-57.80	322.37	4.06	-53.74
COCCOC1=CC=C(F)C=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953844	0	43	-1.0	-58.57	374.82	4.33	-54.24
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)N2CCC3(CCCCC3)CC2)=C1	REAL300007953845	0	50	-1.0	-56.22	382.60	5.85	-50.37
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=C3N=C(C)C=CC3=CC=C2)=C1	REAL300007953846	0	40	-1.0	-61.60	349.19	5.87	-55.73
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])=C1	REAL300007953847	0	40	-1.0	-66.34	360.23	6.06	-60.28
CCN(CC1CC1)S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953848	0	40	-1.0	-56.09	339.84	4.37	-51.72
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CN(C3CCOCC3)N=C2)=C1	REAL300007953849	0	43	-1.0	-58.12	372.61	2.71	-55.41
CCCN1C=NC(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007953850	0	38	-1.0	-61.36	342.78	4.92	-56.44
COCCOCCOCCS(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953851	0	46	-1.0	-62.67	403.93	1.48	-61.19
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCOCC2CC2)=C1	REAL300007953852	0	39	-1.0	-59.09	346.50	3.48	-55.61
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC(C)COC2CCCC2)=C1	REAL300007953853	0	48	-1.0	-61.77	396.02	5.56	-56.21
COCC(C)CS(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953854	0	38	-1.0	-61.85	329.47	2.50	-59.35
CCOCC(C)CS(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953855	0	41	-1.0	-61.89	351.33	3.47	-58.42
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007953856	0	39	-1.0	-55.73	363.67	4.47	-51.26
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CN(C3CCOC3)N=C2)=C1	REAL300007953857	0	40	-1.0	-57.80	353.49	1.92	-55.88
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC(F)=CC=C2OC(F)F)=C1	REAL300007953858	0	36	-1.0	-55.32	332.13	4.34	-50.98
COC1=CC(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)=CC=C1[N+](=O)[O-]	REAL300007953859	0	38	-1.0	-57.89	350.99	4.92	-52.97
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)=C1	REAL300007953860	0	38	-1.0	-55.11	348.94	6.07	-49.04
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)=C1	REAL300007953861	0	38	-1.0	-57.10	350.08	5.99	-51.11
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)=C1	REAL300007953862	0	38	-1.0	-54.90	349.89	5.69	-49.21
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC=C2C(C)C)=C1	REAL300007953863	0	41	-1.0	-56.98	349.38	6.27	-50.71
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCCN2CCOCC2)=C1	REAL300007953864	0	44	-1.0	-62.50	369.14	1.15	-61.35
CCOC1=CC=CC(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007953865	0	39	-1.0	-57.60	346.81	4.40	-53.20
COCCN1C=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=N1	REAL300007953866	0	39	-1.0	-58.45	355.21	1.79	-56.66
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCC(C)(C)C)=C1	REAL300007953867	0	40	-1.0	-60.03	336.03	4.35	-55.68
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)=C1	REAL300007953868	0	39	-1.0	-60.72	359.80	4.72	-56.00
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300007953869	0	40	-1.0	-65.39	368.93	6.35	-59.04
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC3=CC=CC=C3N=C2)=C1	REAL300007953870	0	37	-1.0	-58.17	336.65	4.54	-53.63
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2=CC=CC(Br)=C2)=C1	REAL300007953871	0	35	-1.0	-62.28	340.50	5.50	-56.78
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2=CC=CC=C2Br)=C1	REAL300007953872	0	35	-1.0	-60.57	335.82	5.45	-55.12
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)=C1	REAL300007953873	0	39	-1.0	-69.43	360.10	2.04	-67.39
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)N2CCC(C)C2)=C1	REAL300007953874	0	37	-1.0	-56.66	319.55	3.13	-53.53
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC(C)=CC(Br)=C2)=C1	REAL300007953875	0	35	-1.0	-55.34	338.16	5.45	-49.89
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC(Br)=C2C)=C1	REAL300007953876	0	35	-1.0	-55.24	328.08	5.58	-49.66
COCC1=CC=CC=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953877	0	39	-1.0	-55.75	341.98	4.30	-51.45
COC1=CC(OC)=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1Cl	REAL300007953878	0	40	-1.0	-57.89	361.45	3.87	-54.02
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CN(CC(F)(F)F)N=C2)=C1	REAL300007953879	0	35	-1.0	-61.97	339.41	3.24	-58.73
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CN(CC(F)F)N=C2)=C1	REAL300007953880	0	35	-1.0	-61.14	333.38	3.06	-58.08
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)=C1	REAL300007953881	0	43	-1.0	-56.48	372.91	5.41	-51.07
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300007953882	0	35	-1.0	-58.66	329.34	3.15	-55.51
CSC1=CC=CC=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953883	0	36	-1.0	-58.51	319.73	4.33	-54.18
CCC1=CC=CC(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007953884	0	38	-1.0	-56.37	338.36	5.60	-50.77
CCC1=CC=C(CS(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1	REAL300007953885	0	41	-1.0	-61.57	362.12	6.32	-55.25
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCC2=CC=CS2)=C1	REAL300007953886	0	35	-1.0	-59.93	330.94	4.77	-55.16
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007953887	0	41	-1.0	-62.78	377.62	2.59	-60.19
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2=CC=C(C)C(C)=C2)=C1	REAL300007953888	0	41	-1.0	-61.92	357.63	6.09	-55.83
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)N(C)CC(C)C)=C1	REAL300007953889	0	39	-1.0	-56.93	329.84	3.51	-53.42
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300007953890	0	36	-1.0	-54.97	342.46	4.79	-50.18
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)N(C)C2CCCC2)=C1	REAL300007953891	0	40	-1.0	-56.23	333.97	4.04	-52.19
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)N2CCOC(C)(C)C2)=C1	REAL300007953892	0	41	-1.0	-55.93	341.64	2.37	-53.56
CC1=NOC(CS(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007953893	0	34	-1.0	-65.19	316.14	3.04	-62.15
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C3C(=C2)C=NN3C(C)C)=C1	REAL300007953894	0	44	-1.0	-58.18	386.18	5.70	-52.48
CCS(=O)(=O)NCCS(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953895	0	39	-1.0	-68.33	359.30	-1.08	-69.41
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)=C1	REAL300007953896	0	38	-1.0	-55.84	348.17	5.46	-50.38
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)=C1	REAL300007953897	0	35	-1.0	-55.34	351.09	6.11	-49.23
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=C(C)SC3=CC=C(Cl)C=C32)=C1	REAL300007953898	0	38	-1.0	-55.57	357.17	6.87	-48.70
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)=C1	REAL300007953899	0	35	-1.0	-56.06	338.25	5.57	-50.49
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)=C1	REAL300007953900	0	38	-1.0	-59.38	353.15	7.04	-52.34
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCC2CCCO2)=C1	REAL300007953901	0	39	-1.0	-60.63	337.22	2.98	-57.65
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)=C1	REAL300007953902	0	38	-1.0	-58.54	356.47	5.97	-52.57
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCC2=CC=C3OCCC3=C2)=C1	REAL300007953903	0	43	-1.0	-62.57	376.60	5.53	-57.04
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=C(C)SC3=C(C)C=CC=C32)=C1	REAL300007953904	0	41	-1.0	-55.52	360.67	6.97	-48.55
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C)C(N(C)C)=C2)=C1	REAL300007953905	0	43	-1.0	-56.01	370.36	4.84	-51.17
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=C3OCCCN3N=C2)=C1	REAL300007953906	0	37	-1.0	-59.63	328.33	1.09	-58.54
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCOCC2CCCC2)=C1	REAL300007953907	0	45	-1.0	-58.85	380.20	4.63	-54.22
COC1=CC(C)=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1Cl	REAL300007953908	0	39	-1.0	-57.47	356.52	4.81	-52.66
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2=CC=CC(S(C)(=O)=O)=C2)=C1	REAL300007953909	0	41	-1.0	-73.45	379.91	2.40	-71.05
CSC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1Cl	REAL300007953910	0	36	-1.0	-56.38	350.67	5.65	-50.73
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953911	0	44	-1.0	-56.43	369.28	4.65	-51.78
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)=C1	REAL300007953912	0	40	-1.0	-58.86	366.61	2.73	-56.13
CCC1=NOC2=NC=C(S(=O)(=O)NCC3=CC(C)=C(C(=O)[O-])O3)C=C12	REAL300007953913	0	39	-1.0	-58.37	356.69	1.88	-56.49
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CN=C3C(=C2)C=NN3C)=C1	REAL300007953914	0	37	-1.0	-58.40	339.80	3.30	-55.10
CCC1=CC(CC)=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C(CC)=C1	REAL300007953915	0	50	-1.0	-54.08	395.67	8.79	-45.29
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CN3CCCCC3=N2)=C1	REAL300007953916	0	39	-1.0	-61.86	341.25	4.20	-57.66
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)=C1	REAL300007953917	0	38	-1.0	-56.33	364.06	2.25	-54.08
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)=C1	REAL300007953918	0	41	-1.0	-66.56	362.02	7.94	-58.62
COC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C(C)=C1F	REAL300007953919	0	39	-1.0	-56.63	344.62	4.41	-52.22
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2(C)CCCCC2)=C1	REAL300007953920	0	44	-1.0	-59.82	345.29	5.68	-54.14
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC3=CC=CC=C3OCC2)=C1	REAL300007953921	0	41	-1.0	-56.78	356.56	5.63	-51.15
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300007953923	0	40	-1.0	-56.87	364.90	5.44	-51.43
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CN=NN2C)=C1	REAL300007953924	0	31	-1.0	-57.44	291.29	0.52	-56.92
COCC1=CC(Cl)=CC(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007953925	0	39	-1.0	-56.52	367.26	4.40	-52.12
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2=CC=C(C)C=C2F)=C1	REAL300007953926	0	38	-1.0	-62.67	345.93	5.59	-57.08
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)S2)=C1	REAL300007953928	0	32	-1.0	-54.81	328.01	4.36	-50.45
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCC2CC3=CC=CC=C3C2)=C1	REAL300007953929	0	45	-1.0	-62.48	384.20	7.47	-55.01
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2=NOC(C(C)(C)C)=C2)=C1	REAL300007953930	0	43	-1.0	-63.42	377.33	4.90	-58.52
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCC2CCC2)=C1	REAL300007953931	0	38	-1.0	-60.27	329.04	4.72	-55.55
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCCC(C)(C)C)=C1	REAL300007953932	0	43	-1.0	-60.38	357.53	5.12	-55.26
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2CCCS(=O)(=O)C2)=C1	REAL300007953933	0	41	-1.0	-70.25	356.59	1.34	-68.91
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC3=CC(F)=CC=C3O2)=C1	REAL300007953934	0	35	-1.0	-56.13	331.63	4.63	-51.50
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCC2=C(C)N=CS2)=C1	REAL300007953935	0	37	-1.0	-61.17	344.70	3.41	-57.76
COCC1(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)CC1	REAL300007953936	0	36	-1.0	-59.36	307.94	3.27	-56.09
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC23CCC(CC2)C3)=C1	REAL300007953937	0	42	-1.0	-60.59	343.81	5.57	-55.02
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2CC(F)(F)C2)=C1	REAL300007953938	0	35	-1.0	-63.51	320.80	4.11	-59.40
COC1=CC=C2C=C(S(=O)(=O)NCC3=CC(C)=C(C(=O)[O-])O3)CCC2=C1	REAL300007953939	0	44	-1.0	-57.61	379.38	5.87	-51.74
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC23CCC(CC2)CC3)=C1	REAL300007953940	0	45	-1.0	-60.21	352.88	6.19	-54.02
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCC2CCOC2)=C1	REAL300007953941	0	39	-1.0	-62.63	334.75	2.67	-59.96
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)=C1	REAL300007953942	0	43	-1.0	-68.30	368.70	1.29	-67.01
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2CCCCC2(F)F)=C1	REAL300007953943	0	41	-1.0	-58.18	348.51	5.32	-52.86
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=C1	REAL300007953944	0	39	-1.0	-59.71	346.14	6.30	-53.41
CCC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1[N+](=O)[O-]	REAL300007953945	0	40	-1.0	-59.73	357.85	6.00	-53.73
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(Cl)C=C2)=C1	REAL300007953946	0	32	-1.0	-55.01	312.18	4.69	-50.32
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(Br)C=C2)=C1	REAL300007953947	0	32	-1.0	-54.92	316.74	4.80	-50.12
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)=C1	REAL300007953948	0	34	-1.0	-56.67	323.68	4.84	-51.83
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1	REAL300007953949	0	38	-1.0	-57.11	341.41	6.45	-50.66
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)=C1	REAL300007953950	0	34	-1.0	-59.55	323.68	4.84	-54.71
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2C)=C1	REAL300007953951	0	37	-1.0	-60.49	339.24	5.64	-54.85
COC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1	REAL300007953952	0	36	-1.0	-56.63	324.94	3.47	-53.16
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])=C1	REAL300007953953	0	34	-1.0	-62.30	312.99	5.65	-56.65
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C)C=C2)=C1	REAL300007953954	0	35	-1.0	-56.37	316.87	4.85	-51.52
CCOC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1	REAL300007953955	0	39	-1.0	-56.36	346.81	4.40	-51.96
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=C(C)C(C)=CC(C)=C2C)=C1	REAL300007953956	0	44	-1.0	-54.61	356.03	6.74	-47.87
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=C(C)C=C(C)C=C2C)=C1	REAL300007953957	0	41	-1.0	-54.51	339.55	6.19	-48.32
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC(C(C)(C)C)=CC=C2C)=C1	REAL300007953958	0	47	-1.0	-56.24	387.23	7.28	-48.96
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300007953959	0	35	-1.0	-56.63	334.18	5.17	-51.46
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC(C)=CC=C2)=C1	REAL300007953960	0	35	-1.0	-56.49	316.86	4.84	-51.65
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C=CC2=CC=CC=C2)=C1	REAL300007953961	0	36	-1.0	-57.70	327.36	5.35	-52.35
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)=C1	REAL300007953962	0	35	-1.0	-58.18	320.40	5.74	-52.44
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC(Cl)=C2)=C1	REAL300007953963	0	32	-1.0	-55.97	312.20	4.68	-51.29
CC(=O)C1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1	REAL300007953964	0	37	-1.0	-59.21	335.92	4.56	-54.65
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC(C)=CC=C2C)=C1	REAL300007953965	0	38	-1.0	-56.49	332.43	5.62	-50.87
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C)C(C)=C2)=C1	REAL300007953966	0	38	-1.0	-56.42	333.88	5.38	-51.04
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C)C=C2C)=C1	REAL300007953967	0	38	-1.0	-56.54	331.60	5.75	-50.79
COC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1[N+](=O)[O-]	REAL300007953968	0	38	-1.0	-61.89	350.96	4.92	-56.97
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300007953969	0	44	-1.0	-55.67	371.68	6.49	-49.18
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C(C)C)C=C2)=C1	REAL300007953970	0	41	-1.0	-55.87	355.69	6.10	-49.77
CCCC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1	REAL300007953971	0	41	-1.0	-56.01	359.84	6.39	-49.62
COC1=CC=CC=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953972	0	36	-1.0	-58.40	315.99	4.00	-54.40
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)CC2=CC=CC=C2)=C1	REAL300007953973	0	35	-1.0	-61.70	319.20	4.89	-56.81
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(Br)C(C)=C2)=C1	REAL300007953974	0	35	-1.0	-54.74	334.95	5.36	-49.38
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)=C1	REAL300007953975	0	36	-1.0	-55.08	341.43	3.96	-51.12
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=C(C)C(C)=C(C)C(C)=C2C)=C1	REAL300007953976	0	47	-1.0	-55.06	369.32	7.18	-47.88
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C3OCCCOC3=C2)=C1	REAL300007953977	0	41	-1.0	-57.50	358.30	4.11	-53.39
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953978	0	48	-1.0	-57.81	392.16	6.32	-51.49
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C)C([N+](=O)[O-])=C2)=C1	REAL300007953979	0	37	-1.0	-59.30	339.68	5.37	-53.93
CC1=NNC(C)=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953980	0	35	-1.0	-56.17	309.48	1.92	-54.25
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=C(C)C=C(C(C)(C)C)C=C2C)=C1	REAL300007953981	0	50	-1.0	-53.84	394.36	7.84	-46.00
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300007953982	0	35	-1.0	-55.30	334.21	5.17	-50.13
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C3CCCCC3=C2)=C1	REAL300007953983	0	42	-1.0	-56.17	358.19	6.65	-49.52
COC1=CC=C(OC)C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300007953984	0	40	-1.0	-59.44	345.45	3.28	-56.16
COC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1OC	REAL300007953985	0	40	-1.0	-57.92	354.19	3.38	-54.54
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C3CCCC3=C2)=C1	REAL300007953986	0	39	-1.0	-56.39	340.98	6.08	-50.31
CC1=NOC(C)=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953987	1	34	-1.0	-54.53	308.53	3.13	-51.40
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC3=CC=CC=C3CC2)=C1	REAL300007953988	0	40	-1.0	-56.65	349.91	6.57	-50.08
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C3OCCC3=C2)=C1	REAL300007953989	0	37	-1.0	-56.88	331.39	4.02	-52.86
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(CCC(C)C)C=C2)=C1	REAL300007953990	0	47	-1.0	-55.92	398.90	7.68	-48.24
CCOC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C=C1OCC	REAL300007953991	0	46	-1.0	-57.33	397.90	5.22	-52.11
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=C(S(N)(=O)=O)C=C2)=C1	REAL300007953992	0	37	-1.0	-61.57	349.63	-0.87	-62.44
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC(C)=C(C)C([N+](=O)[O-])=C2)=C1	REAL300007953993	0	40	-1.0	-58.23	359.87	6.02	-52.21
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CC(C)=C2C)=C1	REAL300007953994	0	40	-1.0	-59.68	355.40	6.28	-53.40
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)N2CCCCCC2)=C1	REAL300007953995	0	40	-1.0	-57.19	328.12	4.25	-52.94
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=C3N=CC(C)=CC3=CC=C2)=C1	REAL300007953996	0	40	-1.0	-60.97	349.02	5.93	-55.04
COC1=CC=C(S(=O)(=O)NCC2=CC(C)=C(C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300007953997	0	38	-1.0	-60.23	342.32	4.95	-55.28
COC1=CC(Cl)=CC=C1S(=O)(=O)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300007953998	0	36	-1.0	-55.80	332.66	4.51	-51.29
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)C2=CC=CC(S(N)(=O)=O)=C2)=C1	REAL300007953999	0	37	-1.0	-62.69	349.64	-0.87	-63.56
CC1=C(C(=O)[O-])OC(CNS(=O)(=O)N(C)CC2=C(F)C=CC=C2Cl)=C1	REAL300007954000	0	40	-1.0	-55.89	366.33	5.84	-50.05
COC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959885	0	38	-1.0	-40.63	303.89	4.30	-36.33
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959886	0	45	-1.0	-46.04	363.19	4.76	-41.28
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C	REAL300007959887	0	45	-1.0	-44.64	378.66	1.24	-43.40
CC(C)(C)[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007959888	0	52	-1.0	-41.16	372.86	5.87	-35.29
CC1=NC2=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=CC=C2C=C1	REAL300007959889	0	42	-1.0	-50.19	330.15	5.62	-44.57
CC(C)(C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007959890	0	42	-1.0	-53.37	350.70	6.00	-47.37
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007959891	0	45	-1.0	-46.94	364.47	2.69	-44.25
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959892	0	48	-1.0	-41.61	386.93	5.34	-36.27
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959893	0	48	-1.0	-43.69	389.45	5.39	-38.30
CCCN1C=NC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959894	0	40	-1.0	-53.34	329.12	5.42	-47.92
COCCOCCOCCS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959895	0	48	-1.0	-46.67	390.25	1.36	-45.31
CC(COC1CCCC1)CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959896	0	50	-1.0	-39.05	382.59	5.40	-33.65
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959897	0	41	-1.0	-43.68	355.87	4.45	-39.23
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007959898	0	42	-1.0	-46.06	345.35	1.90	-44.16
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959899	0	38	-1.0	-44.28	338.11	4.06	-40.22
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007959900	0	38	-1.0	-39.18	311.83	4.19	-34.99
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1[N+](=O)[O-]	REAL300007959901	0	40	-1.0	-41.39	339.87	4.87	-36.52
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959902	0	40	-1.0	-38.12	335.13	5.93	-32.19
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959903	0	40	-1.0	-39.12	334.20	5.89	-33.23
CC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1C(F)(F)F	REAL300007959904	0	40	-1.0	-39.63	338.79	5.63	-34.00
CC(C)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959905	0	43	-1.0	-42.44	334.31	6.07	-36.37
CC(C)(C)[C@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007959906	0	46	-1.0	-41.99	359.57	1.08	-40.91
CCOC1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959907	0	41	-1.0	-44.24	335.63	4.32	-39.92
COCCN1C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=N1	REAL300007959908	0	41	-1.0	-42.98	344.04	1.71	-41.27
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007959909	0	41	-1.0	-47.01	348.64	4.64	-42.37
CC(C)(C)[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007959910	0	42	-1.0	-43.43	359.36	6.27	-37.16
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007959911	0	39	-1.0	-48.20	328.51	4.51	-43.69
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007959912	0	37	-1.0	-42.03	329.37	5.44	-36.59
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007959913	0	37	-1.0	-45.28	326.45	5.37	-39.91
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007959914	0	41	-1.0	-56.15	351.15	2.05	-54.10
CC1=CC(Br)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959915	0	37	-1.0	-42.45	330.02	5.42	-37.03
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959916	0	37	-1.0	-40.01	313.65	5.38	-34.63
COCC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959917	0	41	-1.0	-44.21	330.80	4.21	-40.00
COC1=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C1Br	REAL300007959918	0	38	-1.0	-41.24	334.26	4.10	-37.14
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Cl	REAL300007959919	0	42	-1.0	-41.55	342.77	4.09	-37.46
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007959920	0	37	-1.0	-46.35	328.23	3.16	-43.19
CC(C)(C)[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007959921	0	37	-1.0	-43.06	323.34	2.96	-40.10
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007959922	0	45	-1.0	-45.06	361.71	5.35	-39.71
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007959923	0	37	-1.0	-46.46	326.69	3.24	-43.22
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959924	0	45	-1.0	-45.03	350.58	1.95	-43.08
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007959925	0	46	-1.0	-50.99	387.94	3.31	-47.68
CSC1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959926	0	38	-1.0	-45.94	322.48	5.23	-40.71
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007959927	0	42	-1.0	-46.49	363.30	0.90	-45.59
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007959928	0	48	-1.0	-44.60	406.47	1.93	-42.67
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959929	0	45	-1.0	-50.97	362.50	4.53	-46.44
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1F	REAL300007959930	0	45	-1.0	-45.58	384.76	1.79	-43.79
CCC1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007959931	0	43	-1.0	-43.21	350.97	6.27	-36.94
CC(C)(C)[C@H](NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007959932	0	37	-1.0	-43.14	321.37	4.69	-38.45
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007959933	0	49	-1.0	-44.85	401.05	4.60	-40.25
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007959934	0	46	-1.0	-49.32	374.30	4.51	-44.81
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959935	0	43	-1.0	-53.72	369.47	2.56	-51.16
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959936	0	44	-1.0	-46.72	359.20	1.45	-45.27
CC1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C	REAL300007959937	0	43	-1.0	-45.14	348.05	6.03	-39.11
CCOC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Br	REAL300007959938	0	41	-1.0	-43.06	356.11	5.02	-38.04
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1C1=CC=CC=C1	REAL300007959939	0	48	-1.0	-47.13	392.45	7.16	-39.97
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007959940	0	38	-1.0	-39.61	321.29	4.91	-34.70
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959941	0	41	-1.0	-44.66	351.72	4.63	-40.03
CC(C)(C)[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300007959942	0	43	-1.0	-41.84	331.99	2.40	-39.44
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C2S1	REAL300007959943	0	48	-1.0	-47.39	400.31	6.09	-41.30
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959944	0	41	-1.0	-41.39	336.86	5.42	-35.97
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CC=C21	REAL300007959945	0	46	-1.0	-46.29	377.26	5.72	-40.57
CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959946	0	41	-1.0	-47.68	349.74	-1.15	-48.83
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)OC2=CC=C(F)C=C12	REAL300007959947	0	40	-1.0	-45.41	333.26	5.79	-39.62
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007959948	0	37	-1.0	-42.16	339.91	6.07	-36.09
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC(Cl)=CC=C2S1	REAL300007959949	0	40	-1.0	-43.44	348.25	6.91	-36.53
CC(C)(C)[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007959950	0	37	-1.0	-43.82	340.65	6.03	-37.79
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007959951	0	40	-1.0	-47.28	344.60	7.00	-40.28
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007959952	0	40	-1.0	-45.27	345.26	5.88	-39.39
CC(C)(C)[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007959953	0	45	-1.0	-45.00	367.03	5.45	-39.55
CC(C)(C)[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007959954	0	48	-1.0	-40.92	379.05	7.54	-33.38
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1	REAL300007959955	0	47	-1.0	-49.13	393.86	5.67	-43.46
CC(C)(C)[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007959956	0	45	-1.0	-44.77	381.78	1.10	-43.67
CC1=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C2=CC=CC(C)=C2S1	REAL300007959957	0	43	-1.0	-46.57	351.71	7.02	-39.55
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1N(C)C	REAL300007959958	0	45	-1.0	-43.02	358.96	4.78	-38.24
CC(C)(C)[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007959959	0	40	-1.0	-43.02	343.23	5.99	-37.03
CC(C)(C)[C@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007959960	0	39	-1.0	-45.13	308.95	0.91	-44.22
CC(C)(C)[C@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007959961	0	47	-1.0	-42.45	366.52	4.51	-37.94
COC1=CC(C)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Cl	REAL300007959962	0	41	-1.0	-42.72	344.73	4.70	-38.02
CC(C)(C)[C@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007959963	0	43	-1.0	-51.17	368.77	2.35	-48.82
CSC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1Cl	REAL300007959964	0	38	-1.0	-43.02	339.56	5.60	-37.42
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007959965	0	46	-1.0	-47.33	363.49	4.65	-42.68
CC(C)(C)[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007959966	0	42	-1.0	-45.25	358.46	2.72	-42.53
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C12	REAL300007959967	0	41	-1.0	-44.36	348.55	1.85	-42.51
CC(C)(C)[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007959968	0	45	-1.0	-47.90	383.89	3.97	-43.93
CN1N=CC2=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=CN=C21	REAL300007959969	0	39	-1.0	-44.36	328.64	3.23	-41.13
CCC1=CC(CC)=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(CC)=C1	REAL300007959970	0	52	-1.0	-41.97	381.73	8.57	-33.40
CC(C)(C)[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007959971	0	41	-1.0	-55.37	333.09	4.18	-51.19
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007959972	0	40	-1.0	-40.20	352.90	2.19	-38.01
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007959973	0	43	-1.0	-45.22	351.27	7.91	-37.31
COC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(C)=C1F	REAL300007959974	0	41	-1.0	-43.31	329.49	4.22	-39.09
CC(C)(C)[C@H](NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007959975	0	46	-1.0	-42.15	335.72	5.61	-36.54
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007959976	0	43	-1.0	-46.12	341.30	5.46	-40.66
CC(C)(C)[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007959978	0	42	-1.0	-48.05	356.76	5.43	-42.62
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=C1	REAL300007959979	0	41	-1.0	-40.65	356.07	4.33	-36.32
CC1=CC=C(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C(F)=C1	REAL300007959980	0	40	-1.0	-45.87	332.26	5.47	-40.40
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007959982	0	34	-1.0	-38.83	316.85	4.30	-34.53
CC(C)(C)[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007959983	0	47	-1.0	-42.03	370.52	7.34	-34.69
CC(C)(C)C1=CC(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)=NO1	REAL300007959984	0	45	-1.0	-43.66	363.66	4.77	-38.89
CC(C)(C)[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007959985	0	43	-1.0	-48.98	347.02	1.28	-47.70
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007959986	0	37	-1.0	-44.81	320.46	4.57	-40.24
CC1=C(CCS(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)SC=N1	REAL300007959987	0	39	-1.0	-42.00	330.56	3.26	-38.74
CC(C)(C)[C@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007959988	0	44	-1.0	-41.08	330.32	5.44	-35.64
COC1=CC=C2C=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)CCC2=C1	REAL300007959989	0	46	-1.0	-44.08	364.43	5.71	-38.37
CC(C)(C)[C@H](NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007959990	0	47	-1.0	-41.10	339.20	6.06	-35.04
CC(C)(C)[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007959991	0	45	-1.0	-59.22	359.13	1.21	-58.01
CC(C)(C)[C@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007959992	0	43	-1.0	-46.70	339.67	5.27	-41.43
CC(C)(C)[C@H](NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300007959993	0	41	-1.0	-44.31	337.30	6.25	-38.06
CCC1=CC=C(S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C)C=C1[N+](=O)[O-]	REAL300007959994	0	42	-1.0	-42.21	346.75	5.96	-36.25
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007959995	0	34	-1.0	-39.41	301.01	4.61	-34.80
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007959996	0	34	-1.0	-39.38	305.58	4.72	-34.66
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007959997	0	36	-1.0	-40.40	315.54	4.81	-35.59
CC(C)(C)[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007959998	0	40	-1.0	-48.00	333.26	6.42	-41.58
CC(C)(C)[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007959999	0	36	-1.0	-46.60	315.54	4.81	-41.79
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C(=O)[O-])C(C)(C)C	REAL300007960000	0	39	-1.0	-40.17	323.71	5.56	-34.61
C=C(C)CC(NS(=O)(=O)C1=CC(F)=CC=C1OC)C(=O)[O-]	REAL300007961786	0	36	-1.0	-44.56	324.92	4.22	-40.34
C=C(C)CC(NS(=O)(=O)C1=CC(F)=CC=C1OCCOC)C(=O)[O-]	REAL300007961787	0	43	-1.0	-60.85	371.00	4.55	-56.30
C=C(C)CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC)C(C)=C1)C(=O)[O-]	REAL300007961788	0	43	-1.0	-56.28	379.58	1.19	-55.09
C=C(C)CC(NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007961789	0	50	-1.0	-52.66	374.07	5.80	-46.86
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007961790	0	40	-1.0	-51.89	348.58	5.55	-46.34
C=C(C)CC(NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007961791	0	40	-1.0	-67.08	352.58	6.08	-61.00
C=C(C)CC(NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007961792	0	43	-1.0	-46.19	368.05	2.82	-43.37
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCCCOC)C(=O)[O-]	REAL300007961793	0	46	-1.0	-44.75	406.98	5.56	-39.19
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(C)COC)C(=O)[O-]	REAL300007961794	0	46	-1.0	-59.53	400.15	5.80	-53.73
C=C(C)CC(NS(=O)(=O)C1=CN(CCC)C=N1)C(=O)[O-]	REAL300007961795	0	38	-1.0	-52.81	332.43	5.54	-47.27
C=C(C)CC(NS(=O)(=O)CCOCCOCCOC)C(=O)[O-]	REAL300007961796	0	46	-1.0	-47.67	398.07	1.57	-46.10
C=C(C)CC(NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007961797	0	48	-1.0	-39.16	386.68	5.54	-33.62
C=C(C)CC(NS(=O)(=O)C1=CC(OC)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007961798	0	39	-1.0	-41.56	356.59	4.52	-37.04
C=C(C)CC(NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007961799	0	40	-1.0	-43.55	348.93	2.02	-41.53
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=CC(OC)=C1)C(=O)[O-]	REAL300007961800	0	36	-1.0	-42.04	339.45	4.15	-37.89
C=C(C)CC(NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007961801	0	36	-1.0	-54.77	323.78	4.60	-50.17
C=C(C)CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C(OC)=C1)C(=O)[O-]	REAL300007961802	0	38	-1.0	-49.39	343.47	4.93	-44.46
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300007961803	0	38	-1.0	-48.54	336.92	5.83	-42.71
C=C(C)CC(NS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300007961804	0	38	-1.0	-56.02	332.73	5.80	-50.22
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007961805	0	38	-1.0	-49.54	342.14	5.73	-43.81
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300007961806	0	41	-1.0	-58.29	332.33	5.67	-52.62
C=C(C)CC(NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007961807	0	44	-1.0	-56.35	360.52	1.30	-55.05
C=C(C)CC(NS(=O)(=O)C1=CC=CC(OCC)=C1)C(=O)[O-]	REAL300007961808	0	39	-1.0	-45.39	342.24	4.49	-40.90
C=C(C)CC(NS(=O)(=O)C1=CN(CCOC)N=C1)C(=O)[O-]	REAL300007961809	0	39	-1.0	-44.68	348.41	1.85	-42.83
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007961810	0	39	-1.0	-58.26	351.07	4.90	-53.36
C=C(C)CC(NS(=O)(=O)C1=C(C)N(CCCCCCCC)N=C1C)C(=O)[O-]	REAL300007961811	0	59	-1.0	-54.50	471.63	8.73	-45.77
C=C(C)CC(NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007961812	0	40	-1.0	-57.02	360.05	6.44	-50.58
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007961813	0	37	-1.0	-49.72	332.10	4.64	-45.08
C=C(C)CC(NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007961814	0	35	-1.0	-41.30	330.92	5.51	-35.79
C=C(C)CC(NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007961815	0	35	-1.0	-54.79	327.10	5.55	-49.24
C=C(C)CC(NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007961816	0	39	-1.0	-64.45	351.71	2.12	-62.33
C=C(C)CC(NS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300007961817	0	35	-1.0	-41.68	331.35	5.51	-36.17
C=C(C)CC(NS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007961818	0	35	-1.0	-50.92	314.05	5.32	-45.60
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1COC)C(=O)[O-]	REAL300007961819	0	39	-1.0	-52.63	331.69	4.19	-48.44
C=C(C)CC(NS(=O)(=O)C1=CC=C(Br)C(OC)=C1)C(=O)[O-]	REAL300007961820	0	36	-1.0	-49.54	336.63	4.33	-45.21
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1OC)C(=O)[O-]	REAL300007961821	0	40	-1.0	-44.70	358.90	4.09	-40.61
C=C(C)CC(NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007961822	0	35	-1.0	-46.47	332.62	3.30	-43.17
C=C(C)CC(NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007961823	0	35	-1.0	-47.62	328.82	3.17	-44.45
C=C(C)CC(NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007961824	0	43	-1.0	-45.41	368.34	5.52	-39.89
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007961825	0	35	-1.0	-46.71	330.45	3.40	-43.31
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NCC)C(=O)[O-]	REAL300007961826	0	43	-1.0	-67.48	358.23	2.50	-64.98
C=C(C)CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)CCC)C=C1)C(=O)[O-]	REAL300007961827	0	44	-1.0	-57.15	391.76	3.42	-53.73
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007961828	0	36	-1.0	-44.92	320.44	5.44	-39.48
C=C(C)CC(NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007961829	0	40	-1.0	-55.63	366.87	0.97	-54.66
C=C(C)CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC)C=C1)C(=O)[O-]	REAL300007961830	0	46	-1.0	-54.57	405.91	2.07	-52.50
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007961831	0	43	-1.0	-73.69	364.07	3.49	-70.20
C=C(C)CC(NS(=O)(=O)C1=CC=C(NS(=O)(=O)CC)C(F)=C1)C(=O)[O-]	REAL300007961832	0	43	-1.0	-54.37	388.09	1.88	-52.49
C=C(C)CC(NS(=O)(=O)CC1=CC=C(CC)C=C1)C(=O)[O-]	REAL300007961833	0	41	-1.0	-43.57	355.84	6.38	-37.19
C=C(C)CC(NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007961834	0	35	-1.0	-54.84	323.14	4.77	-50.07
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007961835	0	47	-1.0	-57.11	401.46	4.66	-52.45
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007961836	0	44	-1.0	-59.74	371.32	3.60	-56.14
C=C(C)CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)CC)=C1)C(=O)[O-]	REAL300007961837	0	41	-1.0	-52.58	372.70	2.72	-49.86
C=C(C)CC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC)C(=O)[O-]	REAL300007961838	0	42	-1.0	-48.05	373.92	1.76	-46.29
C=C(C)CC(NS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007961839	0	41	-1.0	-44.53	351.64	6.16	-38.37
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC)C(Br)=C1)C(=O)[O-]	REAL300007961840	0	39	-1.0	-50.13	358.71	5.23	-44.90
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007961841	0	46	-1.0	-56.79	395.86	7.28	-49.51
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007961842	0	36	-1.0	-53.89	336.33	5.20	-48.69
C=C(C)CC(NS(=O)(=O)CC1=CC(OC)=CC=C1Br)C(=O)[O-]	REAL300007961843	0	39	-1.0	-44.67	356.08	4.78	-39.89
C=C(C)CC(NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300007961844	0	41	-1.0	-42.85	337.08	2.49	-40.36
C=C(C)CC(NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007961845	0	46	-1.0	-45.45	401.37	6.17	-39.28
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300007961846	0	39	-1.0	-45.25	355.60	5.43	-39.82
C=C(C)CC(NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007961847	0	44	-1.0	-45.06	379.38	5.77	-39.29
C=C(C)CC(NS(=O)(=O)CCNS(=O)(=O)CC)C(=O)[O-]	REAL300007961848	0	39	-1.0	-46.13	349.99	-1.07	-47.20
C=C(C)CC(NS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007961849	0	38	-1.0	-53.65	340.38	5.48	-48.17
C=C(C)CC(NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007961850	0	35	-1.0	-43.32	346.53	6.22	-37.10
C=C(C)CC(NS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007961851	0	38	-1.0	-42.29	350.85	6.96	-35.33
C=C(C)CC(NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12)C(=O)[O-]	REAL300007961852	0	35	-1.0	-51.56	332.91	5.91	-45.65
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007961853	0	38	-1.0	-45.42	343.10	6.95	-38.47
C=C(C)CC(NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007961854	0	38	-1.0	-55.36	348.81	6.01	-49.35
C=C(C)CC(NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007961855	0	43	-1.0	-43.60	367.28	5.52	-38.08
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007961856	0	46	-1.0	-57.25	391.08	7.73	-49.52
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007961857	0	45	-1.0	-57.05	395.22	5.79	-51.26
C=C(C)CC(NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007961858	0	43	-1.0	-45.87	389.21	1.28	-44.59
C=C(C)CC(NS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300007961859	0	41	-1.0	-47.08	361.96	7.27	-39.81
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300007961860	0	43	-1.0	-52.59	362.41	4.87	-47.72
C=C(C)CC(NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007961861	0	38	-1.0	-56.96	348.29	6.26	-50.70
C=C(C)CC(NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007961862	0	37	-1.0	-45.50	313.24	1.05	-44.45
C=C(C)CC(NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007961863	0	45	-1.0	-42.41	370.87	4.65	-37.76
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=C(OC)C=C1C)C(=O)[O-]	REAL300007961864	0	39	-1.0	-49.29	343.39	4.67	-44.62
C=C(C)CC(NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007961865	0	41	-1.0	-50.40	370.58	2.42	-47.98
C=C(C)CC(NS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300007961866	0	36	-1.0	-49.82	341.91	5.83	-43.99
C=C(C)CC(NS(=O)(=O)C1=C(CC)N(C)N=C1CC)C(=O)[O-]	REAL300007961867	0	44	-1.0	-51.19	358.85	4.56	-46.63
C=C(C)CC(NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007961868	0	40	-1.0	-46.72	362.05	2.83	-43.89
C=C(C)CC(NS(=O)(=O)C1=CN=C2ON=C(CC)C2=C1)C(=O)[O-]	REAL300007961869	0	39	-1.0	-46.19	352.12	1.98	-44.21
C=C(C)CC(NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007961870	0	43	-1.0	-48.37	384.62	4.01	-44.36
C=C(C)CC(NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007961871	0	37	-1.0	-50.36	332.18	3.31	-47.05
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007961872	0	38	-1.0	-43.65	358.12	7.16	-36.49
C=C(C)CC(NS(=O)(=O)C1=C(CC)C=C(CC)C=C1CC)C(=O)[O-]	REAL300007961873	0	50	-1.0	-42.41	388.51	8.54	-33.87
C=C(C)CC(NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007961874	0	39	-1.0	-52.89	334.15	4.24	-48.65
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007961875	0	38	-1.0	-49.38	355.64	2.43	-46.95
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007961876	0	41	-1.0	-66.12	349.30	7.50	-58.62
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1C)C(=O)[O-]	REAL300007961877	0	39	-1.0	-50.65	329.51	4.19	-46.46
C=C(C)CC(NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007961878	0	44	-1.0	-55.56	337.23	5.71	-49.85
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007961879	0	41	-1.0	-43.12	344.63	5.51	-37.61
C=C(C)CC(NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007961881	0	40	-1.0	-47.29	360.33	5.56	-41.73
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC(COC)=C1)C(=O)[O-]	REAL300007961882	0	39	-1.0	-42.92	362.43	4.49	-38.43
C=C(C)CC(NS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300007961883	0	38	-1.0	-56.14	337.29	5.67	-50.47
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007961885	0	32	-1.0	-38.91	321.23	4.44	-34.47
C=C(C)CC(NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007961886	0	45	-1.0	-41.76	374.62	7.48	-34.28
C=C(C)CC(NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007961887	0	43	-1.0	-55.24	368.44	4.99	-50.25
C=C(C)CC(NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007961888	0	41	-1.0	-48.32	350.60	1.40	-46.92
C=C(C)CC(NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007961889	0	35	-1.0	-52.58	325.62	4.73	-47.85
C=C(C)CC(NS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007961890	0	37	-1.0	-43.16	338.24	3.45	-39.71
C=C(C)CC(NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007961891	0	42	-1.0	-41.08	330.80	5.66	-35.42
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=C(OC)C=C2CC1)C(=O)[O-]	REAL300007961892	0	44	-1.0	-44.21	368.80	5.84	-38.37
C=C(C)CC(NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007961893	0	45	-1.0	-56.29	343.98	6.27	-50.02
C=C(C)CC(NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007961894	0	43	-1.0	-58.48	362.70	1.34	-57.14
C=C(C)CC(NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007961895	0	41	-1.0	-53.31	340.56	5.33	-47.98
C=C(C)CC(NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300007961896	0	39	-1.0	-54.62	339.16	6.33	-48.29
C=C(C)CC(NS(=O)(=O)C1=CC=C(CC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007961897	0	40	-1.0	-59.98	349.37	6.17	-53.81
C=C(C)CC(NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007961898	0	32	-1.0	-50.25	303.48	4.88	-45.37
C=C(C)CC(NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007961899	0	32	-1.0	-50.09	308.05	4.99	-45.10
C=C(C)CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007961900	0	34	-1.0	-49.02	316.26	4.87	-44.15
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007961901	0	38	-1.0	-54.61	333.65	6.48	-48.13
C=C(C)CC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007961902	0	34	-1.0	-50.22	316.30	4.88	-45.34
C=C(C)CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300007961903	0	37	-1.0	-59.85	323.87	5.47	-54.38
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007961904	0	34	-1.0	-69.17	297.31	5.31	-63.86
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=CC=C1OCC)C(=O)[O-]	REAL300007961905	0	39	-1.0	-44.44	359.28	5.78	-38.66
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC)C=C1)C(=O)[O-]	REAL300007961906	0	39	-1.0	-52.54	339.38	4.42	-48.12
C=C(C)CC(NS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300007961907	0	44	-1.0	-44.94	351.38	6.92	-38.02
C=C(C)CC(NS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300007961908	0	41	-1.0	-42.61	336.24	6.47	-36.14
C=C(C)CC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300007961909	0	47	-1.0	-56.71	372.14	7.13	-49.58
C=C(C)CC(NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007961910	0	35	-1.0	-40.43	329.31	5.31	-35.12
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007961911	0	35	-1.0	-59.14	304.29	5.07	-54.07
C=C(C)CC(NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007961912	0	32	-1.0	-50.53	304.57	4.73	-45.80
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300007961913	0	37	-1.0	-57.74	330.75	4.68	-53.06
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007961914	0	38	-1.0	-60.55	343.21	4.96	-55.59
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007961915	0	44	-1.0	-53.50	364.30	6.53	-46.97
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300007961916	0	41	-1.0	-53.70	347.25	6.19	-47.51
C=C(C)CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007961917	0	43	-1.0	-54.96	382.38	2.26	-52.70
C=C(C)CC(NS(=O)(=O)C1=CC=C(CCC)C=C1)C(=O)[O-]	REAL300007961918	0	41	-1.0	-53.74	352.48	6.43	-47.31
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C(Br)=C1)C(=O)[O-]	REAL300007961919	0	36	-1.0	-50.51	336.86	4.31	-46.20
C=C(C)CC(NS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300007961920	0	35	-1.0	-50.47	327.53	5.39	-45.08
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300007961921	0	46	-1.0	-51.74	398.01	7.74	-44.00
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007961922	0	36	-1.0	-50.55	333.90	4.02	-46.53
C=C(C)CC(NS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300007961923	0	47	-1.0	-54.07	354.79	6.95	-47.12
C=C(C)CC(NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007961924	0	41	-1.0	-52.93	349.77	4.28	-48.65
C=C(C)CC(NS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1OC)C(=O)[O-]	REAL300007961925	0	48	-1.0	-59.65	386.18	6.62	-53.03
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007961926	0	37	-1.0	-59.99	332.14	5.39	-54.60
C=C(C)CC(NS(=O)(=O)C1=CC(Br)=CC=C1OC)C(=O)[O-]	REAL300007961927	0	36	-1.0	-44.20	339.81	4.77	-39.43
C=C(C)CC(NS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300007961928	0	50	-1.0	-43.17	390.10	8.02	-35.15
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007961929	0	35	-1.0	-49.65	325.46	5.36	-44.29
C=C(C)CC(NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007961930	0	42	-1.0	-44.95	353.29	6.80	-38.15
C=C(C)CC(NS(=O)(=O)C1=CC(OC)=CC=C1OC)C(=O)[O-]	REAL300007961931	0	40	-1.0	-48.29	347.98	3.42	-44.87
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C(OC)=C1)C(=O)[O-]	REAL300007961932	0	40	-1.0	-52.53	345.43	3.57	-48.96
C=C(C)CC(NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300007961933	0	39	-1.0	-55.14	332.53	6.25	-48.89
C=C(C)CC(NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007961934	0	40	-1.0	-53.98	339.11	6.72	-47.26
C=C(C)CC(NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007961935	0	37	-1.0	-44.30	324.55	4.09	-40.21
C=C(C)CC(NS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300007961936	0	47	-1.0	-53.34	390.37	7.78	-45.56
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC)C(OCC)=C1)C(=O)[O-]	REAL300007961937	0	46	-1.0	-52.25	389.33	5.29	-46.96
C=C(C)CC(NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007961938	0	37	-1.0	-56.26	342.03	-0.82	-57.08
C=C(C)CC(NS(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007961939	0	40	-1.0	-42.88	355.04	6.10	-36.78
C=C(C)CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300007961940	0	40	-1.0	-58.71	340.14	6.24	-52.47
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300007961941	0	40	-1.0	-50.66	336.05	6.00	-44.66
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007961942	0	38	-1.0	-64.81	327.33	4.61	-60.20
C=C(C)CC(NS(=O)(=O)C1=CC=C(Cl)C=C1OC)C(=O)[O-]	REAL300007961943	0	36	-1.0	-53.69	325.82	4.88	-48.81
C=C(C)CC(NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007961944	0	37	-1.0	-49.25	344.46	-0.75	-50.00
C=C(C)CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007961945	0	44	-1.0	-55.40	396.82	2.07	-53.33
C=C(C)CC(NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007961946	0	40	-1.0	-44.95	357.84	5.84	-39.11
C=C(C)CC(NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007961947	0	41	-1.0	-51.44	325.76	4.78	-46.66
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300007961948	0	40	-1.0	-47.57	346.86	5.56	-42.01
C=C(C)CC(NS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007961949	0	40	-1.0	-68.44	332.89	6.71	-61.73
C=C(C)CC(NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007961950	0	43	-1.0	-49.55	385.63	2.30	-47.25
C=C(C)CC(NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007961951	0	44	-1.0	-53.81	374.15	3.57	-50.24
C=C(C)CC(NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007961952	0	38	-1.0	-53.81	351.62	1.79	-52.02
C=C(C)CC(NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007961953	0	42	-1.0	-60.00	349.18	7.60	-52.40
C=C(C)CC(NS(=O)(=O)N1CC(C)CC(C)C1)C(=O)[O-]	REAL300007961954	0	43	-1.0	-41.93	345.99	4.82	-37.11
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007961955	0	38	-1.0	-61.56	319.53	6.00	-55.56
C=C(C)CC(NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007961956	0	42	-1.0	-54.28	361.20	7.66	-46.62
C=C(C)CC(NS(=O)(=O)C1=CC(F)=CC=C1C)C(=O)[O-]	REAL300007961957	0	35	-1.0	-55.63	299.79	4.87	-50.76
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007961958	0	46	-1.0	-58.46	372.96	5.85	-52.61
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007961959	0	33	-1.0	-54.78	305.63	2.97	-51.81
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC=C1OC)C(=O)[O-]	REAL300007961960	0	36	-1.0	-44.25	335.24	4.67	-39.58
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(C)(C)CC)C=C1)C(=O)[O-]	REAL300007961961	0	47	-1.0	-53.30	377.20	7.15	-46.15
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300007961962	0	35	-1.0	-54.31	323.42	5.30	-49.01
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300007961963	0	42	-1.0	-53.37	357.42	5.05	-48.32
C=C(C)CC(NS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007961964	0	35	-1.0	-41.32	326.36	5.41	-35.91
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007961965	0	33	-1.0	-63.78	296.83	3.22	-60.56
C=C(C)CC(NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007961966	0	37	-1.0	-58.56	336.36	6.32	-52.24
C=C(C)CC(NS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007961967	0	37	-1.0	-50.23	314.68	5.35	-44.88
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007961968	0	43	-1.0	-53.90	393.64	7.60	-46.30
C=C(C)CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1OC)C(=O)[O-]	REAL300007961969	0	38	-1.0	-50.71	337.43	5.05	-45.66
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C(F)=C1)C(=O)[O-]	REAL300007961970	0	36	-1.0	-50.55	323.66	3.57	-46.98
C=C(C)CC(NS(=O)(=O)C1=CC=C(C)C(F)=C1)C(=O)[O-]	REAL300007961971	0	35	-1.0	-55.05	314.67	4.90	-50.15
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007961972	0	43	-1.0	-51.22	392.57	7.63	-43.59
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)C(=O)[O-]	REAL300007961973	0	47	-1.0	-52.38	406.34	6.35	-46.03
C=C(C)CC(NS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300007961974	0	59	-1.0	-42.94	446.40	10.16	-32.78
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300007961975	0	48	-1.0	-48.02	400.03	7.53	-40.49
C=C(C)CC(NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007961976	0	35	-1.0	-39.93	345.14	5.91	-34.02
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C2=CC=CC=C21)C(=O)[O-]	REAL300007961977	0	42	-1.0	-47.18	359.60	5.99	-41.19
C=C(C)CC(NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007961978	0	37	-1.0	-49.81	324.83	5.57	-44.24
C=C(C)CC(NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007961979	0	37	-1.0	-49.42	318.66	5.34	-44.08
C=C(C)CC(NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1CC)C(=O)[O-]	REAL300007961980	0	40	-1.0	-60.32	339.93	6.46	-53.86
C=C(C)CC(NS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300007961981	0	44	-1.0	-53.46	368.95	6.90	-46.56
C=C(C)CC(NS(=O)(=O)C1=CC=C(CCOC)C=C1)C(=O)[O-]	REAL300007961982	0	42	-1.0	-53.89	364.73	4.71	-49.18
C=C(C)CC(NS(=O)(=O)N(CCOC)CCOC)C(=O)[O-]	REAL300007961983	0	44	-1.0	-41.95	363.00	1.54	-40.41
C=C(C)CC(NS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007961984	0	35	-1.0	-55.03	310.37	5.31	-49.72
C=C(C)CC(NS(=O)(=O)C1=CC(C)=C(OC)C(C)=C1)C(=O)[O-]	REAL300007961985	0	42	-1.0	-45.80	364.47	5.15	-40.65
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300007961986	0	48	-1.0	-53.02	398.91	6.58	-46.44
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007961987	0	46	-1.0	-52.10	381.62	6.56	-45.54
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300007961988	0	45	-1.0	-52.83	380.73	5.94	-46.89
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCCC)C=C1)C(=O)[O-]	REAL300007961989	0	42	-1.0	-53.03	360.86	5.23	-47.80
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C(Cl)=C1)C(=O)[O-]	REAL300007961990	0	36	-1.0	-50.35	332.23	4.22	-46.13
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007961991	0	36	-1.0	-51.73	342.23	4.47	-47.26
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C(C)=C1)C(=O)[O-]	REAL300007961992	0	39	-1.0	-52.85	336.51	4.38	-48.47
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300007961993	0	45	-1.0	-52.37	377.06	5.81	-46.56
C=C(C)CC(NS(=O)(=O)C1=CC=C(OC)C=C1C)C(=O)[O-]	REAL300007961994	0	39	-1.0	-54.15	323.89	4.65	-49.50
C=C(C)CC(NS(=O)(=O)C1=CC=C(OCCOC)C=C1)C(=O)[O-]	REAL300007961995	0	43	-1.0	-55.40	372.75	3.71	-51.69
C=C(C)CC(NS(=O)(=O)CC1=CC=CC=C1F)C(=O)[O-]	REAL300007961996	0	35	-1.0	-56.15	315.62	5.01	-51.14
C=C(C)CC(NS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007961997	0	35	-1.0	-51.00	315.98	5.64	-45.36
C=C(C)CC(NS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300007961998	0	40	-1.0	-50.07	339.45	7.13	-42.94
C=C(C)CC(NS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300007961999	0	41	-1.0	-65.05	356.36	2.32	-62.73
C=C(C)CC(NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007962000	0	44	-1.0	-54.70	396.82	2.07	-52.63
CC1=C(Br)C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007972631	0	33	-1.0	-48.69	315.67	4.72	-43.97
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972632	0	39	-1.0	-58.98	321.15	3.24	-55.74
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C	REAL300007972633	0	39	-1.0	-56.93	342.27	0.01	-56.92
C[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007972634	0	46	-1.0	-53.52	337.39	4.73	-48.79
CC1=NC2=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=CC=C2C=C1	REAL300007972635	0	36	-1.0	-63.74	299.23	4.57	-59.17
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007972636	0	36	-1.0	-65.18	314.25	4.92	-60.26
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCCCO1	REAL300007972637	0	46	-1.0	-62.00	380.43	5.48	-56.52
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007972638	0	39	-1.0	-54.30	328.13	1.40	-52.90
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972639	0	42	-1.0	-60.95	360.95	4.08	-56.87
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972640	0	42	-1.0	-61.36	354.79	4.40	-56.96
COCCOCCOCCS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972641	0	42	-1.0	-57.80	357.92	0.34	-57.46
CC(COC1CCCC1)CS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972642	0	44	-1.0	-57.92	350.27	4.39	-53.53
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1	REAL300007972643	0	43	-1.0	-61.75	361.29	4.31	-57.44
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972644	0	35	-1.0	-51.94	319.11	3.21	-48.73
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(OC)=C1	REAL300007972645	0	46	-1.0	-62.07	387.63	1.09	-60.98
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007972646	0	36	-1.0	-52.63	309.03	0.62	-52.01
COC1=CC(Br)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972647	0	32	-1.0	-52.01	301.68	2.83	-49.18
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007972648	0	32	-1.0	-52.33	281.69	3.05	-49.28
COC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007972649	0	34	-1.0	-50.44	306.43	3.65	-46.79
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972650	0	34	-1.0	-51.03	304.52	4.80	-46.23
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972651	0	34	-1.0	-55.02	304.67	4.87	-50.15
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1C(F)(F)F	REAL300007972652	0	34	-1.0	-50.17	305.35	4.43	-45.74
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007972653	0	35	-1.0	-57.86	315.24	3.45	-54.41
CCCCCCCCN1N=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1C	REAL300007972654	0	55	-1.0	-52.48	434.42	7.27	-45.21
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1F	REAL300007972655	0	42	-1.0	-54.23	371.38	1.33	-52.90
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007972656	0	36	-1.0	-58.64	322.92	5.19	-53.45
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007972657	0	31	-1.0	-58.03	294.50	4.36	-53.67
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1Br	REAL300007972658	0	31	-1.0	-56.78	289.94	4.30	-52.48
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007972659	0	35	-1.0	-66.91	315.49	0.77	-66.14
CC1=CC(Br)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972660	0	31	-1.0	-51.61	293.60	4.19	-47.42
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972661	0	31	-1.0	-51.92	285.05	4.38	-47.54
COC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1Br	REAL300007972662	0	32	-1.0	-50.66	300.82	2.88	-47.78
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300007972663	0	36	-1.0	-56.60	313.06	2.65	-53.95
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007972664	0	31	-1.0	-54.48	294.94	1.94	-52.54
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1	REAL300007972665	0	39	-1.0	-53.38	328.32	4.17	-49.21
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007972666	0	31	-1.0	-57.70	281.04	1.90	-55.80
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972667	0	39	-1.0	-60.95	304.94	1.49	-59.46
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1I	REAL300007972668	0	31	-1.0	-52.19	296.25	4.55	-47.64
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972669	0	40	-1.0	-57.42	354.57	2.13	-55.29
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972670	0	45	-1.0	-57.18	387.66	2.63	-54.55
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972671	0	45	-1.0	-63.71	393.80	1.42	-62.29
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1	REAL300007972672	0	36	-1.0	-56.09	329.86	-0.32	-56.41
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S1	REAL300007972673	0	42	-1.0	-61.06	386.09	0.56	-60.50
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(OC)=C1	REAL300007972674	0	43	-1.0	-62.27	366.13	0.29	-61.98
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(F)=C1	REAL300007972675	0	42	-1.0	-59.11	365.84	0.90	-58.21
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972676	0	42	-1.0	-55.32	370.03	0.70	-54.62
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C	REAL300007972677	0	39	-1.0	-67.83	331.71	2.86	-64.97
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1F	REAL300007972678	0	42	-1.0	-54.83	372.82	1.36	-53.47
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1	REAL300007972679	0	43	-1.0	-64.10	347.41	3.77	-60.33
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1F	REAL300007972680	0	39	-1.0	-54.98	351.32	0.58	-54.40
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007972681	0	43	-1.0	-55.83	364.64	3.34	-52.49
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007972682	0	40	-1.0	-56.18	341.97	2.92	-53.26
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972683	0	37	-1.0	-59.19	333.07	1.33	-57.86
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972684	0	38	-1.0	-66.11	328.17	0.31	-65.80
CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300007972685	0	35	-1.0	-53.40	322.65	3.80	-49.60
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C1=CC=CC=C1	REAL300007972686	0	42	-1.0	-54.83	359.07	5.97	-48.86
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007972687	0	32	-1.0	-52.16	292.03	3.50	-48.66
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300007972688	0	34	-1.0	-53.13	331.34	1.03	-52.10
COC1=CC=C(Br)C(CS(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972689	0	35	-1.0	-57.65	319.39	3.61	-54.04
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1	REAL300007972690	0	42	-1.0	-52.73	363.89	4.85	-47.88
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972691	0	35	-1.0	-56.43	306.93	3.97	-52.46
CC(C)N1N=CC2=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C21	REAL300007972692	0	40	-1.0	-54.40	341.56	4.44	-49.96
CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972693	0	35	-1.0	-61.77	313.31	-2.22	-63.99
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300007972694	0	34	-1.0	-53.39	301.42	4.71	-48.68
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007972695	0	31	-1.0	-52.25	306.35	4.87	-47.38
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007972696	0	34	-1.0	-52.36	313.23	5.62	-46.74
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21	REAL300007972697	0	31	-1.0	-53.21	305.21	4.79	-48.42
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007972698	0	34	-1.0	-58.27	309.29	5.83	-52.44
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007972699	0	34	-1.0	-55.86	311.90	4.69	-51.17
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007972700	0	39	-1.0	-57.83	330.58	4.41	-53.42
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007972701	0	42	-1.0	-58.39	353.06	6.29	-52.10
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1	REAL300007972702	0	41	-1.0	-58.34	358.29	4.48	-53.86
C[C@H](CC(=O)[O-])NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007972703	0	39	-1.0	-61.51	349.44	0.09	-61.42
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007972704	0	37	-1.0	-52.63	315.85	5.76	-46.87
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1N(C)C	REAL300007972705	0	39	-1.0	-53.58	325.51	3.56	-50.02
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007972706	0	34	-1.0	-57.11	310.79	4.97	-52.14
COC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300007972707	0	35	-1.0	-54.82	313.01	3.56	-51.26
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1	REAL300007972708	0	37	-1.0	-70.57	333.90	1.26	-69.31
CSC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300007972709	0	32	-1.0	-53.25	306.11	4.38	-48.87
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972710	0	40	-1.0	-52.88	327.98	3.36	-49.52
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007972711	0	36	-1.0	-51.57	322.07	1.45	-50.12
CCC1=NOC2=NC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C12	REAL300007972712	0	35	-1.0	-50.10	312.15	0.62	-49.48
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007972713	0	39	-1.0	-51.30	347.42	2.68	-48.62
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007972714	0	34	-1.0	-52.61	318.08	5.79	-46.82
CCC1=CC(CC)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(CC)=C1	REAL300007972715	0	46	-1.0	-52.35	352.64	7.50	-44.85
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972716	1	43	-1.0	-58.69	364.26	0.01	-58.68
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007972717	0	34	-1.0	-50.66	319.49	0.95	-49.71
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007972718	0	37	-1.0	-65.54	318.34	6.76	-58.78
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1F	REAL300007972719	0	35	-1.0	-52.46	300.61	3.20	-49.26
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007972720	0	37	-1.0	-55.08	311.56	4.29	-50.79
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007972722	0	36	-1.0	-51.21	320.32	4.13	-47.08
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972723	0	35	-1.0	-51.74	322.70	3.14	-48.60
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007972725	0	28	-1.0	-50.69	283.31	3.13	-47.56
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007972726	0	41	-1.0	-57.97	338.19	6.32	-51.65
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1	REAL300007972727	0	39	-1.0	-58.50	331.32	3.75	-54.75
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007972728	0	37	-1.0	-66.44	310.59	0.20	-66.24
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007972729	0	31	-1.0	-52.49	288.07	3.44	-49.05
COC1=CC=C2C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])CCC2=C1	REAL300007972730	0	40	-1.0	-54.42	336.23	4.67	-49.75
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC(C)(C)S(C)(=O)=O	REAL300007972731	0	39	-1.0	-65.10	322.69	0.14	-64.96
CC1=NN(C2=CC=CC=C2)C2=NC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C12	REAL300007972732	0	43	-1.0	-53.91	374.28	6.16	-47.75
CC1=NN(C2CCOCC2)C2=NC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C12	REAL300007972733	0	47	-1.0	-52.18	392.37	3.67	-48.51
CCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007972734	0	36	-1.0	-56.49	313.33	4.74	-51.75
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007972735	0	28	-1.0	-50.79	272.20	3.53	-47.26
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972736	0	33	-1.0	-58.13	294.00	4.48	-53.65
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972737	0	35	-1.0	-56.76	310.35	4.31	-52.45
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972738	0	43	-1.0	-55.99	342.14	6.19	-49.80
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007972739	0	31	-1.0	-52.17	289.63	3.90	-48.27
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007972740	0	31	-1.0	-56.23	275.27	4.43	-51.80
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007972741	0	34	-1.0	-57.76	306.43	3.66	-54.10
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1	REAL300007972742	0	44	-1.0	-55.93	379.27	0.48	-55.45
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972743	0	45	-1.0	-55.00	387.67	2.63	-52.37
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1	REAL300007972744	0	39	-1.0	-55.43	346.47	0.91	-54.52
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300007972745	0	32	-1.0	-53.73	300.81	2.88	-50.85
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300007972746	0	34	-1.0	-48.73	328.71	4.93	-43.80
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1Br	REAL300007972747	0	31	-1.0	-50.84	290.37	4.09	-46.75
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2)=C1	REAL300007972748	0	42	-1.0	-53.46	361.00	6.42	-47.04
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007972749	0	32	-1.0	-50.77	296.89	2.70	-48.07
CC1=C(C)C(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1C	REAL300007972750	0	43	-1.0	-54.04	326.20	6.05	-47.99
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007972751	0	37	-1.0	-54.34	313.70	2.85	-51.49
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972752	0	44	-1.0	-58.38	343.65	5.11	-53.27
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1	REAL300007972753	0	35	-1.0	-55.33	326.31	5.29	-50.04
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007972754	0	33	-1.0	-53.46	295.14	4.11	-49.35
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972755	0	32	-1.0	-56.23	288.77	3.41	-52.82
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972756	0	46	-1.0	-51.95	354.12	6.74	-45.21
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007972757	0	31	-1.0	-50.42	289.64	3.91	-46.51
COC1=CC=C(OC)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972758	0	36	-1.0	-59.47	296.93	2.07	-57.40
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1OC	REAL300007972759	0	36	-1.0	-54.47	309.63	2.11	-52.36
CC(C)CCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972760	0	43	-1.0	-53.68	354.34	6.42	-47.26
CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1OCC	REAL300007972761	0	42	-1.0	-54.15	353.36	3.97	-50.18
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1	REAL300007972762	0	33	-1.0	-57.03	305.15	-2.14	-59.17
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007972763	0	36	-1.0	-52.89	311.97	4.63	-48.26
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1C	REAL300007972764	0	36	-1.0	-56.87	311.91	5.05	-51.82
CC1=CC2=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C2N=C1	REAL300007972765	0	36	-1.0	-62.60	300.34	4.70	-57.90
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C([N+](=O)[O-])=C1	REAL300007972766	0	34	-1.0	-57.53	297.75	3.79	-53.74
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972767	0	32	-1.0	-54.33	284.21	3.30	-51.03
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1	REAL300007972768	0	33	-1.0	-58.45	305.09	-2.13	-60.58
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007972769	0	40	-1.0	-57.80	359.92	0.76	-57.04
C[C@H](CC(=O)[O-])NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl	REAL300007972770	0	36	-1.0	-55.01	318.43	4.61	-50.40
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CN=C12	REAL300007972771	0	36	-1.0	-55.13	307.97	4.24	-50.89
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C	REAL300007972772	0	36	-1.0	-59.47	307.55	5.70	-53.77
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1	REAL300007972773	0	39	-1.0	-57.23	346.41	0.91	-56.32
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007972774	0	40	-1.0	-63.93	336.93	2.25	-61.68
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1	REAL300007972775	0	34	-1.0	-60.03	311.61	0.43	-59.60
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007972776	0	38	-1.0	-57.19	316.38	6.91	-50.28
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007972777	0	38	-1.0	-54.36	325.07	6.32	-48.04
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12	REAL300007972778	0	42	-1.0	-54.99	346.03	5.16	-49.83
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007972779	0	29	-1.0	-59.11	265.37	1.30	-57.81
COC1=CC=C(Cl)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972780	0	32	-1.0	-56.32	284.20	3.30	-53.02
CCC(C)(C)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972781	0	43	-1.0	-53.33	341.31	5.70	-47.63
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972782	0	38	-1.0	-52.98	320.17	3.76	-49.22
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007972783	0	33	-1.0	-53.67	307.58	5.35	-48.32
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007972784	0	39	-1.0	-54.34	356.39	6.30	-48.04
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972785	0	34	-1.0	-52.42	295.69	3.45	-48.97
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007972786	0	39	-1.0	-52.73	356.29	6.27	-46.46
COC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2)C=C1	REAL300007972787	0	43	-1.0	-52.86	369.09	5.05	-47.81
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C(C)C)=C1	REAL300007972788	0	55	-1.0	-53.11	413.57	8.97	-44.14
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC=C12	REAL300007972789	0	44	-1.0	-55.71	360.84	6.20	-49.51
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007972790	0	31	-1.0	-57.25	305.12	4.71	-52.54
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC=C12	REAL300007972791	0	38	-1.0	-56.25	320.83	4.68	-51.57
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1	REAL300007972792	0	46	-1.0	-55.77	388.01	2.90	-52.87
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C1(C)NC(=O)NC1=O	REAL300007972793	0	44	-1.0	-58.54	370.70	0.56	-57.98
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972794	0	33	-1.0	-49.95	295.57	4.49	-45.46
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972795	0	33	-1.0	-51.84	288.87	4.28	-47.56
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972796	0	36	-1.0	-58.08	311.79	5.41	-52.67
COCCC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972797	0	38	-1.0	-53.96	327.45	3.42	-50.54
COC1=C(C)C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C	REAL300007972798	0	38	-1.0	-52.71	324.49	3.79	-48.92
CC(C)CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972799	0	44	-1.0	-52.75	362.79	5.24	-47.51
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007972800	0	42	-1.0	-52.69	345.53	5.13	-47.56
CC(C)COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972801	0	41	-1.0	-52.99	343.83	4.63	-48.36
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972802	0	38	-1.0	-53.03	323.72	3.93	-49.10
COC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Cl	REAL300007972803	0	32	-1.0	-53.74	296.42	2.77	-50.97
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007972804	0	32	-1.0	-53.03	306.18	3.04	-49.99
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1OC(C)C	REAL300007972805	0	41	-1.0	-53.44	340.28	4.51	-48.93
COCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972806	0	39	-1.0	-55.29	335.85	2.40	-52.89
CC1=CC(Br)=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972807	0	31	-1.0	-51.50	287.07	4.42	-47.08
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1C	REAL300007972808	0	36	-1.0	-59.51	300.43	5.94	-53.57
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972809	0	37	-1.0	-63.44	326.49	1.33	-62.11
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007972810	0	40	-1.0	-55.52	359.92	0.76	-54.76
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972811	0	36	-1.0	-55.98	327.49	-0.92	-56.90
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972812	0	36	-1.0	-55.49	309.38	1.30	-54.19
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007972813	0	38	-1.0	-56.49	325.09	6.32	-50.17
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007972814	0	31	-1.0	-55.92	306.67	4.75	-51.17
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])S2)=CS1	REAL300007972815	0	34	-1.0	-54.10	330.19	3.48	-50.62
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007972816	0	48	-1.0	-52.84	385.46	6.53	-46.31
CC1=CC2=CC=CN=C2C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972817	0	36	-1.0	-62.48	300.41	4.71	-57.77
CNC(=O)C1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CN1C	REAL300007972818	0	36	-1.0	-55.73	314.86	0.52	-55.21
COC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1	REAL300007972819	0	38	-1.0	-51.66	307.29	3.71	-47.95
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007972820	0	39	-1.0	-54.53	335.13	7.03	-47.50
COC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C	REAL300007972821	0	38	-1.0	-55.02	315.31	3.84	-51.18
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CN=C2C=C1	REAL300007972822	0	36	-1.0	-53.74	295.89	4.03	-49.71
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1	REAL300007972823	0	41	-1.0	-57.87	350.72	6.74	-51.13
CCN1C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300007972824	0	33	-1.0	-56.39	301.65	3.77	-52.62
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007972825	0	35	-1.0	-54.39	321.82	3.60	-50.79
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007972826	0	42	-1.0	-54.02	362.13	6.20	-47.82
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007972827	0	38	-1.0	-55.91	336.98	4.43	-51.48
CC(C)CCN(CCC(C)C)S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972828	0	50	-1.0	-39.51	380.20	5.87	-33.64
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1	REAL300007972829	0	36	-1.0	-59.78	324.47	-0.38	-60.16
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1	REAL300007972830	0	43	-1.0	-57.42	372.85	2.05	-55.37
CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC=C12	REAL300007972831	0	41	-1.0	-55.82	342.69	5.60	-50.22
CCOC1=CC=C(C)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972832	0	38	-1.0	-58.96	310.48	4.36	-54.60
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007972833	0	33	-1.0	-66.61	299.24	3.07	-63.54
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007972834	0	35	-1.0	-53.40	311.54	3.99	-49.41
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972835	0	42	-1.0	-55.30	357.71	3.37	-51.93
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972836	0	44	-1.0	-52.93	366.72	5.49	-47.44
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007972837	0	34	-1.0	-58.79	297.83	4.83	-53.96
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007972838	0	32	-1.0	-51.28	307.29	4.37	-46.91
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007972839	0	36	-1.0	-63.48	313.09	4.28	-59.20
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007972840	0	33	-1.0	-56.54	299.18	3.09	-53.45
CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1	REAL300007972841	0	38	-1.0	-53.63	318.66	4.07	-49.56
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972842	0	36	-1.0	-58.66	327.52	-0.92	-59.58
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007972843	0	32	-1.0	-55.24	275.34	2.98	-52.26
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1	REAL300007972844	0	46	-1.0	-58.71	388.04	2.90	-55.81
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007972845	0	34	-1.0	-58.98	311.93	4.74	-54.24
CCN(CC1=CC=CC=C1)S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972846	0	39	-1.0	-56.58	315.37	5.10	-51.48
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007972847	0	34	-1.0	-57.62	277.34	2.30	-55.32
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007972848	0	40	-1.0	-56.09	346.01	4.95	-51.14
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(F)(F)F	REAL300007972849	0	34	-1.0	-52.01	305.35	4.44	-47.57
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007972850	0	34	-1.0	-55.50	313.21	4.63	-50.87
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007972851	0	37	-1.0	-55.71	315.72	4.50	-51.21
CC1=NN(C)C2=NC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C12	REAL300007972852	0	36	-1.0	-51.87	317.21	2.62	-49.25
COC1=CC=C(Cl)C=C1CS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972853	0	35	-1.0	-58.62	318.11	3.64	-54.98
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2	REAL300007972854	0	39	-1.0	-59.63	330.30	4.19	-55.44
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007972855	0	40	-1.0	-65.09	347.48	1.41	-63.68
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007972856	0	35	-1.0	-56.75	319.20	3.53	-53.22
COC1=CC(OC)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300007972857	0	36	-1.0	-56.55	317.45	2.76	-53.79
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(COCC(F)(F)C(F)F)=C1	REAL300007972858	0	41	-1.0	-58.61	373.22	4.94	-53.67
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007972859	0	36	-1.0	-57.28	312.49	3.45	-53.83
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007972860	0	31	-1.0	-56.74	300.25	4.64	-52.10
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972861	0	40	-1.0	-60.62	338.65	1.93	-58.69
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007972862	0	39	-1.0	-53.36	356.32	6.27	-47.09
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007972863	0	34	-1.0	-55.20	317.34	3.57	-51.63
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007972864	0	34	-1.0	-53.39	334.06	4.09	-49.30
CC1=NC(C2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2)=CO1	REAL300007972865	0	37	-1.0	-57.96	327.28	1.97	-55.99
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(F)(F)F	REAL300007972866	0	31	-1.0	-53.88	291.96	1.92	-51.96
CC1=CC=C(N2C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=N2)C=C1	REAL300007972867	0	38	-1.0	-53.15	332.95	4.67	-48.48
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1	REAL300007972868	0	36	-1.0	-51.64	324.67	4.03	-47.61
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007972869	0	33	-1.0	-49.46	297.81	4.21	-45.25
COC1=CC=CC=C1N1C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=N1	REAL300007972870	0	39	-1.0	-57.73	338.74	3.62	-54.11
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007972871	0	30	-1.0	-52.33	282.86	2.40	-49.93
CC1=CC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2C=C1	REAL300007972872	0	37	-1.0	-54.74	318.20	5.84	-48.90
C[C@H](CC(=O)[O-])NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007972873	0	34	-1.0	-55.67	311.43	5.04	-50.63
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCCN(C)C2=C1	REAL300007972874	0	40	-1.0	-54.92	325.14	3.47	-51.45
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007972875	0	30	-1.0	-50.02	285.60	2.11	-47.91
COC1=CC=CC(OC)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972876	0	36	-1.0	-62.59	304.08	3.43	-59.16
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972877	0	36	-1.0	-50.78	310.23	4.94	-45.84
CC1=CC=C(C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1[N+](=O)[O-]	REAL300007972878	0	36	-1.0	-60.68	307.52	5.86	-54.82
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300007972879	0	36	-1.0	-58.16	310.31	4.97	-53.19
COC1=CC=C(CCS(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972880	0	38	-1.0	-57.13	324.20	3.82	-53.31
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)S1	REAL300007972881	0	37	-1.0	-53.99	323.78	4.58	-49.41
COC1=CC(OC)=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972882	0	36	-1.0	-55.73	309.87	1.52	-54.21
CC1=CC2=C(C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-])OCO2	REAL300007972883	0	34	-1.0	-54.70	293.58	2.37	-52.33
COC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC=C1Cl	REAL300007972884	0	32	-1.0	-50.89	296.43	2.77	-48.12
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007972885	0	36	-1.0	-63.89	303.70	4.68	-59.21
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972886	0	36	-1.0	-47.47	306.13	5.09	-42.38
COC1=CC(C)=CC(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972887	0	38	-1.0	-58.02	313.66	4.67	-53.35
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007972888	0	34	-1.0	-61.00	300.72	4.40	-56.60
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007972889	0	35	-1.0	-60.04	306.88	2.65	-57.39
C[C@H](CC(=O)[O-])NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007972890	0	41	-1.0	-60.07	350.23	4.59	-55.48
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC=CC(F)=C21	REAL300007972891	0	32	-1.0	-60.67	290.01	3.10	-57.57
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007972892	0	30	-1.0	-60.33	271.42	2.80	-57.53
CC1=CSC(C2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2)=N1	REAL300007972893	0	37	-1.0	-53.95	337.12	4.38	-49.57
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007972894	0	35	-1.0	-61.30	315.99	0.77	-60.53
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007972895	0	37	-1.0	-55.27	301.44	3.24	-52.03
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007972896	0	31	-1.0	-55.92	293.08	4.26	-51.66
CCCCCCCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972897	0	53	-1.0	-52.87	431.22	7.84	-45.03
CCCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972898	0	38	-1.0	-56.67	331.84	5.12	-51.55
CCC(C)OC1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972899	0	41	-1.0	-54.81	340.94	4.57	-50.24
COC(CS(=O)(=O)N[C@H](C)CC(=O)[O-])C1CCCCC1	REAL300007972900	0	44	-1.0	-54.58	339.80	3.83	-50.75
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007972901	0	42	-1.0	-55.05	368.36	6.26	-48.79
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(C)C	REAL300007972902	0	47	-1.0	-53.22	382.34	5.96	-47.26
CCC1=NC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CN1CC1CC1	REAL300007972903	0	41	-1.0	-60.19	343.74	5.91	-54.28
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007972904	0	36	-1.0	-51.81	314.48	5.37	-46.44
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007972905	0	41	-1.0	-51.34	351.96	5.21	-46.13
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C(F)(F)F)=NN1C	REAL300007972906	0	31	-1.0	-47.47	292.59	1.50	-45.97
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007972907	0	39	-1.0	-55.21	351.52	7.00	-48.21
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007972908	0	38	-1.0	-58.46	317.60	6.38	-52.08
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1	REAL300007972909	0	48	-1.0	-53.36	406.25	7.81	-45.55
CCC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(C)C=C1OC	REAL300007972910	0	41	-1.0	-55.09	336.94	4.59	-50.50
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007972911	0	34	-1.0	-50.19	322.11	4.78	-45.41
CC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300007972912	0	37	-1.0	-55.92	302.81	6.10	-49.82
CC(C)OC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=N1	REAL300007972913	0	37	-1.0	-51.11	320.06	1.41	-49.70
CCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(C)C	REAL300007972914	0	44	-1.0	-53.70	360.83	5.16	-48.54
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1	REAL300007972915	0	40	-1.0	-51.54	329.13	5.16	-46.38
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007972916	0	47	-1.0	-57.56	375.06	7.55	-50.01
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2CCCCC2=NN1C	REAL300007972917	0	38	-1.0	-50.74	308.26	2.86	-47.88
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C(C)(C)C	REAL300007972918	0	40	-1.0	-53.20	313.73	3.55	-49.65
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007972919	0	38	-1.0	-53.36	318.38	3.22	-50.14
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(C(F)(F)F)C=NN1C	REAL300007972920	0	31	-1.0	-47.67	281.96	1.93	-45.74
COC1=CC=C(F)C=C1CS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972921	0	35	-1.0	-58.93	307.78	3.19	-55.74
CCCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(C)C	REAL300007972922	0	50	-1.0	-52.69	403.84	6.74	-45.95
C[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007972923	0	32	-1.0	-53.74	300.23	4.65	-49.09
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(C)(C)C	REAL300007972924	0	50	-1.0	-53.45	394.90	6.63	-46.82
CCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1CC	REAL300007972925	0	44	-1.0	-52.75	365.46	5.44	-47.31
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972926	0	34	-1.0	-49.08	294.61	4.92	-44.16
COCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300007972927	0	39	-1.0	-55.47	356.29	3.07	-52.40
CC1=CC(Br)=CC=C1CS(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972928	0	34	-1.0	-55.91	308.83	5.00	-50.91
C[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007972929	0	32	-1.0	-55.49	297.73	4.56	-50.93
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972930	0	44	-1.0	-54.71	364.36	5.63	-49.08
CSC1=CC=C(OC2=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C2)C=C1	REAL300007972931	0	43	-1.0	-52.26	379.77	6.77	-45.49
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007972932	0	38	-1.0	-49.92	320.97	3.51	-46.41
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1	REAL300007972933	0	39	-1.0	-58.27	316.16	0.86	-57.41
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007972934	0	34	-1.0	-53.31	317.64	3.84	-49.47
CCCCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(C)C	REAL300007972935	0	53	-1.0	-53.12	425.34	7.52	-45.60
COC1=CC(C(C)C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C	REAL300007972936	0	44	-1.0	-55.85	352.27	5.06	-50.79
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972937	0	38	-1.0	-57.06	310.22	4.53	-52.53
CCOCCOC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1C(C)C	REAL300007972938	0	51	-1.0	-55.33	416.32	5.38	-49.95
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN=C(C(C)(C)C)S1	REAL300007972939	0	36	-1.0	-52.03	319.44	2.61	-49.42
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007972940	0	34	-1.0	-57.39	301.04	3.42	-53.97
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CNC2=CC(Br)=CC=C21	REAL300007972941	0	32	-1.0	-56.17	294.08	2.97	-53.20
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=C1F	REAL300007972942	0	37	-1.0	-51.02	303.15	5.51	-45.51
COC1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1OC	REAL300007972943	0	36	-1.0	-55.67	308.81	2.75	-52.92
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCCC1	REAL300007972944	0	41	-1.0	-54.23	340.20	3.79	-50.44
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972945	0	40	-1.0	-54.03	328.98	3.47	-50.56
CCCCN1C=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(C)=N1	REAL300007972946	0	40	-1.0	-53.24	341.90	3.66	-49.58
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007972947	0	32	-1.0	-55.07	290.12	2.49	-52.58
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1Br	REAL300007972948	0	34	-1.0	-54.59	305.27	4.99	-49.60
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007972949	0	34	-1.0	-50.95	320.53	4.09	-46.86
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCC1	REAL300007972950	0	38	-1.0	-54.33	323.43	3.37	-50.96
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972951	0	46	-1.0	-56.51	363.44	6.89	-49.62
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007972952	0	34	-1.0	-52.14	322.12	4.79	-47.35
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007972953	0	38	-1.0	-53.13	324.95	3.52	-49.61
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007972954	0	39	-1.0	-58.06	337.41	5.79	-52.27
COC1=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=NC=CC=C2C=C1	REAL300007972955	0	37	-1.0	-69.36	315.42	4.13	-65.23
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CN=C1C(F)(F)F	REAL300007972956	0	33	-1.0	-48.74	301.84	2.73	-46.01
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007972957	0	31	-1.0	-49.23	296.04	3.98	-45.25
CCCC(=O)C1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972958	0	39	-1.0	-60.62	335.49	4.94	-55.68
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007972959	0	39	-1.0	-55.38	320.92	6.02	-49.36
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007972960	0	34	-1.0	-52.30	314.75	3.99	-48.31
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300007972961	0	35	-1.0	-62.91	302.51	1.39	-61.52
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972962	0	38	-1.0	-51.45	347.10	3.68	-47.77
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007972963	0	28	-1.0	-53.80	270.02	3.26	-50.54
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007972964	0	38	-1.0	-50.39	315.81	3.51	-46.88
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1CCOCC1	REAL300007972965	0	42	-1.0	-54.36	348.09	2.02	-52.34
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1	REAL300007972966	0	34	-1.0	-53.27	304.12	4.44	-48.83
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007972967	0	32	-1.0	-54.11	290.13	2.49	-51.62
C[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007972968	0	43	-1.0	-55.13	345.83	5.70	-49.43
CC1=CC(C)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=NC=CC=C12	REAL300007972969	0	39	-1.0	-62.38	318.46	4.99	-57.39
C[C@H](CC(=O)[O-])NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007972970	0	36	-1.0	-54.80	305.84	3.15	-51.65
CCOCC1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007972971	0	38	-1.0	-55.65	327.83	3.60	-52.05
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007972972	0	31	-1.0	-54.05	310.03	4.93	-49.12
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C	REAL300007972973	0	38	-1.0	-51.12	330.65	4.06	-47.06
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007972974	0	41	-1.0	-53.24	337.37	3.81	-49.43
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007972975	0	39	-1.0	-52.56	339.59	5.75	-46.81
CC1=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=CC(C)=C1Br	REAL300007972976	0	34	-1.0	-51.06	308.59	4.65	-46.41
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1	REAL300007972977	0	31	-1.0	-54.05	310.03	4.93	-49.12
CC1=CC=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C2=CC=CC=C12	REAL300007972978	0	37	-1.0	-57.72	310.32	5.85	-51.87
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1	REAL300007972979	0	38	-1.0	-56.25	325.84	4.42	-51.83
C[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007972980	0	32	-1.0	-53.69	304.79	4.75	-48.94
C[C@H](CC(=O)[O-])NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007972981	0	32	-1.0	-53.28	304.78	4.76	-48.52
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007972982	0	30	-1.0	-54.32	281.82	2.30	-52.02
CC1=NC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007972983	0	37	-1.0	-60.73	320.29	3.34	-57.39
C[C@H](CC(=O)[O-])NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007972984	0	45	-1.0	-58.39	326.45	5.90	-52.49
C[C@H](CC(=O)[O-])NS(=O)(=O)CCCCS(C)(=O)=O	REAL300007972985	0	36	-1.0	-65.96	319.92	-0.16	-66.12
C[C@H](CC(=O)[O-])NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007972986	0	32	-1.0	-63.16	297.42	2.06	-61.10
C[C@H](CC(=O)[O-])NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007972987	0	38	-1.0	-59.33	331.38	5.89	-53.44
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C	REAL300007972988	0	50	-1.0	-54.08	380.57	7.09	-46.99
COC1=CC=C(C=C(C)S(=O)(=O)N[C@H](C)CC(=O)[O-])C=C1	REAL300007972989	0	39	-1.0	-54.69	323.76	4.12	-50.57
COC1=CSC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1OC	REAL300007972990	0	33	-1.0	-60.15	294.34	1.23	-58.92
C[C@H](CC(=O)[O-])NS(=O)(=O)N(C)CCC1=CC=CC=C1	REAL300007972991	0	39	-1.0	-54.76	329.11	4.88	-49.88
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007972992	0	32	-1.0	-54.02	299.98	3.68	-50.34
COC1=CC(F)=C(S(=O)(=O)N[C@H](C)CC(=O)[O-])C(F)=C1	REAL300007972993	0	32	-1.0	-56.24	288.52	2.47	-53.77
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007972994	0	32	-1.0	-55.44	296.34	2.55	-52.89
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007972995	0	37	-1.0	-52.45	329.75	3.40	-49.05
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N[C@H](C)CC(=O)[O-]	REAL300007972996	0	41	-1.0	-53.05	339.05	5.10	-47.95
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007972997	0	39	-1.0	-56.20	341.32	5.83	-50.37
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=CC=C1C(C)(F)F	REAL300007972998	0	34	-1.0	-62.29	287.21	4.90	-57.39
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007972999	0	29	-1.0	-55.57	282.10	1.78	-53.79
C=C(C)COC1=CC=CC(S(=O)(=O)N[C@H](C)CC(=O)[O-])=C1	REAL300007973000	0	39	-1.0	-55.27	334.24	4.52	-50.75
COC1=CC=C(F)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974552	0	34	-1.0	-49.56	299.95	1.42	-48.14
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974553	0	41	-1.0	-51.30	351.82	1.78	-49.52
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C	REAL300007974554	0	41	-1.0	-51.40	361.68	-1.54	-52.94
O=C([O-])C1(O)CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007974555	0	48	-1.0	-46.98	356.32	3.20	-43.78
CC1=NC2=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=CC=C2C=C1	REAL300007974556	0	38	-1.0	-54.57	326.08	3.05	-51.52
O=C([O-])C1(O)CCN(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007974557	0	38	-1.0	-53.03	333.92	3.43	-49.60
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007974558	0	41	-1.0	-49.53	346.58	0.08	-49.45
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974559	0	44	-1.0	-50.62	386.85	2.66	-47.96
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974560	0	44	-1.0	-50.68	379.15	2.66	-48.02
CCCN1C=NC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974561	0	36	-1.0	-51.47	317.30	2.26	-49.21
COCCOCCOCCS(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974562	0	44	-1.0	-53.52	377.40	-1.14	-54.66
CC(COC1CCCC1)CS(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974563	0	46	-1.0	-46.01	369.97	2.91	-43.10
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974564	0	37	-1.0	-46.82	337.52	1.81	-45.01
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007974565	0	38	-1.0	-49.18	327.49	-0.71	-49.89
COC1=CC(Br)=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974566	0	34	-1.0	-46.22	320.25	1.44	-44.78
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007974567	0	34	-1.0	-48.31	309.78	1.70	-46.61
COC1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007974568	0	36	-1.0	-46.80	324.92	2.26	-44.54
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974569	0	36	-1.0	-46.17	316.16	3.06	-43.11
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974570	0	36	-1.0	-44.09	314.52	3.08	-41.01
CC1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300007974571	0	36	-1.0	-44.52	323.83	3.02	-41.50
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974572	0	39	-1.0	-45.88	312.61	3.07	-42.81
O=C([O-])C1(O)CCN(S(=O)(=O)CCCN2CCOCC2)C1	REAL300007974573	0	42	-1.0	-47.26	343.13	-1.51	-48.77
CCOC1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974574	0	37	-1.0	-47.49	321.17	1.72	-45.77
COCCN1C=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=N1	REAL300007974575	0	37	-1.0	-47.30	329.20	-0.85	-48.15
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300007974576	0	37	-1.0	-49.64	333.71	2.06	-47.58
O=C([O-])C1(O)CCN(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007974577	0	38	-1.0	-54.19	342.39	3.71	-50.48
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300007974578	0	35	-1.0	-48.10	310.58	1.88	-46.22
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300007974579	0	33	-1.0	-49.68	314.16	2.88	-46.80
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300007974580	0	33	-1.0	-49.11	309.87	2.81	-46.30
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300007974581	0	37	-1.0	-65.64	334.01	-0.61	-66.25
CC1=CC(Br)=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974582	0	33	-1.0	-45.31	312.00	2.79	-42.52
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974583	0	33	-1.0	-46.13	295.23	2.53	-43.60
COCC1=CC=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974584	0	37	-1.0	-46.46	317.23	1.74	-44.72
COC1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CC=C1Br	REAL300007974585	0	34	-1.0	-45.15	319.32	1.48	-43.67
COC1=CC(OC)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1Cl	REAL300007974586	0	38	-1.0	-49.89	338.37	1.26	-48.63
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300007974587	0	33	-1.0	-54.34	313.40	0.60	-53.74
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300007974588	0	33	-1.0	-47.23	308.52	0.39	-46.84
CC1(C)CC2=CC(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)=CC=C2O1	REAL300007974589	0	41	-1.0	-48.22	346.69	2.75	-45.47
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300007974590	0	33	-1.0	-48.28	306.60	0.63	-47.65
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974591	0	41	-1.0	-52.12	348.45	0.49	-51.63
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974592	0	42	-1.0	-53.72	373.02	0.74	-52.98
CSC1=CC=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974593	0	34	-1.0	-49.70	298.88	2.19	-47.51
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1F	REAL300007974594	0	38	-1.0	-51.00	348.79	-1.73	-52.73
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974595	0	44	-1.0	-50.83	388.51	-0.69	-51.52
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974596	0	41	-1.0	-62.44	353.01	1.34	-61.10
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1F	REAL300007974597	0	41	-1.0	-46.94	369.82	-0.82	-47.76
CCC1=CC=C(CS(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974598	0	39	-1.0	-49.16	335.76	3.70	-45.46
O=C([O-])C1(O)CCN(S(=O)(=O)CCC2=CC=CS2)C1	REAL300007974599	0	33	-1.0	-47.55	304.59	2.13	-45.42
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300007974600	0	45	-1.0	-51.16	383.15	1.95	-49.21
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300007974601	0	42	-1.0	-52.33	361.61	1.38	-50.95
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974602	0	39	-1.0	-58.42	351.58	-0.07	-58.49
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974603	0	40	-1.0	-59.40	353.84	-1.07	-60.47
CC1=CC=C(CS(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C	REAL300007974604	0	39	-1.0	-49.69	331.28	3.46	-46.23
CCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1Br	REAL300007974605	0	37	-1.0	-45.08	341.16	2.41	-42.67
COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C1=CC=CC=C1	REAL300007974606	0	44	-1.0	-50.48	378.02	4.55	-45.93
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OC(F)F)C1	REAL300007974607	0	34	-1.0	-48.04	320.13	2.15	-45.89
COC1=CC=C(Br)C(CS(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974608	0	37	-1.0	-49.56	339.13	2.13	-47.43
CC1(C)CN(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)CCO1	REAL300007974609	0	39	-1.0	-45.23	315.59	-0.26	-45.49
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=C2S1	REAL300007974610	0	44	-1.0	-47.95	382.18	3.48	-44.47
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974611	0	37	-1.0	-49.23	333.08	2.54	-46.69
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)=CC=C21	REAL300007974612	0	42	-1.0	-49.57	360.17	3.07	-46.50
CCS(=O)(=O)NCCS(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974613	0	37	-1.0	-58.67	332.78	-3.72	-62.39
CC1=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300007974614	0	36	-1.0	-45.79	321.31	2.69	-43.10
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300007974615	0	33	-1.0	-45.49	325.46	3.45	-42.04
CC1=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C2=CC(Cl)=CC=C2S1	REAL300007974616	0	36	-1.0	-45.62	335.73	4.41	-41.21
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CSC3=CC=C(Cl)C=C32)C1	REAL300007974617	0	33	-1.0	-50.21	317.69	3.23	-46.98
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300007974618	0	36	-1.0	-54.27	320.97	4.06	-50.21
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300007974619	0	36	-1.0	-47.45	330.35	3.30	-44.15
O=C([O-])C1(O)CCN(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300007974620	0	41	-1.0	-52.38	350.07	2.88	-49.50
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CCC2)C1	REAL300007974621	0	44	-1.0	-48.61	379.38	4.90	-43.71
CN1N=CN=C1COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974622	0	43	-1.0	-51.92	375.91	3.05	-48.87
O=C([O-])C1(O)CCN(S(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)C1	REAL300007974623	0	41	-1.0	-57.21	368.92	-1.40	-58.61
CC1=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C2=CC=CC(C)=C2S1	REAL300007974624	0	39	-1.0	-46.91	339.20	4.53	-42.38
CC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1N(C)C	REAL300007974625	0	41	-1.0	-47.43	344.01	2.16	-45.27
O=C([O-])C1(O)CCN(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300007974626	0	36	-1.0	-48.77	330.82	3.47	-45.30
O=C([O-])C1(O)CCN(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300007974627	0	35	-1.0	-51.61	304.70	-1.51	-53.12
O=C([O-])C1(O)CCN(S(=O)(=O)CCOCC2CCCC2)C1	REAL300007974628	0	43	-1.0	-49.00	353.66	2.01	-46.99
COC1=CC(C)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1Cl	REAL300007974629	0	37	-1.0	-48.21	322.68	1.83	-46.38
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974630	0	39	-1.0	-53.75	353.87	-0.24	-53.99
CSC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1Cl	REAL300007974631	0	34	-1.0	-48.35	325.04	2.97	-45.38
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974632	0	42	-1.0	-49.90	345.06	2.11	-47.79
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300007974633	0	38	-1.0	-47.15	340.59	0.08	-47.07
CCC1=NOC2=NC=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=C12	REAL300007974634	0	37	-1.0	-46.59	330.64	-0.78	-47.37
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN=C3ON=C(C4=CC=CC=C4)C3=C2)C1	REAL300007974635	0	41	-1.0	-47.73	365.94	1.34	-46.39
CN1N=CC2=CC(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)=CN=C21	REAL300007974636	0	35	-1.0	-48.14	313.80	0.65	-47.49
CCC1=CC(CC)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(CC)=C1	REAL300007974637	0	48	-1.0	-47.31	360.76	5.70	-41.61
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN3CCCCC3=N2)C1	REAL300007974638	0	37	-1.0	-56.51	315.62	1.54	-54.97
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)C1	REAL300007974639	0	36	-1.0	-46.19	338.05	-0.40	-46.59
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300007974640	0	39	-1.0	-55.43	334.34	5.31	-50.12
COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C)=C1F	REAL300007974641	0	37	-1.0	-48.54	310.23	1.43	-47.11
CC1(CS(=O)(=O)N2CCC(O)(C(=O)[O-])C2)CCCCC1	REAL300007974642	0	42	-1.0	-46.18	319.35	3.03	-43.15
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=CC=CC=C3OCC2)C1	REAL300007974643	0	39	-1.0	-48.02	330.30	3.01	-45.01
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)N=C2)C1	REAL300007974645	0	38	-1.0	-49.05	338.43	2.82	-46.23
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974646	0	37	-1.0	-45.87	340.99	1.76	-44.11
CC1=CC=C(CS(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(F)=C1	REAL300007974647	0	36	-1.0	-50.99	319.89	2.96	-48.03
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)S2)C1	REAL300007974649	0	30	-1.0	-43.15	302.39	1.70	-41.45
O=C([O-])C1(O)CCN(S(=O)(=O)CCC2CC3=CC=CC=C3C2)C1	REAL300007974650	0	43	-1.0	-48.02	358.16	4.83	-43.19
CC(C)(C)C1=CC(CS(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=NO1	REAL300007974651	0	41	-1.0	-50.82	351.28	2.26	-48.56
O=C([O-])C1(O)CCN(S(=O)(=O)CC2CCCS(=O)(=O)C2)C1	REAL300007974652	0	39	-1.0	-53.32	330.69	-1.32	-54.64
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)C1	REAL300007974653	0	33	-1.0	-45.89	305.99	1.97	-43.92
CC1=C(CCS(=O)(=O)N2CCC(O)(C(=O)[O-])C2)SC=N1	REAL300007974654	0	35	-1.0	-49.16	318.34	0.78	-48.38
O=C([O-])C1(O)CCN(S(=O)(=O)CC23CCC(CC2)C3)C1	REAL300007974655	0	40	-1.0	-50.56	317.77	2.93	-47.63
COC1=CC=C2C=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)CCC2=C1	REAL300007974656	0	42	-1.0	-49.69	352.94	3.24	-46.45
O=C([O-])C1(O)CCN(S(=O)(=O)CC23CCC(CC2)CC3)C1	REAL300007974657	0	43	-1.0	-47.92	326.63	3.55	-44.37
CC(C)(CCS(=O)(=O)N1CCC(O)(C(=O)[O-])C1)S(C)(=O)=O	REAL300007974658	0	41	-1.0	-58.44	342.16	-1.35	-59.79
O=C([O-])C1(O)CCN(S(=O)(=O)CC2CCCCC2(F)F)C1	REAL300007974659	0	39	-1.0	-47.54	322.55	2.69	-44.85
O=C([O-])C1(O)CCN(S(=O)(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)C1	REAL300007974660	0	37	-1.0	-47.66	319.90	3.65	-44.01
CCC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007974661	0	38	-1.0	-45.41	331.79	3.36	-42.05
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(Cl)C=C2)C1	REAL300007974662	0	30	-1.0	-44.55	286.09	2.04	-42.51
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(Br)C=C2)C1	REAL300007974663	0	30	-1.0	-44.48	290.65	2.15	-42.33
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007974664	0	32	-1.0	-45.14	297.58	2.19	-42.95
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C1	REAL300007974665	0	36	-1.0	-48.88	315.13	3.82	-45.06
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC([N+](=O)[O-])=C2)C1	REAL300007974666	0	32	-1.0	-52.37	297.62	2.18	-50.19
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974667	0	35	-1.0	-44.94	303.68	2.74	-42.20
COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974668	0	34	-1.0	-46.54	298.84	0.82	-45.72
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C1	REAL300007974669	0	32	-1.0	-57.17	288.19	3.18	-53.99
CCOC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974670	0	37	-1.0	-48.69	336.16	2.88	-45.81
CCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974671	0	37	-1.0	-46.37	320.70	1.74	-44.63
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1C	REAL300007974672	0	42	-1.0	-47.18	326.69	3.96	-43.22
CC1=CC(C)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C)=C1	REAL300007974673	0	39	-1.0	-46.74	316.76	3.65	-43.09
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974674	0	45	-1.0	-46.10	351.67	4.39	-41.71
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C1	REAL300007974675	0	33	-1.0	-45.06	308.90	2.50	-42.56
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC=C2C(F)(F)F)C1	REAL300007974676	0	33	-1.0	-49.05	297.10	3.00	-46.05
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC(Cl)=C2)C1	REAL300007974677	0	30	-1.0	-47.15	286.13	2.03	-45.12
CC(=O)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974678	0	35	-1.0	-47.19	309.82	1.91	-45.28
COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007974679	0	36	-1.0	-47.45	324.97	2.26	-45.19
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974680	0	42	-1.0	-46.54	345.56	3.84	-42.70
CC(C)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974681	0	39	-1.0	-46.48	329.58	3.45	-43.03
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974682	0	41	-1.0	-51.15	364.97	-0.48	-51.63
CCCC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974683	0	39	-1.0	-46.39	333.75	3.74	-42.65
COC1=CC=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974684	0	34	-1.0	-50.12	293.59	1.35	-48.77
COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1Br	REAL300007974685	0	34	-1.0	-48.71	319.74	1.47	-47.24
CC1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CC=C1Br	REAL300007974686	0	33	-1.0	-45.09	308.95	2.70	-42.39
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=C2)=C1	REAL300007974687	0	44	-1.0	-47.20	379.46	5.05	-42.15
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007974688	0	34	-1.0	-45.03	315.34	1.31	-43.72
CC1=C(C)C(C)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C)=C1C	REAL300007974689	0	45	-1.0	-47.83	342.41	4.50	-43.33
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3OCCCOC3=C2)C1	REAL300007974690	0	39	-1.0	-46.33	332.23	1.45	-44.88
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974691	0	46	-1.0	-50.36	369.33	3.73	-46.63
CC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007974692	0	35	-1.0	-53.32	313.68	2.70	-50.62
COC1=CC=C(Br)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974693	0	34	-1.0	-48.88	314.86	1.98	-46.90
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974694	0	48	-1.0	-47.86	370.80	5.33	-42.53
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2)C1	REAL300007974695	0	33	-1.0	-44.46	308.09	2.52	-41.94
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3CCCCC3=C2)C1	REAL300007974696	0	40	-1.0	-47.40	331.90	4.02	-43.38
COC1=CC=C(OC)C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974697	0	38	-1.0	-51.89	323.03	0.64	-51.25
COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1OC	REAL300007974698	0	38	-1.0	-49.33	328.55	0.70	-48.63
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3CCCC3=C2)C1	REAL300007974699	0	37	-1.0	-47.59	315.00	3.42	-44.17
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=CC=CC=C3CC2)C1	REAL300007974700	0	38	-1.0	-47.59	323.71	3.96	-43.63
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3OCCC3=C2)C1	REAL300007974701	0	35	-1.0	-47.30	305.37	1.37	-45.93
CC(C)CCC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974702	0	45	-1.0	-46.29	372.81	5.03	-41.26
CCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1OCC	REAL300007974703	0	44	-1.0	-47.52	371.84	2.56	-44.96
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974704	0	35	-1.0	-52.26	323.54	-3.52	-55.78
CC1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CC([N+](=O)[O-])=C1C	REAL300007974705	0	38	-1.0	-51.66	330.27	3.24	-48.42
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1C	REAL300007974706	0	38	-1.0	-49.76	322.49	3.19	-46.57
CC1=CC2=CC=CC(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)=C2N=C1	REAL300007974707	0	38	-1.0	-54.15	326.19	3.15	-51.00
COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C([N+](=O)[O-])=C1	REAL300007974708	0	36	-1.0	-52.00	317.70	2.73	-49.27
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974709	0	34	-1.0	-46.96	310.42	1.88	-45.08
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974710	0	35	-1.0	-56.54	323.65	-3.53	-60.07
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC(S(=O)(=O)NC3CC3)=C2)C1	REAL300007974711	0	42	-1.0	-55.33	378.43	-0.64	-55.97
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974712	0	38	-1.0	-51.36	337.93	2.98	-48.38
O=C([O-])C1(O)CCN(S(=O)(=O)N2CCC3=CC=CC=C3C2)C1	REAL300007974713	0	39	-1.0	-47.53	326.55	2.81	-44.72
CC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C2=CC=CN=C12	REAL300007974714	0	38	-1.0	-49.51	319.71	2.47	-47.04
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C	REAL300007974715	0	38	-1.0	-54.66	327.41	4.56	-50.10
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974716	0	41	-1.0	-55.77	364.98	-0.49	-56.26
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CNC(C(=O)N3CCCC3)=C2)C1	REAL300007974717	0	42	-1.0	-59.68	355.75	0.85	-58.83
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974718	0	36	-1.0	-58.84	330.11	-0.97	-59.81
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)C1	REAL300007974719	0	40	-1.0	-47.95	330.22	4.94	-43.01
CC1CC(C)CN(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C1	REAL300007974720	0	41	-1.0	-45.46	329.65	1.89	-43.57
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=CC=CC=C32)C1	REAL300007974721	0	36	-1.0	-51.61	304.30	3.56	-48.05
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300007974722	0	40	-1.0	-48.40	343.47	4.93	-43.47
CC1=CC=C(F)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974723	0	33	-1.0	-44.40	281.86	2.14	-42.26
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=CC=C12	REAL300007974724	0	44	-1.0	-48.41	357.95	3.38	-45.03
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=NSN=C32)C1	REAL300007974725	0	31	-1.0	-50.04	291.60	-0.06	-50.10
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974726	0	34	-1.0	-49.00	310.30	1.87	-47.13
COC1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974727	0	34	-1.0	-47.64	299.32	0.79	-46.85
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974728	0	45	-1.0	-46.55	359.78	4.31	-42.24
CC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1Cl	REAL300007974729	0	33	-1.0	-45.26	305.28	2.61	-42.65
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974730	0	40	-1.0	-47.06	338.62	2.37	-44.69
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC=CC(Cl)=C2)C1	REAL300007974731	0	33	-1.0	-49.68	309.60	2.78	-46.90
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=NON=C32)C1	REAL300007974732	0	31	-1.0	-49.20	283.87	0.31	-48.89
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C1	REAL300007974733	0	35	-1.0	-48.51	327.32	4.43	-44.08
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=CC=CN=C32)C1	REAL300007974734	0	35	-1.0	-54.24	305.31	2.49	-51.75
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)C1	REAL300007974735	0	41	-1.0	-49.63	374.87	4.91	-44.72
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974736	0	36	-1.0	-46.26	321.90	2.03	-44.23
COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1F	REAL300007974737	0	34	-1.0	-49.65	305.55	0.87	-48.78
CC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1F	REAL300007974738	0	33	-1.0	-45.35	296.54	2.20	-43.15
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)C1	REAL300007974739	0	41	-1.0	-45.88	374.58	4.90	-40.98
COC1=CC=C(OC2=CC=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=C2)C=C1	REAL300007974740	0	45	-1.0	-47.36	387.34	3.68	-43.68
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C(C)C)=C1	REAL300007974741	0	57	-1.0	-46.77	427.98	7.41	-39.36
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007974742	0	46	-1.0	-50.19	372.18	4.46	-45.73
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)C1	REAL300007974743	0	33	-1.0	-45.72	325.08	3.22	-42.50
COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007974744	0	40	-1.0	-50.64	332.62	2.91	-47.73
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974745	0	35	-1.0	-46.35	305.31	2.72	-43.63
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974746	0	35	-1.0	-51.87	299.81	2.52	-49.35
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974747	0	38	-1.0	-49.68	330.30	4.05	-45.63
CC(C)CC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974748	0	42	-1.0	-46.35	350.51	4.21	-42.14
COCCC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974749	0	40	-1.0	-46.96	345.92	2.03	-44.93
COCCN(CCOC)S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974750	0	42	-1.0	-47.62	345.95	-1.18	-48.80
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974751	0	33	-1.0	-44.22	292.19	2.59	-41.63
COC1=C(C)C=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C	REAL300007974752	0	40	-1.0	-47.29	342.77	2.42	-44.87
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974753	0	46	-1.0	-45.92	381.26	3.85	-42.07
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)C1	REAL300007974754	0	44	-1.0	-46.66	364.33	3.72	-42.94
CC(C)COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974755	0	43	-1.0	-46.02	362.30	3.24	-42.78
CCCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974756	0	40	-1.0	-46.07	342.20	2.55	-43.52
COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1Cl	REAL300007974757	0	34	-1.0	-48.74	315.35	1.35	-47.39
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OC(F)F)C(Cl)=C2)C1	REAL300007974758	0	34	-1.0	-47.99	325.10	1.62	-46.37
COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C	REAL300007974759	0	37	-1.0	-46.80	318.96	1.55	-45.25
CC1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300007974760	0	43	-1.0	-46.49	358.75	3.10	-43.39
COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C)=C1	REAL300007974761	0	37	-1.0	-47.28	306.66	1.28	-46.00
COCCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974762	0	41	-1.0	-47.86	354.33	1.02	-46.84
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC=CC=C2F)C1	REAL300007974763	0	33	-1.0	-51.21	298.48	2.28	-48.93
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974764	0	33	-1.0	-46.32	298.41	2.65	-43.67
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1C	REAL300007974765	0	38	-1.0	-50.64	316.47	3.99	-46.65
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974766	0	39	-1.0	-52.83	336.16	-0.41	-53.24
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)C1	REAL300007974767	0	42	-1.0	-51.79	377.83	-0.61	-52.40
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974768	0	38	-1.0	-51.52	345.97	-2.31	-53.83
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974769	0	38	-1.0	-52.65	330.85	-0.14	-52.79
CC1=NC(C)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)S1	REAL300007974770	0	32	-1.0	-46.34	296.97	0.02	-46.32
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CSC3=CC=CC=C23)C1	REAL300007974771	0	33	-1.0	-47.66	299.66	2.66	-45.00
COC1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CC=C1F	REAL300007974772	0	34	-1.0	-45.45	305.12	0.88	-44.57
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC(C3=CC=CC=C3)=C2)C1	REAL300007974773	0	40	-1.0	-50.43	343.60	4.92	-45.51
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300007974774	0	33	-1.0	-47.85	326.45	3.25	-44.60
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)S2)=CS1	REAL300007974775	0	36	-1.0	-48.19	348.63	2.10	-46.09
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)C1	REAL300007974776	0	50	-1.0	-45.99	403.93	5.14	-40.85
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974777	0	38	-1.0	-54.07	326.65	3.15	-50.92
CNC(=O)C1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CN1C	REAL300007974778	0	38	-1.0	-50.44	333.94	-0.84	-51.28
COC1=CC(C)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C)=C1	REAL300007974779	0	40	-1.0	-48.60	324.02	2.29	-46.31
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)C1	REAL300007974780	0	41	-1.0	-49.36	353.65	5.63	-43.73
COC1=CC(C)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C	REAL300007974781	0	40	-1.0	-47.97	326.72	2.02	-45.95
CC1=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C2=CC=CN=C2C=C1	REAL300007974782	0	38	-1.0	-49.32	317.21	2.84	-46.48
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)C1	REAL300007974783	0	35	-1.0	-53.39	300.11	1.76	-51.63
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)N1CCC(O)(C(=O)[O-])C1)=C2	REAL300007974784	0	43	-1.0	-50.73	369.27	5.35	-45.38
CCN1C=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300007974785	0	35	-1.0	-46.16	321.12	2.25	-43.91
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OCC(F)(F)F)C=C2)C1	REAL300007974786	0	37	-1.0	-46.78	340.27	2.21	-44.57
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)C1	REAL300007974787	0	44	-1.0	-47.36	380.61	4.80	-42.56
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974788	0	38	-1.0	-57.32	332.49	2.78	-54.54
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)C1	REAL300007974789	0	40	-1.0	-52.87	354.97	3.11	-49.76
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN=C3NC=CC=C23)C1	REAL300007974790	0	33	-1.0	-58.57	296.33	0.66	-57.91
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974791	0	52	-1.0	-47.58	406.35	4.48	-43.10
CS(=O)(=O)NC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974792	0	38	-1.0	-54.60	342.92	-1.77	-56.37
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC=CC(F)=C2)C1	REAL300007974793	0	33	-1.0	-50.36	299.27	2.34	-48.02
CCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C2=CC=CC=C12	REAL300007974794	0	43	-1.0	-50.22	354.47	3.83	-46.39
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974795	0	40	-1.0	-50.05	336.46	2.94	-47.11
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)C1	REAL300007974796	0	35	-1.0	-61.35	317.57	1.69	-59.66
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)C1	REAL300007974797	0	37	-1.0	-49.15	330.01	2.65	-46.50
CCOCCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974798	0	44	-1.0	-47.83	376.18	1.98	-45.85
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974799	0	46	-1.0	-45.93	385.19	4.11	-41.82
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)C1	REAL300007974800	0	40	-1.0	-47.59	326.61	4.31	-43.28
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C1	REAL300007974801	0	36	-1.0	-50.73	317.20	3.36	-47.37
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)C1	REAL300007974802	0	34	-1.0	-45.70	325.74	2.98	-42.72
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3COCC3=C2)C1	REAL300007974803	0	35	-1.0	-48.31	305.47	0.81	-47.50
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)C1	REAL300007974804	0	38	-1.0	-56.52	332.74	2.79	-53.73
O=C([O-])C1(O)CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)C1	REAL300007974805	0	36	-1.0	-54.45	308.43	-2.10	-56.55
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)C1	REAL300007974806	0	35	-1.0	-49.18	317.62	1.70	-47.48
CCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C)=C1	REAL300007974807	0	40	-1.0	-47.14	328.51	2.21	-44.93
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974808	0	38	-1.0	-55.63	346.02	-2.32	-57.95
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)C1	REAL300007974809	0	34	-1.0	-49.71	303.36	1.62	-48.09
CSC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974810	0	34	-1.0	-46.10	309.55	2.54	-43.56
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)C1	REAL300007974811	0	36	-1.0	-50.69	331.92	3.28	-47.41
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974812	0	41	-1.0	-47.30	341.28	3.38	-43.92
CCN1C=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)N=C1C	REAL300007974813	0	36	-1.0	-56.02	315.39	1.31	-54.71
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)C1	REAL300007974814	0	36	-1.0	-50.19	307.94	1.15	-49.04
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)C1	REAL300007974815	0	35	-1.0	-49.13	299.58	1.64	-47.49
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)C1	REAL300007974816	0	42	-1.0	-51.62	362.69	3.53	-48.09
CC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C(F)(F)F	REAL300007974817	0	36	-1.0	-48.20	323.83	3.03	-45.17
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)C1	REAL300007974818	0	36	-1.0	-47.88	343.06	2.21	-45.67
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)C1	REAL300007974819	0	39	-1.0	-50.88	334.02	3.14	-47.74
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=C12	REAL300007974820	0	38	-1.0	-50.05	335.72	1.25	-48.80
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974821	0	37	-1.0	-50.14	337.74	2.14	-48.00
COCC1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974822	0	37	-1.0	-48.37	324.47	1.23	-47.14
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)=C2O1	REAL300007974823	0	41	-1.0	-50.52	343.85	2.82	-47.70
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC=CC=C2Cl)C1	REAL300007974824	0	33	-1.0	-49.42	306.63	2.70	-46.72
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)C1	REAL300007974825	0	42	-1.0	-62.45	365.88	0.02	-62.43
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)C1	REAL300007974826	0	37	-1.0	-48.89	338.87	2.05	-46.84
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C1	REAL300007974827	0	38	-1.0	-51.97	330.84	2.47	-49.50
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)C1	REAL300007974828	0	33	-1.0	-51.34	319.72	3.15	-48.19
CC1CC2=CC(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)=CC=C2O1	REAL300007974829	0	38	-1.0	-48.06	326.51	2.13	-45.93
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974830	0	42	-1.0	-47.71	317.86	4.27	-43.44
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974831	0	42	-1.0	-53.77	350.41	0.06	-53.71
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C1	REAL300007974832	0	41	-1.0	-48.86	374.76	4.89	-43.97
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)C1	REAL300007974833	0	36	-1.0	-47.99	336.27	2.19	-45.80
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)C1	REAL300007974834	0	36	-1.0	-47.59	353.38	2.66	-44.93
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=C2)=CO1	REAL300007974835	0	39	-1.0	-49.89	345.76	0.59	-49.30
CN1C=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300007974836	0	33	-1.0	-48.72	297.86	0.04	-48.68
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)C1	REAL300007974837	0	33	-1.0	-48.11	299.61	1.89	-46.22
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3OCOC3=C2)C1	REAL300007974838	0	33	-1.0	-46.41	295.45	0.17	-46.24
COC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=N1	REAL300007974839	0	33	-1.0	-47.27	296.63	-1.80	-49.07
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN=C3CCCN23)C1	REAL300007974840	0	34	-1.0	-52.60	297.46	0.97	-51.63
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)C1	REAL300007974841	0	38	-1.0	-48.26	323.52	2.12	-46.14
O=C([O-])C1(O)CCN(S(=O)(=O)C2CC3=CC=CC=C3C2)C1	REAL300007974842	0	37	-1.0	-46.85	313.18	3.34	-43.51
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=N2)C=C1	REAL300007974843	0	40	-1.0	-48.96	351.41	3.33	-45.63
CC1CC2=CC(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)=CC(Cl)=C2O1	REAL300007974844	0	38	-1.0	-48.48	343.59	2.61	-45.87
CC1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CC=C1[N+](=O)[O-]	REAL300007974845	0	35	-1.0	-45.31	313.61	2.69	-42.62
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=N1	REAL300007974846	0	41	-1.0	-51.93	357.14	2.28	-49.65
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)C1	REAL300007974847	0	32	-1.0	-47.93	301.44	1.00	-46.93
CN(C)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974848	0	38	-1.0	-48.48	320.85	1.93	-46.55
CC1=CC2=CC=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=C2C=C1	REAL300007974849	0	39	-1.0	-48.75	336.48	4.48	-44.27
COC1=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)SC=C1	REAL300007974850	0	31	-1.0	-51.25	289.50	0.56	-50.69
CN(C)C1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974851	0	38	-1.0	-48.88	321.91	1.93	-46.95
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=C2OCC3)C1	REAL300007974852	0	35	-1.0	-50.46	303.10	1.39	-49.07
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)C1	REAL300007974853	0	35	-1.0	-57.34	316.03	1.60	-55.74
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3CCOC3=C2)C1	REAL300007974854	0	35	-1.0	-48.01	305.26	1.36	-46.65
O=C([O-])C1(O)CCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)C1	REAL300007974855	0	36	-1.0	-50.47	330.91	3.56	-46.91
CN1CCCC2=CC=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=C21	REAL300007974856	0	42	-1.0	-48.18	343.62	2.06	-46.12
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)C1	REAL300007974857	0	32	-1.0	-47.23	304.94	0.83	-46.40
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974858	0	38	-1.0	-56.02	322.97	2.06	-53.96
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974859	0	38	-1.0	-45.56	321.29	3.14	-42.42
CC1=CC=C(C)C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1[N+](=O)[O-]	REAL300007974860	0	38	-1.0	-58.87	324.06	4.76	-54.11
CC1=CC(C)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300007974861	0	38	-1.0	-50.73	321.45	3.18	-47.55
COC1=CC=C(CCS(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974862	0	40	-1.0	-52.00	343.68	2.34	-49.66
COC1=CN=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974863	0	33	-1.0	-48.76	293.56	-0.99	-49.75
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)S1	REAL300007974864	0	39	-1.0	-45.95	342.80	3.15	-42.80
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)C1	REAL300007974865	0	37	-1.0	-46.86	318.39	3.64	-43.22
COC1=CC(OC)=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974866	0	38	-1.0	-49.35	328.39	0.12	-49.23
O=C([O-])C1(O)CCN(S(=O)(=O)CCC2CCCCC2)C1	REAL300007974867	0	42	-1.0	-47.41	335.15	3.22	-44.19
CC1=CC=C(CCS(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974868	0	39	-1.0	-50.57	335.58	3.72	-46.85
CC1=CC2=C(C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1)OCO2	REAL300007974869	0	36	-1.0	-48.84	303.14	0.66	-48.18
O=C([O-])C1(O)CCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)C1	REAL300007974870	0	33	-1.0	-50.76	295.22	1.81	-48.95
COC1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CC=C1Cl	REAL300007974871	0	34	-1.0	-45.08	314.93	1.37	-43.71
CN1C=NC2=CC(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)=CC=C21	REAL300007974872	0	36	-1.0	-56.62	317.67	2.86	-53.76
CC1=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007974873	0	38	-1.0	-57.87	314.66	3.04	-54.83
CC1=NC2=CC=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=C2O1	REAL300007974874	0	35	-1.0	-50.05	313.05	-0.82	-50.87
CCC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1CC	REAL300007974875	0	42	-1.0	-47.79	346.47	4.08	-43.71
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974876	0	38	-1.0	-43.71	320.93	3.56	-40.15
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974877	0	40	-1.0	-53.28	326.05	3.07	-50.21
CC1=C(C)SC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974878	0	33	-1.0	-46.64	302.84	1.96	-44.68
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974879	0	31	-1.0	-43.06	286.21	-0.58	-43.64
CCC1=NC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)S1	REAL300007974880	0	32	-1.0	-46.66	299.48	0.10	-46.56
CN(C)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=N1	REAL300007974881	0	37	-1.0	-50.21	318.22	1.34	-48.87
CC1=CC(C)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)S1	REAL300007974882	0	33	-1.0	-47.52	302.10	2.02	-45.50
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)C1	REAL300007974883	0	36	-1.0	-50.32	306.58	3.06	-47.26
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=C2OCO3)C1	REAL300007974884	0	33	-1.0	-48.60	292.87	0.17	-48.43
CC1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CC(C)=C1F	REAL300007974885	0	36	-1.0	-45.22	316.22	2.87	-42.35
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)C1	REAL300007974886	0	37	-1.0	-49.46	325.46	1.27	-48.19
O=C([O-])C1(O)CCN(S(=O)(=O)CCCOCC2=CC=CC=C2)C1	REAL300007974887	0	43	-1.0	-53.19	369.70	3.10	-50.09
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C32)C1	REAL300007974888	0	34	-1.0	-53.38	300.03	1.35	-52.03
O=C([O-])C1(O)CCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)C1	REAL300007974889	0	32	-1.0	-51.60	297.68	1.18	-50.42
CC1=NC(CS(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CS1	REAL300007974890	0	32	-1.0	-48.50	299.72	-0.07	-48.57
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)C1	REAL300007974891	0	33	-1.0	-48.25	309.60	2.78	-45.47
CC1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CC=C1Cl	REAL300007974892	0	33	-1.0	-44.71	304.86	2.62	-42.09
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)C1	REAL300007974893	0	36	-1.0	-51.89	317.39	2.50	-49.39
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=C2)=N1	REAL300007974894	0	39	-1.0	-48.96	355.61	2.99	-45.97
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)C1	REAL300007974895	0	38	-1.0	-50.60	316.71	2.73	-47.87
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3CS(=O)(=O)CC3=C2)C1	REAL300007974896	0	37	-1.0	-54.13	334.55	-0.62	-54.75
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)C1	REAL300007974897	0	39	-1.0	-49.54	327.08	1.90	-47.64
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)C1	REAL300007974898	0	33	-1.0	-46.43	312.97	2.77	-43.66
CCCCCCCCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974899	0	55	-1.0	-45.88	449.69	6.45	-39.43
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974900	0	43	-1.0	-47.33	359.85	3.15	-44.18
COC(CS(=O)(=O)N1CCC(O)(C(=O)[O-])C1)C1CCCC1	REAL300007974901	0	43	-1.0	-48.32	341.94	1.92	-46.40
COC(CS(=O)(=O)N1CCC(O)(C(=O)[O-])C1)C1CCCCC1	REAL300007974902	0	46	-1.0	-48.57	364.54	2.75	-45.82
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C(F)=C2)C1	REAL300007974903	0	44	-1.0	-46.71	386.88	4.86	-41.85
CCOC(CS(=O)(=O)N1CCC(O)(C(=O)[O-])C1)C1CC1	REAL300007974904	0	40	-1.0	-51.23	332.83	1.87	-49.36
CCCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C(C)C	REAL300007974905	0	49	-1.0	-46.07	400.86	4.56	-41.51
CCC1=NC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CN1CC1CC1	REAL300007974906	0	43	-1.0	-55.60	363.97	3.30	-52.30
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN=C(C3CC3)S2)C1	REAL300007974907	0	33	-1.0	-46.76	309.53	1.02	-45.74
CC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C)=C1[N+](=O)[O-]	REAL300007974908	0	38	-1.0	-50.12	324.18	3.63	-46.49
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974909	0	37	-1.0	-46.92	315.06	1.41	-45.51
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=NN2CCC2=CC=CC=C2)C1	REAL300007974910	0	43	-1.0	-47.36	368.75	3.75	-43.61
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974911	0	33	-1.0	-44.83	309.56	0.18	-44.65
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC(SC3=CC=CC=C3)=C2)C1	REAL300007974912	0	41	-1.0	-45.93	369.99	5.61	-40.32
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)C1	REAL300007974913	0	40	-1.0	-53.24	329.14	4.68	-48.56
CCC1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C(C)C=C1OC	REAL300007974914	0	43	-1.0	-47.96	348.36	2.76	-45.20
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)F)C=C2)C1	REAL300007974915	0	36	-1.0	-44.30	340.56	3.40	-40.90
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=N1	REAL300007974916	0	32	-1.0	-53.19	294.80	0.44	-52.75
CC1=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C2=CC=CC=C2C=C1	REAL300007974917	0	39	-1.0	-50.59	322.28	4.72	-45.87
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=N1	REAL300007974918	0	39	-1.0	-45.99	338.63	0.07	-45.92
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974919	0	34	-1.0	-47.27	297.13	1.67	-45.60
CCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C(C)C	REAL300007974920	0	46	-1.0	-46.33	379.36	3.76	-42.57
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1F	REAL300007974921	0	42	-1.0	-47.77	347.62	3.77	-44.00
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300007974922	0	49	-1.0	-48.82	394.72	6.07	-42.75
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974923	0	40	-1.0	-47.40	327.64	1.54	-45.86
CN1C=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C(C)(C)C)=N1	REAL300007974924	0	42	-1.0	-45.88	341.83	1.91	-43.97
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300007974925	0	40	-1.0	-48.98	336.61	1.90	-47.08
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974926	0	33	-1.0	-43.64	298.88	0.26	-43.38
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974927	0	37	-1.0	-50.64	327.42	1.69	-48.95
C=CCCC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1	REAL300007974928	0	40	-1.0	-46.30	346.56	4.30	-42.00
CCC1=NN(C)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974929	0	36	-1.0	-49.95	307.21	0.39	-49.56
CCCCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C(C)C	REAL300007974930	0	52	-1.0	-46.20	422.78	5.33	-40.87
O=C([O-])C1(O)CCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300007974931	0	34	-1.0	-46.75	317.82	3.24	-43.51
CCCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C(C)(C)C	REAL300007974932	0	52	-1.0	-47.47	413.42	5.23	-42.24
CCCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1CC	REAL300007974933	0	46	-1.0	-46.48	384.02	4.03	-42.45
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974934	0	36	-1.0	-43.51	309.46	3.40	-40.11
CC1=CC(Br)=CC=C1CS(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974935	0	36	-1.0	-45.79	328.80	3.51	-42.28
O=C([O-])C1(O)CCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300007974936	0	34	-1.0	-50.46	315.14	3.15	-47.31
CCCC1=CC=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974937	0	39	-1.0	-47.53	323.71	4.16	-43.37
COC1=NC=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974938	0	33	-1.0	-49.09	290.69	-1.22	-50.31
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974939	0	46	-1.0	-50.75	383.72	4.31	-46.44
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300007974940	0	35	-1.0	-56.26	300.04	1.70	-54.56
CC1=CSC(C)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974941	0	33	-1.0	-46.22	291.92	2.24	-43.98
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300007974942	0	37	-1.0	-46.68	319.31	1.20	-45.48
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300007974943	0	37	-1.0	-46.42	316.54	1.42	-45.00
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300007974944	0	40	-1.0	-46.20	336.44	1.96	-44.24
CC1(C)COC2=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=NN2C1	REAL300007974945	0	41	-1.0	-52.01	343.89	-0.44	-52.45
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300007974946	0	36	-1.0	-48.49	336.31	2.44	-46.05
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300007974947	0	37	-1.0	-50.83	313.82	1.56	-49.27
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C(C)C	REAL300007974948	0	55	-1.0	-46.19	444.28	6.11	-40.08
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1C	REAL300007974949	0	46	-1.0	-47.96	364.94	3.15	-44.81
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974950	0	40	-1.0	-49.00	339.80	2.97	-46.03
CC1CC2=CC=CC(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)=C2O1	REAL300007974951	0	38	-1.0	-50.54	324.03	2.15	-48.39
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)S1	REAL300007974952	0	38	-1.0	-46.53	337.85	1.21	-45.32
O=C([O-])C1(O)CCN(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300007974953	0	36	-1.0	-50.77	322.86	2.17	-48.60
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974954	0	35	-1.0	-58.20	309.86	1.16	-57.04
O=C([O-])C1(O)CCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300007974955	0	39	-1.0	-46.29	314.91	1.52	-44.77
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CNC3=CC(Br)=CC=C32)C1	REAL300007974956	0	34	-1.0	-48.58	320.58	1.97	-46.61
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300007974957	0	31	-1.0	-43.29	284.28	0.32	-42.97
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300007974958	0	33	-1.0	-47.42	308.66	2.94	-44.48
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974959	0	37	-1.0	-46.36	321.09	1.21	-45.15
CC1=CC(C)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C)=C1F	REAL300007974960	0	39	-1.0	-44.66	317.79	3.56	-41.10
COC1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1OC	REAL300007974961	0	38	-1.0	-49.47	320.23	1.41	-48.06
O=C([O-])C1(O)CCN(S(=O)(=O)C2=COC3=CC=CC=C23)C1	REAL300007974962	0	33	-1.0	-48.77	296.04	1.65	-47.12
CN1C=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C2CCCC2)=N1	REAL300007974963	0	43	-1.0	-49.79	348.91	2.15	-47.64
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974964	0	42	-1.0	-50.17	348.36	2.15	-48.02
CCCCN1C=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C)=N1	REAL300007974965	0	42	-1.0	-48.64	351.71	2.12	-46.52
CN1C=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C2CC2)=N1	REAL300007974966	0	37	-1.0	-49.31	318.95	1.17	-48.14
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300007974967	0	34	-1.0	-49.46	308.60	1.10	-48.36
CN1N=NC2=C(S(=O)(=O)N3CCC(O)(C(=O)[O-])C3)C=CC=C21	REAL300007974968	0	35	-1.0	-55.39	311.56	-0.00	-55.39
CC1=CC(C)=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=C1Br	REAL300007974969	0	36	-1.0	-44.36	314.93	3.24	-41.12
CC1(C)CCCN(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C1	REAL300007974970	0	41	-1.0	-45.20	318.20	1.81	-43.39
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300007974971	0	36	-1.0	-48.18	337.25	2.67	-45.51
CN1C=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C2CCC2)=N1	REAL300007974972	0	40	-1.0	-48.97	332.41	1.62	-47.35
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974973	0	48	-1.0	-47.73	375.62	5.03	-42.70
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300007974974	0	36	-1.0	-48.17	340.62	3.39	-44.78
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300007974975	0	40	-1.0	-47.07	343.41	2.18	-44.89
O=C([O-])C1(O)CCN(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300007974976	0	34	-1.0	-47.96	306.83	2.69	-45.27
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300007974977	0	41	-1.0	-48.49	363.87	4.38	-44.11
COC1=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C2=NC=CC=C2C=C1	REAL300007974978	0	39	-1.0	-61.72	334.61	2.75	-58.97
CCCC1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974979	0	39	-1.0	-47.27	333.80	3.72	-43.55
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974980	0	37	-1.0	-47.71	313.29	0.95	-46.76
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974981	0	39	-1.0	-45.95	309.82	1.01	-44.94
CC(C)(C)N1C=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=N1	REAL300007974982	0	39	-1.0	-47.39	333.95	1.25	-46.14
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300007974983	0	37	-1.0	-47.65	312.75	0.44	-47.21
CC1=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=CN=C1C(F)(F)F	REAL300007974984	0	35	-1.0	-44.18	320.83	1.32	-42.86
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300007974985	0	33	-1.0	-44.49	314.44	2.58	-41.91
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974986	0	41	-1.0	-57.08	353.99	3.54	-53.54
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300007974987	0	41	-1.0	-47.34	337.91	4.62	-42.72
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300007974988	0	36	-1.0	-45.62	331.80	2.55	-43.07
O=C([O-])C1(O)CCN(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300007974989	0	36	-1.0	-46.69	312.23	1.94	-44.75
O=C([O-])C1(O)CCN(S(=O)(=O)CC2=NOC3=C2COCC3)C1	REAL300007974990	0	37	-1.0	-50.46	322.16	-0.11	-50.57
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300007974991	0	30	-1.0	-45.61	292.39	1.77	-43.84
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300007974992	0	37	-1.0	-48.68	318.20	3.64	-45.04
COC1=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C=CS1	REAL300007974993	0	31	-1.0	-50.07	290.36	-0.00	-50.07
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300007974994	0	40	-1.0	-45.71	333.96	2.13	-43.58
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974995	0	39	-1.0	-45.96	329.37	1.41	-44.55
CN(C1CCCCCC1)S(=O)(=O)N1CCC(O)(C(=O)[O-])C1	REAL300007974996	0	44	-1.0	-48.45	337.93	2.49	-45.96
CN1C=C(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300007974997	0	44	-1.0	-48.40	360.72	0.43	-47.97
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC(O)(C(=O)[O-])C2)=C1	REAL300007974998	0	36	-1.0	-47.15	322.61	3.04	-44.11
O=C([O-])C1(O)CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300007974999	0	34	-1.0	-47.98	309.09	1.07	-46.91
O=C([O-])C1(O)CCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300007975000	0	45	-1.0	-45.41	364.90	4.18	-41.23
COC1=CC=C(F)C=C1S(=O)(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-]	REAL300007979950	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-]	REAL300007979951	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	REAL300007979952	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	REAL300007979953	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	REAL300007979954	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-]	REAL300007979955	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	REAL300007979956	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-]	REAL300007979957	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-]	REAL300007979958	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	REAL300007979959	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-]	REAL300007979960	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	REAL300007979961	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	REAL300007979962	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	REAL300007979963	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	REAL300007979964	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-]	REAL300007979965	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-]	REAL300007979966	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-]	REAL300007979967	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	REAL300007979968	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-]	REAL300007979969	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	REAL300007979970	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	REAL300007979971	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	REAL300007979972	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	REAL300007979973	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	REAL300007979974	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	REAL300007979975	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	REAL300007979976	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	REAL300007979977	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	REAL300007979978	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-]	REAL300007979979	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-]	REAL300007979980	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	REAL300007979981	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	REAL300007979982	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	REAL300007979983	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	REAL300007979984	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	REAL300007979985	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	REAL300007979986	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	REAL300007979987	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-]	REAL300007979988	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	REAL300007979989	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	REAL300007979990	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-]	REAL300007979991	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	REAL300007979992	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	REAL300007979993	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	REAL300007979994	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	REAL300007979995	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	REAL300007979996	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	REAL300007979997	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-]	REAL300007979998	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	REAL300007979999	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	REAL300007980000	0	36	-1.0	-54.42	333.59	5.97	-48.45
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(F)=CC=C2OC)C1	REAL300007980521	0	34	-1.0	-64.23	299.86	5.40	-58.83
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(F)=CC=C2OCCOC)C1	REAL300007980522	0	41	-1.0	-65.73	344.19	5.72	-60.01
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(S(=O)(=O)NC)C(C)=C2)C1	REAL300007980523	0	41	-1.0	-49.32	357.12	1.68	-47.64
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCC3(CCCCC3)CC2)C1	REAL300007980524	0	48	-1.0	-58.29	356.98	6.98	-51.31
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC3=CC=C(C)N=C32)C1	REAL300007980525	0	38	-1.0	-69.76	326.67	6.94	-62.82
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])C1	REAL300007980526	0	38	-1.0	-72.90	334.13	7.31	-65.59
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C3CCOCC3)N=C2)C1	REAL300007980527	0	41	-1.0	-46.06	339.67	2.92	-43.14
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Cl)=CC=C2OCCCOC)C1	REAL300007980528	0	44	-1.0	-65.31	384.79	6.58	-58.73
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Cl)=CC=C2OC(C)COC)C1	REAL300007980529	0	44	-1.0	-64.91	379.48	6.76	-58.15
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC(C)COC2CCCC2)C1	REAL300007980530	0	46	-1.0	-45.51	366.65	6.05	-39.46
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(OC)=CC(C(F)(F)F)=C2)C1	REAL300007980531	0	37	-1.0	-48.24	334.35	4.89	-43.35
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C3CCOC3)N=C2)C1	REAL300007980532	0	38	-1.0	-49.19	321.07	2.13	-47.06
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Br)=CC(OC)=C2)C1	REAL300007980533	0	34	-1.0	-47.20	312.79	4.40	-42.80
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(F)=CC=C2OC(F)F)C1	REAL300007980534	0	34	-1.0	-60.61	307.98	5.64	-54.97
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C([N+](=O)[O-])C(OC)=C2)C1	REAL300007980535	0	36	-1.0	-43.42	317.52	5.22	-38.20
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C(F)(F)F)C=C2C)C1	REAL300007980536	0	36	-1.0	-56.12	315.33	6.95	-49.17
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(F)(F)F)=CC=C2C)C1	REAL300007980537	0	36	-1.0	-60.93	314.12	6.98	-53.95
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C(F)(F)F)C(C)=C2)C1	REAL300007980538	0	36	-1.0	-45.29	320.21	6.10	-39.19
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2C(C)C)C1	REAL300007980539	0	39	-1.0	-50.39	312.79	6.24	-44.15
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(OCC)=C2)C1	REAL300007980540	0	37	-1.0	-46.92	313.34	4.70	-42.22
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(CCOC)N=C2)C1	REAL300007980541	0	37	-1.0	-50.50	322.26	1.97	-48.53
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OCC(F)F)C=C2)C1	REAL300007980542	0	37	-1.0	-48.26	326.35	5.02	-43.24
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)N(CCCCCCCC)N=C2C)C1	REAL300007980543	0	57	-1.0	-52.05	446.32	8.88	-43.17
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)C1	REAL300007980544	0	38	-1.0	-62.93	342.80	7.57	-55.36
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC3=CC=CC=C3N=C2)C1	REAL300007980545	0	35	-1.0	-49.76	306.95	4.94	-44.82
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2=CC=CC(Br)=C2)C1	REAL300007980546	0	33	-1.0	-61.57	314.36	6.74	-54.83
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2=CC=CC=C2Br)C1	REAL300007980547	0	33	-1.0	-62.09	308.69	6.78	-55.31
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)C1	REAL300007980548	0	37	-1.0	-71.35	326.63	2.35	-69.00
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C)=CC(Br)=C2)C1	REAL300007980549	0	33	-1.0	-49.27	308.51	5.85	-43.42
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(Br)=C2C)C1	REAL300007980550	0	33	-1.0	-56.83	294.60	6.45	-50.38
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2COC)C1	REAL300007980551	0	37	-1.0	-61.08	317.54	5.62	-55.46
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(Br)C(OC)=C2)C1	REAL300007980552	0	34	-1.0	-46.46	315.68	4.55	-41.91
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Cl)=C(OC)C=C2OC)C1	REAL300007980553	0	38	-1.0	-63.68	338.81	5.19	-58.49
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(CC(F)(F)F)N=C2)C1	REAL300007980554	0	33	-1.0	-52.56	306.50	3.44	-49.12
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(CC(F)F)N=C2)C1	REAL300007980555	0	33	-1.0	-49.47	301.59	3.22	-46.25
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C3OC(C)(C)CC3=C2)C1	REAL300007980556	0	41	-1.0	-50.03	343.19	5.83	-44.20
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC3=C2OC(F)(F)O3)C1	REAL300007980557	0	33	-1.0	-59.08	305.89	4.40	-54.68
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(S(=O)(=O)CCC)C=C2)C1	REAL300007980558	0	42	-1.0	-62.26	372.12	4.63	-57.63
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2SC)C1	REAL300007980559	0	34	-1.0	-64.25	297.69	6.13	-58.12
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(NS(C)(=O)=O)C(F)=C2)C1	REAL300007980560	0	38	-1.0	-50.67	340.94	1.25	-49.42
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(C)C)C1	REAL300007980561	0	41	-1.0	-83.20	354.19	5.16	-78.04
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(NS(=O)(=O)CC)C(F)=C2)C1	REAL300007980562	0	41	-1.0	-49.64	362.39	2.14	-47.50
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2=CC=C(CC)C=C2)C1	REAL300007980563	0	39	-1.0	-61.96	334.79	7.67	-54.29
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCC2=CC=CS2)C1	REAL300007980564	0	33	-1.0	-59.95	305.54	5.88	-54.07
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)C1	REAL300007980565	0	45	-1.0	-52.69	375.74	4.92	-47.77
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2S(=O)(=O)NC2CC2)C1	REAL300007980566	0	42	-1.0	-70.51	363.44	5.15	-65.36
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(S(=O)(=O)CC)=C2)C1	REAL300007980567	0	39	-1.0	-52.05	344.16	2.90	-49.15
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(S(C)(=O)=O)=CC=C2OC)C1	REAL300007980568	0	40	-1.0	-73.09	354.47	2.54	-70.55
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2=CC=C(C)C(C)=C2)C1	REAL300007980569	0	39	-1.0	-64.19	331.51	7.33	-56.86
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C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)C3=CC(F)=CC=C3O2)C1	REAL300007980580	0	36	-1.0	-57.97	326.90	6.42	-51.55
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)C1	REAL300007980581	0	33	-1.0	-56.84	326.12	7.07	-49.77
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C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)C1	REAL300007980584	0	36	-1.0	-68.41	320.42	7.87	-60.54
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(CC(F)(F)F)C=C2)C1	REAL300007980585	0	36	-1.0	-47.34	323.01	6.27	-41.07
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCC2=CC=C3OCCC3=C2)C1	REAL300007980586	0	41	-1.0	-62.91	350.48	6.75	-56.16
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C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)SC3=C(C)C=CC=C32)C1	REAL300007980590	0	39	-1.0	-52.11	331.79	7.43	-44.68
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C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCC2=CC=CC=C2Br)C1	REAL300007980592	0	36	-1.0	-63.33	331.79	7.38	-55.95
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C3OCCCN3N=C2)C1	REAL300007980593	0	35	-1.0	-65.10	303.90	2.31	-62.79
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCOCC2CCCC2)C1	REAL300007980594	0	43	-1.0	-58.60	354.06	5.87	-52.73
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Cl)=C(OC)C=C2C)C1	REAL300007980595	0	37	-1.0	-61.57	321.84	5.80	-55.77
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2=CC=CC(S(C)(=O)=O)=C2)C1	REAL300007980596	0	39	-1.0	-73.90	353.79	3.63	-70.27
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(SC)C(Cl)=C2)C1	REAL300007980597	0	34	-1.0	-49.28	317.20	5.95	-43.33
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C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN=C3ON=C(C4CC4)C3=C2)C1	REAL300007980599	0	38	-1.0	-51.66	336.95	3.06	-48.60
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C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN=C3C(=C2)C=NN3C)C1	REAL300007980602	0	35	-1.0	-52.24	310.06	3.61	-48.63
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC3=CC=C(Br)C=C3C=C2)C1	REAL300007980603	0	36	-1.0	-47.11	329.15	7.36	-39.75
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C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)C1	REAL300007980607	0	39	-1.0	-69.07	335.66	9.33	-59.74
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C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2(C)CCCCC2)C1	REAL300007980609	0	42	-1.0	-62.35	319.25	6.85	-55.50
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C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])C1	REAL300007980853	0	32	-1.0	-54.06	291.28	3.81	-50.25
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)C=CC3=CC=CC=C32)C1	REAL300007980854	0	39	-1.0	-53.35	313.41	7.45	-45.90
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OC(C)C)N=C2)C1	REAL300007980855	0	39	-1.0	-46.32	334.93	3.12	-43.20
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(F)=C2OC)C1	REAL300007980856	0	34	-1.0	-48.20	298.28	4.80	-43.40
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OCC)C(C(C)C)=C2)C1	REAL300007980857	0	46	-1.0	-48.55	371.38	6.71	-41.84
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C(C)(C)C)C(F)=C2)C1	REAL300007980858	0	42	-1.0	-50.57	340.22	6.73	-43.84
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2=CC=C(C3CCCCC3)C=C2)C1	REAL300007980859	0	49	-1.0	-61.75	393.73	10.03	-51.72
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C3CCCCC3=NN2C)C1	REAL300007980860	0	40	-1.0	-49.84	321.01	4.46	-45.38
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C)N=C2C(C)(C)C)C1	REAL300007980861	0	42	-1.0	-50.61	335.30	4.83	-45.78
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C3CCCC3)N=C2)C1	REAL300007980862	0	40	-1.0	-47.35	333.71	4.87	-42.48
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C(F)(F)F)C=NN2C)C1	REAL300007980863	0	33	-1.0	-40.60	287.10	3.42	-37.18
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2=CC(F)=CC=C2OC)C1	REAL300007980864	0	37	-1.0	-52.61	324.40	4.81	-47.80
C=CCCC1=CC=C(S(=O)(=O)N2CC(=C)C[C@H]2C(=O)[O-])C=C1	REAL300007980865	0	40	-1.0	-47.45	339.20	7.26	-40.19
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OCCCC)C(C(C)C)=C2)C1	REAL300007980866	0	52	-1.0	-47.97	414.37	8.29	-39.68
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)C1	REAL300007980867	0	34	-1.0	-57.74	317.10	7.12	-50.62
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OCCC)C(C(C)(C)C)=C2)C1	REAL300007980868	0	52	-1.0	-49.26	405.99	8.20	-41.06
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OCCC)C(CC)=C2)C1	REAL300007980869	0	46	-1.0	-48.84	376.58	6.99	-41.85
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)C=C(Cl)C=C2C)C1	REAL300007980870	0	36	-1.0	-43.59	302.68	6.40	-37.19
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2=CC=C(Br)C=C2C)C1	REAL300007980871	0	36	-1.0	-60.85	328.94	7.35	-53.50
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C=CC2=CC=CC=C2Cl)C1	REAL300007980872	0	34	-1.0	-50.34	314.00	6.31	-44.03
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2CCC)C1	REAL300007980873	0	39	-1.0	-63.71	322.20	7.83	-55.88
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)N(CC3=CC=CC=C3)N=C2C)C1	REAL300007980874	0	46	-1.0	-53.51	376.83	7.22	-46.29
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC3=CC=NC=C32)C1	REAL300007980875	0	35	-1.0	-68.98	299.01	5.55	-63.43
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)SC=C2C)C1	REAL300007980876	0	33	-1.0	-44.48	281.13	4.96	-39.52
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C3CCC3)N=C2)C1	REAL300007980877	0	37	-1.0	-53.57	316.07	4.17	-49.40
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=NN2C2CCC2)C1	REAL300007980878	0	37	-1.0	-58.98	319.33	5.10	-53.88
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=NN2CC2CCC2)C1	REAL300007980879	0	40	-1.0	-57.70	334.18	5.99	-51.71
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C3OCC(C)(C)CN3N=C2)C1	REAL300007980880	0	41	-1.0	-64.49	342.01	3.42	-61.07
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)C1	REAL300007980881	0	36	-1.0	-58.01	335.31	6.35	-51.66
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN=C3CCCCN23)C1	REAL300007980882	0	37	-1.0	-55.06	304.11	4.46	-50.60
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OCCCCC)C(C(C)C)=C2)C1	REAL300007980883	0	55	-1.0	-47.96	435.87	9.07	-38.89
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C)=C(OC)C=C2C(C)C)C1	REAL300007980884	0	46	-1.0	-60.62	364.53	6.99	-53.63
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(F)=CC=C2OC(C)C)C1	REAL300007980885	0	40	-1.0	-63.61	338.00	6.91	-56.70
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OCCOCC)C(C(C)C)=C2)C1	REAL300007980886	0	53	-1.0	-53.73	431.20	7.06	-46.67
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC3=C2OC(C)C3)C1	REAL300007980887	0	38	-1.0	-65.78	323.03	6.04	-59.74
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN=C(C(C)(C)C)S2)C1	REAL300007980888	0	38	-1.0	-45.05	330.42	4.19	-40.86
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)C1	REAL300007980889	0	36	-1.0	-63.87	324.11	5.76	-58.11
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C3N=CC=CN3N=C2C)C1	REAL300007980890	0	35	-1.0	-71.93	308.41	4.87	-67.06
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)C1	REAL300007980891	0	39	-1.0	-60.54	314.97	5.30	-55.24
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC3=NON=C3C=C2)C1	REAL300007980892	0	31	-1.0	-41.31	280.43	3.36	-37.95
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC3=CC=CC=C3S2)C1	REAL300007980893	0	33	-1.0	-58.74	307.30	6.87	-51.87
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C3CC3)=NN2C)C1	REAL300007980894	0	37	-1.0	-55.62	318.82	4.98	-50.64
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)C=C(C)C(F)=C2C)C1	REAL300007980895	0	39	-1.0	-55.63	319.17	7.16	-48.47
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(OC)=C2OC)C1	REAL300007980896	0	38	-1.0	-62.69	322.47	5.11	-57.58
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=COC3=CC=CC=C23)C1	REAL300007980897	0	33	-1.0	-59.14	293.98	5.58	-53.56
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C)N=C2C2CCCC2)C1	REAL300007980898	0	43	-1.0	-62.00	350.28	6.02	-55.98
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)N(C(C)C)N=C2C)C1	REAL300007980899	0	42	-1.0	-52.01	335.44	4.85	-47.16
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(CCCC)N=C2C)C1	REAL300007980900	0	42	-1.0	-57.27	351.49	5.97	-51.30
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C)N=C2C2CC2)C1	REAL300007980901	0	37	-1.0	-51.29	317.83	4.25	-47.04
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)C1	REAL300007980902	0	34	-1.0	-51.04	301.23	4.06	-46.98
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C3N=NN(C)C3=CC=C2)C1	REAL300007980903	0	35	-1.0	-68.30	310.46	3.85	-64.45
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Br)=C(C)C=C2C)C1	REAL300007980904	0	36	-1.0	-49.21	314.73	6.29	-42.92
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCCC(C)(C)C2)C1	REAL300007980905	0	41	-1.0	-48.03	318.67	5.07	-42.96
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC3=CC(F)=CC(Cl)=C3OC2)C1	REAL300007980906	0	36	-1.0	-42.71	332.66	5.69	-37.02
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C)N=C2C2CCC2)C1	REAL300007980907	0	40	-1.0	-59.32	332.21	5.56	-53.76
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C(C)C)=CC=C2C(C)C)C1	REAL300007980908	0	48	-1.0	-51.40	372.25	8.13	-43.27
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300007980909	0	36	-1.0	-45.96	329.27	6.26	-39.70
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(CC3CCC3)N=C2)C1	REAL300007980910	0	40	-1.0	-53.79	340.15	5.14	-48.65
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C3CC3)C=CS2)C1	REAL300007980911	0	34	-1.0	-63.66	308.23	6.53	-57.13
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Cl)=CC=C2OCC2CC2)C1	REAL300007980912	0	41	-1.0	-52.22	362.33	7.57	-44.65
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(OC)C=CC3=CC=CN=C32)C1	REAL300007980913	0	39	-1.0	-78.79	333.91	6.61	-72.18
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(CCC)=C2)C1	REAL300007980914	0	39	-1.0	-47.40	326.39	6.69	-40.71
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C3CCCC3=NN2C)C1	REAL300007980915	0	37	-1.0	-57.33	315.40	4.65	-52.68
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=NN2C(C)(C)C)C1	REAL300007980916	0	39	-1.0	-47.87	313.46	4.32	-43.55
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C(C)(C)C)N=C2)C1	REAL300007980917	0	39	-1.0	-47.71	330.73	4.23	-43.48
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CNN=C2C2CCC2)C1	REAL300007980918	0	37	-1.0	-57.55	308.87	4.25	-53.30
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN=C(C(F)(F)F)C(C)=C2)C1	REAL300007980919	0	35	-1.0	-42.04	316.75	4.40	-37.64
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)C1	REAL300007980920	0	33	-1.0	-43.62	310.94	5.65	-37.97
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(C(=O)CCC)=C2)C1	REAL300007980921	0	41	-1.0	-61.55	346.58	6.51	-55.04
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)C1	REAL300007980922	0	41	-1.0	-51.14	333.89	7.57	-43.57
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC3=CC(Cl)=CC=C3OC2)C1	REAL300007980923	0	36	-1.0	-46.11	326.85	5.59	-40.52
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CC3=CC=CC=C3C2)C1	REAL300007980924	0	36	-1.0	-57.68	310.87	5.86	-51.82
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C(F)(F)C(F)(F)OC)C=C2)C1	REAL300007980925	0	40	-1.0	-45.40	358.21	5.25	-40.15
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CSC=C2C(F)(F)F)C1	REAL300007980926	0	30	-1.0	-47.91	284.90	4.76	-43.15
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(C3CC3)=C2)C1	REAL300007980927	0	37	-1.0	-60.94	317.69	7.53	-53.41
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(OC)SC=C2)C1	REAL300007980928	0	31	-1.0	-62.95	288.27	3.95	-59.00
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=NN2C2CCCC2)C1	REAL300007980929	0	40	-1.0	-55.15	333.19	6.04	-49.11
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=NN2C(C)CC)C1	REAL300007980930	0	39	-1.0	-49.23	327.26	4.47	-44.76
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N(C)C2CCCCCC2)C1	REAL300007980931	0	44	-1.0	-57.75	338.22	6.36	-51.39
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C)N=C2C2CCOCC2)C1	REAL300007980932	0	44	-1.0	-61.34	361.32	4.30	-57.04
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(C(C)(F)F)=C2)C1	REAL300007980933	0	36	-1.0	-47.29	315.23	6.01	-41.28
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)C1	REAL300007980934	0	34	-1.0	-47.55	301.25	4.06	-43.49
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)C1	REAL300007980935	0	45	-1.0	-60.05	365.96	7.79	-52.26
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OC)S2)C1	REAL300007980936	0	31	-1.0	-57.00	292.25	3.89	-53.11
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)C=C(C)C3=CC=CN=C32)C1	REAL300007980937	0	41	-1.0	-62.68	332.87	6.79	-55.89
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCC(C(F)(F)F)CC2)C1	REAL300007980938	0	38	-1.0	-57.81	325.63	5.40	-52.41
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(CCF)N=C2)C1	REAL300007980939	0	33	-1.0	-49.63	295.18	3.06	-46.57
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(COCC)=C2)C1	REAL300007980940	0	40	-1.0	-47.97	338.92	5.17	-42.80
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C3=CC=CC=C3)=NN2C)C1	REAL300007980941	0	40	-1.0	-51.33	342.25	5.65	-45.68
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)C1	REAL300007980942	0	43	-1.0	-46.01	348.97	5.33	-40.68
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OC3=CC=CC=C3)C=C2)C1	REAL300007980943	0	41	-1.0	-58.51	358.86	8.33	-50.18
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C)=C(Br)C(C)=C2)C1	REAL300007980944	0	36	-1.0	-47.39	323.50	6.32	-41.07
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C)C3=CC=CC=C32)C1	REAL300007980945	0	39	-1.0	-66.00	321.45	7.91	-58.09
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C)N=C2C2=CC=CC=C2)C1	REAL300007980946	0	40	-1.0	-60.45	340.37	6.60	-53.85
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C=CC2=CC=C(F)C=C2)C1	REAL300007980947	0	34	-1.0	-57.30	308.80	6.38	-50.92
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C=CC2=CC=CC(Br)=C2)C1	REAL300007980948	0	34	-1.0	-57.67	321.67	7.22	-50.45
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C=CC2=CC=C(Br)C=C2)C1	REAL300007980949	0	34	-1.0	-56.78	323.68	6.94	-49.84
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCC2NC(=O)NC2=O)C1	REAL300007980950	0	35	-1.0	-69.36	312.55	-0.64	-70.00
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN=C3C=CC=CN23)C1	REAL300007980951	0	33	-1.0	-59.11	293.96	5.81	-53.30
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2CCC(F)(F)CC2)C1	REAL300007980952	0	36	-1.0	-61.58	302.71	5.76	-55.82
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C3SC=NC3=C2)C1	REAL300007980953	0	32	-1.0	-48.57	296.66	3.98	-44.59
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCOC2CCOC2)C1	REAL300007980954	0	38	-1.0	-58.57	322.96	2.71	-55.86
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C3=CC=CC=C3)OC(C)=N2)C1	REAL300007980955	0	39	-1.0	-57.86	343.19	4.48	-53.38
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)C1	REAL300007980956	0	47	-1.0	-64.11	347.01	8.16	-55.95
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2CC(C)(C)CO2)C1	REAL300007980957	0	40	-1.0	-51.36	326.84	3.86	-47.50
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2CS(=O)(=O)C2)C1	REAL300007980958	0	33	-1.0	-67.55	299.14	1.18	-66.37
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC(C)(C)C(C)(F)F)C1	REAL300007980959	0	38	-1.0	-50.69	305.18	5.12	-45.57
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CCCCS(C)(=O)=O)C1	REAL300007980960	0	38	-1.0	-70.85	339.85	2.21	-68.64
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2CCC(C)(C)CO2)C1	REAL300007980961	0	43	-1.0	-64.03	344.56	5.39	-58.64
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2=CC=CC3=NSN=C32)C1	REAL300007980962	0	34	-1.0	-50.45	314.02	3.72	-46.73
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C[C@H]2[C@H](C3=CC=CC=C3)C2(F)F)C1	REAL300007980963	0	40	-1.0	-65.96	352.00	8.16	-57.80
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)C1	REAL300007980964	0	39	-1.0	-64.58	322.71	2.97	-61.61
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)C1	REAL300007980965	0	43	-1.0	-60.95	335.91	7.51	-53.44
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(C3CC3)S2)C1	REAL300007980966	0	34	-1.0	-58.82	314.28	6.46	-52.36
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C3C(=C2)C(C)(C)CCC3(C)C)C1	REAL300007980967	0	52	-1.0	-59.79	398.11	9.60	-50.19
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C(C)=CC2=CC=C(OC)C=C2)C1	REAL300007980968	0	41	-1.0	-59.15	344.93	6.49	-52.66
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(OC)C(OC)=CS2)C1	REAL300007980969	0	35	-1.0	-64.10	323.48	3.22	-60.88
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)C1	REAL300007980970	0	42	-1.0	-59.35	330.40	5.61	-53.74
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N(C)CCC2=CC=CC=C2)C1	REAL300007980971	0	41	-1.0	-62.13	350.42	7.15	-54.98
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(Cl)=C2OC(F)F)C1	REAL300007980972	0	34	-1.0	-65.59	317.35	6.13	-59.46
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(F)C=C(OC)C=C2F)C1	REAL300007980973	0	34	-1.0	-62.17	306.44	4.99	-57.18
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)C1	REAL300007980974	0	34	-1.0	-51.13	309.63	4.20	-46.93
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C3C=CC=CC3=NN2C)C1	REAL300007980975	0	36	-1.0	-56.12	313.96	5.08	-51.04
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C3C(=C2)C=CN3C)C1	REAL300007980976	0	37	-1.0	-57.67	319.33	6.36	-51.31
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Cl)=C3OCCCOC3=C2)C1	REAL300007980977	0	39	-1.0	-47.86	344.62	5.07	-42.79
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)N(C3=CC=CC=C3)N=C2C)C1	REAL300007980978	0	43	-1.0	-54.87	352.62	6.72	-48.15
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)C1	REAL300007980979	0	41	-1.0	-54.87	350.69	7.32	-47.55
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2C(C)(F)F)C1	REAL300007980980	0	36	-1.0	-73.77	310.42	7.10	-66.67
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(Cl)C3=NSN=C32)C1	REAL300007980981	0	31	-1.0	-57.91	306.51	4.35	-53.56
C=C(C)COC1=CC=CC(S(=O)(=O)N2CC(=C)C[C@H]2C(=O)[O-])=C1	REAL300007980982	0	41	-1.0	-46.95	345.67	6.10	-40.85
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(CC)N=C2C2CC2)C1	REAL300007980983	0	40	-1.0	-59.04	340.45	6.00	-53.04
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C(C)C=CC3=NSN=C32)C1	REAL300007980984	0	34	-1.0	-58.91	298.70	3.67	-55.24
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1	REAL300007980985	0	36	-1.0	-47.44	324.57	7.26	-40.18
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Cl)=CC(C3=CC=CC=C3)=C2)C1	REAL300007980986	0	40	-1.0	-47.55	352.96	8.41	-39.14
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)C1	REAL300007980987	0	29	-1.0	-54.01	296.11	3.38	-50.63
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(Br)C(CC)=C2)C1	REAL300007980988	0	36	-1.0	-44.81	321.08	6.35	-38.46
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(C)=NN2C2CCCC2)C1	REAL300007980989	0	43	-1.0	-59.30	358.75	6.41	-52.89
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Cl)=CS2)C1	REAL300007980990	0	27	-1.0	-40.56	270.50	4.04	-36.52
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(CCOC)=CC=C2OC)C1	REAL300007980991	0	44	-1.0	-66.19	368.42	5.82	-60.37
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)C1	REAL300007980992	0	36	-1.0	-60.17	320.54	8.02	-52.15
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=C3COCCC3=NN2C)C1	REAL300007980993	0	38	-1.0	-53.28	317.94	3.12	-50.16
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=CC=C2C2CC2)C1	REAL300007980994	0	37	-1.0	-52.18	299.51	6.28	-45.90
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)N2CCC(C)(C)CC2)C1	REAL300007980995	0	41	-1.0	-58.33	322.52	5.36	-52.97
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC=C(OC3CCOCC3)C=C2)C1	REAL300007980996	0	45	-1.0	-46.57	363.88	4.86	-41.71
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CC(Cl)=CN=C2OC)C1	REAL300007980997	0	33	-1.0	-57.50	306.32	3.18	-54.32
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN=C(OC)C(C)=C2)C1	REAL300007980998	0	36	-1.0	-48.23	309.35	1.78	-46.45
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(CC(C)C)N=C2)C1	REAL300007980999	0	39	-1.0	-51.43	325.45	4.51	-46.92
C=C1C[C@@H](C(=O)[O-])N(S(=O)(=O)C2=CN(C(C)C)N=C2C)C1	REAL300007981000	0	39	-1.0	-59.04	328.28	4.70	-54.34
COC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981839	0	38	-1.0	-41.07	313.70	4.40	-36.67
COCCOC1=CC=C(F)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981840	0	45	-1.0	-43.53	352.96	5.15	-38.38
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C	REAL300007981841	0	45	-1.0	-44.48	386.25	1.44	-43.04
CC(C)C[C@H](NS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007981842	0	52	-1.0	-42.49	381.89	6.08	-36.41
CC1=NC2=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=CC=C2C=C1	REAL300007981843	0	42	-1.0	-50.60	337.84	5.81	-44.79
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007981844	0	42	-1.0	-53.03	358.35	6.18	-46.85
CC(C)C[C@H](NS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007981845	0	45	-1.0	-45.23	369.90	2.87	-42.36
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981846	0	48	-1.0	-42.12	396.33	5.61	-36.51
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981847	0	48	-1.0	-45.93	411.43	5.65	-40.28
CCCN1C=NC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300007981848	0	40	-1.0	-53.29	336.81	5.62	-47.67
COCCOCCOCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981849	0	48	-1.0	-47.57	400.91	1.63	-45.94
CC(C)C[C@H](NS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007981850	0	50	-1.0	-40.91	394.13	5.68	-35.23
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300007981851	0	41	-1.0	-43.43	363.55	4.67	-38.76
CC(C)C[C@H](NS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007981852	0	42	-1.0	-43.58	352.71	2.14	-41.44
COC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300007981853	0	38	-1.0	-42.68	343.61	4.27	-38.41
CC(C)C[C@H](NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007981854	0	38	-1.0	-39.82	320.82	4.58	-35.24
COC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007981855	0	40	-1.0	-42.74	350.54	5.14	-37.60
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981856	0	40	-1.0	-39.47	346.56	6.22	-33.25
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981857	0	40	-1.0	-40.58	346.17	6.22	-34.36
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007981858	0	40	-1.0	-41.20	349.42	5.87	-35.33
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300007981859	0	43	-1.0	-43.90	344.57	6.33	-37.57
CC(C)C[C@H](NS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007981860	0	46	-1.0	-41.87	367.26	1.27	-40.60
CCOC1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300007981861	0	41	-1.0	-45.23	346.00	4.60	-40.63
COCCN1C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=N1	REAL300007981862	0	41	-1.0	-46.58	354.75	1.97	-44.61
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007981863	0	41	-1.0	-46.60	359.00	4.94	-41.66
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007981864	0	42	-1.0	-43.31	367.05	6.50	-36.81
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007981865	0	39	-1.0	-50.22	336.19	4.74	-45.48
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007981866	0	37	-1.0	-42.88	338.53	5.67	-37.21
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007981867	0	37	-1.0	-45.08	334.12	5.62	-39.46
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007981868	0	41	-1.0	-56.87	359.61	2.24	-54.63
CC1=CC(Br)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300007981869	0	37	-1.0	-42.26	337.70	5.64	-36.62
CC1=C(Br)C=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981870	0	37	-1.0	-41.69	325.25	5.57	-36.12
COCC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981871	0	41	-1.0	-44.10	337.52	4.39	-39.71
COC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1Br	REAL300007981872	0	38	-1.0	-42.87	344.92	4.34	-38.53
COC1=CC(OC)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300007981873	0	42	-1.0	-41.80	350.48	4.30	-37.50
CC(C)C[C@H](NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007981874	0	37	-1.0	-47.72	338.96	3.41	-44.31
CC(C)C[C@H](NS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007981875	0	37	-1.0	-45.05	334.07	3.21	-41.84
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007981876	0	45	-1.0	-46.01	372.09	5.66	-40.35
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007981877	0	37	-1.0	-46.61	333.93	3.42	-43.19
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981878	0	45	-1.0	-41.36	342.73	2.28	-39.08
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300007981879	0	46	-1.0	-51.98	398.31	3.62	-48.36
CSC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981880	0	38	-1.0	-44.56	325.19	5.31	-39.25
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007981881	0	42	-1.0	-48.11	373.92	1.17	-46.94
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300007981882	0	48	-1.0	-47.73	411.89	2.11	-45.62
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007981883	0	45	-1.0	-50.42	365.59	4.64	-45.78
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1F	REAL300007981884	0	45	-1.0	-46.57	395.06	2.05	-44.52
CCC1=CC=C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300007981885	0	43	-1.0	-44.00	360.22	6.46	-37.54
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=CS1)C(=O)[O-]	REAL300007981886	0	37	-1.0	-42.92	329.06	4.93	-37.99
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007981887	0	49	-1.0	-44.71	408.75	4.80	-39.91
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007981888	0	46	-1.0	-48.00	378.25	4.58	-43.42
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300007981889	0	43	-1.0	-52.95	376.81	2.80	-50.15
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981890	0	44	-1.0	-47.24	365.82	1.96	-45.28
CC1=CC=C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C	REAL300007981891	0	43	-1.0	-44.95	355.74	6.23	-38.72
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Br	REAL300007981892	0	41	-1.0	-44.03	366.41	5.30	-38.73
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007981893	0	48	-1.0	-47.69	403.22	7.41	-40.28
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007981894	0	38	-1.0	-39.90	331.16	5.07	-34.83
COC1=CC=C(Br)C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300007981895	0	41	-1.0	-46.12	363.52	4.88	-41.24
CC(C)C[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)C(=O)[O-]	REAL300007981896	0	43	-1.0	-43.52	341.19	2.61	-40.91
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007981897	0	48	-1.0	-47.13	407.99	6.30	-40.83
COC1=CC(C)=C(Br)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981898	0	41	-1.0	-41.82	346.29	5.35	-36.47
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007981899	0	46	-1.0	-47.03	385.72	5.91	-41.12
CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981900	0	41	-1.0	-47.49	357.42	-0.93	-48.42
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007981901	0	40	-1.0	-48.46	345.44	5.99	-42.47
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007981902	0	37	-1.0	-43.78	350.64	6.30	-37.48
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007981903	0	40	-1.0	-43.40	359.89	7.21	-36.19
CC(C)C[C@H](NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007981904	0	37	-1.0	-43.90	348.20	6.26	-37.64
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007981905	0	40	-1.0	-45.76	347.45	7.07	-38.69
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007981906	0	40	-1.0	-43.40	355.99	6.14	-37.26
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007981907	0	45	-1.0	-43.67	371.39	5.61	-38.06
CC(C)C[C@H](NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007981908	0	48	-1.0	-41.86	392.19	7.62	-34.24
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007981909	0	47	-1.0	-47.86	399.29	5.84	-42.02
CC(C)C[C@H](NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007981910	0	45	-1.0	-46.32	393.57	1.36	-44.96
CC1=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007981911	0	43	-1.0	-46.43	359.39	7.22	-39.21
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1N(C)C	REAL300007981912	0	45	-1.0	-43.51	367.41	5.00	-38.51
CC(C)C[C@H](NS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007981913	0	40	-1.0	-43.98	353.89	6.27	-37.71
CC(C)C[C@H](NS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007981914	0	39	-1.0	-45.19	315.89	1.64	-43.55
CC(C)C[C@H](NS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007981915	0	47	-1.0	-42.91	374.99	4.73	-38.18
COC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300007981916	0	41	-1.0	-42.76	352.75	4.94	-37.82
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007981917	0	43	-1.0	-50.77	374.53	2.49	-48.28
CSC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Cl	REAL300007981918	0	38	-1.0	-44.84	350.21	5.84	-39.00
CCC1=NN(C)C(CC)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981919	0	46	-1.0	-47.21	371.12	4.82	-42.39
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007981920	0	42	-1.0	-44.98	366.15	2.93	-42.05
CCC1=NOC2=NC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C12	REAL300007981921	0	41	-1.0	-45.84	355.89	2.09	-43.75
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007981922	0	45	-1.0	-47.63	391.58	4.20	-43.43
CC(C)C[C@H](NS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007981923	0	39	-1.0	-45.77	339.36	3.51	-42.26
CCC1=CC(CC)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(CC)=C1	REAL300007981924	0	52	-1.0	-43.18	394.82	8.98	-34.20
CC(C)C[C@H](NS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007981925	0	41	-1.0	-57.54	335.25	4.88	-52.66
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007981926	0	40	-1.0	-41.14	363.25	2.49	-38.65
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007981927	0	43	-1.0	-45.65	355.79	8.44	-37.21
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)=C1F	REAL300007981928	0	41	-1.0	-43.94	337.87	4.42	-39.52
CC(C)C[C@H](NS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-]	REAL300007981929	0	46	-1.0	-41.35	342.26	5.82	-35.53
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007981930	0	43	-1.0	-48.50	355.57	5.79	-42.71
CC(C)C[C@H](NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007981932	0	42	-1.0	-47.12	364.09	5.69	-41.43
COCC1=CC(Cl)=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300007981933	0	41	-1.0	-42.21	366.80	4.59	-37.62
CC1=CC=C(CS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(F)=C1	REAL300007981934	0	40	-1.0	-47.58	344.06	5.76	-41.82
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007981936	0	34	-1.0	-39.24	325.38	4.56	-34.68
CC(C)C[C@H](NS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007981937	0	47	-1.0	-43.80	382.33	7.61	-36.19
CC(C)C[C@H](NS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007981938	0	45	-1.0	-44.89	375.45	5.04	-39.85
CC(C)C[C@H](NS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007981939	0	43	-1.0	-47.41	351.61	1.48	-45.93
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007981940	0	37	-1.0	-45.14	328.97	4.83	-40.31
CC1=C(CCS(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])SC=N1	REAL300007981941	0	39	-1.0	-42.90	341.67	3.55	-39.35
CC(C)C[C@H](NS(=O)(=O)CC12CCC(CC1)C2)C(=O)[O-]	REAL300007981942	0	44	-1.0	-42.00	340.98	5.71	-36.29
COC1=CC=C2C=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])CCC2=C1	REAL300007981943	0	46	-1.0	-45.19	375.78	5.99	-39.20
CC(C)C[C@H](NS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007981944	0	47	-1.0	-41.51	347.66	6.28	-35.23
CC(C)C[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007981945	0	45	-1.0	-58.97	366.82	1.43	-57.54
CC(C)C[C@H](NS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007981946	0	43	-1.0	-45.67	345.42	5.48	-40.19
CC(C)C[C@H](NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C(=O)[O-]	REAL300007981947	0	41	-1.0	-43.64	342.23	6.40	-37.24
CCC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007981948	0	42	-1.0	-47.11	357.41	6.24	-40.87
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007981949	0	34	-1.0	-40.44	311.38	4.92	-35.52
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007981950	0	34	-1.0	-40.47	315.94	5.03	-35.44
CC(C)C[C@H](NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007981951	0	36	-1.0	-39.57	322.87	5.05	-34.52
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007981952	0	40	-1.0	-46.85	340.59	6.69	-40.16
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007981953	0	36	-1.0	-41.78	322.87	5.05	-36.73
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981954	0	39	-1.0	-40.68	332.56	5.79	-34.89
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300007981955	0	38	-1.0	-43.73	324.14	3.70	-40.03
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007981956	0	36	-1.0	-48.53	306.17	5.76	-42.77
CCOC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981957	0	41	-1.0	-40.99	348.01	5.80	-35.19
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300007981958	0	41	-1.0	-43.66	345.99	4.60	-39.06
CC1=CC(C)=C(C)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1C	REAL300007981959	0	46	-1.0	-45.59	356.26	7.02	-38.57
CC1=CC(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)=C1	REAL300007981960	0	43	-1.0	-43.54	341.13	6.54	-37.00
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981961	0	49	-1.0	-43.60	382.40	7.48	-36.12
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007981962	0	37	-1.0	-40.81	333.38	5.38	-35.43
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007981963	0	37	-1.0	-43.48	314.27	5.74	-37.74
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007981964	0	34	-1.0	-41.14	311.38	4.90	-36.24
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300007981965	0	39	-1.0	-44.69	336.25	4.79	-39.90
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007981966	0	40	-1.0	-43.76	348.26	5.06	-38.70
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007981967	0	46	-1.0	-43.69	369.01	6.67	-37.02
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300007981968	0	43	-1.0	-44.63	355.24	6.31	-38.32
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007981969	0	45	-1.0	-49.79	390.50	2.35	-47.44
CCCC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300007981970	0	43	-1.0	-44.20	359.40	6.60	-37.60
COC1=CC=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981971	0	38	-1.0	-44.33	306.88	4.13	-40.20
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1Br	REAL300007981972	0	38	-1.0	-44.91	344.91	4.34	-40.57
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC=C1Br	REAL300007981973	0	37	-1.0	-40.71	332.29	5.53	-35.18
CC1=CC=CC(OC2=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C2)=C1	REAL300007981974	0	48	-1.0	-44.90	404.78	7.93	-36.97
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007981975	0	38	-1.0	-41.17	340.98	4.15	-37.02
CC1=C(C)C(C)=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)=C1C	REAL300007981976	0	49	-1.0	-45.76	364.20	7.43	-38.33
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007981977	0	43	-1.0	-48.36	355.62	4.29	-44.07
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981978	0	50	-1.0	-44.73	383.49	6.68	-38.05
CC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007981979	0	39	-1.0	-45.84	337.11	5.55	-40.29
COC1=CC=C(Br)C=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981980	0	38	-1.0	-40.89	328.60	4.95	-35.94
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981981	0	52	-1.0	-45.20	396.38	8.21	-36.99
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007981982	0	37	-1.0	-39.92	333.38	5.40	-34.52
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007981983	0	44	-1.0	-46.13	357.71	6.85	-39.28
COC1=CC=C(OC)C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1	REAL300007981984	0	42	-1.0	-44.90	336.77	3.64	-41.26
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1OC	REAL300007981985	0	42	-1.0	-46.54	353.38	3.61	-42.93
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2CCCC2=C1)C(=O)[O-]	REAL300007981986	0	41	-1.0	-45.84	340.17	6.29	-39.55
CC(C)C[C@H](NS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007981987	0	42	-1.0	-44.99	346.33	6.69	-38.30
CC(C)C[C@H](NS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007981988	0	39	-1.0	-44.33	330.57	4.26	-40.07
CC(C)CCC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1	REAL300007981989	0	49	-1.0	-43.32	398.11	7.91	-35.41
CCOC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C=C1OCC	REAL300007981990	0	48	-1.0	-46.52	395.19	5.36	-41.16
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007981991	0	39	-1.0	-49.72	349.18	-0.68	-50.40
CC1=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007981992	0	42	-1.0	-42.99	353.82	6.03	-36.96
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C1C	REAL300007981993	0	42	-1.0	-42.04	352.48	6.39	-35.65
CC1=CC2=CC=CC(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])=C2N=C1	REAL300007981994	0	42	-1.0	-50.99	340.13	6.06	-44.93
COC1=CC=C(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007981995	0	40	-1.0	-49.46	341.92	5.14	-44.32
COC1=CC(Cl)=CC=C1S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-]	REAL300007981996	0	38	-1.0	-40.98	321.84	4.94	-36.04
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007981997	0	39	-1.0	-49.58	348.83	-0.66	-50.24
CC(C)C[C@H](NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007981998	0	46	-1.0	-49.79	404.01	2.20	-47.59
CC(C)C[C@H](NS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007981999	0	42	-1.0	-45.73	355.43	6.15	-39.58
CC(C)C[C@H](NS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007982000	0	43	-1.0	-43.95	351.83	5.70	-38.25
COC1=CC=C(F)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985031	0	33	-1.0	-48.26	295.63	1.85	-46.41
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007985032	0	34	-1.0	-48.98	333.24	3.75	-45.23
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985033	0	40	-1.0	-50.31	346.27	1.97	-48.34
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C	REAL300007985034	0	40	-1.0	-53.99	360.35	-1.09	-55.08
CO[C@@H](CNS(=O)(=O)N1CCC2(CCCCC2)CC1)C(=O)[O-]	REAL300007985035	0	47	-1.0	-46.79	355.86	3.63	-43.16
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=CC=C(C)N=C21)C(=O)[O-]	REAL300007985036	0	37	-1.0	-57.99	321.94	3.62	-54.37
CO[C@@H](CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007985037	0	37	-1.0	-59.73	333.49	3.84	-55.89
CO[C@@H](CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1)C(=O)[O-]	REAL300007985038	0	40	-1.0	-51.02	345.87	0.50	-50.52
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985039	0	43	-1.0	-53.91	382.99	3.09	-50.82
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985040	0	43	-1.0	-48.89	371.27	2.97	-45.92
COCCOCCOCCS(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985041	0	43	-1.0	-52.50	377.20	-0.73	-53.23
CO[C@@H](CNS(=O)(=O)CC(C)COC1CCCC1)C(=O)[O-]	REAL300007985042	0	45	-1.0	-49.23	369.53	3.31	-45.92
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCOC1)C(=O)[O-]	REAL300007985043	0	44	-1.0	-52.28	383.74	3.34	-48.94
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985044	0	36	-1.0	-47.72	336.92	2.25	-45.47
CO[C@@H](CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)C(=O)[O-]	REAL300007985045	0	37	-1.0	-48.64	326.75	-0.30	-48.94
COC1=CC(Br)=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985046	0	33	-1.0	-48.07	319.28	1.87	-46.20
CO[C@@H](CNS(=O)(=O)C1=CC(F)=CC=C1OC(F)F)C(=O)[O-]	REAL300007985047	0	33	-1.0	-45.41	305.39	2.12	-43.29
COC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007985048	0	35	-1.0	-48.98	324.23	2.70	-46.28
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1C)C(=O)[O-]	REAL300007985049	0	35	-1.0	-46.88	323.36	3.76	-43.12
CO[C@@H](CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C)C(=O)[O-]	REAL300007985050	0	35	-1.0	-49.56	322.26	3.85	-45.71
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007985051	0	35	-1.0	-46.38	322.92	3.46	-42.92
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1C(C)C)C(=O)[O-]	REAL300007985052	0	38	-1.0	-49.51	322.40	4.04	-45.47
CO[C@@H](CNS(=O)(=O)CCCN1CCOCC1)C(=O)[O-]	REAL300007985053	0	41	-1.0	-50.29	342.17	-1.07	-51.36
CCOC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985054	0	36	-1.0	-49.00	319.84	2.17	-46.83
COCCN1C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=N1	REAL300007985055	0	36	-1.0	-51.59	328.46	-0.43	-52.02
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC(F)F)C=C1)C(=O)[O-]	REAL300007985056	0	36	-1.0	-51.65	333.07	2.50	-49.15
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1C	REAL300007985057	0	56	-1.0	-47.39	456.91	6.54	-40.85
CO[C@@H](CNS(=O)(=O)C1=CC=C(NS(=O)(=O)C(C)C)C(F)=C1)C(=O)[O-]	REAL300007985058	0	43	-1.0	-49.47	379.78	-0.12	-49.59
CO[C@@H](CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007985059	0	37	-1.0	-53.29	342.19	4.13	-49.16
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2N=C1)C(=O)[O-]	REAL300007985060	0	34	-1.0	-52.96	309.91	2.32	-50.64
CO[C@@H](CNS(=O)(=O)CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007985061	0	32	-1.0	-51.04	313.77	3.28	-47.76
CO[C@@H](CNS(=O)(=O)CC1=CC=CC=C1Br)C(=O)[O-]	REAL300007985062	0	32	-1.0	-49.75	309.25	3.23	-46.52
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1)C(=O)[O-]	REAL300007985063	0	36	-1.0	-59.58	333.10	-0.20	-59.78
CO[C@@H](CNS(=O)(=O)C1=CC(C)=CC(Br)=C1)C(=O)[O-]	REAL300007985064	0	32	-1.0	-48.59	311.41	3.23	-45.36
CO[C@@H](CNS(=O)(=O)C1=CC=CC(Br)=C1C)C(=O)[O-]	REAL300007985065	0	32	-1.0	-47.31	301.34	3.38	-43.93
COCC1=CC=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985066	0	36	-1.0	-48.72	315.22	2.08	-46.64
COC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1Br	REAL300007985067	0	33	-1.0	-47.21	318.62	1.93	-45.28
COC1=CC(OC)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1Cl	REAL300007985068	0	37	-1.0	-48.17	334.49	1.64	-46.53
CO[C@@H](CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)C(=O)[O-]	REAL300007985069	0	32	-1.0	-54.62	312.66	1.02	-53.60
CO[C@@H](CNS(=O)(=O)C1=CN(CC(F)F)N=C1)C(=O)[O-]	REAL300007985070	0	32	-1.0	-51.87	307.78	0.81	-51.06
CO[C@@H](CNS(=O)(=O)C1=CC=C2OC(C)(C)CC2=C1)C(=O)[O-]	REAL300007985071	0	40	-1.0	-48.74	346.16	3.20	-45.54
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2)C(=O)[O-]	REAL300007985072	0	32	-1.0	-56.03	302.48	0.94	-55.09
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985073	0	40	-1.0	-51.75	348.72	1.13	-50.62
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C(I)=C1)C(=O)[O-]	REAL300007985074	0	32	-1.0	-49.14	314.05	3.59	-45.55
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985075	0	41	-1.0	-55.27	372.36	1.17	-54.10
CCN(CC)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985076	0	46	-1.0	-52.38	405.24	1.66	-50.72
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1SC)C(=O)[O-]	REAL300007985077	0	33	-1.0	-51.23	293.00	2.12	-49.11
CCCS(=O)(=O)NCC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985078	0	46	-1.0	-58.37	411.59	0.47	-57.90
CO[C@@H](CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C(F)=C1)C(=O)[O-]	REAL300007985079	0	37	-1.0	-50.90	347.66	-1.27	-52.17
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(OC)=C1	REAL300007985080	0	44	-1.0	-53.86	387.94	-0.71	-54.57
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(F)=C1	REAL300007985081	0	43	-1.0	-54.04	387.20	0.01	-54.03
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985082	0	43	-1.0	-52.67	387.84	-0.25	-52.92
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N(C)C)C(=O)[O-]	REAL300007985083	0	40	-1.0	-64.51	346.60	1.96	-62.55
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1F	REAL300007985084	0	43	-1.0	-49.91	390.63	0.41	-49.50
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N1CCCC1)C(=O)[O-]	REAL300007985085	0	44	-1.0	-57.00	369.03	2.43	-54.57
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1F	REAL300007985086	0	40	-1.0	-49.94	369.13	-0.38	-50.32
CCC1=CC=C(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985087	0	38	-1.0	-50.45	335.36	4.11	-46.34
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1)C(=O)[O-]	REAL300007985088	0	44	-1.0	-53.07	382.46	2.39	-50.68
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1)C(=O)[O-]	REAL300007985089	0	41	-1.0	-49.94	323.26	1.08	-48.86
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985090	0	38	-1.0	-54.82	350.65	0.36	-54.46
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985091	0	39	-1.0	-56.50	349.92	-0.70	-57.20
CO[C@@H](CNS(=O)(=O)CC1=CC=C(C)C(C)=C1)C(=O)[O-]	REAL300007985092	0	38	-1.0	-51.01	330.89	3.87	-47.14
CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1Br	REAL300007985093	0	36	-1.0	-47.25	340.47	2.85	-44.40
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007985094	0	43	-1.0	-52.10	376.89	5.02	-47.08
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F)C(=O)[O-]	REAL300007985095	0	33	-1.0	-45.39	315.71	2.57	-42.82
CO[C@@H](CNS(=O)(=O)C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007985096	0	35	-1.0	-49.55	349.17	0.08	-49.47
COC1=CC=C(Br)C(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985097	0	36	-1.0	-51.61	338.64	2.53	-49.08
CO[C@@H](CNS(=O)(=O)C1=CC=C2N=C(C(C)(C)C)SC2=C1)C(=O)[O-]	REAL300007985098	0	43	-1.0	-49.55	381.48	3.89	-45.66
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985099	0	36	-1.0	-48.15	328.70	2.96	-45.19
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(=C1)C=NN2C(C)C)C(=O)[O-]	REAL300007985100	0	41	-1.0	-50.45	359.43	3.48	-46.97
CCS(=O)(=O)NCCS(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985101	0	36	-1.0	-55.48	332.34	-3.30	-58.78
CO[C@@H](CNS(=O)(=O)C1=C(C)C2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007985102	0	35	-1.0	-50.59	322.46	3.23	-47.36
CO[C@@H](CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1)C(=O)[O-]	REAL300007985103	0	32	-1.0	-48.52	324.35	3.89	-44.63
CO[C@@H](CNS(=O)(=O)C1=C(C)SC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007985104	0	35	-1.0	-46.28	330.43	4.64	-41.64
CO[C@@H](CNS(=O)(=O)C1=CSC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007985105	0	32	-1.0	-51.64	311.51	3.35	-48.29
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21)C(=O)[O-]	REAL300007985106	0	35	-1.0	-51.67	326.18	4.81	-46.86
CO[C@@H](CNS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1)C(=O)[O-]	REAL300007985107	0	35	-1.0	-49.78	329.68	3.74	-46.04
CO[C@@H](CNS(=O)(=O)CCC1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007985108	0	40	-1.0	-51.95	349.86	3.30	-48.65
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1)C(=O)[O-]	REAL300007985109	0	43	-1.0	-50.50	375.64	5.34	-45.16
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC2=NC=NN2C)C=C1)C(=O)[O-]	REAL300007985110	0	42	-1.0	-53.97	375.26	3.48	-50.49
CO[C@@H](CNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1)C(=O)[O-]	REAL300007985111	0	40	-1.0	-55.08	368.71	-0.98	-56.06
CO[C@@H](CNS(=O)(=O)C1=C(C)SC2=C(C)C=CC=C21)C(=O)[O-]	REAL300007985112	0	38	-1.0	-50.67	339.78	4.95	-45.72
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C(N(C)C)=C1)C(=O)[O-]	REAL300007985113	0	40	-1.0	-49.20	343.33	2.61	-46.59
CO[C@@H](CNS(=O)(=O)CCC1=CC=CC=C1Br)C(=O)[O-]	REAL300007985114	0	35	-1.0	-51.40	330.16	3.89	-47.51
CO[C@@H](CNS(=O)(=O)C1=C2OCCCN2N=C1)C(=O)[O-]	REAL300007985115	0	34	-1.0	-51.29	301.58	-1.12	-52.41
CO[C@@H](CNS(=O)(=O)CCOCC1CCCC1)C(=O)[O-]	REAL300007985116	0	42	-1.0	-48.89	353.45	2.41	-46.48
COC1=CC(C)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1Cl	REAL300007985117	0	36	-1.0	-50.38	328.90	2.71	-47.67
CO[C@@H](CNS(=O)(=O)CC1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007985118	0	38	-1.0	-61.51	353.17	0.18	-61.33
CO[C@@H](CNS(=O)(=O)C1=CC=C(SC)C(Cl)=C1)C(=O)[O-]	REAL300007985119	0	33	-1.0	-47.13	323.91	3.43	-43.70
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985120	0	41	-1.0	-48.10	342.32	2.42	-45.68
CO[C@@H](CNS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1)C(=O)[O-]	REAL300007985121	0	37	-1.0	-51.96	339.86	0.52	-51.44
CCC1=NOC2=NC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C12	REAL300007985122	0	36	-1.0	-48.23	329.73	-0.34	-48.57
CO[C@@H](CNS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1)C(=O)[O-]	REAL300007985123	0	40	-1.0	-48.99	365.01	1.77	-47.22
CO[C@@H](CNS(=O)(=O)C1=CN=C2C(=C1)C=NN2C)C(=O)[O-]	REAL300007985124	0	34	-1.0	-49.67	313.07	1.08	-48.59
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1)C(=O)[O-]	REAL300007985125	0	35	-1.0	-48.58	335.91	4.83	-43.75
CCC1=CC(CC)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(CC)=C1	REAL300007985126	0	47	-1.0	-47.63	368.66	6.56	-41.07
CCS(=O)(=O)NC1=CC(OC)=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985127	1	44	-1.0	-50.82	387.58	-0.84	-51.66
CO[C@@H](CNS(=O)(=O)C1=CN2CCCCC2=N1)C(=O)[O-]	REAL300007985128	0	36	-1.0	-58.12	314.27	1.97	-56.15
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1)C(=O)[O-]	REAL300007985129	0	35	-1.0	-47.25	337.32	0.04	-47.21
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1)C(=O)[O-]	REAL300007985130	0	38	-1.0	-56.25	335.11	5.72	-50.53
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(C)=C1F	REAL300007985131	0	36	-1.0	-48.86	317.88	2.20	-46.66
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2OCC1)C(=O)[O-]	REAL300007985132	0	38	-1.0	-50.17	329.83	3.41	-46.76
CO[C@@H](CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007985134	0	37	-1.0	-50.06	338.15	3.22	-46.84
COCC1=CC(Cl)=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985135	0	36	-1.0	-48.76	340.29	2.17	-46.59
CO[C@@H](CNS(=O)(=O)CC1=CC=C(C)C=C1F)C(=O)[O-]	REAL300007985136	0	35	-1.0	-53.57	319.19	3.38	-50.19
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)S1)C(=O)[O-]	REAL300007985138	0	29	-1.0	-47.42	301.28	2.15	-45.27
CO[C@@H](CNS(=O)(=O)CCC1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007985139	0	42	-1.0	-50.61	357.46	5.25	-45.36
CO[C@@H](CNS(=O)(=O)CC1=NOC(C(C)(C)C)=C1)C(=O)[O-]	REAL300007985140	0	40	-1.0	-50.79	350.37	2.67	-48.12
CO[C@@H](CNS(=O)(=O)CC1CCCS(=O)(=O)C1)C(=O)[O-]	REAL300007985141	0	38	-1.0	-59.00	329.86	-0.87	-59.87
CO[C@@H](CNS(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300007985142	0	32	-1.0	-49.97	304.67	2.40	-47.57
CO[C@@H](CNS(=O)(=O)CCC1=C(C)N=CS1)C(=O)[O-]	REAL300007985143	0	34	-1.0	-50.39	317.73	1.20	-49.19
COC1=CC=C2C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])CCC2=C1	REAL300007985144	0	41	-1.0	-49.48	352.64	3.65	-45.83
CO[C@@H](CNS(=O)(=O)CC12CCC(CC1)CC2)C(=O)[O-]	REAL300007985145	0	42	-1.0	-48.88	326.13	3.98	-44.90
CO[C@@H](CNS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C(=O)[O-]	REAL300007985146	0	40	-1.0	-62.77	341.96	-0.93	-63.70
CO[C@@H](CNS(=O)(=O)CC1CCCCC1(F)F)C(=O)[O-]	REAL300007985147	0	38	-1.0	-49.33	321.76	3.10	-46.23
CO[C@@H](CNS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1=CC=CC=C1)C(=O)[O-]	REAL300007985148	0	44	-1.0	-54.63	391.90	5.19	-49.44
CO[C@@H](CNS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C1CCOCC1)C(=O)[O-]	REAL300007985149	0	48	-1.0	-51.55	410.00	2.71	-48.84
CCC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007985150	0	37	-1.0	-54.94	331.12	3.78	-51.16
CO[C@@H](CNS(=O)(=O)C1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007985151	0	29	-1.0	-46.46	289.78	2.57	-43.89
CO[C@@H](CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1)C(=O)[O-]	REAL300007985152	0	31	-1.0	-47.44	296.94	2.63	-44.81
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)[O-]	REAL300007985153	0	35	-1.0	-50.45	314.66	4.23	-46.22
CO[C@@H](CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007985154	0	31	-1.0	-47.94	296.71	2.61	-45.33
CO[C@@H](CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C)C(=O)[O-]	REAL300007985155	0	34	-1.0	-53.02	311.64	3.53	-49.49
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)[O-]	REAL300007985156	0	31	-1.0	-53.83	285.91	3.44	-50.39
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985157	0	36	-1.0	-48.61	332.39	3.33	-45.28
CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985158	0	36	-1.0	-48.37	320.05	2.18	-46.19
CO[C@@H](CNS(=O)(=O)C1=C(C)C(C)=CC(C)=C1C)C(=O)[O-]	REAL300007985159	0	41	-1.0	-48.49	332.76	4.72	-43.77
CO[C@@H](CNS(=O)(=O)C1=C(C)C=C(C)C=C1C)C(=O)[O-]	REAL300007985160	0	38	-1.0	-47.72	312.82	3.97	-43.75
CO[C@@H](CNS(=O)(=O)C1=CC(C(C)(C)C)=CC=C1C)C(=O)[O-]	REAL300007985161	0	44	-1.0	-49.61	359.40	5.18	-44.43
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007985162	0	32	-1.0	-46.82	307.44	2.96	-43.86
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007985163	0	32	-1.0	-49.58	293.66	3.51	-46.07
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(C)=O)C=C1)C(=O)[O-]	REAL300007985164	0	34	-1.0	-49.62	311.46	2.44	-47.18
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007985165	0	35	-1.0	-56.78	324.23	2.70	-54.08
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)[O-]	REAL300007985166	0	41	-1.0	-48.43	344.90	4.28	-44.15
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(C)C)C=C1)C(=O)[O-]	REAL300007985167	0	38	-1.0	-48.45	328.95	3.88	-44.57
CCN(CC)S(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985168	0	46	-1.0	-52.58	405.45	1.67	-50.91
CO[C@@H](CNS(=O)(=O)C1=CC=C(S(=O)(=O)N(C)C)C=C1)C(=O)[O-]	REAL300007985169	0	40	-1.0	-52.92	364.30	-0.05	-52.97
CCCC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985170	0	38	-1.0	-48.43	333.09	4.17	-44.26
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1Br	REAL300007985171	0	33	-1.0	-47.55	318.62	1.92	-45.63
CO[C@@H](CNS(=O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007985172	0	35	-1.0	-45.65	346.29	3.96	-41.69
CO[C@@H](CNS(=O)(=O)C1=CC=C(Br)C(C)=C1)C(=O)[O-]	REAL300007985173	0	32	-1.0	-46.67	307.98	3.13	-43.54
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C=C1)C(=O)[O-]	REAL300007985174	0	43	-1.0	-49.16	378.83	5.49	-43.67
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007985175	0	33	-1.0	-47.16	314.69	1.75	-45.41
CO[C@@H](CNS(=O)(=O)C1=C(C)C(C)=C(C)C(C)=C1C)C(=O)[O-]	REAL300007985176	0	44	-1.0	-48.87	342.58	4.97	-43.90
CO[C@@H](CNS(=O)(=O)C1=CC=C2OCCCOC2=C1)C(=O)[O-]	REAL300007985177	0	38	-1.0	-48.67	331.31	1.88	-46.79
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985178	0	45	-1.0	-50.11	365.45	4.11	-46.00
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(Br)=CN(C)C2=C1)C(=O)[O-]	REAL300007985179	0	36	-1.0	-52.11	344.15	4.33	-47.78
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007985180	0	34	-1.0	-54.08	315.61	3.25	-50.83
COC1=CC=C(Br)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985181	0	33	-1.0	-47.90	310.52	2.40	-45.50
CO[C@@H](CNS(=O)(=O)C1=C(C)C=C(C(C)(C)C)C=C1C)C(=O)[O-]	REAL300007985182	0	47	-1.0	-47.26	367.61	5.63	-41.63
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1)C(=O)[O-]	REAL300007985183	0	32	-1.0	-46.64	307.46	2.95	-43.69
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCCCC2=C1)C(=O)[O-]	REAL300007985184	0	39	-1.0	-48.83	331.21	4.42	-44.41
COC1=CC=C(OC)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985185	0	37	-1.0	-50.88	318.70	1.06	-49.82
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1OC	REAL300007985186	0	37	-1.0	-49.71	327.44	1.16	-48.55
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2CC1)C(=O)[O-]	REAL300007985187	0	37	-1.0	-49.18	323.17	4.36	-44.82
CO[C@@H](CNS(=O)(=O)C1=CC=C2OCCC2=C1)C(=O)[O-]	REAL300007985188	0	34	-1.0	-49.78	304.65	1.80	-47.98
CO[C@@H](CNS(=O)(=O)C1=CC=C(CCC(C)C)C=C1)C(=O)[O-]	REAL300007985189	0	44	-1.0	-48.35	372.15	5.46	-42.89
CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1OCC	REAL300007985190	0	43	-1.0	-49.37	371.15	3.00	-46.37
CO[C@@H](CNS(=O)(=O)C1=CC=C(S(N)(=O)=O)C=C1)C(=O)[O-]	REAL300007985191	0	34	-1.0	-54.25	322.93	-3.09	-57.34
CO[C@@H](CNS(=O)(=O)C1=CC(C)=C(C)C([N+](=O)[O-])=C1)C(=O)[O-]	REAL300007985192	0	37	-1.0	-47.56	333.13	3.80	-43.76
CO[C@@H](CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC(C)=C1C)C(=O)[O-]	REAL300007985193	0	37	-1.0	-52.18	329.96	3.96	-48.22
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=CC(C)=CN=C21)C(=O)[O-]	REAL300007985194	0	37	-1.0	-57.48	322.07	3.71	-53.77
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007985195	0	35	-1.0	-51.52	315.40	2.73	-48.79
COC1=CC(Cl)=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985196	0	33	-1.0	-47.86	305.97	2.30	-45.56
CO[C@@H](CNS(=O)(=O)C1=CC=CC(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300007985197	0	34	-1.0	-53.65	322.67	-3.10	-56.75
CO[C@@H](CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1)C(=O)[O-]	REAL300007985198	0	41	-1.0	-52.83	377.73	-0.20	-53.03
CO[C@@H](CNS(=O)(=O)N(C)CC1=C(F)C=CC=C1Cl)C(=O)[O-]	REAL300007985199	0	37	-1.0	-49.10	334.65	3.43	-45.67
CO[C@@H](CNS(=O)(=O)N1CCC2=CC=CC=C2C1)C(=O)[O-]	REAL300007985200	0	38	-1.0	-48.63	325.22	3.26	-45.37
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C2=NC=CC=C12)C(=O)[O-]	REAL300007985201	0	37	-1.0	-51.49	324.95	3.25	-48.24
CO[C@@H](CNS(=O)(=O)C1=CC(C)=C(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007985202	0	37	-1.0	-52.53	324.69	4.65	-47.88
CO[C@@H](CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N(C)C)=C1)C(=O)[O-]	REAL300007985203	0	40	-1.0	-52.41	364.09	-0.06	-52.47
CO[C@@H](CNS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007985204	0	41	-1.0	-61.77	354.64	1.29	-60.48
CO[C@@H](CNS(=O)(=O)C1=CC=CC(S(C)(=O)=O)=C1)C(=O)[O-]	REAL300007985205	0	35	-1.0	-55.80	329.19	-0.53	-56.33
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007985206	0	39	-1.0	-46.64	323.89	5.04	-41.60
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007985207	0	35	-1.0	-51.81	309.71	4.31	-47.50
CO[C@@H](CNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007985208	0	39	-1.0	-49.86	342.90	5.37	-44.49
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C(N(C)C)C=CC=C12)C(=O)[O-]	REAL300007985209	0	43	-1.0	-50.36	363.14	4.17	-46.19
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007985210	0	30	-1.0	-55.40	287.06	0.34	-55.06
COC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985211	0	33	-1.0	-48.03	305.96	2.30	-45.73
CCC(C)(C)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985212	0	44	-1.0	-48.46	359.13	4.74	-43.72
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C(Cl)=C1)C(=O)[O-]	REAL300007985213	0	32	-1.0	-49.36	304.18	3.07	-46.29
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC(C)C)C=C1)C(=O)[O-]	REAL300007985214	0	39	-1.0	-48.36	337.97	2.80	-45.56
CO[C@@H](CNS(=O)(=O)CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007985215	0	32	-1.0	-51.09	309.20	3.18	-47.91
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=NON=C21)C(=O)[O-]	REAL300007985216	0	30	-1.0	-58.63	279.38	0.65	-57.98
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007985217	0	34	-1.0	-48.36	325.01	4.45	-43.91
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007985218	0	34	-1.0	-57.15	300.69	3.07	-54.08
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1)C(=O)[O-]	REAL300007985219	0	40	-1.0	-51.15	374.22	5.35	-45.80
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985220	0	35	-1.0	-47.57	317.45	2.45	-45.12
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1F	REAL300007985221	0	33	-1.0	-48.00	304.42	1.33	-46.67
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300007985222	0	40	-1.0	-48.17	374.12	5.32	-42.85
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C2)C=C1	REAL300007985223	0	44	-1.0	-49.21	386.66	4.08	-45.13
CO[C@@H](CNS(=O)(=O)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C(=O)[O-]	REAL300007985224	0	56	-1.0	-47.85	427.54	7.99	-39.86
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC(C)C)C2=CC=CC=C21)C(=O)[O-]	REAL300007985225	0	45	-1.0	-51.16	377.68	5.23	-45.93
CO[C@@H](CNS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1)C(=O)[O-]	REAL300007985226	0	32	-1.0	-50.35	324.39	3.64	-46.71
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C2=CC=CC=C12	REAL300007985227	0	39	-1.0	-51.58	338.04	3.66	-47.92
CO[C@@H](CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007985228	0	34	-1.0	-47.41	311.67	3.52	-43.89
CO[C@@H](CNS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007985229	0	34	-1.0	-48.42	306.12	3.35	-45.07
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985230	0	37	-1.0	-52.59	328.73	4.40	-48.19
CO[C@@H](CNS(=O)(=O)C1=CC=C(CC(C)C)C=C1)C(=O)[O-]	REAL300007985231	0	41	-1.0	-48.39	349.92	4.64	-43.75
COCCC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985232	0	39	-1.0	-49.01	345.26	2.47	-46.54
COCCN(CCOC)S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985233	0	41	-1.0	-47.01	342.47	-0.84	-47.85
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC=C1C)C(=O)[O-]	REAL300007985234	0	32	-1.0	-49.05	300.14	3.38	-45.67
COC1=C(C)C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C	REAL300007985235	0	39	-1.0	-48.86	342.07	2.83	-46.03
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCCC(C)C)C=C1)C(=O)[O-]	REAL300007985236	0	45	-1.0	-47.89	380.62	4.28	-43.61
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1)C(=O)[O-]	REAL300007985237	0	43	-1.0	-47.94	363.36	4.17	-43.77
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC(C)C)C=C1)C(=O)[O-]	REAL300007985238	0	42	-1.0	-47.98	361.65	3.68	-44.30
CCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985239	0	39	-1.0	-48.03	341.55	2.98	-45.05
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1Cl	REAL300007985240	0	33	-1.0	-47.58	314.23	1.81	-45.77
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1)C(=O)[O-]	REAL300007985241	0	33	-1.0	-49.06	323.98	2.08	-46.98
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C	REAL300007985242	0	36	-1.0	-48.59	318.05	1.99	-46.60
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC(C)C)C(C)=C1)C(=O)[O-]	REAL300007985243	0	42	-1.0	-48.25	357.84	3.54	-44.71
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(C)=C1	REAL300007985244	0	36	-1.0	-49.21	312.89	2.16	-47.05
COCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985245	0	40	-1.0	-49.91	353.68	1.45	-48.46
CO[C@@H](CNS(=O)(=O)C1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007985246	0	32	-1.0	-46.81	304.49	3.46	-43.35
CO[C@@H](CNS(=O)(=O)C1=C([N+](=O)[O-])C=CC(C)=C1C)C(=O)[O-]	REAL300007985247	0	37	-1.0	-52.33	317.99	4.84	-47.49
CO[C@@H](CNS(=O)(=O)C1=CC(S(C)(=O)=O)=CC=C1C)C(=O)[O-]	REAL300007985248	0	38	-1.0	-55.29	344.12	0.39	-54.90
CO[C@@H](CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1)C(=O)[O-]	REAL300007985249	0	41	-1.0	-52.64	377.50	-0.21	-52.85
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985250	0	37	-1.0	-53.34	345.31	-1.88	-55.22
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985251	0	37	-1.0	-52.12	305.07	-0.68	-52.80
CO[C@@H](CNS(=O)(=O)C1=CSC2=CC=CC=C12)C(=O)[O-]	REAL300007985252	0	32	-1.0	-49.31	294.53	2.83	-46.48
COC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1F	REAL300007985253	0	33	-1.0	-47.61	304.43	1.33	-46.28
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007985254	0	39	-1.0	-49.79	342.91	5.37	-44.42
CO[C@@H](CNS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1)C(=O)[O-]	REAL300007985255	0	32	-1.0	-48.87	325.93	3.68	-45.19
CO[C@@H](CNS(=O)(=O)C1=CC=C(C2=CSC(C)=N2)S1)C(=O)[O-]	REAL300007985256	0	35	-1.0	-50.26	348.16	2.51	-47.75
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1)C(=O)[O-]	REAL300007985257	0	49	-1.0	-47.86	403.29	5.57	-42.29
CO[C@@H](CNS(=O)(=O)C1=CC(C)=CC2=CC=CN=C21)C(=O)[O-]	REAL300007985258	0	37	-1.0	-56.61	322.28	3.72	-52.89
CNC(=O)C1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CN1C	REAL300007985259	0	37	-1.0	-51.85	332.37	-0.41	-52.26
COC1=CC(C)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(C)=C1	REAL300007985260	0	39	-1.0	-48.61	324.27	2.73	-45.88
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12)C(=O)[O-]	REAL300007985261	0	40	-1.0	-50.46	352.93	6.07	-44.39
COC1=CC(C)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C	REAL300007985262	0	39	-1.0	-49.96	332.94	2.89	-47.07
CO[C@@H](CNS(=O)(=O)C1=C(C)C=CC2=NC=CC=C21)C(=O)[O-]	REAL300007985263	0	37	-1.0	-50.81	314.66	3.14	-47.67
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=CN=CC=C21)C(=O)[O-]	REAL300007985264	0	34	-1.0	-51.99	304.81	2.51	-49.48
CO[C@@H](CNS(=O)(=O)C1=CC2=C(C=C1)N(C)C1=C2C=CC=C1)C(=O)[O-]	REAL300007985265	0	42	-1.0	-54.61	368.54	5.79	-48.82
CCN1C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007985266	0	34	-1.0	-53.16	318.83	2.84	-50.32
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1)C(=O)[O-]	REAL300007985267	0	36	-1.0	-48.92	339.62	2.64	-46.28
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007985268	0	43	-1.0	-49.38	379.97	5.23	-44.15
CCC(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985269	0	37	-1.0	-53.14	331.57	3.21	-49.93
CO[C@@H](CNS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007985270	0	39	-1.0	-53.29	354.70	3.52	-49.77
CO[C@@H](CNS(=O)(=O)N(CCC(C)C)CCC(C)C)C(=O)[O-]	REAL300007985271	0	51	-1.0	-47.68	403.12	4.79	-42.89
CO[C@@H](CNS(=O)(=O)C1=CC=C(NS(C)(=O)=O)C=C1)C(=O)[O-]	REAL300007985272	0	37	-1.0	-56.45	342.05	-1.35	-57.80
CO[C@@H](CNS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCCC2)=C1)C(=O)[O-]	REAL300007985273	0	44	-1.0	-52.73	390.64	1.09	-51.64
CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C2=CC=CC=C12	REAL300007985274	0	42	-1.0	-51.30	359.89	4.59	-46.71
CCOC1=CC=C(C)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985275	0	39	-1.0	-51.29	332.51	3.37	-47.92
CO[C@@H](CNS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1)C(=O)[O-]	REAL300007985276	0	34	-1.0	-55.97	317.00	2.13	-53.84
CO[C@@H](CNS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1)C(=O)[O-]	REAL300007985277	0	36	-1.0	-52.84	329.27	3.07	-49.77
CCOCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985278	0	43	-1.0	-49.96	375.53	2.42	-47.54
CCCCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985279	0	45	-1.0	-47.94	384.55	4.54	-43.40
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300007985280	0	39	-1.0	-49.49	324.38	4.64	-44.85
CO[C@@H](CNS(=O)(=O)CC1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007985281	0	35	-1.0	-50.39	317.17	3.77	-46.62
CO[C@@H](CNS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1)C(=O)[O-]	REAL300007985282	0	33	-1.0	-47.77	325.09	3.42	-44.35
CO[C@@H](CNS(=O)(=O)C1=CC=C2COCC2=C1)C(=O)[O-]	REAL300007985283	0	34	-1.0	-48.36	304.69	1.25	-47.11
CO[C@@H](CNS(=O)(=O)CC1=CC=CC2=CC=CN=C21)C(=O)[O-]	REAL300007985284	0	37	-1.0	-55.72	332.36	3.21	-52.51
CO[C@@H](CNS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300007985285	0	35	-1.0	-55.46	312.44	-1.61	-57.07
CO[C@@H](CNS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1)C(=O)[O-]	REAL300007985286	0	34	-1.0	-51.57	316.97	2.13	-49.44
CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(C)=C1	REAL300007985287	0	39	-1.0	-48.99	334.77	3.09	-45.90
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985288	0	37	-1.0	-57.23	345.11	-1.89	-59.12
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1OC(F)F)C(=O)[O-]	REAL300007985289	0	33	-1.0	-48.86	298.99	2.05	-46.81
CO[C@@H](CNS(=O)(=O)C1=CC=C(SC)C=C1)C(=O)[O-]	REAL300007985290	0	33	-1.0	-48.11	308.90	2.98	-45.13
CO[C@@H](CNS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007985291	0	35	-1.0	-52.08	331.20	3.66	-48.42
CCN(CC1=CC=CC=C1)S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985292	0	40	-1.0	-48.91	337.54	3.77	-45.14
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1OCCO2)C(=O)[O-]	REAL300007985293	0	35	-1.0	-50.66	303.22	1.52	-49.14
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=NC=CC=C21)C(=O)[O-]	REAL300007985294	0	34	-1.0	-51.02	304.61	2.40	-48.62
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1)C(=O)[O-]	REAL300007985295	0	41	-1.0	-51.70	362.43	3.94	-47.76
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C(=O)[O-]	REAL300007985296	0	35	-1.0	-50.10	322.91	3.47	-46.63
CO[C@@H](CNS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1)C(=O)[O-]	REAL300007985297	0	35	-1.0	-52.93	341.55	2.69	-50.24
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1)C(=O)[O-]	REAL300007985298	0	38	-1.0	-49.26	333.32	3.54	-45.72
CO[C@@H](CNS(=O)(=O)C1=CN=C2C(=C1)C(C)=NN2C)C(=O)[O-]	REAL300007985299	0	37	-1.0	-51.61	334.80	1.67	-49.94
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985300	0	36	-1.0	-51.54	337.36	2.56	-48.98
COCC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985301	0	36	-1.0	-49.48	323.55	1.66	-47.82
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1OC(C)(C)C2)C(=O)[O-]	REAL300007985302	0	40	-1.0	-53.17	332.20	2.98	-50.19
CO[C@@H](CNS(=O)(=O)CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007985303	0	32	-1.0	-50.01	306.05	3.11	-46.90
CO[C@@H](CNS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1)C(=O)[O-]	REAL300007985304	0	41	-1.0	-64.48	365.31	0.47	-64.01
CO[C@@H](CNS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007985305	0	36	-1.0	-49.19	338.25	2.46	-46.73
COC1=CC(OC)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1Br	REAL300007985306	0	37	-1.0	-48.12	338.87	1.75	-46.37
CO[C@@H](CNS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(=O)[O-]	REAL300007985307	0	37	-1.0	-51.76	330.58	2.61	-49.15
CO[C@@H](CNS(=O)(=O)CC1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300007985308	0	32	-1.0	-50.80	319.52	3.56	-47.24
CO[C@@H](CNS(=O)(=O)C1=CC=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007985309	0	37	-1.0	-49.21	325.56	2.56	-46.65
CCC1=CC=CC(CC)=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985310	0	41	-1.0	-47.83	325.81	5.15	-42.68
CO[C@@H](CNS(=O)(=O)C1=CC(C)=CC(S(C)(=O)=O)=C1C)C(=O)[O-]	REAL300007985311	0	41	-1.0	-52.95	356.19	0.94	-52.01
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C(=O)[O-]	REAL300007985312	0	40	-1.0	-49.11	374.14	5.31	-43.80
CO[C@@H](CNS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1)C(=O)[O-]	REAL300007985313	0	35	-1.0	-49.86	334.91	2.61	-47.25
CO[C@@H](CNS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1)C(=O)[O-]	REAL300007985314	0	35	-1.0	-52.67	351.87	3.14	-49.53
CO[C@@H](CNS(=O)(=O)C1=CC=C(C2=COC(C)=N2)C=C1)C(=O)[O-]	REAL300007985315	0	38	-1.0	-51.89	345.09	1.01	-50.88
CO[C@@H](CNS(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300007985316	0	32	-1.0	-50.16	307.96	0.91	-49.25
CO[C@@H](CNS(=O)(=O)C1=CC=C2OCOC2=C1)C(=O)[O-]	REAL300007985317	0	32	-1.0	-48.46	294.53	0.60	-47.86
CO[C@@H](CNS(=O)(=O)C1=CC=C2OCCCC2=C1)C(=O)[O-]	REAL300007985318	0	37	-1.0	-49.19	322.18	2.57	-46.62
CO[C@@H](CNS(=O)(=O)C1=CN(C2=CC=C(C)C=C2)N=C1)C(=O)[O-]	REAL300007985319	0	39	-1.0	-50.13	350.46	3.73	-46.40
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=C2OC(C)CC2=C1)C(=O)[O-]	REAL300007985320	0	37	-1.0	-47.61	342.49	3.07	-44.54
CO[C@@H](CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C(C)=C1)C(=O)[O-]	REAL300007985321	0	34	-1.0	-47.38	312.71	3.13	-44.25
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=N1	REAL300007985322	0	40	-1.0	-56.12	356.23	2.70	-53.42
CO[C@@H](CNS(=O)(=O)C1=CN=C2C=CSC2=C1)C(=O)[O-]	REAL300007985323	0	31	-1.0	-49.35	300.71	1.44	-47.91
CO[C@@H](CNS(=O)(=O)C1=CC=C(N(C)C)C=C1)C(=O)[O-]	REAL300007985324	0	37	-1.0	-50.14	319.82	2.35	-47.79
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=C(C)C=C2C=C1)C(=O)[O-]	REAL300007985325	0	38	-1.0	-50.37	336.01	4.89	-45.48
CO[C@@H](CNS(=O)(=O)C1=CC=CC(N(C)C)=C1)C(=O)[O-]	REAL300007985326	0	37	-1.0	-49.83	320.24	2.35	-47.48
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1OCC2)C(=O)[O-]	REAL300007985327	0	34	-1.0	-53.46	298.43	1.81	-51.65
CO[C@@H](CNS(=O)(=O)CC1=NOC2=CC=CC=C21)C(=O)[O-]	REAL300007985328	0	34	-1.0	-53.00	315.82	2.02	-50.98
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCOC2=C1)C(=O)[O-]	REAL300007985329	0	34	-1.0	-49.48	304.29	1.78	-47.70
CO[C@@H](CNS(=O)(=O)CCC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007985330	0	35	-1.0	-49.62	330.70	3.98	-45.64
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCCN(C)C2=C1)C(=O)[O-]	REAL300007985331	0	41	-1.0	-50.37	342.94	2.51	-47.86
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1)C(=O)[O-]	REAL300007985332	0	31	-1.0	-48.86	303.45	1.18	-47.68
COC1=CC=CC(OC)=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985333	0	37	-1.0	-54.93	322.69	2.47	-52.46
CO[C@@H](CNS(=O)(=O)C1=CC(C)=CC([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007985334	0	37	-1.0	-47.73	327.37	4.03	-43.70
CO[C@@H](CNS(=O)(=O)C1=C(C)C=CC(C)=C1[N+](=O)[O-])C(=O)[O-]	REAL300007985335	0	37	-1.0	-61.24	323.38	4.89	-56.35
CO[C@@H](CNS(=O)(=O)C1=CC([N+](=O)[O-])=C(C)C=C1C)C(=O)[O-]	REAL300007985336	0	37	-1.0	-53.09	327.63	4.03	-49.06
COC1=CC=C(CCS(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985337	0	39	-1.0	-50.94	343.48	2.76	-48.18
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007985338	0	38	-1.0	-49.14	341.48	3.59	-45.55
COC1=CC(OC)=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985339	0	37	-1.0	-51.34	327.69	0.56	-50.78
CO[C@@H](CNS(=O)(=O)CCC1=CC=C(C)C=C1)C(=O)[O-]	REAL300007985340	0	38	-1.0	-49.88	335.38	4.14	-45.74
CO[C@@H](CNS(=O)(=O)C1=CC2=C(C=C1C)OCO2)C(=O)[O-]	REAL300007985341	0	35	-1.0	-50.26	309.42	1.52	-48.74
COC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1Cl	REAL300007985342	0	33	-1.0	-47.24	314.24	1.81	-45.43
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(=C1)N=CN2C)C(=O)[O-]	REAL300007985343	0	35	-1.0	-53.98	316.76	3.29	-50.69
CO[C@@H](CNS(=O)(=O)C1=C(C)C=CC2=CC=CN=C21)C(=O)[O-]	REAL300007985344	0	37	-1.0	-58.66	322.52	3.76	-54.90
CO[C@@H](CNS(=O)(=O)C1=CC=C2N=C(C)OC2=C1)C(=O)[O-]	REAL300007985345	0	34	-1.0	-51.68	312.36	-0.39	-52.07
CCC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1CC	REAL300007985346	0	41	-1.0	-48.74	345.77	4.52	-44.22
CO[C@@H](CNS(=O)(=O)C1=C(C)C=C([N+](=O)[O-])C=C1C)C(=O)[O-]	REAL300007985347	0	37	-1.0	-45.40	319.63	3.97	-41.43
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985348	0	39	-1.0	-52.02	332.28	3.71	-48.31
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CN=C1N)C(=O)[O-]	REAL300007985349	0	30	-1.0	-47.67	290.89	-0.17	-47.84
CO[C@@H](CNS(=O)(=O)C1=CC=C(N(C)C)N=C1)C(=O)[O-]	REAL300007985350	0	36	-1.0	-51.30	317.11	1.81	-49.49
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1C1=CC=NO1)C(=O)[O-]	REAL300007985351	0	35	-1.0	-51.59	299.72	3.17	-48.42
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1OCO2)C(=O)[O-]	REAL300007985352	0	32	-1.0	-51.92	289.05	0.50	-51.42
CO[C@@H](CNS(=O)(=O)C1=CC(C)=C(F)C(C)=C1)C(=O)[O-]	REAL300007985353	0	35	-1.0	-46.79	315.52	3.28	-43.51
CO[C@@H](CNS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1)C(=O)[O-]	REAL300007985354	0	36	-1.0	-51.39	324.48	1.70	-49.69
CO[C@@H](CNS(=O)(=O)CCCOCC1=CC=CC=C1)C(=O)[O-]	REAL300007985355	0	42	-1.0	-51.93	369.49	3.52	-48.41
CO[C@@H](CNS(=O)(=O)C1=CNC2=CC=CC(F)=C21)C(=O)[O-]	REAL300007985356	0	33	-1.0	-54.56	307.15	2.01	-52.55
CO[C@@H](CNS(=O)(=O)C1=C2N=CSC2=CC=C1)C(=O)[O-]	REAL300007985357	0	31	-1.0	-54.82	292.83	1.71	-53.11
CO[C@@H](CNS(=O)(=O)CC1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300007985358	0	32	-1.0	-49.50	309.20	3.19	-46.31
CO[C@@H](CNS(=O)(=O)C1=CC=C(Cl)C(C)=C1)C(=O)[O-]	REAL300007985359	0	32	-1.0	-46.65	303.95	3.05	-43.60
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCC(=O)C2=C1)C(=O)[O-]	REAL300007985360	0	35	-1.0	-58.62	316.83	2.94	-55.68
CO[C@@H](CNS(=O)(=O)C1=CC=C(C2=NC(C)=CS2)C=C1)C(=O)[O-]	REAL300007985361	0	38	-1.0	-50.79	354.96	3.42	-47.37
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1OCCC2)C(=O)[O-]	REAL300007985362	0	37	-1.0	-51.13	311.86	3.13	-48.00
CO[C@@H](CNS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1)C(=O)[O-]	REAL300007985363	0	36	-1.0	-55.82	333.81	-0.19	-56.01
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1OCCCO2)C(=O)[O-]	REAL300007985364	0	38	-1.0	-54.17	322.68	2.26	-51.91
CO[C@@H](CNS(=O)(=O)CC1=CC(F)=CC=C1Cl)C(=O)[O-]	REAL300007985365	0	32	-1.0	-49.85	312.34	3.18	-46.67
CCCCCCCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985366	0	54	-1.0	-47.88	449.04	6.88	-41.00
CCCOC1=CC=C(Br)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985367	0	39	-1.0	-48.99	353.89	4.13	-44.86
CCC(C)OC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985368	0	42	-1.0	-48.92	358.51	3.60	-45.32
COC(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])C1CCCC1	REAL300007985369	0	42	-1.0	-49.71	341.56	2.34	-47.37
COC(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])C1CCCCC1	REAL300007985370	0	45	-1.0	-50.47	361.45	2.71	-47.76
CO[C@@H](CNS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1)C(=O)[O-]	REAL300007985371	0	43	-1.0	-48.93	386.19	5.31	-43.62
CCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(C)C	REAL300007985372	0	48	-1.0	-47.92	400.17	5.00	-42.92
CCC1=NC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CN1CC1CC1	REAL300007985373	0	42	-1.0	-57.61	367.42	3.89	-53.72
CO[C@@H](CNS(=O)(=O)C1=CN=C(C2CC2)S1)C(=O)[O-]	REAL300007985374	0	32	-1.0	-48.01	308.45	1.46	-46.55
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C([N+](=O)[O-])=C1C)C(=O)[O-]	REAL300007985375	0	37	-1.0	-48.65	331.63	4.42	-44.23
CO[C@@H](CNS(=O)(=O)C1=C(C2CC2)C=NN1C)C(=O)[O-]	REAL300007985376	0	36	-1.0	-47.47	315.26	1.83	-45.64
CO[C@@H](CNS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1)C(=O)[O-]	REAL300007985377	0	42	-1.0	-47.35	370.76	4.14	-43.21
CO[C@@H](CNS(=O)(=O)C1=CC(C(F)(F)F)=NN1C)C(=O)[O-]	REAL300007985378	0	32	-1.0	-46.89	310.10	0.56	-46.33
CO[C@@H](CNS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007985379	0	40	-1.0	-48.29	369.29	6.05	-42.24
CO[C@@H](CNS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3)C(=O)[O-]	REAL300007985380	0	39	-1.0	-52.98	334.58	5.36	-47.62
CO[C@@H](CNS(=O)(=O)C1=CC(C)=C(OCC2=CC=CC=C2)C(C)=C1)C(=O)[O-]	REAL300007985381	0	49	-1.0	-49.83	423.83	6.84	-42.99
CCC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C(C)C=C1OC	REAL300007985382	0	42	-1.0	-49.83	355.46	3.52	-46.31
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1)C(=O)[O-]	REAL300007985383	0	35	-1.0	-46.53	339.90	3.83	-42.70
CO[C@@H](CNS(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300007985384	1	31	-1.0	-55.62	295.80	0.95	-54.67
CO[C@@H](CNS(=O)(=O)C1=C(C)C=CC2=CC=CC=C21)C(=O)[O-]	REAL300007985385	0	38	-1.0	-52.53	319.22	5.00	-47.53
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC(C)C)N=C1)C(=O)[O-]	REAL300007985386	0	38	-1.0	-47.64	337.88	0.51	-47.13
COC1=C(F)C=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985387	0	33	-1.0	-48.87	302.93	1.94	-46.93
CCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(C)C	REAL300007985388	0	45	-1.0	-48.20	378.67	4.20	-44.00
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(C)(C)C)C(F)=C1)C(=O)[O-]	REAL300007985389	0	41	-1.0	-49.62	346.93	4.21	-45.41
CO[C@@H](CNS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1)C(=O)[O-]	REAL300007985390	0	48	-1.0	-50.12	394.33	6.48	-43.64
CO[C@@H](CNS(=O)(=O)C1=C2CCCCC2=NN1C)C(=O)[O-]	REAL300007985391	0	39	-1.0	-47.95	327.68	1.98	-45.97
CO[C@@H](CNS(=O)(=O)C1=CN(C)N=C1C(C)(C)C)C(=O)[O-]	REAL300007985392	0	41	-1.0	-50.58	339.04	2.25	-48.33
CO[C@@H](CNS(=O)(=O)C1=CN(C2CCCC2)N=C1)C(=O)[O-]	REAL300007985393	0	39	-1.0	-48.18	336.12	2.30	-45.88
CO[C@@H](CNS(=O)(=O)C1=C(C(F)(F)F)C=NN1C)C(=O)[O-]	REAL300007985394	0	32	-1.0	-48.95	294.76	0.54	-48.41
COC1=CC=C(F)C=C1CS(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985395	0	36	-1.0	-51.91	327.04	2.10	-49.81
C=CCCC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985396	0	39	-1.0	-48.38	345.90	4.74	-43.64
CCCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(C)C	REAL300007985397	0	51	-1.0	-47.84	421.67	5.79	-42.05
CO[C@@H](CNS(=O)(=O)C=CC1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300007985398	0	33	-1.0	-48.07	317.13	3.64	-44.43
CCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(C)(C)C	REAL300007985399	0	51	-1.0	-49.14	412.73	5.67	-43.47
CCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1CC	REAL300007985400	0	45	-1.0	-48.05	383.25	4.47	-43.58
CO[C@@H](CNS(=O)(=O)C1=C(C)C=C(Cl)C=C1C)C(=O)[O-]	REAL300007985401	0	35	-1.0	-45.74	311.55	3.94	-41.80
CO[C@@H](CNS(=O)(=O)CC1=CC=C(Br)C=C1C)C(=O)[O-]	REAL300007985402	0	35	-1.0	-48.72	328.10	3.93	-44.79
CO[C@@H](CNS(=O)(=O)C=CC1=CC=CC=C1Cl)C(=O)[O-]	REAL300007985403	0	33	-1.0	-49.11	314.86	3.56	-45.55
CCCC1=CC=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985404	0	38	-1.0	-48.88	321.56	4.49	-44.39
CO[C@@H](CNS(=O)(=O)C1=C(C)N(CC2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007985405	0	45	-1.0	-48.60	383.03	4.71	-43.89
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=CC=NC=C21)C(=O)[O-]	REAL300007985406	0	34	-1.0	-52.53	304.90	2.50	-50.03
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2=CC=C(SC)C=C2)C=C1)C(=O)[O-]	REAL300007985407	0	44	-1.0	-48.75	397.58	5.82	-42.93
CO[C@@H](CNS(=O)(=O)C1=CN(C2CCC2)N=C1)C(=O)[O-]	REAL300007985408	0	36	-1.0	-51.45	318.39	1.62	-49.83
CO[C@@H](CNS(=O)(=O)C1=CC=NN1C1CCC1)C(=O)[O-]	REAL300007985409	0	36	-1.0	-47.33	316.00	1.84	-45.49
CO[C@@H](CNS(=O)(=O)C1=CC=NN1CC1CCC1)C(=O)[O-]	REAL300007985410	0	39	-1.0	-47.49	337.90	2.56	-44.93
CO[C@@H](CNS(=O)(=O)C1=C2OCC(C)(C)CN2N=C1)C(=O)[O-]	REAL300007985411	0	40	-1.0	-50.49	339.41	-0.01	-50.50
CO[C@@H](CNS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1)C(=O)[O-]	REAL300007985412	0	35	-1.0	-49.73	335.55	2.86	-46.87
CO[C@@H](CNS(=O)(=O)C1=CN=C2CCCCN12)C(=O)[O-]	REAL300007985413	0	36	-1.0	-51.99	310.25	2.05	-49.94
CCCCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(C)C	REAL300007985414	0	54	-1.0	-47.76	443.17	6.57	-41.19
COC1=CC(C(C)C)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C	REAL300007985415	0	45	-1.0	-50.07	372.19	4.09	-45.98
CO[C@@H](CNS(=O)(=O)C1=CC(F)=CC=C1OC(C)C)C(=O)[O-]	REAL300007985416	0	39	-1.0	-49.27	333.69	3.34	-45.93
CCOCCOC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C(C)C	REAL300007985417	0	52	-1.0	-49.69	434.15	4.42	-45.27
CO[C@@H](CNS(=O)(=O)C1=CC=CC2=C1OC(C)C2)C(=O)[O-]	REAL300007985418	0	37	-1.0	-53.69	319.19	2.56	-51.13
CO[C@@H](CNS(=O)(=O)C1=CN=C(C(C)(C)C)S1)C(=O)[O-]	REAL300007985419	0	37	-1.0	-47.57	337.16	1.61	-45.96
CO[C@@H](CNS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2)C(=O)[O-]	REAL300007985420	0	35	-1.0	-52.30	320.98	2.52	-49.78
CO[C@@H](CNS(=O)(=O)C1=C2N=CC=CN2N=C1C)C(=O)[O-]	REAL300007985421	0	34	-1.0	-58.74	310.23	1.52	-57.22
CO[C@@H](CNS(=O)(=O)C1=CNC2=CC(Br)=CC=C21)C(=O)[O-]	REAL300007985422	0	33	-1.0	-53.43	316.44	2.19	-51.24
CO[C@@H](CNS(=O)(=O)C1=CC2=NON=C2C=C1)C(=O)[O-]	REAL300007985423	0	30	-1.0	-45.70	283.60	0.74	-44.96
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2S1)C(=O)[O-]	REAL300007985424	0	32	-1.0	-51.50	307.56	3.38	-48.12
CO[C@@H](CNS(=O)(=O)C1=CC(C2CC2)=NN1C)C(=O)[O-]	REAL300007985425	0	36	-1.0	-48.12	320.43	1.66	-46.46
CO[C@@H](CNS(=O)(=O)C1=C(C)C=C(C)C(F)=C1C)C(=O)[O-]	REAL300007985426	0	38	-1.0	-48.61	316.63	3.97	-44.64
COC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1OC	REAL300007985427	0	37	-1.0	-51.08	325.91	1.74	-49.34
CO[C@@H](CNS(=O)(=O)C1=CN(C)N=C1C1CCCC1)C(=O)[O-]	REAL300007985428	0	42	-1.0	-51.26	340.36	2.16	-49.10
CO[C@@H](CNS(=O)(=O)C1=C(C)N(C(C)C)N=C1C)C(=O)[O-]	REAL300007985429	0	41	-1.0	-48.22	347.66	2.55	-45.67
CCCCN1C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(C)=N1	REAL300007985430	0	41	-1.0	-50.44	356.67	2.69	-47.75
CO[C@@H](CNS(=O)(=O)C1=CN(C)N=C1C1CC1)C(=O)[O-]	REAL300007985431	0	36	-1.0	-50.96	324.06	1.85	-49.11
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC(F)F)C=C1)C(=O)[O-]	REAL300007985432	0	33	-1.0	-51.42	307.96	1.53	-49.89
CO[C@@H](CNS(=O)(=O)C1=C2N=NN(C)C2=CC=C1)C(=O)[O-]	REAL300007985433	0	34	-1.0	-65.77	306.99	0.37	-65.40
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=C(C)C=C1C)C(=O)[O-]	REAL300007985434	0	35	-1.0	-49.24	322.91	4.05	-45.19
CO[C@@H](CNS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1)C(=O)[O-]	REAL300007985435	0	35	-1.0	-46.76	336.93	3.09	-43.67
CO[C@@H](CNS(=O)(=O)C1=CN(C)N=C1C1CCC1)C(=O)[O-]	REAL300007985436	0	39	-1.0	-50.61	340.53	2.33	-48.28
CO[C@@H](CNS(=O)(=O)C1=CC(C(C)C)=CC=C1C(C)C)C(=O)[O-]	REAL300007985437	0	47	-1.0	-49.59	382.67	5.96	-43.63
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1)C(=O)[O-]	REAL300007985438	0	35	-1.0	-46.41	339.69	3.82	-42.59
CO[C@@H](CNS(=O)(=O)C1=CN(CC2CCC2)N=C1)C(=O)[O-]	REAL300007985439	0	39	-1.0	-49.06	342.46	2.58	-46.48
CO[C@@H](CNS(=O)(=O)C1=C(C2CC2)C=CS1)C(=O)[O-]	REAL300007985440	0	33	-1.0	-49.93	305.46	3.15	-46.78
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1)C(=O)[O-]	REAL300007985441	0	40	-1.0	-49.38	357.97	4.76	-44.62
COC1=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007985442	0	38	-1.0	-62.44	334.15	3.17	-59.27
CCCC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985443	0	38	-1.0	-48.32	332.88	4.15	-44.17
CO[C@@H](CNS(=O)(=O)C1=C2CCCC2=NN1C)C(=O)[O-]	REAL300007985444	0	36	-1.0	-48.85	314.43	1.47	-47.38
CO[C@@H](CNS(=O)(=O)C1=CC=NN1C(C)(C)C)C(=O)[O-]	REAL300007985445	0	38	-1.0	-46.92	310.68	1.54	-45.38
CO[C@@H](CNS(=O)(=O)C1=CN(C(C)(C)C)N=C1)C(=O)[O-]	REAL300007985446	0	38	-1.0	-48.84	332.99	1.65	-47.19
CO[C@@H](CNS(=O)(=O)C1=CNN=C1C1CCC1)C(=O)[O-]	REAL300007985447	0	36	-1.0	-49.68	300.00	0.34	-49.34
CO[C@@H](CNS(=O)(=O)C1=CN=C(C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300007985448	0	34	-1.0	-45.87	319.41	1.76	-44.11
CO[C@@H](CNS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300007985449	0	32	-1.0	-45.65	313.84	3.02	-42.63
CCCC(=O)C1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985450	0	40	-1.0	-53.00	353.29	3.99	-49.01
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2CCC1)C(=O)[O-]	REAL300007985451	0	40	-1.0	-49.59	338.12	4.98	-44.61
CO[C@@H](CNS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1)C(=O)[O-]	REAL300007985452	0	35	-1.0	-47.90	331.18	2.99	-44.91
CO[C@@H](CNS(=O)(=O)N1CC2=CC=CC=C2C1)C(=O)[O-]	REAL300007985453	0	35	-1.0	-48.47	311.16	2.40	-46.07
CO[C@@H](CNS(=O)(=O)CC1=NOC2=C1COCC2)C(=O)[O-]	REAL300007985454	0	36	-1.0	-55.38	321.56	0.31	-55.07
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)OC)C=C1)C(=O)[O-]	REAL300007985455	0	39	-1.0	-47.99	364.89	2.72	-45.27
CO[C@@H](CNS(=O)(=O)C1=CSC=C1C(F)(F)F)C(=O)[O-]	REAL300007985456	0	29	-1.0	-47.59	287.81	2.33	-45.26
CO[C@@H](CNS(=O)(=O)C1=CC=NN1C1CCCC1)C(=O)[O-]	REAL300007985457	0	39	-1.0	-47.70	328.64	2.24	-45.46
CCC(C)N1N=CC=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985458	0	38	-1.0	-47.41	328.44	1.83	-45.58
CO[C@@H](CNS(=O)(=O)N(C)C1CCCCCC1)C(=O)[O-]	REAL300007985459	0	43	-1.0	-48.05	334.00	2.74	-45.31
CO[C@@H](CNS(=O)(=O)C1=CN(C)N=C1C1CCOCC1)C(=O)[O-]	REAL300007985460	0	43	-1.0	-50.72	367.20	1.08	-49.64
CO[C@@H](CNS(=O)(=O)C1=CC=CC(C(C)(F)F)=C1)C(=O)[O-]	REAL300007985461	0	35	-1.0	-48.33	321.70	3.47	-44.86
CO[C@@H](CNS(=O)(=O)C1=CC=CC(OC(F)F)=C1)C(=O)[O-]	REAL300007985462	0	33	-1.0	-49.64	307.74	1.52	-48.12
CO[C@@H](CNS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1)C(=O)[O-]	REAL300007985463	0	44	-1.0	-48.02	364.23	4.62	-43.40
CO[C@@H](CNS(=O)(=O)C1=C(C)C=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007985464	0	40	-1.0	-58.33	339.90	4.23	-54.10
CO[C@@H](CNS(=O)(=O)N1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300007985465	0	37	-1.0	-47.56	324.02	2.07	-45.49
CCOCC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985466	0	39	-1.0	-49.38	345.41	2.63	-46.75
CO[C@@H](CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007985467	0	32	-1.0	-49.37	327.77	3.95	-45.42
CO[C@@H](CNS(=O)(=O)C1=CC(C2=CC=CC=C2)=NN1C)C(=O)[O-]	REAL300007985468	0	39	-1.0	-49.18	350.37	3.03	-46.15
CO[C@@H](CNS(=O)(=O)C1=CN(C2CCCCC2)N=C1)C(=O)[O-]	REAL300007985469	0	42	-1.0	-48.05	355.10	2.89	-45.16
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300007985470	0	40	-1.0	-48.50	357.16	4.79	-43.71
CO[C@@H](CNS(=O)(=O)C1=CC(C)=C(Br)C(C)=C1)C(=O)[O-]	REAL300007985471	0	35	-1.0	-46.88	326.19	3.69	-43.19
CO[C@@H](CNS(=O)(=O)C1=CC2=C(Br)C=CC=C2S1)C(=O)[O-]	REAL300007985472	0	32	-1.0	-49.37	327.77	3.95	-45.42
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C2=CC=CC=C21)C(=O)[O-]	REAL300007985473	0	38	-1.0	-52.18	327.43	4.84	-47.34
CO[C@@H](CNS(=O)(=O)C1=CN(C)N=C1C1=CC=CC=C1)C(=O)[O-]	REAL300007985474	0	39	-1.0	-50.36	335.71	2.85	-47.51
CO[C@@H](CNS(=O)(=O)C=CC1=CC=C(F)C=C1)C(=O)[O-]	REAL300007985475	0	33	-1.0	-49.27	307.03	3.20	-46.07
CO[C@@H](CNS(=O)(=O)C=CC1=CC=CC(Br)=C1)C(=O)[O-]	REAL300007985476	0	33	-1.0	-47.96	321.69	3.74	-44.22
CO[C@@H](CNS(=O)(=O)C=CC1=CC=C(Br)C=C1)C(=O)[O-]	REAL300007985477	0	33	-1.0	-48.71	321.91	3.76	-44.95
CO[C@@H](CNS(=O)(=O)CCC1NC(=O)NC1=O)C(=O)[O-]	REAL300007985478	0	34	-1.0	-55.75	311.92	-4.10	-59.85
CO[C@@H](CNS(=O)(=O)C1CCC(F)(F)CC1)C(=O)[O-]	REAL300007985479	0	35	-1.0	-49.12	305.32	2.46	-46.66
CO[C@@H](CNS(=O)(=O)C1=CC=C2SC=NC2=C1)C(=O)[O-]	REAL300007985480	0	31	-1.0	-49.66	299.43	1.34	-48.32
CO[C@@H](CNS(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300007985481	0	38	-1.0	-55.64	342.59	1.15	-54.49
CO[C@@H](CNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	REAL300007985482	0	46	-1.0	-49.12	345.71	4.84	-44.28
CO[C@@H](CNS(=O)(=O)CC1CS(=O)(=O)C1)C(=O)[O-]	REAL300007985483	0	32	-1.0	-56.59	299.70	-2.36	-58.95
CO[C@@H](CNS(=O)(=O)CC(C)(C)C(C)(F)F)C(=O)[O-]	REAL300007985484	0	37	-1.0	-49.41	307.71	2.42	-46.99
CO[C@@H](CNS(=O)(=O)CCCCS(C)(=O)=O)C(=O)[O-]	REAL300007985485	0	37	-1.0	-60.40	339.19	-1.23	-61.63
CO[C@@H](CNS(=O)(=O)CC1CCC(C)(C)CO1)C(=O)[O-]	REAL300007985486	0	42	-1.0	-51.70	343.43	2.10	-49.60
CO[C@@H](CNS(=O)(=O)CC1=CC=CC2=NSN=C21)C(=O)[O-]	REAL300007985487	0	33	-1.0	-57.04	316.69	0.99	-56.05
CO[C@@H](CNS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)C(=O)[O-]	REAL300007985488	0	39	-1.0	-50.78	350.65	4.82	-45.96
CO[C@@H](CNS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1)C(=O)[O-]	REAL300007985489	0	38	-1.0	-53.86	322.74	-0.61	-54.47
CO[C@@H](CNS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-]	REAL300007985490	0	42	-1.0	-48.75	336.46	3.97	-44.78
CO[C@@H](CNS(=O)(=O)C1=CC=C(C2CC2)S1)C(=O)[O-]	REAL300007985491	0	33	-1.0	-49.54	312.53	3.26	-46.28
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)C(=O)[O-]	REAL300007985492	0	51	-1.0	-49.45	398.29	6.13	-43.32
COC1=CC=C(C=C(C)S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1	REAL300007985493	0	40	-1.0	-49.48	342.05	2.82	-46.66
COC1=CSC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1OC	REAL300007985494	0	34	-1.0	-49.32	317.50	-0.18	-49.50
CO[C@@H](CNS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-]	REAL300007985495	0	41	-1.0	-47.66	328.56	2.43	-45.23
CO[C@@H](CNS(=O)(=O)N(C)CCC1=CC=CC=C1)C(=O)[O-]	REAL300007985496	0	40	-1.0	-48.09	348.45	3.85	-44.24
CO[C@@H](CNS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F)C(=O)[O-]	REAL300007985497	0	33	-1.0	-49.97	317.19	2.70	-47.27
COC1=CC(F)=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(F)=C1	REAL300007985498	0	33	-1.0	-49.89	306.69	1.53	-48.36
CO[C@@H](CNS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1)C(=O)[O-]	REAL300007985499	0	33	-1.0	-52.33	314.20	1.60	-50.73
CO[C@@H](CNS(=O)(=O)C1=C2C=CC=CC2=NN1C)C(=O)[O-]	REAL300007985500	0	35	-1.0	-50.27	312.11	1.95	-48.32
CO[C@@H](CNS(=O)(=O)C1=CC=C2C(=C1)C=CN2C)C(=O)[O-]	REAL300007985501	0	36	-1.0	-52.23	322.19	3.70	-48.53
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1)C(=O)[O-]	REAL300007985502	0	38	-1.0	-48.34	347.37	2.43	-45.91
CO[C@@H](CNS(=O)(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C)C(=O)[O-]	REAL300007985503	0	42	-1.0	-52.52	362.28	4.35	-48.17
CO[C@@H](CNS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007985504	0	40	-1.0	-49.44	357.40	4.79	-44.65
CO[C@@H](CNS(=O)(=O)C1=CC=CC=C1C(C)(F)F)C(=O)[O-]	REAL300007985505	0	35	-1.0	-53.56	305.40	3.96	-49.60
CO[C@@H](CNS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21)C(=O)[O-]	REAL300007985506	0	30	-1.0	-52.03	303.66	0.81	-51.22
C=C(C)COC1=CC=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985507	0	40	-1.0	-49.21	352.12	3.57	-45.64
CCN1C=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(C2CC2)=N1	REAL300007985508	0	39	-1.0	-50.83	332.46	2.16	-48.67
CO[C@@H](CNS(=O)(=O)C1=C(C)C=CC2=NSN=C21)C(=O)[O-]	REAL300007985509	0	33	-1.0	-56.78	306.72	1.34	-55.44
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1)C(=O)[O-]	REAL300007985510	0	35	-1.0	-48.76	331.35	4.73	-44.03
CO[C@@H](CNS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300007985511	0	39	-1.0	-48.57	359.41	5.88	-42.69
CO[C@@H](CNS(=O)(=O)C1=CSC(C(F)(F)F)=N1)C(=O)[O-]	REAL300007985512	0	28	-1.0	-46.74	296.05	-0.07	-46.81
CCC1=CC(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=CC=C1Br	REAL300007985513	0	35	-1.0	-46.59	327.75	3.83	-42.76
CO[C@@H](CNS(=O)(=O)C1=CC(C)=NN1C1CCCC1)C(=O)[O-]	REAL300007985514	0	42	-1.0	-47.90	355.48	3.14	-44.76
COCCC1=CC=C(OC)C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])=C1	REAL300007985515	0	43	-1.0	-50.67	365.81	2.28	-48.39
CO[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl)C(=O)[O-]	REAL300007985516	0	35	-1.0	-52.48	316.06	4.25	-48.23
CO[C@@H](CNS(=O)(=O)C1=C2COCCC2=NN1C)C(=O)[O-]	REAL300007985517	0	37	-1.0	-49.56	319.14	-0.37	-49.93
CO[C@@H](CNS(=O)(=O)C1=CC(Br)=C2OCCOC2=C1)C(=O)[O-]	REAL300007985518	0	35	-1.0	-50.07	333.55	1.78	-48.29
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1)C(=O)[O-]	REAL300007985519	0	44	-1.0	-49.99	370.59	2.33	-47.66
COC1=NC=C(Cl)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985520	0	32	-1.0	-47.47	303.85	-0.34	-47.81
COC1=NC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C=C1C	REAL300007985521	0	35	-1.0	-47.48	315.80	-0.64	-48.12
CO[C@@H](CNS(=O)(=O)C1=CN(CC(C)C)N=C1)C(=O)[O-]	REAL300007985522	0	38	-1.0	-51.75	331.67	2.11	-49.64
CO[C@@H](CNS(=O)(=O)C1=CN(C(C)C)N=C1C)C(=O)[O-]	REAL300007985523	0	38	-1.0	-50.17	332.36	1.66	-48.51
CO[C@@H](CNS(=O)(=O)N1CCN(CC(F)F)CC1)C(=O)[O-]	REAL300007985524	0	39	-1.0	-48.00	330.72	-0.27	-48.27
COCC1=CC(CS(=O)(=O)NC[C@H](OC)C(=O)[O-])=NO1	REAL300007985525	0	35	-1.0	-52.20	323.06	-0.17	-52.37
CO[C@@H](CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)C(=O)[O-]	REAL300007985526	0	34	-1.0	-49.52	321.88	4.19	-45.33
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(C)(C)C)C=N1)C(=O)[O-]	REAL300007985527	0	40	-1.0	-49.03	341.11	2.34	-46.69
CO[C@@H](CNS(=O)(=O)C1=CC=NN1CC1CC1)C(=O)[O-]	REAL300007985528	0	36	-1.0	-47.60	317.12	2.11	-45.49
CO[C@@H](CNS(=O)(=O)C1=CC=NN1C1=CC=CC=C1)C(=O)[O-]	REAL300007985529	0	36	-1.0	-50.85	319.88	3.24	-47.61
CO[C@@H](CNS(=O)(=O)C1=CC=C(C(F)F)C=N1)C(=O)[O-]	REAL300007985530	0	31	-1.0	-48.96	296.90	0.88	-48.08
CO[C@@H](CNS(=O)(=O)N1CCC2=CC=CN=C21)C(=O)[O-]	REAL300007985531	0	34	-1.0	-52.51	303.83	2.34	-50.17
CO[C@@H](CNS(=O)(=O)C1=C(C)N(C(C)C)N=C1)C(=O)[O-]	REAL300007985532	0	38	-1.0	-52.37	333.18	1.70	-50.67
CO[C@@H](CNS(=O)(=O)C1=CC=C(OC2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300007985533	0	43	-1.0	-49.23	378.30	5.52	-43.71
CO[C@@H](CNS(=O)(=O)C1=NC=CC2=CC=CC=C21)C(=O)[O-]	REAL300007985534	0	34	-1.0	-55.67	305.33	2.45	-53.22
CO[C@@H](CNS(=O)(=O)N1CC=C(Br)CC1)C(=O)[O-]	REAL300007985535	0	32	-1.0	-47.24	296.52	1.52	-45.72
CO[C@@H](CNS(=O)(=O)N(C)C1CCS(=O)(=O)C1)C(=O)[O-]	REAL300007985536	0	37	-1.0	-54.45	326.38	-2.25	-56.70
COC1=CC=C(S(=O)(=O)NC[C@H](OC)C(=O)[O-])C(C(F)F)=C1	REAL300007985537	0	36	-1.0	-48.27	322.50	2.48	-45.79
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985538	0	35	-1.0	-46.59	325.74	0.12	-46.47
CO[C@@H](CNS(=O)(=O)C1=CC=NC2=CC=CC=C21)C(=O)[O-]	REAL300007985539	0	34	-1.0	-50.67	305.32	2.39	-48.28
CCOC1=CC=CN=C1S(=O)(=O)NC[C@H](OC)C(=O)[O-]	REAL300007985540	0	35	-1.0	-54.24	313.38	1.23	-53.01
CO[C@@H](CNS(=O)(=O)C1=CC=C(C)C2=CC=CN=C21)C(=O)[O-]	REAL300007985541	0	37	-1.0	-56.87	318.45	3.60	-53.27
CO[C@@H](CNS(=O)(=O)C1=CC(C(F)F)=CC=N1)C(=O)[O-]	REAL300007985542	0	31	-1.0	-55.22	298.70	0.98	-54.24
CO[C@@H](CNS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C21)C(=O)[O-]	REAL300007985543	0	36	-1.0	-53.79	334.12	2.58	-51.21
CO[C@@H](CNS(=O)(=O)C1=CC(C)=CC=C1OC(C)C)C(=O)[O-]	REAL300007985544	0	42	-1.0	-50.78	347.47	3.93	-46.85
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007985545	0	32	-1.0	-48.17	322.25	6.94	-41.23
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007985546	0	32	-1.0	-53.49	316.03	6.57	-46.92
CN(CC1=CSC=C1Br)S(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007985547	0	29	-1.0	-57.18	300.19	5.91	-51.27
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300007985548	0	32	-1.0	-53.49	316.03	6.57	-46.92
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300007985549	0	32	-1.0	-48.17	322.25	6.94	-41.23
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007985550	0	32	-1.0	-63.61	308.06	7.28	-56.33
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CNC(C(=O)[O-])=C1	REAL300007985551	0	30	-1.0	-49.83	310.79	4.65	-45.18
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007985552	0	32	-1.0	-49.81	321.33	4.69	-45.12
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007985553	0	29	-1.0	-47.40	314.52	6.07	-41.33
CN(CC1=CSC=C1Br)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007985554	0	29	-1.0	-50.39	298.29	3.94	-46.45
CN(CC1=CSC=C1Br)S(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007985555	0	37	-1.0	-50.19	335.41	5.69	-44.50
CN(CC1=CSC=C1Br)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007985556	0	37	-1.0	-46.43	341.23	6.11	-40.32
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC=CC=C1C(=O)[O-]	REAL300007985557	0	32	-1.0	-63.61	308.06	7.28	-56.33
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007985558	0	29	-1.0	-51.28	300.78	4.94	-46.34
CC1=C(C(=O)[O-])C=C(S(=O)(=O)N(C)CC2=CSC=C2Br)O1	REAL300007985559	0	32	-1.0	-50.90	319.00	5.42	-45.48
CN(CC1=CSC=C1Br)S(=O)(=O)CCCC(=O)[O-]	REAL300007985560	0	31	-1.0	-50.52	301.80	4.84	-45.68
CN(CC1=CSC=C1Br)S(=O)(=O)N1CCCC1C(=O)[O-]	REAL300007985561	0	34	-1.0	-62.47	316.74	5.65	-56.82
CN(CC1=CSC=C1Br)S(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007985562	0	37	-1.0	-46.43	341.23	6.11	-40.32
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300007985563	0	29	-1.0	-51.28	300.78	4.94	-46.34
CN(CC1=CSC=C1Br)S(=O)(=O)CCCC(=O)[O-]	REAL300007985564	0	31	-1.0	-50.52	301.80	4.84	-45.68
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007985565	0	29	-1.0	-48.57	310.18	5.22	-43.35
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007985566	0	29	-1.0	-49.07	308.27	5.20	-43.87
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC(C(=O)[O-])=CO1	REAL300007985567	0	29	-1.0	-50.34	301.02	4.69	-45.65
CC1=C(S(=O)(=O)N(C)CC2=CSC=C2Br)C=C(C(=O)[O-])O1	REAL300007985568	0	32	-1.0	-52.01	318.67	5.84	-46.17
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300007985569	0	31	-1.0	-47.76	311.19	4.78	-42.98
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007985570	0	28	-1.0	-60.22	295.24	4.37	-55.85
CN(CC1=CSC=C1Br)S(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007985571	0	28	-1.0	-65.32	296.48	4.21	-61.11
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC=CN=C1C(=O)[O-]	REAL300007985572	0	31	-1.0	-64.29	302.83	5.44	-58.85
CN(CC1=CSC=C1Br)S(=O)(=O)CCCCCC(=O)[O-]	REAL300007985573	0	37	-1.0	-51.75	344.80	6.40	-45.35
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300007985574	0	31	-1.0	-49.59	313.02	4.40	-45.19
CN(CCC(=O)[O-])S(=O)(=O)N(C)CC1=CSC=C1Br	REAL300007985575	0	33	-1.0	-47.74	315.37	4.34	-43.40
CN(CC1=CSC=C1Br)S(=O)(=O)CC1(CC(=O)[O-])CC1	REAL300007985576	0	35	-1.0	-49.14	325.72	6.50	-42.64
CN(CC1=CSC=C1Br)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007985577	0	32	-1.0	-51.34	305.16	4.76	-46.58
CC1=C(C(=O)[O-])OC(S(=O)(=O)N(C)CC2=CSC=C2Br)=C1	REAL300007985578	0	32	-1.0	-52.32	319.48	5.52	-46.80
CN(CC1=CSC=C1Br)S(=O)(=O)C1=C(C(=O)[O-])C=CO1	REAL300007985579	0	29	-1.0	-51.40	299.09	5.75	-45.65
CN(CC1=CSC=C1Br)S(=O)(=O)C1(C(=O)[O-])CCC1	REAL300007985580	0	32	-1.0	-42.67	285.88	4.98	-37.69
CN(CC1=CSC=C1Br)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007985581	0	29	-1.0	-50.39	298.29	3.94	-46.45
CN(CC1=CSC=C1Br)S(=O)(=O)C1=C(C(=O)[O-])C=NN1C	REAL300007985582	0	32	-1.0	-51.34	305.16	4.76	-46.58
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300007985583	0	31	-1.0	-49.30	312.25	4.72	-44.58
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300007985584	0	31	-1.0	-55.13	318.22	5.15	-49.98
CN(CC1=CSC=C1Br)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007985585	0	29	-1.0	-45.17	299.50	2.84	-42.33
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CC(C(=O)[O-])=NN1C	REAL300007985586	0	32	-1.0	-52.73	314.11	3.79	-48.94
CN(CC1=CSC=C1Br)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300007985587	0	32	-1.0	-50.73	306.74	5.39	-45.34
CN(CC1=CSC=C1Br)S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300007985588	0	35	-1.0	-53.80	318.11	5.80	-48.00
CN(CC1=CSC=C1Br)S(=O)(=O)C[C@@H]1C[C@H]1C(=O)[O-]	REAL300007985589	0	32	-1.0	-56.06	313.17	5.95	-50.11
CN(CC1=CSC=C1Br)S(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007985590	0	37	-1.0	-52.48	320.90	6.00	-46.48
CN(CC1=CSC=C1Br)S(=O)(=O)C1=NNC(C(=O)[O-])=C1	REAL300007985591	0	29	-1.0	-45.17	299.50	2.84	-42.33
CN(CC1=CSC=C1Br)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	REAL300007985592	0	34	-1.0	-61.89	316.23	5.69	-56.20
CN(CC1=CSC=C1Br)S(=O)(=O)C1=NNC=C1C(=O)[O-]	REAL300007985593	0	29	-1.0	-50.39	298.29	3.94	-46.45
CN(CC1=CSC=C1Br)S(=O)(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300007985594	0	32	-1.0	-56.95	302.27	6.63	-50.32
CN(CC1=CSC=C1Br)S(=O)(=O)C1=CN=CC=C1C(=O)[O-]	REAL300007985595	0	31	-1.0	-54.31	299.90	5.36	-48.95
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985596	0	41	-1.0	-54.80	335.43	6.24	-48.56
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985597	0	42	-1.0	-54.49	340.82	5.25	-49.24
CC1=CC=C(S(=O)(=O)NCC2(C)CC2(C)C)C=C1C(=O)[O-]	REAL300007985598	0	41	-1.0	-51.65	336.12	5.93	-45.72
CC1(C)CC1(C)CNS(=O)(=O)C1=C(C(=O)[O-])SC=C1	REAL300007985599	0	35	-1.0	-46.10	304.87	5.08	-41.02
CC1(C)CC1(C)CNS(=O)(=O)C1=CN(CC(=O)[O-])N=C1	REAL300007985600	0	38	-1.0	-48.88	325.01	3.53	-45.35
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])S1	REAL300007985601	0	35	-1.0	-46.46	313.31	4.55	-41.91
CC1(C)CC1(C)CNS(=O)(=O)N1CCCC(C(=O)[O-])C1	REAL300007985602	0	43	-1.0	-47.45	335.80	4.42	-43.03
CC1(C)CC1(C)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007985603	0	43	-1.0	-50.35	338.64	4.58	-45.77
CC1(C)CC1(C)CNS(=O)(=O)C1=CC(Cl)=CC=C1C(=O)[O-]	REAL300007985604	0	38	-1.0	-42.80	326.22	6.68	-36.12
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C)CC2(C)C)O1	REAL300007985605	0	38	-1.0	-48.65	324.04	4.26	-44.39
CC1(C)CC1(C)CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007985606	0	41	-1.0	-56.78	344.23	6.13	-50.65
CC1(C)CC1(C)CNS(=O)(=O)N1CCC(C(=O)[O-])CC1	REAL300007985607	0	43	-1.0	-50.35	338.64	4.58	-45.77
CC1(C)CC1(C)CNS(=O)(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300007985608	0	41	-1.0	-58.38	345.38	6.15	-52.23
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300007985609	0	42	-1.0	-47.48	352.66	5.72	-41.76
COC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985610	0	42	-1.0	-45.11	360.55	6.30	-38.81
CC1(C)CC1(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CS1	REAL300007985611	0	35	-1.0	-48.66	313.63	4.44	-44.22
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(C)CC2(C)C)=C1C	REAL300007985612	0	44	-1.0	-56.04	353.22	6.74	-49.30
CC1=CC=CC(S(=O)(=O)NCC2(C)CC2(C)C)=C1C(=O)[O-]	REAL300007985613	0	41	-1.0	-54.68	338.20	6.39	-48.29
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(C)CC2(C)C)=C1	REAL300007985614	0	45	-1.0	-52.41	375.52	5.12	-47.29
CC1(C)CC1(C)CNS(=O)(=O)C1=CSC(C(=O)[O-])=C1	REAL300007985615	0	35	-1.0	-49.83	311.96	4.43	-45.40
CC1(C)CC1(C)CNS(=O)(=O)C1=CC(C(F)(F)F)=CC=C1C(=O)[O-]	REAL300007985616	0	41	-1.0	-41.28	348.18	7.16	-34.12
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985617	0	41	-1.0	-48.21	330.14	6.11	-42.10
CC1(C)CC1(C)CNS(=O)(=O)C1=C(C(=O)[O-])SC2=CC=CC=C21	REAL300007985618	0	41	-1.0	-51.69	348.11	7.72	-43.97
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300007985619	0	41	-1.0	-47.95	343.76	6.22	-41.73
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C)CC2(C)C)C=C1[N+](=O)[O-]	REAL300007985620	0	43	-1.0	-41.17	358.94	6.43	-34.74
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007985621	0	41	-1.0	-50.85	342.62	6.18	-44.67
CC1=C(S(=O)(=O)NCC2(C)CC2(C)C)C=C(C(=O)[O-])O1	REAL300007985622	0	38	-1.0	-52.11	325.56	4.42	-47.69
CC1(C)CC1(C)CNS(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300007985623	0	34	-1.0	-50.16	299.03	3.56	-46.60
CC1(C)CC1(C)CNS(=O)(=O)C1=C(C(=O)[O-])N=CS1	REAL300007985624	0	34	-1.0	-54.66	302.74	3.10	-51.56
CC1(C)CC1(C)CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007985625	0	38	-1.0	-46.52	337.77	5.93	-40.59
CC1(C)CC1(C)CNS(=O)(=O)C1=CC(Br)=CC(C(=O)[O-])=C1	REAL300007985626	0	38	-1.0	-46.52	342.34	6.03	-40.49
COC1=CC=C(S(=O)(=O)NCC2(C)CC2(C)C)C=C1C(=O)[O-]	REAL300007985627	0	42	-1.0	-56.97	347.73	5.48	-51.49
CC1=CC(S(=O)(=O)NCC2(C)CC2(C)C)=CC=C1C(=O)[O-]	REAL300007985628	0	41	-1.0	-47.10	336.01	5.94	-41.16
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])N=CC=C12	REAL300007985629	0	43	-1.0	-51.83	355.08	5.80	-46.03
COCC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2(C)CC2(C)C)=C1	REAL300007985630	0	45	-1.0	-52.41	375.52	5.12	-47.29
CC1(C)CC1(C)CNS(=O)(=O)C1=CC(Cl)=CC(C(=O)[O-])=C1	REAL300007985631	0	38	-1.0	-46.52	337.77	5.93	-40.59
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985632	0	38	-1.0	-50.17	319.55	5.88	-44.29
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985633	0	41	-1.0	-49.22	350.39	6.63	-42.59
CC1=C(C(=O)[O-])OC2=CC=C(S(=O)(=O)NCC3(C)CC3(C)C)C=C21	REAL300007985634	0	44	-1.0	-50.19	367.99	6.76	-43.43
CC1(C)CC1(C)CNS(=O)(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300007985635	0	41	-1.0	-56.78	344.23	6.13	-50.65
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985636	0	42	-1.0	-54.49	340.82	5.25	-49.24
CC1=CC=C(S(=O)(=O)NCC2(C)CC2(C)C)C=C1C(=O)[O-]	REAL300007985637	0	41	-1.0	-51.65	336.12	5.93	-45.72
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985638	0	41	-1.0	-54.80	335.43	6.24	-48.56
COC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985639	0	42	-1.0	-45.10	356.28	5.41	-39.69
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300007985640	0	41	-1.0	-50.85	342.62	6.18	-44.67
COC1=C(S(=O)(=O)NCC2(C)CC2(C)C)SC(C(=O)[O-])=C1	REAL300007985641	0	39	-1.0	-46.42	339.20	3.71	-42.71
CC1=C(Br)C=C(S(=O)(=O)NCC2(C)CC2(C)C)C=C1C(=O)[O-]	REAL300007985642	0	41	-1.0	-46.59	358.51	6.57	-40.02
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=C2OC(C(=O)[O-])CC2=C1	REAL300007985643	0	43	-1.0	-49.21	357.26	6.08	-43.13
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(F)(F)F)=C1	REAL300007985644	0	41	-1.0	-46.35	350.42	6.21	-40.14
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300007985645	0	45	-1.0	-52.07	367.72	7.33	-44.74
CCC1=C(S(=O)(=O)NCC2(C)CC2(C)C)C=C(C(=O)[O-])O1	REAL300007985646	0	41	-1.0	-51.78	345.66	5.27	-46.51
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(=O)[O-]	REAL300007985647	0	40	-1.0	-43.54	339.09	6.87	-36.67
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300007985648	0	41	-1.0	-49.87	358.91	6.92	-42.95
CC1(C)CC1(C)CNS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300007985649	0	40	-1.0	-38.25	338.12	6.86	-31.39
CC1=NC=C(S(=O)(=O)NCC2(C)CC2(C)C)C=C1C(=O)[O-]	REAL300007985650	0	40	-1.0	-45.20	331.80	4.10	-41.10
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985651	0	42	-1.0	-47.64	340.83	5.24	-42.40
COC1=CC(S(=O)(=O)NCC2(C)CC2(C)C)=CC=C1C(=O)[O-]	REAL300007985652	0	42	-1.0	-52.97	347.58	5.47	-47.50
COC1=CC=C(S(=O)(=O)NCC2(C)CC2(C)C)C(CC(=O)[O-])=C1	REAL300007985653	0	45	-1.0	-56.81	363.50	5.82	-50.99
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=C(CC(=O)[O-])C(F)=C1	REAL300007985654	0	41	-1.0	-48.08	348.05	6.22	-41.86
CC1(C)CC1(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300007985655	0	41	-1.0	-44.75	359.16	6.40	-38.35
CC(C)(C(=O)[O-])C1=CC=C(S(=O)(=O)NCC2(C)CC2(C)C)C=C1	REAL300007985656	0	47	-1.0	-49.34	375.35	7.10	-42.24
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985657	0	38	-1.0	-50.16	313.11	3.77	-46.39
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300007985658	0	44	-1.0	-49.95	358.53	7.59	-42.36
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2(C)CC2(C)C)=C1	REAL300007985659	0	38	-1.0	-49.29	323.77	4.38	-44.91
CC1(C)CC1(C)CNS(=O)(=O)C1=CC(Br)=CC=C1C(=O)[O-]	REAL300007985660	0	38	-1.0	-42.72	330.79	6.78	-35.94
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300007985661	0	38	-1.0	-50.02	332.81	5.79	-44.23
COC1=CC=C(C(=O)[O-])C(S(=O)(=O)NCC2(C)CC2(C)C)=C1	REAL300007985662	0	42	-1.0	-47.59	338.88	5.47	-42.12
COC1=CC(C=CC(=O)[O-])=CC(S(=O)(=O)NCC2(C)CC2(C)C)=C1OC	REAL300007985663	0	50	-1.0	-49.36	410.50	6.47	-42.89
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985664	0	38	-1.0	-50.16	313.11	3.77	-46.39
COCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985666	0	45	-1.0	-52.80	366.87	5.44	-47.36
CC1(C)CC1(C)CNS(=O)(=O)CC1=CC=CC=C1C(=O)[O-]	REAL300007985667	0	41	-1.0	-56.25	333.34	6.54	-49.71
CC1(C)CC1(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300007985668	0	35	-1.0	-44.99	320.10	4.06	-40.93
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C2=CC=CC=C21	REAL300007985669	0	44	-1.0	-50.12	358.18	7.61	-42.51
CCOC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985670	0	45	-1.0	-53.63	371.55	6.03	-47.60
COC1=CC=C(S(=O)(=O)NCC2(C)CC2(C)C)C(C(=O)[O-])=C1	REAL300007985671	0	42	-1.0	-50.32	340.19	5.47	-44.85
CN1N=C(C(=O)[O-])C=C1S(=O)(=O)NCC1(C)CC1(C)C	REAL300007985672	0	38	-1.0	-53.41	322.55	3.17	-50.24
CC1(C)CC1(C)CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])C=C2C=C1	REAL300007985673	0	44	-1.0	-50.95	366.35	7.67	-43.28
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2(C)CC2(C)C)S1	REAL300007985674	0	38	-1.0	-48.85	331.73	5.14	-43.71
CC1(C)CC1(C)CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1C(=O)[O-]	REAL300007985675	0	44	-1.0	-52.33	352.89	8.43	-43.90
CC1(C)CC1(C)CNS(=O)(=O)C1=CC(C(=O)[O-])=CC=C1C(F)(F)F	REAL300007985676	0	41	-1.0	-46.74	347.35	7.08	-39.66
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007985677	0	41	-1.0	-55.99	333.88	6.53	-49.46
CC1(C)CC1(C)CNS(=O)(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1	REAL300007985678	0	38	-1.0	-47.30	350.77	6.01	-41.29
CC1(C)CC1(C)CNS(=O)(=O)C1=C2C=CC=CN2C(C(=O)[O-])=N1	REAL300007985679	0	41	-1.0	-60.97	346.16	4.16	-56.81
CC1(C)CC1(C)CNS(=O)(=O)C1=C2C=CC(C(=O)[O-])=CN2C=N1	REAL300007985680	0	41	-1.0	-43.95	347.62	6.65	-37.30
CC1(C)CC1(C)CNS(=O)(=O)N1CCCCC1C(=O)[O-]	REAL300007985681	0	43	-1.0	-49.35	324.66	5.34	-44.01
CC1(C)CC1(C)CNS(=O)(=O)C1=C(C(=O)[O-])SC(Cl)=C1	REAL300007985682	0	35	-1.0	-40.91	317.57	5.68	-35.23
CC1=CC(S(=O)(=O)NCC2(C)CC2(C)C)=CN=C1C(=O)[O-]	REAL300007985683	0	40	-1.0	-50.28	332.67	4.14	-46.14
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=CC=C1CC(=O)[O-]	REAL300007985684	0	41	-1.0	-55.99	333.88	6.53	-49.46
CCOC1=CC=C(S(=O)(=O)NCC2(C)CC2(C)C)C=C1C(=O)[O-]	REAL300007985685	0	45	-1.0	-57.52	369.44	6.37	-51.15
CC1(C)CC1(C)CNS(=O)(=O)C1=CC=C2CC(C(=O)[O-])CC2=C1	REAL300007985686	0	45	-1.0	-48.57	365.90	7.29	-41.28
CC1(C)CC1(C)CNS(=O)(=O)C1=CC2=CC=C(C(=O)[O-])N=C2C=C1	REAL300007985687	0	43	-1.0	-54.33	362.20	5.79	-48.54
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=C1	REAL300007985688	0	47	-1.0	-50.55	372.67	3.57	-46.98
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=C1	REAL300007985689	0	47	-1.0	-54.54	372.74	3.51	-51.03
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985690	0	50	-1.0	-57.38	387.37	4.42	-52.96
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985691	0	51	-1.0	-57.65	393.13	3.33	-54.32
CC1=CC=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=C1C(=O)[O-]	REAL300007985692	0	50	-1.0	-53.99	388.77	4.04	-49.95
O=C([O-])C1=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=CS1	REAL300007985693	0	44	-1.0	-48.35	355.91	3.29	-45.06
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=C1	REAL300007985694	0	47	-1.0	-54.54	372.74	3.51	-51.03
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=C1	REAL300007985695	0	47	-1.0	-50.55	372.67	3.57	-46.98
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985696	0	47	-1.0	-54.01	361.96	4.43	-49.58
O=C([O-])C1=CC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=CN1	REAL300007985697	0	45	-1.0	-52.27	361.33	1.27	-51.00
O=C([O-])CN1C=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=N1	REAL300007985698	0	47	-1.0	-52.66	377.24	1.69	-50.97
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)S1	REAL300007985699	0	44	-1.0	-48.36	364.99	2.64	-45.72
O=C([O-])C1=CNN=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985700	0	44	-1.0	-53.81	348.84	0.55	-53.26
O=C([O-])C1CCCN(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C1	REAL300007985701	0	52	-1.0	-47.88	388.73	2.57	-45.31
O=C([O-])C1CCN(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)CC1	REAL300007985702	0	52	-1.0	-49.78	389.36	2.64	-47.14
O=C([O-])C1=CC=CC=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985703	0	47	-1.0	-54.01	361.96	4.43	-49.58
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)O1	REAL300007985704	0	44	-1.0	-50.03	357.49	1.87	-48.16
CC1=C(C(=O)[O-])C=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)O1	REAL300007985705	0	47	-1.0	-50.68	375.72	2.35	-48.33
O=C([O-])CCCS(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985706	0	46	-1.0	-52.25	358.71	2.18	-50.07
O=C([O-])C1CCCN1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985707	0	49	-1.0	-49.94	372.27	2.39	-47.55
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=C1	REAL300007985708	0	50	-1.0	-61.01	396.59	4.28	-56.73
O=C([O-])C1CCN(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)CC1	REAL300007985709	0	52	-1.0	-49.78	389.36	2.64	-47.14
O=C([O-])C1=CC=CC(CS(=O)(=O)NCC2CCC3(CCOCC3)CO2)=C1	REAL300007985710	0	50	-1.0	-58.72	396.40	4.22	-54.50
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)O1	REAL300007985711	0	44	-1.0	-50.03	357.49	1.87	-48.16
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=C1	REAL300007985712	0	51	-1.0	-49.96	403.76	3.85	-46.11
O=C([O-])CCCS(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985713	0	46	-1.0	-52.25	358.71	2.18	-50.07
O=C([O-])C1=CSC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=C1	REAL300007985714	0	44	-1.0	-50.93	365.92	2.54	-48.39
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=C1C	REAL300007985715	0	53	-1.0	-58.37	404.87	4.97	-53.40
CC1=CC=CC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=C1C(=O)[O-]	REAL300007985716	0	50	-1.0	-55.77	389.90	4.64	-51.13
O=C([O-])C1=CC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=CS1	REAL300007985717	0	44	-1.0	-52.73	364.38	2.53	-50.20
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985718	0	50	-1.0	-49.50	381.96	4.29	-45.21
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=C1	REAL300007985719	0	50	-1.0	-50.11	394.86	4.35	-45.76
O=C([O-])C1=COC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=C1	REAL300007985720	0	44	-1.0	-51.13	357.69	1.67	-49.46
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=C1	REAL300007985721	0	50	-1.0	-53.97	394.90	4.28	-49.69
CC1=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=C(C(=O)[O-])O1	REAL300007985722	0	47	-1.0	-54.25	377.49	2.62	-51.63
O=C([O-])C1=CN=CC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=C1	REAL300007985723	0	46	-1.0	-48.25	367.90	1.70	-46.55
O=C([O-])C1=NSC=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985724	0	43	-1.0	-54.73	350.21	1.81	-52.92
O=C([O-])C1=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)SC=N1	REAL300007985725	0	43	-1.0	-57.79	354.29	1.27	-56.52
O=C([O-])C1=NC=CC=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985726	0	46	-1.0	-57.57	358.90	2.63	-54.94
O=C([O-])CCCCCS(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985727	0	52	-1.0	-53.45	401.71	3.74	-49.71
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=N1	REAL300007985728	0	46	-1.0	-52.34	368.57	1.77	-50.57
COC1=CC=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=C1C(=O)[O-]	REAL300007985729	0	51	-1.0	-60.11	400.01	3.58	-56.53
CC1=CC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=CC=C1C(=O)[O-]	REAL300007985730	0	50	-1.0	-49.30	388.74	4.05	-45.25
CN(CCC(=O)[O-])S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985731	0	48	-1.0	-50.49	371.83	1.78	-48.71
CC1=CSC(C(=O)[O-])=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985732	0	47	-1.0	-53.97	369.76	3.83	-50.14
O=C([O-])C1=CC=C(CS(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=C1	REAL300007985733	0	50	-1.0	-61.01	396.59	4.28	-56.73
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985734	0	51	-1.0	-57.65	393.13	3.33	-54.32
CC1=CC=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=C1C(=O)[O-]	REAL300007985735	0	50	-1.0	-53.99	388.77	4.04	-49.95
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985736	0	50	-1.0	-57.38	387.37	4.42	-52.96
O=C([O-])CC1(CS(=O)(=O)NCC2CCC3(CCOCC3)CO2)CC1	REAL300007985737	0	50	-1.0	-50.33	383.09	3.39	-46.94
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=C1	REAL300007985738	0	50	-1.0	-53.97	394.90	4.28	-49.69
CCC1=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=C(C(=O)[O-])O1	REAL300007985739	0	50	-1.0	-52.56	397.01	3.47	-49.09
CC1=NC=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C=C1C(=O)[O-]	REAL300007985740	0	49	-1.0	-47.00	384.17	2.23	-44.77
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985741	0	51	-1.0	-49.80	393.15	3.34	-46.46
COC1=CC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=CC=C1C(=O)[O-]	REAL300007985742	0	51	-1.0	-55.09	400.00	3.59	-51.50
CN1N=CC(C(=O)[O-])=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985743	0	47	-1.0	-52.31	364.61	1.84	-50.47
CC1=C(C(=O)[O-])OC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=C1	REAL300007985744	0	47	-1.0	-50.99	375.46	2.47	-48.52
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COC1=CC=C(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)C(C(=O)[O-])=C1	REAL300007985753	0	51	-1.0	-52.29	391.48	3.69	-48.60
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O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985760	0	50	-1.0	-59.26	385.22	4.68	-54.58
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985761	0	47	-1.0	-57.46	369.38	2.84	-54.62
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O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985766	0	47	-1.0	-61.90	353.07	3.25	-58.65
CC1=CC(S(=O)(=O)NCC2CCC3(CCOCC3)CO2)=CN=C1C(=O)[O-]	REAL300007985767	0	49	-1.0	-52.34	385.13	2.27	-50.07
O=C([O-])CC1=CC=CC=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985768	0	50	-1.0	-59.26	385.22	4.68	-54.58
O=C([O-])C1=CC=NC=C1S(=O)(=O)NCC1CCC2(CCOCC2)CO1	REAL300007985769	0	46	-1.0	-48.06	357.53	2.64	-45.42
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=CC=C1)OC1=CC=CC=C1	REAL300007985770	0	36	-1.0	-50.81	323.00	5.36	-45.45
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=CC(F)=C1)OC1=CC=CC=C1	REAL300007985771	0	36	-1.0	-48.87	329.42	5.42	-43.45
CC(=O)C1=CC=CC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985772	0	41	-1.0	-55.82	365.79	5.83	-49.99
CCCCN(C)S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985773	0	43	-1.0	-49.26	364.79	5.02	-44.24
CCCCS(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985774	0	38	-1.0	-50.62	329.86	4.60	-46.02
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=CS1)OC1=CC=CC=C1	REAL300007985775	0	33	-1.0	-50.79	314.95	4.36	-46.43
CCC(C)C1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985776	0	48	-1.0	-50.24	401.70	7.95	-42.29
CC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])S1	REAL300007985777	0	36	-1.0	-51.10	336.84	5.16	-45.94
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=C(Cl)S1)OC1=CC=CC=C1	REAL300007985778	0	33	-1.0	-48.60	331.99	4.97	-43.63
COC1=CC=C(C)C=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985779	0	43	-1.0	-53.01	364.96	5.86	-47.15
O=C([O-])[C@@H](CNS(=O)(=O)N1CCOCC1)OC1=CC=CC=C1	REAL300007985780	0	39	-1.0	-49.12	331.28	2.07	-47.05
CS(=O)(=O)C1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985781	0	42	-1.0	-58.45	383.70	2.89	-55.56
COC1=CC(C)=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300007985782	0	47	-1.0	-52.57	396.99	5.35	-47.22
CC1=CC(Cl)=CC=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985783	0	39	-1.0	-48.23	354.65	6.77	-41.46
CN1C=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007985784	0	36	-1.0	-53.92	327.54	3.06	-50.86
CCN(CC)S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985785	0	40	-1.0	-49.96	335.99	4.16	-45.80
CN(C1CCCCC1)S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985786	0	47	-1.0	-49.99	375.40	5.72	-44.27
CC1=NN(C)C(C)=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985787	0	42	-1.0	-53.37	359.72	4.38	-48.99
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=C2OCCOC2=C1)OC1=CC=CC=C1	REAL300007985788	0	42	-1.0	-53.30	367.51	4.52	-48.78
CCC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985789	0	42	-1.0	-50.42	365.89	6.81	-43.61
CC1=NNC=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985790	0	36	-1.0	-51.26	324.85	2.34	-48.92
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985791	0	41	-1.0	-56.05	356.24	7.77	-48.28
O=C([O-])[C@@H](CNS(=O)(=O)CCC1=CC=CC(Cl)=C1)OC1=CC=CC=C1	REAL300007985792	0	42	-1.0	-51.05	384.99	7.37	-43.68
CN(C)S(=O)(=O)CCCS(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985793	0	46	-1.0	-58.86	405.43	1.94	-56.92
CC(C)C(=O)C1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985794	0	47	-1.0	-50.46	405.62	7.20	-43.26
CC1=CC(F)=CC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985795	0	39	-1.0	-50.78	350.83	6.09	-44.69
O=C([O-])[C@@H](CNS(=O)(=O)CCC1CC1)OC1=CC=CC=C1	REAL300007985796	0	39	-1.0	-50.66	339.98	5.39	-45.27
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2OC1)OC1=CC=CC=C1	REAL300007985797	0	42	-1.0	-51.00	368.72	5.86	-45.14
COCC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985798	0	43	-1.0	-51.09	378.07	5.10	-45.99
CCOC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007985799	0	42	-1.0	-50.21	372.05	2.96	-47.25
CS(=O)(=O)CCCS(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985800	0	41	-1.0	-62.70	372.00	1.39	-61.31
COC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C(C)=C1C	REAL300007985801	0	46	-1.0	-51.07	383.66	6.22	-44.85
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC2=CC=CN=C2C=C1)OC1=CC=CC=C1	REAL300007985802	0	41	-1.0	-54.16	363.99	5.74	-48.42
O=C([O-])[C@@H](CNS(=O)(=O)CC1=NOC=C1)OC1=CC=CC=C1	REAL300007985803	0	35	-1.0	-56.60	321.76	3.35	-53.25
CC1=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=NN1C	REAL300007985804	0	39	-1.0	-53.67	345.79	3.59	-50.08
CN(C1CCOCC1)S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985805	0	45	-1.0	-49.16	370.05	3.45	-45.71
O=C([O-])[C@@H](CNS(=O)(=O)N1CC2CCC1C2)OC1=CC=CC=C1	REAL300007985806	0	42	-1.0	-50.93	350.48	4.93	-46.00
CCN1N=C(C)C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300007985807	0	45	-1.0	-53.19	381.53	5.26	-47.93
CC(C)N1C=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007985808	0	42	-1.0	-53.16	367.78	4.45	-48.71
CC(C)CN1C=NC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985809	0	45	-1.0	-57.91	387.57	6.60	-51.31
CC(C)N1C=NC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985810	0	42	-1.0	-57.98	368.46	5.75	-52.23
CC(C)C1=NC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=CN1	REAL300007985811	0	42	-1.0	-58.37	366.82	3.80	-54.57
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985812	0	48	-1.0	-50.85	375.20	7.80	-43.05
O=C([O-])[C@@H](CNS(=O)(=O)CC1CCCOC1)OC1=CC=CC=C1	REAL300007985813	0	43	-1.0	-51.82	356.80	4.09	-47.73
CC1=C(F)C=CC=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985814	0	39	-1.0	-49.32	342.86	6.32	-43.00
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985815	0	51	-1.0	-52.88	415.83	6.37	-46.51
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=C(C(F)F)C=C1)OC1=CC=CC=C1	REAL300007985816	0	39	-1.0	-50.43	357.17	6.30	-44.13
COCC1=CC=C(OC)C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985817	0	47	-1.0	-53.84	398.62	4.92	-48.92
COCCC(C)S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985818	0	42	-1.0	-50.41	356.99	3.73	-46.68
COC1=CC=C(F)C=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985819	0	40	-1.0	-50.36	349.94	5.26	-45.10
CCC(C)CS(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985820	0	41	-1.0	-50.42	342.33	5.22	-45.20
O=C([O-])[C@@H](CNS(=O)(=O)N1CCC2(CCCCC2)CC1)OC1=CC=CC=C1	REAL300007985821	0	54	-1.0	-48.76	410.16	7.04	-41.72
CC1=NC2=C(S(=O)(=O)NC[C@@H](OC3=CC=CC=C3)C(=O)[O-])C=CC=C2C=C1	REAL300007985822	0	44	-1.0	-60.07	375.41	7.00	-53.07
O=C([O-])[C@@H](CNS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-])OC1=CC=CC=C1	REAL300007985823	0	44	-1.0	-61.17	387.83	7.24	-53.93
CCN(CC1CC1)S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985824	0	44	-1.0	-50.92	368.26	5.61	-45.31
O=C([O-])[C@@H](CNS(=O)(=O)C1=CN(C2CCOCC2)N=C1)OC1=CC=CC=C1	REAL300007985825	0	47	-1.0	-52.55	400.17	3.90	-48.65
CCCN1C=NC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985826	0	42	-1.0	-57.98	370.34	6.12	-51.86
COCCOCCOCCS(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985827	0	50	-1.0	-54.28	431.50	2.65	-51.63
O=C([O-])[C@@H](CNS(=O)(=O)CCOCC1CC1)OC1=CC=CC=C1	REAL300007985828	0	43	-1.0	-50.73	374.06	4.65	-46.08
CC(COC1CCCC1)CS(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985829	0	52	-1.0	-51.24	423.58	6.74	-44.50
COCC(C)CS(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985830	0	42	-1.0	-51.03	357.04	3.66	-47.37
CCOCC(C)CS(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985831	0	45	-1.0	-51.00	378.89	4.63	-46.37
O=C([O-])[C@@H](CNS(=O)(=O)C1=CN(C2CCOC2)N=C1)OC1=CC=CC=C1	REAL300007985832	0	44	-1.0	-50.34	381.08	3.09	-47.25
COC1=CC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007985833	0	42	-1.0	-50.21	378.54	6.10	-44.11
CC(C)C1=CC=CC=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985834	0	45	-1.0	-51.03	377.48	7.46	-43.57
O=C([O-])[C@@H](CNS(=O)(=O)CCCN1CCOCC1)OC1=CC=CC=C1	REAL300007985835	0	48	-1.0	-52.03	396.70	2.33	-49.70
CCOC1=CC=CC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985836	0	43	-1.0	-51.17	374.37	5.58	-45.59
COCCN1C=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300007985837	0	43	-1.0	-53.06	382.77	2.97	-50.09
CC(C)(C)CCS(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985838	0	44	-1.0	-50.42	363.60	5.53	-44.89
O=C([O-])[C@@H](CNS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1)OC1=CC=CC=C1	REAL300007985839	0	44	-1.0	-54.75	396.49	7.53	-47.22
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC2=CC=CC=C2N=C1)OC1=CC=CC=C1	REAL300007985840	0	41	-1.0	-54.33	364.22	5.74	-48.59
CC1CCN(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300007985841	0	41	-1.0	-49.94	347.12	4.32	-45.62
COCC1=CC=CC=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985842	0	43	-1.0	-50.29	369.47	5.45	-44.84
O=C([O-])[C@@H](CNS(=O)(=O)C1=CN(CC(F)(F)F)N=C1)OC1=CC=CC=C1	REAL300007985843	0	39	-1.0	-55.64	366.98	4.42	-51.22
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CC1(C)CC2=CC(S(=O)(=O)NC[C@@H](OC3=CC=CC=C3)C(=O)[O-])=CC=C2O1	REAL300007985845	0	47	-1.0	-50.50	400.46	6.61	-43.89
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CC1(CS(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])CCCCC1	REAL300007985871	0	48	-1.0	-50.21	372.85	6.86	-43.35
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COCC1=CC(Cl)=CC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985875	0	43	-1.0	-50.34	394.82	5.59	-44.75
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CC(C)(C)C1=CC(CS(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=NO1	REAL300007985880	0	47	-1.0	-55.15	404.89	6.07	-49.08
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CC1=C(CCS(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])SC=N1	REAL300007985885	0	41	-1.0	-52.11	372.24	4.59	-47.52
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CN1C=CC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=N1	REAL300007985894	0	36	-1.0	-56.71	327.87	2.89	-53.82
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CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985900	0	41	-1.0	-53.47	365.93	6.91	-46.56
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CC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985903	0	39	-1.0	-50.76	344.41	6.05	-44.71
CCOC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985904	0	43	-1.0	-50.04	374.37	5.59	-44.45
CC1=CC(C)=C(C)C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300007985905	0	48	-1.0	-50.39	385.57	8.04	-42.35
CC1=CC(C)=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300007985906	0	45	-1.0	-50.05	373.25	7.68	-42.37
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985907	0	51	-1.0	-51.09	413.91	8.56	-42.53
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CC1=CC=CC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985909	0	39	-1.0	-50.76	344.42	6.02	-44.74
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O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=CC(Cl)=C1)OC1=CC=CC=C1	REAL300007985912	0	36	-1.0	-48.63	339.75	5.87	-42.76
CC(=O)C1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985913	0	41	-1.0	-51.23	363.47	5.76	-45.47
CC1=CC=C(C)C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985914	0	42	-1.0	-51.00	359.11	6.90	-44.10
CC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300007985915	0	42	-1.0	-51.28	361.44	6.55	-44.73
CC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300007985916	0	42	-1.0	-50.78	359.73	6.80	-43.98
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CC(C)(C)C1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985918	0	48	-1.0	-50.28	399.21	7.69	-42.59
CC(C)C1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985919	0	45	-1.0	-50.25	383.23	7.29	-42.96
CCCCS(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985920	0	38	-1.0	-50.62	329.86	4.60	-46.02
CCCC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985921	0	45	-1.0	-50.17	387.39	7.59	-42.58
COC1=CC=CC=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985922	0	40	-1.0	-53.18	343.57	5.19	-47.99
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CC1=C(C)C(C)=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C(C)=C1C	REAL300007985924	0	51	-1.0	-50.76	397.77	8.44	-42.32
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CC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007985926	0	41	-1.0	-55.83	367.24	6.55	-49.28
CC1=NNC(C)=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985927	0	39	-1.0	-49.08	339.20	3.18	-45.90
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O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=C2CCCCC2=C1)OC1=CC=CC=C1	REAL300007985929	0	46	-1.0	-50.80	385.73	7.83	-42.97
COC1=CC=C(OC)C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985930	0	44	-1.0	-53.21	373.01	4.47	-48.74
COC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300007985931	0	44	-1.0	-51.48	381.74	4.56	-46.92
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CC1=NOC(C)=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985933	0	38	-1.0	-49.32	336.10	4.31	-45.01
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CC(C)CCC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985936	0	51	-1.0	-50.14	426.45	8.88	-41.26
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COC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007985941	0	42	-1.0	-54.50	370.04	6.13	-48.37
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O=C([O-])[C@@H](CNS(=O)(=O)N1CCCC1)OC1=CC=CC=C1	REAL300007985944	0	38	-1.0	-50.10	326.45	3.71	-46.39
O=C([O-])[C@@H](CNS(=O)(=O)N1CCC2=CC=CC=C2C1)OC1=CC=CC=C1	REAL300007985945	0	45	-1.0	-50.19	375.66	6.50	-43.69
CC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C2=CC=CN=C12	REAL300007985946	0	44	-1.0	-53.09	379.49	6.66	-46.43
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300007985947	0	44	-1.0	-55.51	379.00	8.03	-47.48
CC1CCN(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])CC1	REAL300007985948	0	44	-1.0	-49.09	361.97	5.17	-43.92
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985949	0	42	-1.0	-58.13	383.72	2.87	-55.26
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1)OC1=CC=CC=C1	REAL300007985950	0	46	-1.0	-48.50	376.28	8.44	-40.06
CC1CC(C)CN(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C1	REAL300007985951	0	47	-1.0	-49.56	380.95	5.64	-43.92
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=CC2=CC=CC=C21)OC1=CC=CC=C1	REAL300007985952	0	42	-1.0	-54.02	363.96	7.76	-46.26
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1)OC1=CC=CC=C1	REAL300007985953	0	46	-1.0	-51.66	397.18	8.77	-42.89
CC1=CC=C(F)C=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985954	0	39	-1.0	-50.68	344.10	6.31	-44.37
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=CC2=NSN=C21)OC1=CC=CC=C1	REAL300007985955	0	37	-1.0	-57.57	341.36	3.74	-53.83
COC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985956	0	40	-1.0	-50.23	360.27	5.72	-44.51
COC1=CC=CC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985957	0	40	-1.0	-51.29	352.51	4.65	-46.64
CCC(C)(C)C1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985958	0	51	-1.0	-50.22	413.43	8.15	-42.07
CC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300007985959	0	39	-1.0	-50.81	358.48	6.46	-44.35
CC(C)OC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985960	0	46	-1.0	-50.90	392.25	6.21	-44.69
CCC1=CC=CC=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985961	0	42	-1.0	-50.65	354.26	7.16	-43.49
CC1=CC=CC=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985962	0	39	-1.0	-50.75	338.30	6.14	-44.61
CC1=NC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=CN1C	REAL300007985963	0	39	-1.0	-59.78	346.55	4.24	-55.54
O=C([O-])[C@@H](CNS(=O)(=O)CC1=CC=CC(Cl)=C1)OC1=CC=CC=C1	REAL300007985964	0	39	-1.0	-52.49	363.51	6.57	-45.92
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=CC2=NON=C21)OC1=CC=CC=C1	REAL300007985965	0	37	-1.0	-60.49	333.90	4.07	-56.42
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=CC2=CC=CN=C21)OC1=CC=CC=C1	REAL300007985966	0	41	-1.0	-59.85	355.18	6.49	-53.36
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985967	0	42	-1.0	-49.19	371.76	5.85	-43.34
COC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300007985968	0	40	-1.0	-49.77	358.73	4.72	-45.05
CC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300007985969	0	39	-1.0	-51.47	349.74	6.06	-45.41
CC1=CC=C(CS(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985970	0	42	-1.0	-52.34	368.18	6.74	-45.60
CN1C=NC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007985971	0	36	-1.0	-59.18	327.03	4.44	-54.74
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=CN=C1)OC1=CC=CC=C1	REAL300007985972	0	35	-1.0	-49.96	318.00	3.57	-46.39
CC1CCCCN1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985973	0	44	-1.0	-49.37	353.64	5.47	-43.90
CC(C)N(C)S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985974	0	40	-1.0	-49.52	334.60	3.83	-45.69
CCCN(CCC)S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985975	0	46	-1.0	-49.92	379.00	5.67	-44.25
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985976	0	41	-1.0	-48.31	366.15	6.93	-41.38
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985977	0	41	-1.0	-50.08	360.43	6.76	-43.32
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985978	0	44	-1.0	-53.04	382.67	7.80	-45.24
CC(C)CC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985979	0	48	-1.0	-50.20	404.15	8.05	-42.15
COCCC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985980	0	46	-1.0	-50.80	399.57	5.88	-44.92
COCCN(CCOC)S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985981	0	48	-1.0	-48.97	397.04	2.54	-46.43
CC1=CC=C(Cl)C=C1S(=O)(=O)NC[C@@H](OC1=CC=CC=C1)C(=O)[O-]	REAL300007985982	0	39	-1.0	-50.07	354.43	6.76	-43.31
COC1=C(C)C=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300007985983	0	46	-1.0	-50.77	396.60	6.25	-44.52
CC(C)COC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985984	0	49	-1.0	-49.80	415.95	7.09	-42.71
CCCOC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985985	0	46	-1.0	-49.83	395.84	6.39	-43.44
COC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300007985986	0	40	-1.0	-49.34	368.53	5.21	-44.13
COC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300007985987	0	43	-1.0	-50.49	372.58	5.40	-45.09
CC1=CC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=CC=C1OC(C)C	REAL300007985988	0	49	-1.0	-50.34	412.16	6.93	-43.41
COC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300007985989	0	43	-1.0	-50.70	367.19	5.54	-45.16
COCCOC1=CC=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300007985990	0	47	-1.0	-51.80	407.97	4.87	-46.93
O=C([O-])[C@@H](CNS(=O)(=O)CC1=CC=CC=C1F)OC1=CC=CC=C1	REAL300007985991	0	39	-1.0	-53.08	352.07	6.10	-46.98
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300007985992	0	44	-1.0	-55.45	373.10	8.28	-47.17
CC1=NC(C)=C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])S1	REAL300007985993	0	38	-1.0	-50.01	348.25	3.91	-46.10
O=C([O-])[C@@H](CNS(=O)(=O)C1=CSC2=CC=CC=C21)OC1=CC=CC=C1	REAL300007985994	0	39	-1.0	-51.47	349.03	6.24	-45.23
O=C([O-])[C@@H](CNS(=O)(=O)CC1CCCC1)OC1=CC=CC=C1	REAL300007985995	0	42	-1.0	-50.44	349.98	5.77	-44.67
COC1=CC(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300007985996	0	40	-1.0	-49.10	358.73	4.72	-44.38
O=C([O-])[C@@H](CNS(=O)(=O)C1=CSC=C1)OC1=CC=CC=C1	REAL300007985997	0	33	-1.0	-48.94	314.12	4.26	-44.68
O=C([O-])[C@@H](CNS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1)OC1=CC=CC=C1	REAL300007985998	0	46	-1.0	-51.85	397.22	8.76	-43.09
O=C([O-])[C@@H](CNS(=O)(=O)CC1CCCCC1)OC1=CC=CC=C1	REAL300007985999	0	45	-1.0	-50.48	365.71	6.48	-44.00
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC[C@@H](OC2=CC=CC=C2)C(=O)[O-])=C1	REAL300007986000	0	44	-1.0	-59.15	376.59	7.12	-52.03
COC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991420	0	36	-1.0	-40.89	306.08	4.47	-36.42
COCCOC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991421	0	43	-1.0	-43.69	350.92	5.43	-38.26
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007991422	0	43	-1.0	-56.74	379.51	1.45	-55.29
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CCC2(CCCCC2)CC1	REAL300007991423	0	50	-1.0	-52.60	374.39	6.17	-46.43
CC1=NC2=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=CC=C2C=C1	REAL300007991424	0	40	-1.0	-51.03	331.92	6.18	-44.85
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=CC=C1[N+](=O)[O-]	REAL300007991425	0	40	-1.0	-51.43	347.92	6.43	-45.00
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(C2CCOCC2)N=C1	REAL300007991426	0	43	-1.0	-46.51	365.06	3.17	-43.34
COCCCOC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991427	0	46	-1.0	-42.18	389.24	5.88	-36.30
COCC(C)OC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991428	0	46	-1.0	-44.01	391.59	5.89	-38.12
CCCN1C=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991429	0	38	-1.0	-62.37	335.93	5.30	-57.07
COCCOCCOCCS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991430	0	46	-1.0	-56.43	395.74	1.83	-54.60
CC(COC1CCCC1)CS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991431	0	48	-1.0	-56.75	387.81	5.89	-50.86
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991432	0	39	-1.0	-51.06	355.63	4.81	-46.25
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(C2CCOC2)N=C1	REAL300007991433	0	40	-1.0	-51.43	346.45	2.25	-49.18
COC1=CC(Br)=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991434	0	36	-1.0	-51.76	338.44	4.40	-47.36
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(F)=CC=C1OC(F)F	REAL300007991435	0	36	-1.0	-39.64	311.47	4.95	-34.69
COC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007991436	0	38	-1.0	-41.54	341.17	5.31	-36.23
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991437	0	38	-1.0	-50.77	336.34	6.09	-44.68
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991438	0	38	-1.0	-39.73	335.97	6.39	-33.34
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1C(F)(F)F	REAL300007991439	0	38	-1.0	-40.94	342.34	6.13	-34.81
CC(C)C1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991440	0	41	-1.0	-56.62	334.26	6.34	-50.28
O=C([O-])C(CC1CC1)NS(=O)(=O)CCCN1CCOCC1	REAL300007991441	0	44	-1.0	-56.87	360.93	1.48	-55.39
CCOC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991442	0	39	-1.0	-44.56	337.01	4.80	-39.76
COCCN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007991443	0	39	-1.0	-51.30	348.14	2.12	-49.18
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC(F)F)C=C1	REAL300007991444	0	39	-1.0	-46.06	350.08	5.15	-40.91
CCCCCCCCN1N=C(C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1C	REAL300007991445	0	59	-1.0	-44.56	469.13	9.01	-35.55
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=C([N+](=O)[O-])C=C1	REAL300007991446	0	40	-1.0	-42.10	356.80	6.71	-35.39
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2N=C1	REAL300007991447	0	37	-1.0	-48.50	326.85	4.94	-43.56
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC(Br)=C1	REAL300007991448	0	35	-1.0	-42.85	331.53	5.92	-36.93
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC=C1Br	REAL300007991449	0	35	-1.0	-45.05	327.02	5.86	-39.19
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300007991450	0	39	-1.0	-55.49	350.26	2.43	-53.06
CC1=CC(Br)=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991451	0	35	-1.0	-52.93	330.11	5.78	-47.15
CC1=C(Br)C=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991452	0	35	-1.0	-51.37	319.07	5.89	-45.48
COCC1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991453	0	39	-1.0	-53.08	329.76	4.40	-48.68
COC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1Br	REAL300007991454	0	36	-1.0	-42.35	337.82	4.57	-37.78
COC1=CC(OC)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Cl	REAL300007991455	0	40	-1.0	-44.79	359.40	4.25	-40.54
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(CC(F)(F)F)N=C1	REAL300007991456	0	35	-1.0	-58.32	332.44	3.57	-54.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(CC(F)F)N=C1	REAL300007991457	0	35	-1.0	-55.66	327.56	3.35	-52.31
CC1(C)CC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC=C2O1	REAL300007991458	0	43	-1.0	-53.06	365.11	5.75	-47.31
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1OC(F)(F)O2	REAL300007991459	0	35	-1.0	-48.38	315.24	3.96	-44.42
CCNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991460	0	43	-1.0	-60.35	358.52	2.50	-57.85
CCCS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991461	0	44	-1.0	-52.58	391.56	3.85	-48.73
CSC1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991462	0	36	-1.0	-58.07	320.62	5.50	-52.57
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1F	REAL300007991463	0	40	-1.0	-42.19	366.86	1.38	-40.81
CCCNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991464	0	46	-1.0	-48.81	407.04	2.43	-46.38
CN(C)S(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991465	0	43	-1.0	-67.23	364.93	4.20	-63.03
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1F	REAL300007991466	0	43	-1.0	-40.57	386.07	2.23	-38.34
CCC1=CC=C(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991467	0	41	-1.0	-42.80	349.80	6.69	-36.11
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=CS1	REAL300007991468	0	35	-1.0	-42.90	321.96	5.18	-37.72
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC2CCOC2)C(F)=C1	REAL300007991469	0	47	-1.0	-46.83	401.66	5.04	-41.79
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC1CC1	REAL300007991470	0	44	-1.0	-55.48	372.65	4.65	-50.83
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991471	0	41	-1.0	-53.39	370.07	3.02	-50.37
COC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991472	0	42	-1.0	-47.34	360.40	1.92	-45.42
CC1=CC=C(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007991473	0	41	-1.0	-57.53	349.66	6.39	-51.14
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Br	REAL300007991474	0	39	-1.0	-41.93	357.41	5.46	-36.47
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C1=CC=CC=C1	REAL300007991475	0	46	-1.0	-47.47	393.82	7.63	-39.84
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Cl)=CC=C1OC(F)F	REAL300007991476	0	36	-1.0	-39.77	323.36	5.11	-34.66
COC1=CC=C(Br)C(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991477	0	39	-1.0	-44.96	353.09	5.12	-39.84
CC1(C)CN(S(=O)(=O)NC(CC2CC2)C(=O)[O-])CCO1	REAL300007991478	0	41	-1.0	-42.16	333.36	2.87	-39.29
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2S1	REAL300007991479	0	46	-1.0	-52.71	400.63	6.44	-46.27
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991480	0	39	-1.0	-41.78	337.66	5.90	-35.88
CC(C)N1N=CC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC=C21	REAL300007991481	0	44	-1.0	-46.54	378.63	6.16	-40.38
CCS(=O)(=O)NCCS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991482	0	39	-1.0	-59.88	351.11	-0.74	-60.62
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300007991483	0	38	-1.0	-53.78	342.36	5.84	-47.94
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2S1	REAL300007991484	0	35	-1.0	-52.44	343.87	6.45	-45.99
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC(Cl)=CC=C2S1	REAL300007991485	0	38	-1.0	-57.82	356.17	7.40	-50.42
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC2=CC=C(Cl)C=C12	REAL300007991486	0	35	-1.0	-43.79	339.44	6.56	-37.23
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=CC=C(Cl)C=C21	REAL300007991487	0	38	-1.0	-57.03	343.76	7.28	-49.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(CC(F)(F)F)C=C1	REAL300007991488	0	38	-1.0	-42.17	346.71	6.38	-35.79
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=C2OCCC2=C1	REAL300007991489	0	43	-1.0	-44.76	367.63	5.92	-38.84
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CCC1	REAL300007991490	0	46	-1.0	-41.94	385.51	7.91	-34.03
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991491	0	45	-1.0	-47.78	392.19	6.10	-41.68
O=C([O-])C(CC1CC1)NS(=O)(=O)CCNS(=O)(=O)C1=CC=CC=C1	REAL300007991492	0	43	-1.0	-59.85	387.25	1.57	-58.28
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC(C)=C2S1	REAL300007991493	0	41	-1.0	-51.28	352.72	7.41	-43.87
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1N(C)C	REAL300007991494	0	43	-1.0	-44.54	362.81	5.29	-39.25
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=CC=C1Br	REAL300007991495	0	38	-1.0	-57.33	348.93	6.42	-50.91
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=C2OCCCN2N=C1	REAL300007991496	0	37	-1.0	-58.02	318.25	1.54	-56.48
O=C([O-])C(CC1CC1)NS(=O)(=O)CCOCC1CCCC1	REAL300007991497	0	45	-1.0	-53.29	372.23	4.94	-48.35
COC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Cl	REAL300007991498	0	39	-1.0	-56.07	342.89	4.89	-51.18
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991499	0	41	-1.0	-50.79	367.60	2.76	-48.03
CSC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Cl	REAL300007991500	0	36	-1.0	-41.81	340.85	6.03	-35.78
CCC1=NN(C)C(CC)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991501	0	44	-1.0	-45.43	357.91	5.02	-40.41
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300007991502	0	40	-1.0	-51.80	358.60	3.05	-48.75
CCC1=NOC2=NC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C12	REAL300007991503	0	39	-1.0	-43.35	346.98	2.31	-41.04
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C2ON=C(C3=CC=CC=C3)C2=C1	REAL300007991504	0	43	-1.0	-45.85	382.26	4.42	-41.43
CN1N=CC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CN=C21	REAL300007991505	0	37	-1.0	-50.79	331.77	3.64	-47.15
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=C(Br)C=C2C=C1	REAL300007991506	0	38	-1.0	-43.99	355.11	7.50	-36.49
CCC1=CC(CC)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(CC)=C1	REAL300007991507	0	50	-1.0	-42.29	382.78	9.03	-33.26
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN2CCCCC2=N1	REAL300007991508	0	39	-1.0	-64.27	334.64	4.56	-59.71
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC(F)(F)F)N=C1	REAL300007991509	0	38	-1.0	-50.47	356.29	2.55	-47.92
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1CN1C=NC=N1	REAL300007991510	0	41	-1.0	-65.73	352.71	8.20	-57.53
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1F	REAL300007991511	0	39	-1.0	-43.84	331.24	4.70	-39.14
CC1(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])CCCCC1	REAL300007991512	0	44	-1.0	-41.85	336.32	6.08	-35.77
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2OCC1	REAL300007991513	0	41	-1.0	-55.04	346.91	5.87	-49.17
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300007991515	0	40	-1.0	-50.95	357.18	5.74	-45.21
COCC1=CC(Cl)=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991516	0	39	-1.0	-53.36	359.21	4.74	-48.62
CC1=CC=C(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])C(F)=C1	REAL300007991517	0	38	-1.0	-46.15	333.63	5.96	-40.19
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)(F)F)S1	REAL300007991519	0	32	-1.0	-51.05	320.93	4.72	-46.33
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1CC2=CC=CC=C2C1	REAL300007991520	0	45	-1.0	-42.10	371.90	7.83	-34.27
CC(C)(C)C1=CC(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])=NO1	REAL300007991521	0	43	-1.0	-46.13	368.36	5.31	-40.82
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1CCCS(=O)(=O)C1	REAL300007991522	0	41	-1.0	-66.33	348.66	1.65	-64.68
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300007991523	0	35	-1.0	-52.70	324.79	5.01	-47.69
CC1=C(CCS(=O)(=O)NC(CC2CC2)C(=O)[O-])SC=N1	REAL300007991524	0	37	-1.0	-42.44	332.37	3.77	-38.67
O=C([O-])C(CC1CC1)NS(=O)(=O)CC12CCC(CC1)C2	REAL300007991525	0	42	-1.0	-57.21	335.83	5.87	-51.34
COC1=CC=C2C=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])CCC2=C1	REAL300007991526	0	44	-1.0	-46.06	371.74	6.31	-39.75
O=C([O-])C(CC1CC1)NS(=O)(=O)CC12CCC(CC1)CC2	REAL300007991527	0	45	-1.0	-56.60	344.67	6.52	-50.08
CC(C)(CCS(=O)(=O)NC(CC1CC1)C(=O)[O-])S(C)(=O)=O	REAL300007991528	0	43	-1.0	-62.49	360.50	1.63	-60.86
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1CCCCC1(F)F	REAL300007991529	0	41	-1.0	-46.30	340.26	5.76	-40.54
O=C([O-])C(CC1CC1)NS(=O)(=O)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300007991530	0	39	-1.0	-43.48	335.65	6.62	-36.86
CCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007991531	0	40	-1.0	-45.72	348.05	6.39	-39.33
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(Cl)C=C1	REAL300007991532	0	32	-1.0	-39.89	302.45	5.12	-34.77
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(Br)C=C1	REAL300007991533	0	32	-1.0	-39.90	307.02	5.23	-34.67
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1	REAL300007991534	0	34	-1.0	-40.13	316.12	5.30	-34.83
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1	REAL300007991535	0	38	-1.0	-47.45	333.86	6.90	-40.55
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC([N+](=O)[O-])=C1	REAL300007991536	0	34	-1.0	-42.03	316.14	5.28	-36.75
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991537	0	37	-1.0	-41.71	327.97	6.13	-35.58
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]	REAL300007991538	0	34	-1.0	-59.09	303.09	5.93	-53.16
CCOC1=CC=C(Br)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991539	0	39	-1.0	-40.96	341.12	5.88	-35.08
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991540	0	39	-1.0	-44.04	339.26	4.84	-39.20
CC1=CC(C)=C(C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1C	REAL300007991541	0	44	-1.0	-53.89	349.99	7.21	-46.68
CC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1	REAL300007991542	0	41	-1.0	-53.53	336.06	6.74	-46.79
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991543	0	47	-1.0	-42.90	372.96	7.69	-35.21
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(C(F)(F)F)=C1	REAL300007991544	0	35	-1.0	-41.21	326.64	5.62	-35.59
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1C(F)(F)F	REAL300007991545	0	35	-1.0	-55.10	305.07	5.77	-49.33
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(Cl)=C1	REAL300007991546	0	32	-1.0	-40.54	302.39	5.09	-35.45
CC(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991547	0	37	-1.0	-43.69	326.96	5.01	-38.68
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007991548	0	38	-1.0	-47.29	341.16	5.32	-41.97
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991549	0	44	-1.0	-43.57	361.93	6.91	-36.66
CC(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991550	0	41	-1.0	-44.59	348.13	6.56	-38.03
CN(C)S(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991551	0	43	-1.0	-49.45	383.50	2.63	-46.82
CCCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991552	0	41	-1.0	-44.12	352.29	6.85	-37.27
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Br	REAL300007991553	0	36	-1.0	-42.03	335.56	4.53	-37.50
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1Br	REAL300007991554	0	35	-1.0	-40.62	325.14	5.76	-34.86
CC1=CC=CC(OC2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2)=C1	REAL300007991555	0	46	-1.0	-44.38	395.83	8.12	-36.26
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1	REAL300007991556	0	36	-1.0	-41.09	333.88	4.44	-36.65
CC1=C(C)C(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1C	REAL300007991557	0	47	-1.0	-54.72	361.29	7.62	-47.10
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2OCCCOC2=C1	REAL300007991558	0	41	-1.0	-43.00	348.47	4.52	-38.48
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991559	0	48	-1.0	-44.51	374.33	7.04	-37.47
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007991560	0	37	-1.0	-44.67	332.54	5.88	-38.79
COC1=CC=C(Br)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991561	0	36	-1.0	-40.79	320.99	5.02	-35.77
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991562	0	50	-1.0	-52.58	390.59	8.44	-44.14
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1	REAL300007991563	0	35	-1.0	-40.48	326.63	5.63	-34.85
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CCCCC2=C1	REAL300007991564	0	42	-1.0	-44.75	348.38	7.06	-37.69
COC1=CC=C(OC)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991565	0	40	-1.0	-44.80	329.15	3.70	-41.10
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1OC	REAL300007991566	0	40	-1.0	-46.03	346.63	3.81	-42.22
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CCCC2=C1	REAL300007991567	0	39	-1.0	-55.17	333.17	6.40	-48.77
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2CC1	REAL300007991568	0	40	-1.0	-45.93	342.26	7.01	-38.92
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2OCCC2=C1	REAL300007991569	0	37	-1.0	-46.17	323.84	4.47	-41.70
CC(C)CCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991570	0	47	-1.0	-42.70	389.18	8.10	-34.60
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1OCC	REAL300007991571	0	46	-1.0	-45.23	388.09	5.61	-39.62
NS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991572	0	37	-1.0	-48.62	339.96	-0.45	-49.07
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC([N+](=O)[O-])=C1C	REAL300007991573	0	40	-1.0	-50.14	348.49	6.23	-43.91
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1C	REAL300007991574	0	40	-1.0	-58.40	343.38	6.32	-52.08
CC1=CC2=CC=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=C2N=C1	REAL300007991575	0	40	-1.0	-60.89	347.46	5.70	-55.19
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C([N+](=O)[O-])=C1	REAL300007991576	0	38	-1.0	-55.56	332.85	5.21	-50.35
COC1=CC(Cl)=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991577	0	36	-1.0	-53.82	330.53	4.86	-48.96
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991578	0	37	-1.0	-50.00	342.09	-0.44	-50.44
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(S(=O)(=O)NC2CC2)=C1	REAL300007991579	0	44	-1.0	-52.24	396.92	2.47	-49.77
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991580	0	40	-1.0	-55.63	352.95	5.98	-49.65
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CCC2=CC=CC=C2C1	REAL300007991581	0	41	-1.0	-44.59	344.46	5.93	-38.66
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CN=C12	REAL300007991582	0	40	-1.0	-54.98	342.51	5.70	-49.28
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007991583	0	40	-1.0	-50.36	343.78	7.31	-43.05
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991584	0	43	-1.0	-49.93	383.51	2.60	-47.33
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CNC(C(=O)N2CCCC2)=C1	REAL300007991585	0	44	-1.0	-66.98	374.42	3.85	-63.13
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991586	0	38	-1.0	-52.88	346.35	2.08	-50.80
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1C1=CC=CC=C1	REAL300007991587	0	42	-1.0	-45.08	350.10	8.39	-36.69
CC1CC(C)CN(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300007991588	0	43	-1.0	-54.02	323.48	4.92	-49.10
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=CC=CC=C21	REAL300007991589	0	38	-1.0	-47.98	327.35	7.01	-40.97
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300007991590	0	42	-1.0	-45.15	359.83	7.98	-37.17
CC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991591	0	35	-1.0	-41.19	306.13	5.53	-35.66
CN(C)C1=CC=CC2=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=CC=C12	REAL300007991592	0	46	-1.0	-54.84	380.57	6.60	-48.24
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=NSN=C21	REAL300007991593	0	33	-1.0	-47.25	311.17	2.78	-44.47
COC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991594	0	36	-1.0	-40.83	316.42	4.92	-35.91
CCC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991595	0	47	-1.0	-43.75	376.15	7.38	-36.37
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Cl	REAL300007991596	0	35	-1.0	-43.86	323.38	5.73	-38.13
CC(C)OC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991597	0	42	-1.0	-45.22	357.17	5.48	-39.74
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC(Cl)=C1	REAL300007991598	0	35	-1.0	-42.89	326.96	5.81	-37.08
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=NON=C21	REAL300007991599	0	33	-1.0	-63.88	296.87	3.32	-60.56
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300007991600	0	37	-1.0	-44.51	344.43	7.12	-37.39
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=CC=CN=C21	REAL300007991601	0	37	-1.0	-52.49	328.31	5.21	-47.28
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2Cl)C=C1	REAL300007991602	0	43	-1.0	-48.60	393.41	8.01	-40.59
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991603	0	38	-1.0	-51.45	342.02	5.00	-46.45
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1F	REAL300007991604	0	36	-1.0	-43.52	323.62	3.98	-39.54
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1F	REAL300007991605	0	35	-1.0	-43.29	312.38	5.28	-38.01
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1	REAL300007991606	0	43	-1.0	-42.38	391.06	7.94	-34.44
COC1=CC=C(OC2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2)C=C1	REAL300007991607	0	47	-1.0	-43.89	403.90	6.73	-37.16
CC(C)C1=CC(C(C)C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C(C)C)=C1	REAL300007991608	0	59	-1.0	-44.83	448.57	10.66	-34.17
CC(C)OC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC=C12	REAL300007991609	0	48	-1.0	-55.50	396.17	7.76	-47.74
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=C(Cl)C(Cl)=C1	REAL300007991610	0	35	-1.0	-56.62	343.17	6.16	-50.46
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC=C12	REAL300007991611	0	42	-1.0	-55.98	355.24	6.13	-49.85
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991612	0	37	-1.0	-39.10	327.96	6.12	-32.98
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991613	0	37	-1.0	-49.92	322.21	5.82	-44.10
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991614	0	40	-1.0	-41.21	344.32	7.01	-34.20
CC(C)CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991615	0	44	-1.0	-42.77	366.88	7.28	-35.49
COCCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991616	0	42	-1.0	-43.08	362.29	5.10	-37.98
COCCN(CCOC)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991617	0	44	-1.0	-52.37	356.12	1.76	-50.61
CC1=CC=C(Cl)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991618	0	35	-1.0	-39.92	313.61	5.90	-34.02
COC1=C(C)C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007991619	0	42	-1.0	-46.14	361.49	5.50	-40.64
CC(C)CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991620	0	48	-1.0	-43.72	399.81	6.97	-36.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC2CCCC2)C=C1	REAL300007991621	0	46	-1.0	-44.14	382.56	6.84	-37.30
CC(C)COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991622	0	45	-1.0	-44.08	380.84	6.36	-37.72
CCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991623	0	42	-1.0	-43.99	360.74	5.67	-38.32
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Cl	REAL300007991624	0	36	-1.0	-42.03	331.17	4.42	-37.61
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300007991625	0	36	-1.0	-43.52	340.92	4.69	-38.83
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007991626	0	39	-1.0	-52.89	336.97	4.56	-48.33
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1OC(C)C	REAL300007991627	0	45	-1.0	-52.71	376.98	6.08	-46.63
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1	REAL300007991628	0	39	-1.0	-54.13	329.78	4.63	-49.50
COCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991629	0	43	-1.0	-44.53	370.69	4.10	-40.43
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC=C1F	REAL300007991630	0	35	-1.0	-45.70	312.20	5.28	-40.42
CC1=CC(Br)=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991631	0	35	-1.0	-39.18	318.16	5.99	-33.19
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1C	REAL300007991632	0	40	-1.0	-48.67	333.29	7.37	-41.30
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991633	0	41	-1.0	-52.36	357.62	2.90	-49.46
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(S(=O)(=O)NC2CC2)C=C1	REAL300007991634	0	44	-1.0	-47.76	394.73	2.44	-45.32
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991635	0	40	-1.0	-49.41	364.51	0.80	-48.61
CNS(=O)(=O)C1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991636	0	40	-1.0	-55.10	342.37	2.99	-52.11
CC1=NC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300007991637	0	34	-1.0	-44.00	313.14	3.18	-40.82
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC2=CC=CC=C21	REAL300007991638	0	35	-1.0	-53.35	323.34	5.81	-47.54
COC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1F	REAL300007991639	0	36	-1.0	-41.51	321.36	3.93	-37.58
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300007991640	0	42	-1.0	-46.86	362.13	8.04	-38.82
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC(Cl)=CC(Cl)=C1	REAL300007991641	0	35	-1.0	-54.55	344.47	6.23	-48.32
CC1=NC(C2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])S2)=CS1	REAL300007991642	0	38	-1.0	-53.88	367.83	5.06	-48.82
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC2CCCCC2)C=C1	REAL300007991643	0	52	-1.0	-42.96	420.30	8.22	-34.74
CC1=CC2=CC=CN=C2C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991644	0	40	-1.0	-50.31	332.48	6.27	-44.04
CNC(=O)C1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CN1C	REAL300007991645	0	40	-1.0	-54.89	352.28	2.14	-52.75
COC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1	REAL300007991646	0	42	-1.0	-44.18	342.72	5.45	-38.73
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300007991647	0	43	-1.0	-54.59	371.87	8.61	-45.98
COC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007991648	0	42	-1.0	-43.06	346.31	5.40	-37.66
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CN=C2C=C1	REAL300007991649	0	40	-1.0	-46.74	331.79	5.79	-40.95
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=CN=CC=C21	REAL300007991650	0	37	-1.0	-55.99	322.31	4.94	-51.05
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NC(CC1CC1)C(=O)[O-])=C2	REAL300007991651	0	45	-1.0	-59.55	387.44	8.32	-51.23
CCN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300007991652	0	37	-1.0	-53.24	337.84	5.38	-47.86
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC(F)(F)F)C=C1	REAL300007991653	0	39	-1.0	-41.97	356.64	5.29	-36.68
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300007991654	0	46	-1.0	-44.37	396.98	7.88	-36.49
CCC(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991655	0	40	-1.0	-49.26	351.00	5.88	-43.38
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(CC2=CC=CC=C2)N=C1	REAL300007991656	0	42	-1.0	-48.27	373.89	6.19	-42.08
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C2NC=CC=C12	REAL300007991657	0	35	-1.0	-71.88	316.80	3.76	-68.12
CC(C)CCN(CCC(C)C)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991658	0	54	-1.0	-55.68	424.36	7.46	-48.22
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991659	0	40	-1.0	-50.82	361.46	1.35	-49.47
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC(F)=C1	REAL300007991660	0	35	-1.0	-42.56	315.51	5.37	-37.19
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC=C12	REAL300007991661	0	45	-1.0	-55.78	377.35	7.04	-48.74
CCOC1=CC=C(C)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991662	0	42	-1.0	-44.47	338.78	6.15	-38.32
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(N2C=NN=N2)=C1	REAL300007991663	0	37	-1.0	-49.72	336.20	4.79	-44.93
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(C2=CC=CC=C2)N=C1	REAL300007991664	0	39	-1.0	-48.42	346.22	5.70	-42.72
CCOCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991665	0	46	-1.0	-44.56	392.55	5.06	-39.50
CCCCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991666	0	48	-1.0	-42.64	401.56	7.19	-35.45
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1CCCC2	REAL300007991667	0	42	-1.0	-55.91	335.34	6.83	-49.08
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC=C1C(F)(F)F	REAL300007991668	0	38	-1.0	-45.57	331.60	6.35	-39.22
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(SC(F)(F)F)C=C1	REAL300007991669	0	36	-1.0	-40.44	342.10	6.06	-34.38
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2COCC2=C1	REAL300007991670	0	37	-1.0	-52.52	323.62	3.79	-48.73
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC2=CC=CN=C21	REAL300007991671	0	40	-1.0	-52.80	346.79	5.78	-47.02
O=C([O-])C(CC1CC1)NS(=O)(=O)C1CCS(=O)(=O)CC1	REAL300007991672	0	38	-1.0	-44.95	326.78	0.99	-43.96
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(N2C=NN=N2)C=C1	REAL300007991673	0	37	-1.0	-43.27	333.99	4.78	-38.49
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1	REAL300007991674	0	42	-1.0	-54.08	351.89	5.53	-48.55
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991675	0	40	-1.0	-61.26	364.26	0.66	-60.60
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1OC(F)F	REAL300007991676	0	36	-1.0	-45.95	324.31	4.67	-41.28
CSC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991677	0	36	-1.0	-42.73	325.92	5.62	-37.11
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC(C(F)(F)F)=C1	REAL300007991678	0	38	-1.0	-41.90	345.63	6.24	-35.66
CCN(CC1=CC=CC=C1)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991679	0	43	-1.0	-54.45	351.39	6.15	-48.30
CCN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])N=C1C	REAL300007991680	0	38	-1.0	-57.14	333.92	4.28	-52.86
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1OCCO2	REAL300007991681	0	38	-1.0	-47.74	329.89	4.25	-43.49
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=NC=CC=C21	REAL300007991682	0	37	-1.0	-54.35	322.16	4.88	-49.47
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=C(OC(F)F)C=C2CC1	REAL300007991683	0	44	-1.0	-45.98	375.58	6.46	-39.52
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(F)(F)F	REAL300007991684	0	38	-1.0	-42.60	340.08	6.09	-36.51
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC(C2=CC=C(F)C=C2)=N1	REAL300007991685	0	38	-1.0	-58.25	361.69	5.26	-52.99
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2C(=O)CCCC2=C1	REAL300007991686	0	41	-1.0	-45.71	350.49	6.18	-39.53
CC1=NN(C)C2=NC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C12	REAL300007991687	0	40	-1.0	-46.35	354.22	4.36	-41.99
COC1=CC=C(Cl)C=C1CS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991688	0	39	-1.0	-46.39	355.13	5.18	-41.21
COCC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991689	0	39	-1.0	-43.60	340.73	4.29	-39.31
CC1(C)CC2=CC=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=C2O1	REAL300007991690	0	43	-1.0	-63.22	359.17	5.93	-57.29
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC=C1Cl	REAL300007991691	0	35	-1.0	-45.23	323.82	5.75	-39.48
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300007991692	0	44	-1.0	-60.73	384.49	3.15	-57.58
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=C(OC(F)(F)F)C=C1	REAL300007991693	0	39	-1.0	-39.31	352.90	5.04	-34.27
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300007991694	0	40	-1.0	-55.94	347.55	5.09	-50.85
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=C(Cl)C=CC=C1Cl	REAL300007991695	0	35	-1.0	-56.47	338.29	6.09	-50.38
CC1CC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC=C2O1	REAL300007991696	0	40	-1.0	-44.95	342.56	5.16	-39.79
CCC1=CC=CC(CC)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991697	0	44	-1.0	-53.31	340.78	7.62	-45.69
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991698	0	44	-1.0	-60.17	371.94	3.35	-56.82
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300007991699	0	43	-1.0	-44.85	393.33	7.98	-36.87
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC(C2=CC=CC=C2)=N1	REAL300007991700	0	38	-1.0	-52.95	354.01	5.20	-47.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300007991701	0	38	-1.0	-57.95	372.00	5.71	-52.24
CC1=NC(C2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2)=CO1	REAL300007991702	0	41	-1.0	-48.61	364.31	3.68	-44.93
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300007991703	0	35	-1.0	-51.76	319.43	3.27	-48.49
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300007991704	0	35	-1.0	-56.94	318.61	4.91	-52.03
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2OCOC2=C1	REAL300007991705	0	35	-1.0	-44.84	313.96	3.28	-41.56
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007991706	0	35	-1.0	-51.32	314.63	1.18	-50.14
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2OCCCC2=C1	REAL300007991707	0	40	-1.0	-45.27	339.36	5.20	-40.07
O=C([O-])C(CC1CC1)NS(=O)(=O)C1CC2=CC=CC=C2C1	REAL300007991708	0	39	-1.0	-43.63	330.57	6.36	-37.27
CC1=CC=C(N2C=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=N2)C=C1	REAL300007991709	0	42	-1.0	-52.01	370.36	6.29	-45.72
CC1CC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC(Cl)=C2O1	REAL300007991710	0	40	-1.0	-50.31	361.44	5.61	-44.70
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1[N+](=O)[O-]	REAL300007991711	0	37	-1.0	-49.01	331.63	5.70	-43.31
COC1=CC=CC=C1N1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007991712	0	43	-1.0	-52.60	373.39	5.34	-47.26
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C2C=CSC2=C1	REAL300007991713	0	34	-1.0	-51.83	319.69	3.98	-47.85
CN(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991714	0	40	-1.0	-46.79	339.39	5.05	-41.74
CC1=CC2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2C=C1	REAL300007991715	0	41	-1.0	-46.28	352.94	7.51	-38.77
COC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])SC=C1	REAL300007991716	0	33	-1.0	-59.74	297.82	2.83	-56.91
CN(C)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991717	0	40	-1.0	-46.50	339.44	5.01	-41.49
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1OCC2	REAL300007991718	0	37	-1.0	-58.88	319.93	4.29	-54.59
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=NOC2=CC=CC=C21	REAL300007991719	0	37	-1.0	-46.36	333.59	4.63	-41.73
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CCOC2=C1	REAL300007991720	0	37	-1.0	-45.27	321.46	4.42	-40.85
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1=CC=C(Cl)C=C1	REAL300007991721	0	38	-1.0	-40.61	345.31	6.56	-34.05
CN1CCCC2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C21	REAL300007991722	0	44	-1.0	-56.02	361.64	5.07	-50.95
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1	REAL300007991723	0	34	-1.0	-42.40	322.64	3.86	-38.54
COC1=CC=CC(OC)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991724	0	40	-1.0	-51.45	341.10	5.17	-46.28
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991725	0	40	-1.0	-49.38	344.44	6.47	-42.91
CC1=CC=C(C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1[N+](=O)[O-]	REAL300007991726	0	40	-1.0	-70.47	345.63	7.84	-62.63
CC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300007991727	0	40	-1.0	-60.23	343.87	6.49	-53.74
COC1=CC=C(CCS(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991728	0	42	-1.0	-44.11	361.34	5.39	-38.72
COC1=CN=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991729	0	35	-1.0	-44.26	310.23	2.06	-42.20
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300007991730	0	41	-1.0	-54.26	361.15	6.20	-48.06
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C2CC2)C=C1	REAL300007991731	0	39	-1.0	-53.45	336.64	6.62	-46.83
COC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC(OC)=C1	REAL300007991732	0	40	-1.0	-55.94	346.63	3.10	-52.84
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1CCCCC1	REAL300007991733	0	44	-1.0	-41.97	352.51	6.24	-35.73
CC1=CC=C(CCS(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991734	0	41	-1.0	-42.83	351.99	6.77	-36.06
CC1=CC2=C(C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-])OCO2	REAL300007991735	0	38	-1.0	-55.59	326.33	3.99	-51.60
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=C2OC=CC2=CC=C1	REAL300007991736	0	35	-1.0	-57.54	315.85	4.86	-52.68
COC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1Cl	REAL300007991737	0	36	-1.0	-42.28	333.43	4.46	-37.82
CN1C=NC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC=C21	REAL300007991738	0	38	-1.0	-51.26	333.92	5.91	-45.35
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007991739	0	40	-1.0	-52.88	339.68	6.37	-46.51
CC1=NC2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2O1	REAL300007991740	0	37	-1.0	-48.34	331.55	2.28	-46.06
CCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1CC	REAL300007991741	0	44	-1.0	-53.92	364.71	7.05	-46.87
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991742	0	40	-1.0	-47.56	342.85	6.75	-40.81
COC1=CC(C)=CC(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991743	0	42	-1.0	-47.09	348.37	6.35	-40.74
CC1=C(C)SC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991744	0	35	-1.0	-54.73	321.31	4.89	-49.84
NC1=NC=C(Cl)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991745	0	33	-1.0	-50.49	310.82	2.43	-48.06
CCC1=NC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300007991746	0	34	-1.0	-42.08	315.66	3.19	-38.89
CN(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007991747	0	39	-1.0	-55.32	336.46	4.29	-51.03
CC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300007991748	0	35	-1.0	-55.21	307.95	4.64	-50.57
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1C1=CC=NO1	REAL300007991749	0	38	-1.0	-60.16	330.68	5.94	-54.22
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1OCO2	REAL300007991750	0	35	-1.0	-54.86	315.19	3.19	-51.67
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC(C)=C1F	REAL300007991751	0	38	-1.0	-42.32	334.95	5.95	-36.37
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2OCCC(=O)C2=C1	REAL300007991752	0	39	-1.0	-55.51	343.64	4.24	-51.27
O=C([O-])C(CC1CC1)NS(=O)(=O)CCCOCC1=CC=CC=C1	REAL300007991753	0	45	-1.0	-58.93	388.27	6.04	-52.89
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CNC2=CC=CC(F)=C12	REAL300007991754	0	36	-1.0	-58.97	326.23	4.58	-54.39
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=C2N=CSC2=CC=C1	REAL300007991755	0	34	-1.0	-58.46	318.16	3.93	-54.53
CC1=NC(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])=CS1	REAL300007991756	0	34	-1.0	-60.61	317.83	2.87	-57.74
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=C(Cl)C=C1	REAL300007991757	0	35	-1.0	-39.79	323.64	5.77	-34.02
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1Cl	REAL300007991758	0	35	-1.0	-40.59	321.11	5.68	-34.91
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CCC(=O)C2=C1	REAL300007991759	0	38	-1.0	-65.43	335.73	5.47	-59.96
CC1=CSC(C2=CC=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=C2)=N1	REAL300007991760	0	41	-1.0	-46.82	374.15	6.09	-40.73
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1OCCC2	REAL300007991761	0	40	-1.0	-58.82	337.93	5.66	-53.16
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300007991762	0	39	-1.0	-47.47	350.76	2.43	-45.04
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=C1OCCCO2	REAL300007991763	0	41	-1.0	-54.93	350.52	4.89	-50.04
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC(F)=CC=C1Cl	REAL300007991764	0	35	-1.0	-41.88	326.79	5.76	-36.12
CCCCCCCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991765	0	57	-1.0	-42.61	466.06	9.53	-33.08
CCC(C)OC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991766	0	45	-1.0	-46.07	377.94	6.27	-39.80
COC(CS(=O)(=O)NC(CC1CC1)C(=O)[O-])C1CCCC1	REAL300007991767	0	45	-1.0	-56.64	360.52	4.87	-51.77
COC(CS(=O)(=O)NC(CC1CC1)C(=O)[O-])C1CCCCC1	REAL300007991768	0	48	-1.0	-57.64	380.54	5.24	-52.40
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OCC2=CC=CC=C2)C(F)=C1	REAL300007991769	0	46	-1.0	-43.97	403.12	7.91	-36.06
CCOC(CS(=O)(=O)NC(CC1CC1)C(=O)[O-])C1CC1	REAL300007991770	0	42	-1.0	-57.63	351.34	4.81	-52.82
CCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(C)C	REAL300007991771	0	51	-1.0	-43.74	417.10	7.61	-36.13
CCC1=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CN1CC1CC1	REAL300007991772	0	45	-1.0	-63.23	387.55	6.47	-56.76
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C(C2CC2)S1	REAL300007991773	0	35	-1.0	-51.27	328.02	4.05	-47.22
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1[N+](=O)[O-]	REAL300007991774	0	40	-1.0	-50.16	349.69	6.89	-43.27
CN1N=CC(C2CC2)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991775	0	39	-1.0	-50.54	331.70	4.28	-46.26
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NN1CCC1=CC=CC=C1	REAL300007991776	0	45	-1.0	-51.87	378.21	6.42	-45.45
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991777	0	35	-1.0	-41.31	327.26	3.17	-38.14
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(SC2=CC=CC=C2)=C1	REAL300007991778	0	43	-1.0	-44.23	386.25	8.67	-35.56
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2CCC3=C2C1=CC=C3	REAL300007991779	0	42	-1.0	-50.04	351.82	8.08	-41.96
CCC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C(C)C=C1OC	REAL300007991780	0	45	-1.0	-43.88	370.75	6.23	-37.65
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300007991781	0	38	-1.0	-40.22	359.10	6.51	-33.71
CN1C=C([N+](=O)[O-])C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=N1	REAL300007991782	1	34	-1.0	-61.09	315.93	3.51	-57.58
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC=C2C=C1	REAL300007991783	0	41	-1.0	-47.60	335.77	7.63	-39.97
CC(C)OC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007991784	0	41	-1.0	-42.73	354.82	3.14	-39.59
COC1=C(F)C=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991785	0	36	-1.0	-51.81	323.15	4.57	-47.24
CCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(C)C	REAL300007991786	0	48	-1.0	-43.99	395.61	6.81	-37.18
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1F	REAL300007991787	0	44	-1.0	-43.62	363.87	6.82	-36.80
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=C(C2CCCCC2)C=C1	REAL300007991788	0	51	-1.0	-56.61	413.09	9.00	-47.61
CN1N=C2CCCCC2=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991789	0	42	-1.0	-50.29	344.74	4.53	-45.76
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C(C)(C)C)=N1	REAL300007991790	0	44	-1.0	-57.53	353.09	4.49	-53.04
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(C2CCCC2)N=C1	REAL300007991791	0	42	-1.0	-44.41	353.06	4.92	-39.49
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991792	0	35	-1.0	-45.10	318.03	3.31	-41.79
COC1=CC=C(F)C=C1CS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991793	0	39	-1.0	-46.58	344.82	4.73	-41.85
C=CCCC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991794	0	42	-1.0	-42.73	362.92	7.37	-35.36
CCC1=NN(C)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991795	0	38	-1.0	-54.46	324.48	3.35	-51.11
CCCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(C)C	REAL300007991796	0	54	-1.0	-44.81	440.87	8.44	-36.37
O=C([O-])C(CC1CC1)NS(=O)(=O)C=CC1=CC=CC(Cl)=C1	REAL300007991797	0	36	-1.0	-52.70	337.49	6.22	-46.48
CCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(C)(C)C	REAL300007991798	0	54	-1.0	-46.23	431.93	8.33	-37.90
CCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1CC	REAL300007991799	0	48	-1.0	-44.90	402.45	7.12	-37.78
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991800	0	38	-1.0	-49.40	331.13	6.62	-42.78
CC1=CC(Br)=CC=C1CS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991801	0	38	-1.0	-40.77	345.87	6.54	-34.23
O=C([O-])C(CC1CC1)NS(=O)(=O)C=CC1=CC=CC=C1Cl	REAL300007991802	0	36	-1.0	-54.00	335.00	6.13	-47.87
CCCC1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991803	0	41	-1.0	-55.97	339.10	7.00	-48.97
COC1=NC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991804	0	35	-1.0	-55.33	311.79	1.72	-53.61
CC1=NN(CC2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991805	0	48	-1.0	-46.77	401.93	7.38	-39.39
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC2=CC=NC=C21	REAL300007991806	0	37	-1.0	-56.20	322.68	5.11	-51.09
CC1=CSC(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991807	0	35	-1.0	-50.12	309.72	5.15	-44.97
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(C2CCC2)N=C1	REAL300007991808	0	39	-1.0	-46.77	335.55	4.25	-42.52
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NN1C1CCC1	REAL300007991809	0	39	-1.0	-43.31	331.51	4.25	-39.06
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NN1CC1CCC1	REAL300007991810	0	42	-1.0	-43.39	352.39	4.94	-38.45
CC1(C)COC2=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=NN2C1	REAL300007991811	0	43	-1.0	-57.66	356.31	2.65	-55.01
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C(C2=CC=CC=C2)S1	REAL300007991812	0	38	-1.0	-46.95	354.75	5.53	-41.42
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C2CCCCN12	REAL300007991813	0	39	-1.0	-51.21	327.24	4.44	-46.77
CCCCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(C)C	REAL300007991814	0	57	-1.0	-44.69	462.36	9.22	-35.47
COC1=CC(C(C)C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007991815	0	48	-1.0	-56.15	384.43	6.35	-49.80
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991816	0	42	-1.0	-42.93	348.97	6.11	-36.82
CCOCCOC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C(C)C	REAL300007991817	0	55	-1.0	-45.20	451.09	7.03	-38.17
CC1CC2=CC=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=C2O1	REAL300007991818	0	40	-1.0	-58.90	342.21	5.02	-53.88
CC(C)(C)C1=NC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300007991819	0	40	-1.0	-43.48	354.33	4.27	-39.21
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=C(Cl)C=CC2=C1OCCO2	REAL300007991820	0	38	-1.0	-47.34	335.86	5.11	-42.23
CC1=NN2C=CC=NC2=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991821	0	37	-1.0	-56.47	323.49	4.06	-52.41
O=C([O-])C(CC1CC1)NS(=O)(=O)N1C[C@@H]2CCC[C@@H]2C1	REAL300007991822	0	41	-1.0	-53.87	331.34	4.48	-49.39
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CNC2=CC(Br)=CC=C12	REAL300007991823	0	36	-1.0	-52.81	342.71	5.08	-47.73
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=NON=C2C=C1	REAL300007991824	0	33	-1.0	-39.84	302.80	3.40	-36.44
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2S1	REAL300007991825	0	35	-1.0	-55.52	326.79	5.97	-49.55
CN1N=C(C2CC2)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991826	0	39	-1.0	-46.44	338.40	4.38	-42.06
CC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=C1F	REAL300007991827	0	41	-1.0	-44.11	340.12	6.89	-37.22
COC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1OC	REAL300007991828	0	40	-1.0	-54.55	345.94	4.40	-50.15
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=COC2=CC=CC=C21	REAL300007991829	0	35	-1.0	-53.31	317.70	4.81	-48.50
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C2CCCC2)=N1	REAL300007991830	0	45	-1.0	-52.36	371.30	5.45	-46.91
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991831	0	44	-1.0	-46.91	363.05	5.09	-41.82
CCCCN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C)=N1	REAL300007991832	0	44	-1.0	-52.78	371.32	5.10	-47.68
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C2CC2)=N1	REAL300007991833	0	39	-1.0	-53.80	342.56	4.30	-49.50
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC(F)F)C=C1	REAL300007991834	0	36	-1.0	-46.98	327.14	4.22	-42.76
CN1N=NC2=C(S(=O)(=O)NC(CC3CC3)C(=O)[O-])C=CC=C21	REAL300007991835	0	37	-1.0	-60.94	333.10	2.95	-57.99
CC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1Br	REAL300007991836	0	38	-1.0	-55.69	340.70	6.51	-49.18
CC1(C)CCCN(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300007991837	0	43	-1.0	-41.52	341.67	5.06	-36.46
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC(F)=CC(Cl)=C2OC1	REAL300007991838	0	38	-1.0	-49.59	356.03	5.61	-43.98
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C2CCC2)=N1	REAL300007991839	0	42	-1.0	-55.72	350.18	4.55	-51.17
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991840	0	50	-1.0	-44.78	397.53	8.50	-36.28
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300007991841	0	38	-1.0	-40.00	356.87	6.45	-33.55
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(CC2CCC2)N=C1	REAL300007991842	0	42	-1.0	-46.13	359.64	5.22	-40.91
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=C(C2CC2)C=CS1	REAL300007991843	0	36	-1.0	-43.84	322.41	5.78	-38.06
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Cl)=CC=C1OCC1CC1	REAL300007991844	0	43	-1.0	-57.58	383.83	7.29	-50.29
COC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=NC=CC=C2C=C1	REAL300007991845	0	41	-1.0	-68.08	351.23	5.73	-62.35
CCCC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991846	0	41	-1.0	-44.26	352.30	6.82	-37.44
CN1N=C2CCCC2=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991847	0	39	-1.0	-46.14	331.38	4.07	-42.07
CC(C)(C)N1N=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991848	0	41	-1.0	-53.61	326.81	3.92	-49.69
CC(C)(C)N1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007991849	0	41	-1.0	-51.65	352.64	4.25	-47.40
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CNN=C1C1CCC1	REAL300007991850	0	39	-1.0	-52.07	331.65	3.40	-48.67
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CN=C1C(F)(F)F	REAL300007991851	0	37	-1.0	-46.97	338.38	4.33	-42.64
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300007991852	0	35	-1.0	-48.21	332.54	5.58	-42.63
CCCC(=O)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991853	0	43	-1.0	-47.84	370.24	6.61	-41.23
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2CCC1	REAL300007991854	0	43	-1.0	-55.60	354.62	7.48	-48.12
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC(Cl)=CC=C2OC1	REAL300007991855	0	38	-1.0	-41.35	344.19	5.50	-35.85
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CC2=CC=CC=C2C1	REAL300007991856	0	38	-1.0	-52.20	328.56	4.92	-47.28
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=NOC2=C1COCC2	REAL300007991857	0	39	-1.0	-47.71	339.64	2.95	-44.76
COC(F)(F)C(F)(F)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991858	0	42	-1.0	-41.61	381.92	5.36	-36.25
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC=C1C(F)(F)F	REAL300007991859	0	32	-1.0	-52.63	300.31	4.60	-48.03
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(C2CC2)=C1	REAL300007991860	0	39	-1.0	-43.63	334.87	6.68	-36.95
COC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=CS1	REAL300007991861	0	33	-1.0	-56.63	309.39	3.00	-53.63
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NN1C1CCCC1	REAL300007991862	0	42	-1.0	-50.99	342.56	4.69	-46.30
CCC(C)N1N=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991863	0	41	-1.0	-50.97	337.63	3.97	-47.00
CN(C1CCCCCC1)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991864	0	46	-1.0	-43.25	353.63	5.60	-37.65
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C2CCOCC2)=N1	REAL300007991865	0	46	-1.0	-55.23	377.10	3.33	-51.90
CC(F)(F)C1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991866	0	38	-1.0	-45.04	341.13	6.15	-38.89
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(OC(F)F)=C1	REAL300007991867	0	36	-1.0	-44.87	324.90	4.15	-40.72
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CCC(C2=CC=CC=C2)CC1	REAL300007991868	0	47	-1.0	-42.47	383.49	7.29	-35.18
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])S1	REAL300007991869	0	33	-1.0	-42.25	309.46	3.04	-39.21
CC1=CC(C)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=NC=CC=C12	REAL300007991870	0	43	-1.0	-61.22	354.74	6.66	-54.56
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CCC(C(F)(F)F)CC1	REAL300007991871	0	40	-1.0	-39.50	343.44	4.75	-34.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(CCF)N=C1	REAL300007991872	0	35	-1.0	-50.99	320.82	3.23	-47.76
CCOCC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991873	0	42	-1.0	-44.82	364.83	5.30	-39.52
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991874	0	42	-1.0	-47.31	365.32	5.73	-41.58
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN(C2CCCCC2)N=C1	REAL300007991875	0	45	-1.0	-44.66	372.04	5.52	-39.14
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300007991876	0	43	-1.0	-44.30	374.40	7.46	-36.84
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1CF	REAL300007991877	0	35	-1.0	-57.95	305.62	5.51	-52.44
CC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC(C)=C1Br	REAL300007991878	0	38	-1.0	-42.67	345.61	6.37	-36.30
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=CC=CC=C12	REAL300007991879	0	41	-1.0	-57.76	344.82	7.27	-50.49
CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300007991880	0	42	-1.0	-54.72	353.52	5.52	-49.20
O=C([O-])C(CC1CC1)NS(=O)(=O)C=CC1=CC=C(F)C=C1	REAL300007991881	0	36	-1.0	-43.90	325.88	5.90	-38.00
O=C([O-])C(CC1CC1)NS(=O)(=O)C=CC1=CC=CC(Br)=C1	REAL300007991882	0	36	-1.0	-52.69	342.05	6.32	-46.37
O=C([O-])C(CC1CC1)NS(=O)(=O)C=CC1=CC=C(Br)C=C1	REAL300007991883	0	36	-1.0	-44.49	341.10	6.44	-38.05
O=C([O-])C(CC1CC1)NS(=O)(=O)CCC1NC(=O)NC1=O	REAL300007991884	0	37	-1.0	-42.39	329.67	-1.48	-43.87
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CN=C2C=CC=CN12	REAL300007991885	0	35	-1.0	-56.72	313.93	4.90	-51.82
O=C([O-])C(CC1CC1)NS(=O)(=O)C1CCC(F)(F)CC1	REAL300007991886	0	38	-1.0	-39.79	319.31	5.10	-34.69
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C2SC=NC2=C1	REAL300007991887	0	34	-1.0	-45.53	316.59	3.96	-41.57
O=C([O-])C(CC1CC1)NS(=O)(=O)CCOC1CCOC1	REAL300007991888	0	40	-1.0	-53.78	342.05	1.70	-52.08
CC1=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300007991889	0	41	-1.0	-59.99	358.98	3.63	-56.36
O=C([O-])C(CC1CC1)NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2	REAL300007991890	0	49	-1.0	-57.59	364.49	7.35	-50.24
CC1(C)COC(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])C1	REAL300007991891	0	42	-1.0	-60.42	347.88	3.68	-56.74
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1CS(=O)(=O)C1	REAL300007991892	0	35	-1.0	-63.69	318.48	0.17	-63.52
CC(C)(CS(=O)(=O)NC(CC1CC1)C(=O)[O-])C(C)(F)F	REAL300007991893	0	40	-1.0	-46.88	325.47	5.04	-41.84
CS(=O)(=O)CCCCS(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991894	0	40	-1.0	-65.13	357.73	1.31	-63.82
CC1(C)CCC(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])OC1	REAL300007991895	0	45	-1.0	-59.47	362.20	4.61	-54.86
O=C([O-])C(CC1CC1)NS(=O)(=O)CC[C@@H]1C[C@H]1C1CC1	REAL300007991896	0	42	-1.0	-55.12	357.77	6.81	-48.31
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1=CC=CC2=NSN=C21	REAL300007991897	0	36	-1.0	-48.78	331.12	3.57	-45.21
O=C([O-])C(CC1CC1)NS(=O)(=O)C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F	REAL300007991898	0	42	-1.0	-42.18	368.41	7.45	-34.73
O=C([O-])C(CC1CC1)NS(=O)(=O)CC1C[C@@H]2COC[C@@H]2O1	REAL300007991899	0	41	-1.0	-42.37	337.79	2.05	-40.32
O=C([O-])C(CC1CC1)NS(=O)(=O)C[C@@H]1C[C@@H]2CCCC[C@H]12	REAL300007991900	0	45	-1.0	-55.81	354.62	6.47	-49.34
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C2CC2)S1	REAL300007991901	0	36	-1.0	-54.71	332.13	5.84	-48.87
CC1(C)CCC(C)(C)C2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC=C21	REAL300007991902	0	54	-1.0	-47.39	417.61	8.80	-38.59
COC1=CC=C(C=C(C)S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991903	0	43	-1.0	-46.27	357.47	5.50	-40.77
COC1=CSC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1OC	REAL300007991904	0	37	-1.0	-56.43	332.48	2.40	-54.03
O=C([O-])C(CC1CC1)NS(=O)(=O)N1C[C@@H]2CCCC[C@@H]2C1	REAL300007991905	0	44	-1.0	-43.72	348.88	5.05	-38.67
CN(CCC1=CC=CC=C1)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991906	0	43	-1.0	-53.67	366.36	6.37	-47.30
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(Cl)=C1OC(F)F	REAL300007991907	0	36	-1.0	-53.38	330.40	5.67	-47.71
COC1=CC(F)=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(F)=C1	REAL300007991908	0	36	-1.0	-45.21	325.51	4.19	-41.02
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(F)C(OC(F)F)=C1	REAL300007991909	0	36	-1.0	-46.39	333.40	4.26	-42.13
CN1N=C2C=CC=CC2=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991910	0	38	-1.0	-47.58	330.07	4.49	-43.09
CN1C=CC2=CC(S(=O)(=O)NC(CC3CC3)C(=O)[O-])=CC=C21	REAL300007991911	0	39	-1.0	-49.72	339.36	6.34	-43.38
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Cl)=C2OCCCOC2=C1	REAL300007991912	0	41	-1.0	-45.67	364.56	5.06	-40.61
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991913	0	45	-1.0	-49.84	373.76	6.83	-43.01
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300007991914	0	43	-1.0	-45.45	374.34	7.41	-38.04
CC(F)(F)C1=CC=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991915	0	38	-1.0	-62.23	315.41	6.15	-56.08
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(Cl)C2=NSN=C21	REAL300007991916	0	33	-1.0	-45.43	329.91	3.35	-42.08
C=C(C)COC1=CC=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991917	0	43	-1.0	-44.83	369.30	6.20	-38.63
CCN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C2CC2)=N1	REAL300007991918	0	42	-1.0	-53.85	364.33	5.14	-48.71
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=NSN=C2C=C1	REAL300007991919	0	36	-1.0	-64.18	326.64	3.94	-60.24
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300007991920	0	38	-1.0	-44.15	350.55	7.40	-36.75
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Cl)=CC(C2=CC=CC=C2)=C1	REAL300007991921	0	42	-1.0	-44.94	378.83	8.56	-36.38
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CSC(C(F)(F)F)=N1	REAL300007991922	0	31	-1.0	-48.83	315.03	2.51	-46.32
CCC1=CC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=CC=C1Br	REAL300007991923	0	38	-1.0	-41.74	346.94	6.48	-35.26
CC1=NN(C2CCCC2)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991924	0	45	-1.0	-44.37	370.99	5.55	-38.82
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(Cl)=CS1	REAL300007991925	0	29	-1.0	-49.90	297.17	4.02	-45.88
COCCC1=CC=C(OC)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991926	0	46	-1.0	-43.86	376.28	4.90	-38.96
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC2=CC=CC=C2C=C1Cl	REAL300007991927	0	38	-1.0	-45.64	343.04	7.32	-38.32
CN1N=C2CCOCC2=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991928	0	40	-1.0	-48.07	336.80	2.25	-45.82
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=CC=C1C1CC1	REAL300007991929	0	39	-1.0	-43.72	327.79	6.75	-36.97
CC1(C)CCN(S(=O)(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300007991930	0	43	-1.0	-42.11	340.41	4.73	-37.38
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(OC2CCOCC2)C=C1	REAL300007991931	0	47	-1.0	-45.63	389.78	5.01	-40.62
COC1=NC=C(Cl)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991932	0	35	-1.0	-42.68	328.42	2.21	-40.47
COC1=NC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1C	REAL300007991933	0	38	-1.0	-49.91	334.78	1.93	-47.98
CC(C)CN1C=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=N1	REAL300007991934	0	41	-1.0	-45.24	348.61	4.73	-40.51
CC1=NN(C(C)C)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991935	0	41	-1.0	-52.67	346.77	4.11	-48.56
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CCN(CC(F)F)CC1	REAL300007991936	0	42	-1.0	-54.01	339.04	1.91	-52.10
COCC1=CC(CS(=O)(=O)NC(CC2CC2)C(=O)[O-])=NO1	REAL300007991937	0	38	-1.0	-56.91	341.83	2.36	-54.55
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F	REAL300007991938	0	37	-1.0	-39.52	333.38	6.59	-32.93
CC(C)(C)C1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])N=C1	REAL300007991939	0	43	-1.0	-47.04	360.30	5.01	-42.03
CC(C)N1N=CC=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991940	0	38	-1.0	-43.02	326.02	3.61	-39.41
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NN1CC1CC1	REAL300007991941	0	39	-1.0	-43.34	336.76	4.39	-38.95
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NN1C1=CC=CC=C1	REAL300007991942	0	39	-1.0	-53.00	332.84	5.36	-47.64
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=C(C(F)F)C=N1	REAL300007991943	0	34	-1.0	-42.73	313.85	3.47	-39.26
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CCC2=CC=CN=C21	REAL300007991944	0	37	-1.0	-49.21	322.28	5.04	-44.17
CC1=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=NN1C(C)C	REAL300007991945	0	41	-1.0	-57.66	346.78	4.18	-53.48
CC1=CC=CC=C1OC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C=C1	REAL300007991946	0	46	-1.0	-44.56	394.52	8.17	-36.39
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=NC=CC2=CC=CC=C21	REAL300007991947	0	37	-1.0	-61.60	325.44	5.05	-56.55
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CC=C(Br)CC1	REAL300007991948	0	35	-1.0	-39.20	319.42	4.33	-34.87
CN(C1CCS(=O)(=O)C1)S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991949	0	40	-1.0	-48.10	337.86	0.31	-47.79
O=C([O-])C(CC1CC1)NS(=O)(=O)N1CC2CCC(C1)O2	REAL300007991950	0	39	-1.0	-43.27	318.22	2.78	-40.49
N#CC1CCN(S(=O)(=O)NC(CC2CC2)C(=O)[O-])CC1	REAL300007991951	0	38	-1.0	-55.35	313.94	3.59	-51.76
COC1=CC=NC(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991952	0	35	-1.0	-56.32	312.92	1.93	-54.39
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C(C(F)F)=C1	REAL300007991953	0	39	-1.0	-50.91	338.23	4.70	-46.21
COC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])N=C1	REAL300007991954	0	35	-1.0	-45.39	311.07	1.92	-43.47
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991955	0	38	-1.0	-41.94	350.56	2.68	-39.26
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC=NC2=CC=CC=C21	REAL300007991956	0	37	-1.0	-45.83	321.82	5.12	-40.71
CCOC1=CC=CN=C1S(=O)(=O)NC(CC1CC1)C(=O)[O-]	REAL300007991957	0	38	-1.0	-63.86	333.43	3.88	-59.98
CC1=CC=C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])C2=NC=CC=C12	REAL300007991958	0	40	-1.0	-62.07	344.11	5.58	-56.49
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CNC2=CC=CC=C21	REAL300007991959	0	36	-1.0	-48.72	306.57	4.06	-44.66
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CC(C(F)F)=CC=N1	REAL300007991960	0	34	-1.0	-61.05	317.54	3.55	-57.50
O=C([O-])C(CC1CC1)NS(=O)(=O)C1=CNC2=CC(C(F)(F)F)=CC=C12	REAL300007991961	0	39	-1.0	-53.01	360.61	5.43	-47.58
CC1=CC=C(OC(C)C)C(S(=O)(=O)NC(CC2CC2)C(=O)[O-])=C1	REAL300007991962	0	45	-1.0	-46.17	363.82	6.71	-39.46
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NS(=O)(=O)C1=CC=CC=C1	REAL300007991963	0	39	-1.0	-42.26	361.48	5.90	-36.36
CN(C)S(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991964	0	37	-1.0	-49.97	337.04	2.94	-47.03
CCCCN(C)S(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991965	0	46	-1.0	-50.20	400.65	5.40	-44.80
CCCCS(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991966	0	41	-1.0	-51.87	367.57	5.07	-46.80
CCS(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991967	0	35	-1.0	-52.42	324.82	3.46	-48.96
CS(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991968	0	32	-1.0	-52.63	303.36	2.56	-50.07
CCCS(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991969	0	38	-1.0	-52.20	346.32	4.26	-47.94
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NS(=O)(=O)C1=CC=CS1	REAL300007991970	0	36	-1.0	-51.32	353.83	4.83	-46.49
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NS(=O)(=O)N1CCOCC1	REAL300007991971	0	42	-1.0	-49.12	353.33	2.00	-47.12
CN1C=C(S(=O)(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C=N1	REAL300007991972	0	39	-1.0	-50.35	366.43	3.51	-46.84
CCN(CC)S(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991973	0	43	-1.0	-50.37	370.33	4.34	-46.03
CC1=NNC=C1S(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991974	0	39	-1.0	-42.81	359.29	2.68	-40.13
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NS(=O)(=O)CCC1CC1	REAL300007991975	0	42	-1.0	-51.99	377.93	5.83	-46.16
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NS(=O)(=O)CC1=NOC=C1	REAL300007991976	0	38	-1.0	-57.53	359.48	3.81	-53.72
COCCC(C)S(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991977	0	45	-1.0	-52.21	386.98	3.86	-48.35
CCC(C)CS(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991978	0	44	-1.0	-52.35	380.27	5.65	-46.70
COCC(C)CS(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991979	0	45	-1.0	-52.62	394.99	4.10	-48.52
CC(C)(C)CCS(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991980	0	47	-1.0	-52.04	401.55	5.97	-46.07
CC1CCN(S(=O)(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])C1	REAL300007991981	0	44	-1.0	-42.18	386.43	4.82	-37.36
CC(C)CN(C)S(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991982	0	46	-1.0	-39.86	399.25	5.48	-34.38
CCN(C)S(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991983	0	40	-1.0	-50.48	357.88	3.86	-46.62
CCCN(C)S(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991984	0	43	-1.0	-50.36	379.38	4.60	-45.76
COC(C)CS(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991985	0	42	-1.0	-53.63	377.15	3.72	-49.91
CN1N=NC=C1S(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991986	0	38	-1.0	-46.34	354.48	2.17	-44.17
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NS(=O)(=O)CCC1CCC1	REAL300007991987	0	45	-1.0	-40.55	393.97	6.38	-34.17
COCC1(S(=O)(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])CC1	REAL300007991988	0	43	-1.0	-41.88	385.55	4.97	-36.91
CN1C=CC(S(=O)(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])=N1	REAL300007991989	0	39	-1.0	-48.17	366.68	3.42	-44.75
CCS(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991990	0	35	-1.0	-52.42	324.82	3.46	-48.96
CCCCS(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991991	0	41	-1.0	-51.87	367.57	5.07	-46.80
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NS(=O)(=O)N1CCCCC1	REAL300007991992	0	44	-1.0	-41.24	380.02	5.10	-36.14
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NS(=O)(=O)N1CCCC1	REAL300007991993	0	41	-1.0	-50.92	362.03	4.06	-46.86
CN1C=NC(S(=O)(=O)NC(CC2=CC=C(OC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300007991994	0	39	-1.0	-52.78	360.35	5.48	-47.30
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NS(=O)(=O)C1=CC=CN=C1	REAL300007991995	0	38	-1.0	-41.96	356.47	4.11	-37.85
CC(C)N(C)S(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007991996	0	43	-1.0	-50.86	365.74	3.92	-46.94
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NS(=O)(=O)C1CC1	REAL300007991997	0	36	-1.0	-52.10	335.14	4.40	-47.70
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NS(=O)(=O)CC1CCCC1	REAL300007991998	0	45	-1.0	-39.31	384.78	6.23	-33.08
O=C([O-])C(CC1=CC=C(OC(F)(F)F)C=C1)NS(=O)(=O)C1=CSC=C1	REAL300007991999	0	36	-1.0	-40.72	352.93	4.78	-35.94
CN(C1CC1)S(=O)(=O)NC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)[O-]	REAL300007992000	0	41	-1.0	-50.43	358.76	4.12	-46.31