CC1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1C1=CC=CC=C1	REAL300008000013	0	44	-2.0	-140.09	365.27	8.80	-131.29
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C(Cl)C(Cl)=C2)=C1	REAL300008000101	1	31	-2.0	-91.64	345.49	5.10	-86.54
CC1=C(S(=O)(=O)[N-]C2CCOC3(CC(C(=O)[O-])C3)C2)C(N)=NO1	REAL300008002050	1	40	-2.0	-93.82	335.83	1.33	-92.49
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CCOC3(CC(C(=O)[O-])C3)C2)=N1	REAL300008002081	0	41	-2.0	-112.14	354.04	2.92	-109.22
CCN1N=CC(S(=O)(=O)[N-]C2CCOC3(CC(C(=O)[O-])C3)C2)=N1	REAL300008002181	1	41	-2.0	-98.90	347.66	0.79	-98.11
COC1=CC(F)=C(S(=O)(=O)[N-]C2CCOC3(CC(C(=O)[O-])C3)C2)C(F)=C1	REAL300008002192	1	43	-2.0	-105.13	365.65	3.54	-101.59
O=C([O-])[C@@H](F)C[N-]S(=O)(=O)C1=CC=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300008002267	1	29	-2.0	-101.12	294.63	4.26	-96.86
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CC3C2)C=C1C(=O)[O-]	REAL300008004093	0	38	-2.0	-134.03	337.58	6.45	-127.58
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC3CC3C2)=C1	REAL300008004096	1	32	-2.0	-95.33	306.21	3.67	-91.66
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC3CCC(C2)S3)C=C1C(=O)[O-]	REAL300008004198	0	42	-2.0	-135.59	359.57	7.00	-128.59
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC3CCC(C2)S3)=C1	REAL300008004202	1	36	-2.0	-93.94	330.85	4.31	-89.63
CC1=NC(C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)C2)=NO1	REAL300008004336	0	39	-2.0	-137.64	358.28	4.06	-133.58
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@@H]3CSC[C@@H]3C2)C=C1C(=O)[O-]	REAL300008004456	0	36	-2.0	-141.82	328.77	6.49	-135.33
COC1=CC=C(F)C=C1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008004563	0	41	-2.0	-137.65	377.72	6.24	-131.41
COC1=CC=C(F)C=C1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008004567	1	35	-2.0	-98.66	348.28	3.55	-95.11
O=C([O-])C1=CC=C(S(=O)(=O)NCC[C@@H]2C[C@H]2C2CC2)C=C1C(=O)[O-]	REAL300008006096	0	41	-2.0	-134.83	368.27	7.61	-127.22
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008006100	1	35	-2.0	-94.56	338.85	4.93	-89.63
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S1	REAL300008011194	1	29	-2.0	-109.03	300.14	3.66	-105.37
CCN1C=C(S(=O)(=O)[N-]CC2=NC=C(C(=O)[O-])S2)C([N+](=O)[O-])=N1	REAL300008011315	1	32	-2.0	-105.21	329.36	2.91	-102.30
CN1C=C(S(=O)(=O)[N-]CC2=NC=C(C(=O)[O-])S2)C(C(F)(F)F)=N1	REAL300008011370	1	30	-2.0	-100.08	319.03	0.91	-99.17
CC1=C(S(=O)(=O)[N-]CC2=NC=C(C(=O)[O-])S2)C(N)=NO1	REAL300008011423	1	28	-2.0	-91.45	286.58	-0.62	-92.07
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=CN=C(C3CC3)S2)S1	REAL300008011451	1	30	-2.0	-96.88	318.79	1.51	-95.37
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=NC=C(C(=O)[O-])S2)=N1	REAL300008011458	0	29	-2.0	-109.48	306.14	0.99	-108.49
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=C(Cl)C=CC3=C2OCCO3)S1	REAL300008011492	1	33	-2.0	-104.29	332.72	2.65	-101.64
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=CSC=C2C(F)(F)F)S1	REAL300008011532	1	27	-2.0	-98.42	299.05	2.46	-95.96
CC1=NC(S(=O)(=O)[N-]CC2=NC=C(C(=O)[O-])S2)=C(C2=CC=CC=C2)O1	REAL300008011565	1	36	-2.0	-107.16	353.36	1.21	-105.95
CCN1N=CC(S(=O)(=O)[N-]CC2=NC=C(C(=O)[O-])S2)=N1	REAL300008011578	1	29	-2.0	-97.92	299.75	-1.14	-99.06
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=NC=C(C(=O)[O-])S2)C(F)=C1	REAL300008011590	1	31	-2.0	-101.75	317.04	1.59	-100.16
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=CSC(C(F)(F)F)=N2)S1	REAL300008011602	1	26	-2.0	-96.00	306.38	-0.00	-96.00
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=C(Cl)OC=C2)S1	REAL300008011604	1	24	-2.0	-96.19	277.82	0.51	-95.68
O=C([O-])C1=CN=C(C[N-]S(=O)(=O)C2=CN=CS2)S1	REAL300008011644	1	23	-2.0	-94.90	265.62	-0.88	-95.78
CC1COCC1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008020002	1	29	-2.0	-95.44	282.43	0.58	-94.86
COC(C)(C)C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008020189	0	40	-2.0	-132.62	342.14	3.94	-128.68
COC(C)(C)C(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008020193	1	34	-2.0	-96.60	310.22	1.47	-95.13
O=C([O-])C1=CC=C(S(=O)(=O)NC(C2CCCC2)C2CCCC2)C=C1C(=O)[O-]	REAL300008021102	0	50	-2.0	-140.50	392.77	8.91	-131.59
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C(C2CCCC2)C2CCCC2)=C1	REAL300008021106	1	44	-2.0	-100.02	364.48	6.13	-93.89
CS(=O)CCCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008021208	0	35	-2.0	-141.15	337.37	2.39	-138.76
CS(=O)CCC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008021212	1	29	-2.0	-104.52	307.91	-0.29	-104.81
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2OCCC3=CC=CC=C32)=C1	REAL300008021367	1	39	-2.0	-99.91	362.60	4.23	-95.68
CCCC(NS(=O)(=O)C1=CC=C(OC)C=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300008022038	0	45	-2.0	-105.15	396.60	1.04	-104.11
CCCC([N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1)C(=O)[O-]	REAL300008022053	1	33	-2.0	-128.11	306.42	4.58	-123.53
CCCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022165	1	35	-2.0	-132.06	318.65	5.07	-126.99
CCCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008022208	1	33	-2.0	-128.29	309.04	2.98	-125.31
CCCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008022269	0	32	-2.0	-140.94	303.40	2.43	-138.51
CCCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008022358	1	39	-2.0	-142.64	350.80	2.50	-140.14
CCCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008022374	1	34	-2.0	-137.87	308.24	3.69	-134.18
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C(C2CC2)=N1	REAL300008032001	0	40	-2.0	-135.60	361.64	5.38	-130.22
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(OC(F)F)C=C2)=C1	REAL300008032002	0	37	-2.0	-135.28	345.58	5.04	-130.24
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC4=CC=CN=C43)C=CC=C21	REAL300008032003	0	38	-2.0	-154.10	350.88	3.87	-150.23
CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C(C2CCC2)=N1	REAL300008032005	0	43	-2.0	-136.20	377.86	5.87	-130.33
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CN(CC3CCC3)N=C2)=C1	REAL300008032006	0	43	-2.0	-132.00	380.31	6.11	-125.89
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=C(C3CC3)C=CS2)=C1	REAL300008032007	0	37	-2.0	-140.99	343.08	6.66	-134.33
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032008	0	42	-2.0	-139.27	370.73	7.67	-131.60
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032009	0	40	-2.0	-131.76	351.01	5.05	-126.71
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032011	0	39	-2.0	-135.93	336.11	7.14	-128.79
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032012	0	42	-2.0	-125.25	353.32	5.37	-119.88
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=N1	REAL300008032013	0	42	-2.0	-132.71	370.83	5.18	-127.53
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CNN=C2C2CCC2)=C1	REAL300008032014	0	40	-2.0	-132.62	354.89	4.55	-128.07
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032015	0	36	-2.0	-126.19	327.50	3.74	-122.45
CC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1C	REAL300008032016	0	39	-2.0	-139.07	338.42	6.79	-132.28
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032017	0	44	-2.0	-147.66	390.92	7.49	-140.17
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC3=CC=CC=C3CCC2)=C1	REAL300008032018	0	44	-2.0	-140.51	375.96	8.51	-132.00
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)CC2=NOC3=C2COCC3)=C1	REAL300008032021	0	40	-2.0	-140.02	358.79	3.87	-136.15
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=CC(C3CC3)=C2)=C1	REAL300008032023	0	40	-2.0	-139.03	355.56	7.57	-131.46
COC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=CS1	REAL300008032024	0	34	-2.0	-141.09	328.60	3.89	-137.20
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=NN2C2CCCC2)=C1	REAL300008032025	0	43	-2.0	-129.79	371.15	6.06	-123.73
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032026	0	42	-2.0	-128.82	366.30	5.36	-123.46
CCC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)O1	REAL300008032028	0	36	-2.0	-135.19	332.42	5.07	-130.12
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032030	0	39	-2.0	-135.73	359.55	6.99	-128.74
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=CC(OC(F)F)=C2)=C1	REAL300008032031	0	37	-2.0	-135.42	345.60	5.04	-130.38
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)S1	REAL300008032032	0	34	-2.0	-132.20	330.12	3.91	-128.29
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CN(CCF)N=C2)=C1	REAL300008032033	0	36	-2.0	-128.49	339.01	4.16	-124.33
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032034	0	43	-2.0	-140.25	383.26	6.15	-134.10
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=CC=C2CF)=C1	REAL300008032035	0	36	-2.0	-140.53	326.90	6.43	-134.10
CC1=CN=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032036	0	35	-2.0	-132.73	322.79	4.32	-128.41
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C2=CC=CC=C12	REAL300008032037	0	42	-2.0	-148.08	365.11	8.30	-139.78
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C=CC2=CC=C(F)C=C2)=C1	REAL300008032039	1	37	-2.0	-130.14	344.65	6.71	-123.43
CCOCCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032040	0	39	-2.0	-133.07	346.60	4.03	-129.04
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)CCC2NC(=O)NC2=O)=C1	REAL300008032041	0	38	-2.0	-134.14	348.92	-0.52	-134.66
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CN=C3C=CC=CN23)=C1	REAL300008032042	0	36	-2.0	-139.46	333.34	5.80	-133.66
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2CCC(F)(F)CC2)=C1	REAL300008032043	1	39	-2.0	-132.50	342.36	6.00	-126.50
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C3SC=NC3=C2)=C1	REAL300008032044	0	35	-2.0	-137.36	337.28	4.85	-132.51
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)CCOC2CCOC2)=C1	REAL300008032045	0	41	-2.0	-129.69	360.56	2.72	-126.97
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)CC2COCCO2)=C1	REAL300008032046	0	38	-2.0	-136.89	334.09	2.89	-134.00
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)CCN2C=NN=N2)=C1	REAL300008032047	0	34	-2.0	-126.39	320.52	3.41	-122.98
CC1(C)COC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C1	REAL300008032048	0	43	-2.0	-139.33	365.75	4.82	-134.51
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)CC2CS(=O)(=O)C2)=C1	REAL300008032049	0	36	-2.0	-137.59	336.72	1.21	-136.38
CC(C)(CS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21)C(C)(F)F	REAL300008032050	0	41	-2.0	-131.46	344.72	5.97	-125.49
CS(=O)(=O)CCCCS(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032051	1	41	-2.0	-140.32	376.21	2.32	-138.00
CC1(C)CCC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)OC1	REAL300008032052	0	46	-2.0	-138.32	380.45	5.64	-132.68
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)=C1	REAL300008032053	1	43	-2.0	-132.60	376.25	7.82	-124.78
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)=C1	REAL300008032054	0	42	-2.0	-140.06	358.46	2.89	-137.17
COCCC1(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)CC1	REAL300008032055	0	40	-2.0	-136.05	352.32	4.57	-131.48
CCN1N=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=N1	REAL300008032056	0	35	-2.0	-131.36	327.05	2.33	-129.03
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)=C1	REAL300008032057	0	46	-2.0	-135.18	373.31	7.53	-127.65
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C3CC3)S2)=C1	REAL300008032058	0	37	-2.0	-136.62	350.16	6.78	-129.84
COC1=CC=C(C=C(C)S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1	REAL300008032059	1	44	-2.0	-134.34	383.97	6.56	-127.78
CO[C@@H]1COC[C@@H]1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032060	0	38	-2.0	-137.00	334.17	2.40	-134.60
CC1=COC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032061	0	33	-2.0	-134.15	310.92	4.14	-130.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)O1	REAL300008032062	0	33	-2.0	-135.07	310.94	4.28	-130.79
CCC1=NNC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032063	0	36	-2.0	-128.73	326.23	3.31	-125.42
COC1=CSC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1OC	REAL300008032064	0	38	-2.0	-138.66	359.29	3.47	-135.19
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C(F)=C1	REAL300008032067	0	37	-2.0	-140.08	344.33	5.05	-135.03
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032068	0	39	-2.0	-131.82	349.74	5.46	-126.36
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC(C(=O)[O-])=CC4=CC=CN=C43)=CC=C21	REAL300008032069	0	40	-2.0	-144.04	360.05	7.22	-136.82
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032070	0	39	-2.0	-150.26	344.17	7.29	-142.97
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032071	0	44	-2.0	-140.24	390.01	7.09	-133.15
CCN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C(C2CC2)=N1	REAL300008032072	0	43	-2.0	-135.82	383.15	6.26	-129.56
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=C(Cl)OC=C2)=C1	REAL300008032073	0	30	-2.0	-130.84	305.08	3.96	-126.88
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(Cl)=CS2)=C1	REAL300008032074	0	30	-2.0	-128.67	315.15	4.97	-123.70
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032075	0	41	-2.0	-127.89	358.64	3.21	-124.68
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=CC=C2C2CC2)=C1	REAL300008032076	0	40	-2.0	-142.27	349.89	7.63	-134.64
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032078	0	36	-2.0	-133.35	349.05	3.14	-130.21
COC1=NC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1C	REAL300008032079	0	39	-2.0	-128.91	353.65	2.88	-126.03
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=N1	REAL300008032080	0	42	-2.0	-132.04	373.75	5.56	-126.48
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032081	0	42	-2.0	-132.80	371.76	5.14	-127.66
COCC1=CC(CS(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=NO1	REAL300008032082	0	39	-2.0	-135.53	360.07	3.41	-132.12
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)N=C1	REAL300008032083	0	44	-2.0	-140.19	378.73	5.87	-134.32
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032084	0	39	-2.0	-127.86	348.06	4.74	-123.12
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=NN2CC2CC2)=C1	REAL300008032085	0	40	-2.0	-127.01	358.55	5.60	-121.41
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)=C1	REAL300008032086	0	40	-2.0	-133.12	360.07	6.60	-126.52
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=C(C(F)F)C=N2)=C1	REAL300008032087	0	35	-2.0	-136.65	336.42	4.48	-132.17
CC1=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=NN1C(C)C	REAL300008032089	0	42	-2.0	-134.16	369.43	5.27	-128.89
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=NC=CC3=CC=CC=C32)=C1	REAL300008032090	0	38	-2.0	-151.59	343.65	5.86	-145.73
CC1=CN=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C(C)=C1	REAL300008032091	0	38	-2.0	-142.81	339.34	5.04	-137.77
CC1=CN=CC=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032092	0	35	-2.0	-129.43	317.35	4.44	-124.99
COC1=CC=NC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300008032096	0	36	-2.0	-141.32	331.93	2.89	-138.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)N=C1	REAL300008032098	0	36	-2.0	-137.62	331.76	2.84	-134.78
CC1=CC=CN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032099	0	35	-2.0	-143.30	318.64	4.30	-139.00
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC=NC3=CC=CC=C32)=C1	REAL300008032100	0	38	-2.0	-136.67	342.98	5.88	-130.79
CCOC1=CC=CN=C1S(=O)(=O)[N-]C1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300008032101	0	39	-2.0	-152.81	352.20	4.57	-148.24
CC1=CC=C(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)C2=NC=CC=C12	REAL300008032102	0	41	-2.0	-155.51	364.07	6.62	-148.89
CC1=CC(S(=O)(=O)[N-]C2=CC(C(=O)[O-])=CC3=CC=CN=C32)=CC=N1	REAL300008032103	0	35	-2.0	-129.81	323.13	4.32	-125.49
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CNC3=CC=CC=C23)=C1	REAL300008032104	0	37	-2.0	-143.73	340.08	5.43	-138.30
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CN=CS2)=C1	REAL300008032106	0	29	-2.0	-129.74	292.92	2.58	-127.16
O=C([O-])C1=CC2=CC=CN=C2C([N-]S(=O)(=O)C2=CC(C(F)F)=CC=N2)=C1	REAL300008032107	0	35	-2.0	-146.84	336.54	4.50	-142.34
O=C([O-])C1=CC=CC=C1CC[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008032259	1	37	-2.0	-127.46	341.51	5.67	-121.79
CCN1C=C(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008032400	1	39	-2.0	-131.44	355.30	6.09	-125.35
CN1C=C(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])C(C(F)(F)F)=N1	REAL300008032451	1	37	-2.0	-131.37	343.92	4.05	-127.32
O=C([O-])C1=CC=CC=C1CC[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008032454	1	37	-2.0	-134.99	335.10	5.60	-129.39
CC1=C(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])C(N)=NO1	REAL300008032504	1	35	-2.0	-120.00	311.41	2.60	-117.40
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])=N1	REAL300008032537	0	36	-2.0	-146.54	332.08	4.19	-142.35
CC1=NC(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008032644	1	43	-2.0	-134.99	378.65	4.44	-130.55
CCN1N=CC(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])=N1	REAL300008032657	1	36	-2.0	-128.53	326.03	2.07	-126.46
COC1=CC(F)=C(S(=O)(=O)[N-]CCC2=CC=CC=C2C(=O)[O-])C(F)=C1	REAL300008032668	1	38	-2.0	-134.43	343.27	4.79	-129.64
CC(CN1C=NC2=CC=CC=C21)([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008035154	1	43	-2.0	-125.32	369.31	6.77	-118.55
CC1=C(S(=O)(=O)[N-]C(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C(N)=NO1	REAL300008035179	1	41	-2.0	-112.05	346.00	3.80	-108.25
CCN1N=CC(S(=O)(=O)[N-]C(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])=N1	REAL300008035209	1	42	-2.0	-120.60	360.73	3.38	-117.22
O=C([O-])C(CN1C=CC=N1)[N-]S(=O)(=O)C1=CC2=CC(F)=CC=C2O1	REAL300008035367	1	34	-2.0	-129.47	331.57	3.37	-126.10
CCN1C=C(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300008035508	1	36	-2.0	-132.42	336.25	4.75	-127.67
CN1C=C(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300008035563	1	34	-2.0	-129.73	321.26	2.81	-126.92
O=C([O-])C(CN1C=CC=N1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008035566	1	34	-2.0	-139.16	320.04	3.90	-135.26
CC1=C(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])C(N)=NO1	REAL300008035615	1	32	-2.0	-121.67	295.12	1.15	-120.52
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])=N1	REAL300008035650	0	33	-2.0	-147.98	317.38	2.52	-145.46
CC1=NC(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])=C(C2=CC=CC=C2)O1	REAL300008035758	1	40	-2.0	-144.02	362.69	2.60	-141.42
CCN1N=CC(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])=N1	REAL300008035771	1	33	-2.0	-131.40	309.39	0.65	-130.75
COC1=CC(F)=C(S(=O)(=O)[N-]C(CN2C=CC=N2)C(=O)[O-])C(F)=C1	REAL300008035781	1	35	-2.0	-136.49	333.38	2.48	-134.01
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC3CCC(C3)C2)C=C1C(=O)[O-]	REAL300008038026	0	41	-2.0	-134.66	334.81	7.47	-127.19
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=C(C(=O)[O-])SC=C1)C1=CC=CC=C1	REAL300008038126	1	43	-2.0	-131.87	379.70	7.53	-124.34
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038129	1	46	-2.0	-143.27	393.68	8.21	-135.06
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CN(CC(=O)[O-])N=C1)C1=CC=CC=C1	REAL300008038131	1	46	-2.0	-104.64	400.38	5.87	-98.77
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300008038132	1	43	-2.0	-102.45	388.09	6.88	-95.57
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038133	0	43	-2.0	-126.81	373.18	4.65	-122.16
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038136	1	46	-2.0	-143.27	393.68	8.21	-135.06
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300008038137	0	43	-2.0	-107.98	380.58	6.12	-101.86
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300008038142	0	43	-2.0	-107.98	380.58	6.12	-101.86
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CS1)C1=CC=CC=C1	REAL300008038144	1	43	-2.0	-106.91	389.01	6.77	-100.14
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CSC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038145	1	43	-2.0	-108.09	387.47	6.78	-101.31
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CO1)C1=CC=CC=C1	REAL300008038146	0	43	-2.0	-106.45	380.82	5.86	-100.59
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CN=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038148	1	45	-2.0	-103.96	391.00	5.95	-98.01
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038149	0	42	-2.0	-131.63	374.14	5.99	-125.64
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)C1=CC=CC=C1	REAL300008038150	0	42	-2.0	-133.35	377.37	5.46	-127.89
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=CN=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038151	1	45	-2.0	-138.82	383.04	6.92	-131.90
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=C(C(=O)[O-])N=C1)C1=CC=CC=C1	REAL300008038153	1	45	-2.0	-101.16	391.68	5.96	-95.20
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=C(C(=O)[O-])C=CO1)C1=CC=CC=C1	REAL300008038158	0	43	-2.0	-125.56	374.27	6.46	-119.10
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038160	0	43	-2.0	-126.81	373.18	4.65	-122.16
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC(C(=O)[O-])=CC=N1)C1=CC=CC=C1	REAL300008038162	1	45	-2.0	-110.11	398.63	5.72	-104.39
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CC=NC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038163	1	45	-2.0	-109.94	397.73	5.88	-104.06
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038164	1	43	-2.0	-103.41	379.34	4.00	-99.41
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=NNC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008038170	1	43	-2.0	-103.41	379.34	4.00	-99.41
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=NNC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038172	0	43	-2.0	-126.81	373.18	4.65	-122.16
CC(C)(C)OC(=O)[C@@H]([N-]S(=O)(=O)C1=CN=CC=C1C(=O)[O-])C1=CC=CC=C1	REAL300008038174	1	45	-2.0	-128.66	381.77	6.85	-121.81
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCC(C3=CC=CC=C3)CC2)=C1	REAL300008038231	1	44	-2.0	-97.02	378.66	6.97	-90.05
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC23CCCOC3)C=C1C(=O)[O-]	REAL300008043017	0	42	-2.0	-139.81	341.31	7.13	-132.68
O=C([O-])C1C[C@@H]2C[C@H]([N-]S(=O)(=O)C3=CC4=CC(F)=CC=C4O3)[C@@H]2C1	REAL300008043201	1	38	-2.0	-101.69	334.26	5.55	-96.14
CCN1C=C(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C([N+](=O)[O-])=N1	REAL300008043342	1	40	-2.0	-108.50	348.61	5.94	-102.56
CN1C=C(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(C(F)(F)F)=N1	REAL300008043397	1	38	-2.0	-103.63	338.28	3.96	-99.67
O=C([O-])C1C[C@@H]2C[C@H]([N-]S(=O)(=O)C3=CC4=CC=CC=C4O3)[C@@H]2C1	REAL300008043400	1	38	-2.0	-107.37	327.85	5.48	-101.89
CC1=C(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(N)=NO1	REAL300008043449	1	36	-2.0	-96.04	304.53	2.49	-93.55
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=N1	REAL300008043484	0	37	-2.0	-123.07	322.42	4.58	-118.49
CC1=NC(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C(C2=CC=CC=C2)O1	REAL300008043592	1	44	-2.0	-113.04	372.72	4.25	-108.79
CCN1N=CC(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=N1	REAL300008043605	1	37	-2.0	-112.62	319.55	1.90	-110.72
COC1=CC(F)=C(S(=O)(=O)[N-][C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(F)=C1	REAL300008043615	1	39	-2.0	-106.65	336.05	4.66	-101.99
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCSCC2C2CC2)C=C1C(=O)[O-]	REAL300008043755	0	42	-2.0	-135.93	349.40	8.40	-127.53
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CCS(=O)(=O)N2)C=C1C(=O)[O-]	REAL300008053010	0	36	-2.0	-154.15	339.03	-0.42	-154.57
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CCS(=O)(=O)N2)=C1	REAL300008053014	1	30	-2.0	-103.44	311.25	-3.20	-106.64
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067001	0	42	-2.0	-133.98	351.18	6.77	-127.21
CNC(=O)C1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CN1C	REAL300008067002	0	42	-2.0	-126.10	358.34	2.92	-123.18
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300008067003	0	44	-2.0	-123.11	345.11	5.82	-117.29
COC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300008067004	0	44	-2.0	-122.62	347.71	5.59	-117.03
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300008067005	0	42	-2.0	-125.54	337.63	6.33	-119.21
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CN=CC=C32)CC1	REAL300008067006	0	39	-2.0	-125.18	324.38	5.83	-119.35
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300008067007	0	39	-2.0	-121.00	345.71	5.96	-115.04
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067008	0	42	-2.0	-130.72	357.55	6.52	-124.20
CN(C1CC1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067009	0	36	-2.0	-121.09	298.65	3.86	-117.23
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300008067010	0	44	-2.0	-126.31	380.42	6.83	-119.48
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3NC=CC=C23)CC1	REAL300008067011	0	37	-2.0	-138.04	321.04	4.40	-133.64
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067012	0	56	-2.0	-123.97	434.25	8.30	-115.67
CC1=CC=CC(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067013	0	40	-2.0	-125.73	339.65	6.65	-119.08
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(F)=C2)CC1	REAL300008067014	0	37	-2.0	-125.25	324.66	6.07	-119.18
CC1=CC=CC=C1CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067015	0	40	-2.0	-124.36	333.08	6.51	-117.85
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067016	0	44	-2.0	-127.01	360.00	6.69	-120.32
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)CC1	REAL300008067017	0	39	-2.0	-133.03	342.73	5.43	-127.60
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300008067018	0	41	-2.0	-126.51	355.02	6.38	-120.13
CCCCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067019	0	50	-2.0	-122.04	409.36	7.82	-114.22
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2CCCC3)CC1	REAL300008067020	0	44	-2.0	-124.81	338.71	7.35	-117.46
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)CC1	REAL300008067021	0	40	-2.0	-126.81	341.98	7.03	-119.78
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3COCC3=C2)CC1	REAL300008067022	0	39	-2.0	-122.53	330.43	4.55	-117.98
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC3=CC=CN=C32)CC1	REAL300008067023	0	42	-2.0	-133.95	358.14	6.53	-127.42
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC1	REAL300008067024	0	40	-2.0	-130.38	335.57	1.68	-128.70
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2)CC1	REAL300008067025	0	39	-2.0	-125.90	341.79	5.41	-120.49
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300008067026	0	44	-2.0	-123.03	348.90	5.78	-117.25
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2OC(F)F)CC1	REAL300008067027	0	38	-2.0	-125.34	326.63	5.37	-119.97
CSC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067028	0	38	-2.0	-122.36	333.72	6.25	-116.11
CCCCCCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067029	0	45	-2.0	-122.60	364.86	6.82	-115.78
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300008067030	0	40	-2.0	-125.39	357.30	7.02	-118.37
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067031	0	45	-2.0	-124.62	368.22	7.27	-117.35
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1C	REAL300008067032	0	40	-2.0	-130.51	340.00	5.06	-125.45
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCO3)CC1	REAL300008067033	0	40	-2.0	-126.81	328.85	4.80	-122.01
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=NC=CC=C32)CC1	REAL300008067034	0	39	-2.0	-125.00	324.58	5.34	-119.66
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCO2)CC1	REAL300008067035	0	38	-2.0	-126.20	312.93	3.56	-122.64
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CCCCO2)CC1	REAL300008067036	0	41	-2.0	-125.72	331.96	4.50	-121.22
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300008067037	0	40	-2.0	-122.28	348.88	6.77	-115.51
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3C(=O)CCCC3=C2)CC1	REAL300008067038	0	43	-2.0	-124.31	359.29	6.85	-117.46
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C12	REAL300008067039	0	42	-2.0	-124.61	360.77	4.98	-119.63
COC1=CC=C(Cl)C=C1CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067040	0	41	-2.0	-127.05	363.15	5.88	-121.17
COCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067041	0	41	-2.0	-123.69	349.52	4.97	-118.72
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2O1	REAL300008067042	0	45	-2.0	-130.23	368.96	6.57	-123.66
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008067043	0	37	-2.0	-125.17	320.52	3.82	-121.35
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC=C2Cl)CC1	REAL300008067044	0	37	-2.0	-125.39	330.76	6.38	-119.01
CC(C1CC1)N(C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067045	0	42	-2.0	-121.92	332.30	5.09	-116.83
CN1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067046	0	34	-2.0	-119.27	291.91	2.69	-116.58
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)CC1	REAL300008067047	0	37	-2.0	-126.82	345.12	6.88	-119.94
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CCOC2)CC1	REAL300008067048	0	38	-2.0	-123.67	312.77	3.12	-120.55
CC1CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C2O1	REAL300008067049	0	42	-2.0	-123.93	351.51	5.87	-118.06
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067050	0	46	-2.0	-123.37	343.30	7.75	-115.62
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)CC1	REAL300008067051	0	40	-2.0	-126.34	360.87	5.95	-120.39
CCCCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067052	0	39	-2.0	-122.41	321.87	5.25	-117.16
COCCN(C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067053	0	39	-2.0	-124.92	323.83	3.05	-121.87
CN(CC1CC1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067054	0	39	-2.0	-124.14	313.66	4.48	-119.66
CC1=NC(C2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)=CO1	REAL300008067055	0	43	-2.0	-127.37	369.91	4.30	-123.07
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300008067056	0	37	-2.0	-128.45	321.89	3.64	-124.81
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)O1	REAL300008067057	0	37	-2.0	-121.33	311.78	4.63	-116.70
CC1=CSC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067058	0	34	-2.0	-121.88	308.01	4.92	-116.96
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3O2)CC1	REAL300008067059	0	37	-2.0	-125.45	323.29	5.62	-119.83
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCOC3=C2)CC1	REAL300008067060	0	37	-2.0	-122.64	320.49	3.91	-118.73
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008067061	0	37	-2.0	-121.98	321.62	1.94	-120.04
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CO2)CC1	REAL300008067062	0	31	-2.0	-122.72	277.12	3.25	-119.47
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3CCCN23)CC1	REAL300008067063	0	38	-2.0	-126.14	322.42	4.70	-121.44
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=COC=C2)CC1	REAL300008067064	0	31	-2.0	-122.66	276.98	3.14	-119.52
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=C1	REAL300008067065	0	34	-2.0	-122.62	298.83	4.94	-117.68
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCCC3=C2)CC1	REAL300008067066	0	42	-2.0	-124.56	348.15	5.88	-118.68
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2CC3=CC=CC=C3C2)CC1	REAL300008067067	0	41	-2.0	-124.98	337.39	7.06	-117.92
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2CCOC2)CC1	REAL300008067068	0	35	-2.0	-121.89	289.73	2.29	-119.60
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC=N2)CC1	REAL300008067069	0	31	-2.0	-128.91	275.74	2.65	-126.26
CC1=CC=C(N2C=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=N2)C=C1	REAL300008067070	0	44	-2.0	-126.56	376.42	7.05	-119.51
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300008067071	0	39	-2.0	-120.04	338.65	6.43	-113.61
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCCCF)CC1	REAL300008067072	0	36	-2.0	-123.56	306.96	4.61	-118.95
CC1=NN(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067073	0	37	-2.0	-126.00	310.14	3.39	-122.61
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300008067074	0	34	-2.0	-123.12	299.03	4.07	-119.05
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N(C)N=C1	REAL300008067075	0	37	-2.0	-119.90	308.33	3.63	-116.27
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3C=CSC3=C2)CC1	REAL300008067076	0	36	-2.0	-124.21	326.44	4.75	-119.46
CN(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067077	0	42	-2.0	-124.99	345.01	5.64	-119.35
CC1=CC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C=C1	REAL300008067078	0	43	-2.0	-125.19	361.74	8.19	-117.00
COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=C1	REAL300008067079	0	35	-2.0	-127.35	312.98	3.87	-123.48
C=CCCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067080	0	37	-2.0	-123.50	314.14	5.09	-118.41
CN(C)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067081	0	42	-2.0	-124.72	345.95	5.64	-119.08
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CCC2)CC1	REAL300008067082	0	37	-2.0	-122.53	306.00	5.00	-117.53
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCC3)CC1	REAL300008067083	0	39	-2.0	-127.67	326.87	5.14	-122.53
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC3=CC=CC=C32)CC1	REAL300008067084	0	39	-2.0	-128.07	341.60	5.33	-122.74
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCOC3=C2)CC1	REAL300008067085	0	39	-2.0	-125.24	329.32	5.08	-120.16
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2=CC=C(Cl)C=C2)CC1	REAL300008067086	0	40	-2.0	-124.19	356.48	7.29	-116.90
CN1CCCC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C21	REAL300008067087	0	46	-2.0	-124.47	368.94	5.81	-118.66
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)CC1	REAL300008067088	0	36	-2.0	-120.47	329.17	4.50	-115.97
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067089	0	42	-2.0	-130.31	348.45	5.74	-124.57
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067090	0	42	-2.0	-124.74	342.18	6.71	-118.03
CC1=CC=C(C)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300008067091	0	42	-2.0	-131.62	345.39	8.06	-123.56
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300008067092	0	42	-2.0	-121.02	344.81	6.88	-114.14
COC1=CC=C(CCS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067093	0	44	-2.0	-125.95	369.25	6.06	-119.89
COC1=CN=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067094	0	37	-2.0	-122.50	318.09	2.71	-119.79
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008067095	0	43	-2.0	-122.48	366.53	6.88	-115.60
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)C=C2)CC1	REAL300008067096	0	41	-2.0	-123.03	343.68	7.36	-115.67
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(OC)=C1	REAL300008067097	0	42	-2.0	-125.40	352.51	3.84	-121.56
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCCC2)CC1	REAL300008067098	0	46	-2.0	-123.63	360.52	6.93	-116.70
CC1=CC=C(CCS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067099	0	43	-2.0	-124.64	361.15	7.43	-117.21
CC1=CC2=C(C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)OCO2	REAL300008067100	0	40	-2.0	-122.54	323.58	4.22	-118.32
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=C3OC=CC3=CC=C2)CC1	REAL300008067101	0	37	-2.0	-128.21	320.42	5.57	-122.64
COC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Cl	REAL300008067102	0	38	-2.0	-120.93	339.98	5.11	-115.82
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2CCCC2)CC1	REAL300008067103	0	43	-2.0	-123.46	344.57	6.39	-117.07
CN1C=NC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300008067104	0	40	-2.0	-130.95	341.79	6.58	-124.37
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300008067105	0	42	-2.0	-133.19	343.51	6.88	-126.31
CC1=NC2=CC=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2O1	REAL300008067106	0	39	-2.0	-124.29	337.17	2.89	-121.40
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1CC	REAL300008067107	0	46	-2.0	-123.69	371.57	7.82	-115.87
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067108	0	42	-2.0	-117.93	345.42	7.30	-110.63
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067109	0	44	-2.0	-127.05	350.14	6.72	-120.33
CC1=C(C)SC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067110	0	37	-2.0	-122.88	328.08	5.67	-117.21
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067111	0	35	-2.0	-118.35	311.21	3.06	-115.29
CC1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008067112	0	33	-2.0	-121.34	302.05	3.06	-118.28
CCC1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008067113	0	36	-2.0	-121.17	324.45	3.84	-117.33
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(N)=NO1	REAL300008067114	0	35	-2.0	-119.47	299.95	2.64	-116.83
CN(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008067115	0	41	-2.0	-125.48	343.77	4.97	-120.51
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008067116	0	37	-2.0	-124.78	323.12	5.70	-119.08
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2=CC=NO2)CC1	REAL300008067117	0	40	-2.0	-128.56	329.50	6.69	-121.87
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCO3)CC1	REAL300008067118	0	37	-2.0	-127.71	319.39	3.86	-123.85
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(C)=C1F	REAL300008067119	0	40	-2.0	-120.77	341.46	6.58	-114.19
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3OCCC(=O)C3=C2)CC1	REAL300008067120	0	41	-2.0	-128.24	350.45	5.01	-123.23
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCCOCC2=CC=CC=C2)CC1	REAL300008067121	0	47	-2.0	-125.03	394.31	6.77	-118.26
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=CC(F)=C23)CC1	REAL300008067122	0	38	-2.0	-134.30	324.42	5.06	-129.24
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=C3N=CSC3=CC=C2)CC1	REAL300008067123	0	36	-2.0	-130.04	321.89	4.96	-125.08
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008067124	0	36	-2.0	-123.14	311.05	4.09	-119.05
CC1=NC(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300008067125	0	36	-2.0	-126.32	323.85	3.62	-122.70
COC(CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CC1	REAL300008067126	0	41	-2.0	-124.00	335.64	4.94	-119.06
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=C(Cl)C=C2)CC1	REAL300008067127	0	37	-2.0	-123.62	334.98	6.52	-117.10
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Cl	REAL300008067128	0	37	-2.0	-120.56	329.92	6.35	-114.21
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCC(=O)C3=C2)CC1	REAL300008067129	0	40	-2.0	-130.02	342.55	6.25	-123.77
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCC3)CC1	REAL300008067130	0	42	-2.0	-127.38	337.69	6.40	-120.98
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=C2OCCCO3)CC1	REAL300008067131	0	43	-2.0	-124.56	342.92	5.20	-119.36
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC(F)=CC=C2Cl)CC1	REAL300008067132	0	37	-2.0	-124.39	338.21	6.51	-117.88
CCC1(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300008067133	0	37	-2.0	-123.30	286.93	5.24	-118.06
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067134	0	47	-2.0	-123.35	384.50	6.92	-116.43
COC(CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCC1	REAL300008067135	0	47	-2.0	-122.36	368.78	5.54	-116.82
COC(CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCCC1	REAL300008067136	0	50	-2.0	-122.53	385.38	6.09	-116.44
CC1(C)CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CO1	REAL300008067137	0	41	-2.0	-122.39	333.16	3.83	-118.56
CCOC(CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CC1	REAL300008067138	0	44	-2.0	-123.42	358.39	5.53	-117.89
CCC1=NC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CN1CC1CC1	REAL300008067139	0	47	-2.0	-128.91	388.55	7.04	-121.87
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3CC3)S2)CC1	REAL300008067140	0	37	-2.0	-121.56	333.27	4.73	-116.83
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1[N+](=O)[O-]	REAL300008067141	0	42	-2.0	-126.31	346.14	7.13	-119.18
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067142	0	41	-2.0	-121.27	339.99	5.20	-116.07
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067143	0	37	-2.0	-118.91	333.06	3.68	-115.23
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3CCC4=C3C2=CC=C4)CC1	REAL300008067144	0	44	-2.0	-129.71	352.51	8.31	-121.40
CCC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)C=C1OC	REAL300008067145	0	47	-2.0	-122.78	369.36	6.34	-116.44
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300008067146	0	36	-2.0	-129.91	318.22	4.08	-125.83
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2C=C1	REAL300008067147	0	43	-2.0	-127.46	342.22	8.21	-119.25
CC(C)OC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008067148	0	43	-2.0	-122.36	363.62	3.80	-118.56
COC1=C(F)C=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067149	0	38	-2.0	-127.05	324.31	5.39	-121.66
CCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C(C)C	REAL300008067150	0	50	-2.0	-123.44	404.41	7.50	-115.94
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300008067151	0	46	-2.0	-122.14	372.69	7.50	-114.64
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067152	0	44	-2.0	-122.28	349.94	5.20	-117.08
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(C)(C)C)=N1	REAL300008067153	0	46	-2.0	-120.79	365.78	5.57	-115.22
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCCC3)N=C2)CC1	REAL300008067154	0	44	-2.0	-123.87	361.91	5.61	-118.26
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067155	0	37	-2.0	-118.96	320.04	3.85	-115.11
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067156	0	41	-2.0	-127.41	352.83	5.42	-121.99
C=CCCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067157	0	44	-2.0	-122.77	371.66	8.03	-114.74
CCC1=NN(C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067158	0	40	-2.0	-124.92	333.46	3.98	-120.94
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC(Cl)=C2)CC1	REAL300008067159	0	38	-2.0	-122.25	343.08	6.96	-115.29
CCCOC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1CC	REAL300008067160	0	50	-2.0	-123.14	409.01	7.76	-115.38
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067161	0	40	-2.0	-119.53	333.92	7.13	-112.40
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCCC2CC2)CC1	REAL300008067162	0	40	-2.0	-123.44	332.94	6.09	-117.35
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=CC=C2Cl)CC1	REAL300008067163	0	38	-2.0	-123.67	340.60	6.87	-116.80
CCCC1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067164	0	43	-2.0	-124.39	347.75	7.80	-116.59
COC1=NC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067165	0	37	-2.0	-126.67	314.74	2.51	-124.16
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC3=CC=NC=C32)CC1	REAL300008067166	0	39	-2.0	-125.66	324.24	5.79	-119.87
CC1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N1C	REAL300008067167	0	37	-2.0	-123.53	311.13	4.15	-119.38
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=N2)CC1	REAL300008067168	0	33	-2.0	-126.13	290.27	3.37	-122.76
CC1=CSC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067169	0	37	-2.0	-120.80	311.97	5.78	-115.02
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCC3)N=C2)CC1	REAL300008067170	0	41	-2.0	-123.54	343.42	4.91	-118.63
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2CCC2)CC1	REAL300008067171	0	41	-2.0	-120.38	340.03	5.05	-115.33
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CC2CCC2)CC1	REAL300008067172	0	44	-2.0	-119.65	356.05	5.70	-113.95
CC1(C)COC2=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=NN2C1	REAL300008067173	0	45	-2.0	-125.90	368.54	3.24	-122.66
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C(C3=CC=CC=C3)S2)CC1	REAL300008067174	0	40	-2.0	-124.20	361.28	6.16	-118.04
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3CCCCN23)CC1	REAL300008067175	0	41	-2.0	-124.93	335.95	5.38	-119.55
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300008067176	0	50	-2.0	-126.81	391.82	7.25	-119.56
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067177	0	44	-2.0	-124.31	359.12	6.59	-117.72
CC1CC2=CC=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2O1	REAL300008067178	0	42	-2.0	-128.42	347.92	5.90	-122.52
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008067179	0	42	-2.0	-122.03	363.11	4.92	-117.11
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067180	0	39	-2.0	-134.45	333.21	4.75	-129.70
CCN1N=NC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067181	0	36	-2.0	-118.41	301.80	2.27	-116.14
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)CC1	REAL300008067182	0	43	-2.0	-122.40	339.86	5.25	-117.15
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=NON=C3C=C2)CC1	REAL300008067183	0	35	-2.0	-119.68	309.33	4.05	-115.63
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3S2)CC1	REAL300008067184	0	37	-2.0	-124.78	333.29	6.69	-118.09
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067185	0	41	-2.0	-120.47	343.43	4.90	-115.57
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1F	REAL300008067186	0	43	-2.0	-120.74	339.94	7.25	-113.49
COC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1OC	REAL300008067187	0	42	-2.0	-129.34	346.93	5.11	-124.23
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=COC3=CC=CC=C32)CC1	REAL300008067188	0	37	-2.0	-125.51	320.95	5.43	-120.08
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CCCC2)=N1	REAL300008067189	0	47	-2.0	-126.49	374.79	5.82	-120.67
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067190	0	46	-2.0	-125.58	370.58	5.77	-119.81
CCCCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=N1	REAL300008067191	0	46	-2.0	-126.50	374.61	5.79	-120.71
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300008067192	0	41	-2.0	-127.59	336.19	4.64	-122.95
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(OC(F)F)C=C2)CC1	REAL300008067193	0	38	-2.0	-124.36	332.76	4.81	-119.55
CN1N=NC2=C(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C21	REAL300008067194	0	39	-2.0	-139.13	336.36	3.75	-135.38
CC1(C)CCCN(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300008067195	0	45	-2.0	-122.02	349.11	5.70	-116.32
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CCC2)=N1	REAL300008067196	0	44	-2.0	-126.10	357.64	5.35	-120.75
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067197	0	52	-2.0	-128.76	402.95	9.16	-119.60
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CC3CCC3)N=C2)CC1	REAL300008067198	0	44	-2.0	-125.01	368.44	5.90	-119.11
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=C(C3CC3)C=CS2)CC1	REAL300008067199	0	38	-2.0	-125.78	330.29	6.23	-119.55
COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300008067200	0	43	-2.0	-137.87	359.88	6.45	-131.42
CCCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067201	0	43	-2.0	-122.94	358.85	7.46	-115.48
CN1N=C2CCCC2=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067202	0	41	-2.0	-123.26	337.15	4.69	-118.57
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CC[C@@H]3C2)CC1	REAL300008067203	0	40	-2.0	-122.15	322.66	4.75	-117.40
CC1=CC=CC(C)=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067204	0	40	-2.0	-123.12	317.19	6.63	-116.49
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067205	0	43	-2.0	-120.54	336.56	4.75	-115.79
CC(C)(C)N1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008067206	0	43	-2.0	-125.21	358.96	4.98	-120.23
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CNN=C2C2CCC2)CC1	REAL300008067207	0	41	-2.0	-124.36	334.77	4.04	-120.32
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CN=C1C(F)(F)F	REAL300008067208	0	39	-2.0	-120.48	345.15	5.03	-115.45
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300008067209	0	37	-2.0	-118.15	338.66	6.30	-111.85
CC1=NN(C)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067210	0	37	-2.0	-119.39	313.82	3.29	-116.10
CC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300008067211	0	40	-2.0	-123.16	315.12	6.13	-117.03
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067212	0	45	-2.0	-130.56	379.05	7.28	-123.28
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3CCC2)CC1	REAL300008067213	0	45	-2.0	-124.53	363.17	8.35	-116.18
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CC3=CC=CC=C3C2)CC1	REAL300008067214	0	40	-2.0	-122.79	336.85	5.69	-117.10
CN(C1CCC1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067215	0	39	-2.0	-121.11	314.15	4.33	-116.78
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=NOC3=C2COCC3)CC1	REAL300008067216	0	41	-2.0	-127.30	347.55	3.63	-123.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)N2CCC(F)(F)CC2)CC1	REAL300008067217	0	38	-2.0	-119.66	298.77	6.92	-112.74
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC=C2C(F)(F)F)CC1	REAL300008067218	0	34	-2.0	-120.41	316.15	5.47	-114.94
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(C3CC3)=C2)CC1	REAL300008067219	0	41	-2.0	-123.41	342.74	7.34	-116.07
COC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CS1	REAL300008067220	0	35	-2.0	-124.22	314.26	3.69	-120.53
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2CCCC2)CC1	REAL300008067221	0	44	-2.0	-120.51	357.89	5.82	-114.69
CCC(C)N1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067222	0	43	-2.0	-119.46	351.44	4.97	-114.49
CN(C(C)(C)C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067223	0	41	-2.0	-122.71	312.21	4.24	-118.47
CCC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300008067224	0	37	-2.0	-122.82	320.51	4.85	-117.97
CN(C1CCCCCC1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067225	0	48	-2.0	-122.90	360.48	6.06	-116.84
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067226	0	40	-2.0	-121.48	347.66	6.78	-114.70
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)CC1	REAL300008067227	0	38	-2.0	-124.53	333.72	4.83	-119.70
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C3=CC=CC=C3)CC2)CC1	REAL300008067228	0	49	-2.0	-131.51	385.65	7.73	-123.78
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300008067229	0	35	-2.0	-121.41	317.32	3.68	-117.73
CC1=CC(C)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300008067230	0	45	-2.0	-132.37	360.93	7.30	-125.07
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(C(F)(F)F)CC2)CC1	REAL300008067231	0	42	-2.0	-128.11	345.64	5.17	-122.94
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(CCF)N=C2)CC1	REAL300008067232	0	37	-2.0	-123.72	327.12	3.96	-119.76
CCOCC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067233	0	44	-2.0	-123.79	371.38	5.94	-117.85
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067234	0	44	-2.0	-122.88	369.89	6.33	-116.55
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN(C3CCCCC3)N=C2)CC1	REAL300008067235	0	47	-2.0	-124.67	380.85	6.21	-118.46
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2CF)CC1	REAL300008067236	0	37	-2.0	-125.56	309.64	6.14	-119.42
CC1=CN=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067237	0	36	-2.0	-122.34	309.97	4.08	-118.26
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300008067238	0	43	-2.0	-128.26	346.91	8.11	-120.15
CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300008067239	0	44	-2.0	-123.38	370.65	6.40	-116.98
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CC3CC2C3)CC1	REAL300008067240	0	37	-2.0	-124.04	306.15	4.14	-119.90
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C=CC2=CC=C(F)C=C2)CC1	REAL300008067241	0	38	-2.0	-123.08	332.76	6.51	-116.57
CCOCCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067242	0	40	-2.0	-123.96	335.36	3.78	-120.18
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCC2NC(=O)NC2=O)CC1	REAL300008067243	0	39	-2.0	-129.23	338.33	-0.84	-130.07
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=C3C=CC=CN23)CC1	REAL300008067244	0	37	-2.0	-126.99	319.02	5.62	-121.37
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2CCC(F)(F)CC2)CC1	REAL300008067245	0	40	-2.0	-124.25	329.06	5.77	-118.48
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C3SC=NC3=C2)CC1	REAL300008067246	0	36	-2.0	-125.78	325.40	4.65	-121.13
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCOC2CCOC2)CC1	REAL300008067247	0	42	-2.0	-126.38	349.31	2.46	-123.92
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2COCCO2)CC1	REAL300008067248	0	39	-2.0	-125.91	323.28	2.45	-123.46
CC1=NC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300008067249	0	43	-2.0	-126.05	368.53	4.43	-121.62
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC23CC4CC(CC(C4)C2)C3)CC1	REAL300008067250	0	51	-2.0	-124.45	371.47	8.14	-116.31
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CCN2C=NN=N2)CC1	REAL300008067251	0	35	-2.0	-132.26	309.26	3.15	-129.11
CC1(C)COC(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300008067252	0	44	-2.0	-125.48	353.95	4.48	-121.00
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2CS(=O)(=O)C2)CC1	REAL300008067253	0	37	-2.0	-129.85	325.48	0.95	-128.90
CC(C)(CS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)(F)F	REAL300008067254	0	42	-2.0	-125.67	333.48	5.73	-119.94
CS(=O)(=O)CCCCS(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067255	0	42	-2.0	-134.86	364.01	2.03	-132.83
CC1(C)CCC(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC1	REAL300008067256	0	47	-2.0	-124.82	368.23	5.36	-119.46
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC[C@@H]2C[C@H]2C2CC2)CC1	REAL300008067257	0	44	-2.0	-123.57	365.01	7.56	-116.01
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2=CC=CC3=NSN=C32)CC1	REAL300008067258	0	38	-2.0	-130.56	342.46	4.32	-126.24
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)CC2C[C@@H]3COC[C@@H]3O2)CC1	REAL300008067259	0	43	-2.0	-127.16	346.72	2.75	-124.41
COCCC1(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300008067260	0	41	-2.0	-121.81	333.61	4.60	-117.21
CCN1N=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300008067261	0	36	-2.0	-123.33	315.13	2.11	-121.22
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C[C@@H]2C[C@@H]3CCCC[C@H]23)CC1	REAL300008067262	0	47	-2.0	-123.85	361.62	7.27	-116.58
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C3CC3)S2)CC1	REAL300008067263	0	38	-2.0	-122.80	338.24	6.57	-116.23
COC1=CC=C(C=C(C)S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300008067264	0	45	-2.0	-123.94	371.74	6.30	-117.64
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067265	0	39	-2.0	-125.53	318.44	1.94	-123.59
CC1=COC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067266	0	34	-2.0	-122.70	299.02	3.92	-118.78
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300008067267	0	34	-2.0	-123.12	299.03	4.07	-119.05
CCC1=NNC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067268	0	37	-2.0	-124.43	308.02	2.64	-121.79
COC1=CSC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1OC	REAL300008067269	0	39	-2.0	-121.34	342.00	3.68	-117.66
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)CC1	REAL300008067270	0	46	-2.0	-124.26	350.79	5.94	-118.32
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067271	0	45	-2.0	-122.88	375.19	7.09	-115.79
COC1=CC(F)=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(F)=C1	REAL300008067272	0	38	-2.0	-123.63	332.42	4.83	-118.80
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(F)C(OC(F)F)=C2)CC1	REAL300008067273	0	38	-2.0	-124.39	339.92	4.89	-119.50
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067274	0	40	-2.0	-124.15	335.65	5.09	-119.06
CN1C=CC2=CC(S(=O)(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300008067275	0	41	-2.0	-127.96	347.23	7.00	-120.96
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067276	0	40	-2.0	-131.34	333.99	7.14	-124.20
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067277	0	45	-2.0	-125.59	378.10	6.88	-118.71
CCN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300008067278	0	44	-2.0	-125.47	366.08	5.85	-119.62
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NSN=C2C=C1	REAL300008067279	0	38	-2.0	-126.91	322.30	4.21	-122.70
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)CC1	REAL300008067280	0	40	-2.0	-122.64	357.09	8.04	-114.60
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CSC(C(F)(F)F)=N2)CC1	REAL300008067281	0	33	-2.0	-122.97	321.77	3.25	-119.72
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067282	0	47	-2.0	-120.86	379.69	6.39	-114.47
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=C(Cl)OC=C2)CC1	REAL300008067283	0	31	-2.0	-122.07	285.98	3.48	-118.59
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(Cl)=CS2)CC1	REAL300008067284	0	31	-2.0	-119.46	303.26	4.77	-114.69
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC3=CC=CC=C3C=C2Cl)CC1	REAL300008067285	0	40	-2.0	-126.88	344.72	7.67	-119.21
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067286	0	42	-2.0	-122.08	342.85	2.90	-119.18
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=CC=C2C2CC2)CC1	REAL300008067287	0	41	-2.0	-126.23	332.14	7.35	-118.88
CC1(C)CCN(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300008067288	0	45	-2.0	-122.62	346.40	5.28	-117.34
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067289	0	37	-2.0	-121.86	331.49	3.00	-118.86
COC1=NC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300008067290	0	40	-2.0	-122.29	341.77	2.67	-119.62
CC(C)CN1C=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300008067291	0	43	-2.0	-126.09	361.84	5.36	-120.73
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067292	0	43	-2.0	-124.25	352.84	4.80	-119.45
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CCN(CC(F)F)CC2)CC1	REAL300008067293	0	44	-2.0	-122.97	354.74	2.95	-120.02
COCC1=CC(CS(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300008067294	0	40	-2.0	-127.50	348.83	3.16	-124.34
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300008067295	0	45	-2.0	-125.29	366.84	5.64	-119.65
CC(C)N1N=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067296	0	40	-2.0	-119.60	333.24	4.33	-115.27
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2CC2CC2)CC1	REAL300008067297	0	41	-2.0	-120.00	338.47	5.40	-114.60
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NN2C2=CC=CC=C2)CC1	REAL300008067298	0	41	-2.0	-123.37	346.17	6.14	-117.23
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(C(F)F)C=N2)CC1	REAL300008067299	0	36	-2.0	-124.97	324.52	4.27	-120.70
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CCC3=CC=CN=C32)CC1	REAL300008067300	0	39	-2.0	-128.73	329.52	5.63	-123.10
CC1=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C(C)C	REAL300008067301	0	43	-2.0	-123.32	349.70	4.82	-118.50
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=NC=CC3=CC=CC=C32)CC1	REAL300008067302	0	39	-2.0	-128.87	327.32	5.59	-123.28
CC1=CN=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300008067303	0	39	-2.0	-125.36	321.02	4.59	-120.77
CC1=CN=CC=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067304	0	36	-2.0	-119.88	295.59	3.80	-116.08
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CC=C(Br)CC2)CC1	REAL300008067305	0	37	-2.0	-122.57	318.92	5.04	-117.53
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067306	0	42	-2.0	-127.49	352.12	1.10	-126.39
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CC3CCC(C2)O3)CC1	REAL300008067307	0	41	-2.0	-123.09	326.10	3.32	-119.77
N#CC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300008067308	0	40	-2.0	-123.28	332.72	4.72	-118.56
COC1=CC=NC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067309	0	37	-2.0	-124.89	319.52	2.63	-122.26
C=CCN(CC=C)S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067310	0	40	-2.0	-122.42	337.19	5.25	-117.17
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)F)=C1	REAL300008067311	0	41	-2.0	-120.44	347.28	5.80	-114.64
COC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300008067312	0	37	-2.0	-124.81	319.86	2.63	-122.18
CC1=CC=CN=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067313	0	36	-2.0	-126.04	301.20	3.98	-122.06
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=NC3=CC=CC=C32)CC1	REAL300008067314	0	39	-2.0	-123.24	324.95	5.68	-117.56
CCOC1=CC=CN=C1S(=O)(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300008067315	0	40	-2.0	-130.17	339.33	4.54	-125.63
CC1=CC=C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300008067316	0	42	-2.0	-134.47	347.63	6.65	-127.82
CC1=CC(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=N1	REAL300008067317	0	36	-2.0	-121.52	311.24	4.10	-117.42
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CNC3=CC=CC=C32)CC1	REAL300008067318	0	38	-2.0	-129.65	323.58	5.05	-124.60
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)N2CCC(F)(F)C2)CC1	REAL300008067319	0	36	-2.0	-124.74	311.38	3.74	-121.00
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CN=CS2)CC1	REAL300008067320	0	30	-2.0	-120.93	280.10	2.35	-118.58
O=C([O-])C1(C(=O)[O-])CCN(S(=O)(=O)C2=CC(C(F)F)=CC=N2)CC1	REAL300008067321	0	36	-2.0	-128.41	324.15	4.26	-124.15
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300008067322	0	47	-2.0	-127.50	374.17	7.19	-120.31
CC1=C(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(N)=NO1	REAL300008076117	1	38	-2.0	-110.30	356.67	4.14	-106.16
CCN1N=CC(S(=O)(=O)[N-]C(CC(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300008076138	1	39	-2.0	-120.31	371.05	3.61	-116.70
O=C([O-])CC([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300008076143	1	34	-2.0	-116.13	349.12	5.23	-110.90
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C2CCCCO2)C=C1C(=O)[O-]	REAL300008076233	0	45	-2.0	-136.48	374.37	7.09	-129.39
CC1=CC=CN=C1C([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C(C)(C)C	REAL300008076302	1	41	-2.0	-123.69	349.42	4.40	-119.29
C[C@@H]1CC=CC[C@H]1NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008084389	0	38	-2.0	-135.74	331.84	6.18	-129.56
C[C@@H]1CC=CC[C@H]1[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008084392	1	32	-2.0	-96.37	302.02	3.73	-92.64
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCCC23CC3)C=C1C(=O)[O-]	REAL300008091073	0	38	-2.0	-135.30	322.38	7.11	-128.19
CCC(C)(CC)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008091607	0	42	-2.0	-134.63	347.57	6.10	-128.53
CCC(C)(CC)C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008091611	1	36	-2.0	-95.09	320.74	3.47	-91.62
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2)C2CCC2)C=C1C(=O)[O-]	REAL300008091714	0	44	-2.0	-137.18	372.76	9.55	-127.63
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=NN(CC(F)(F)F)C=C2)=C1	REAL300008098016	1	31	-2.0	-104.41	334.36	2.40	-102.01
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300008098159	1	32	-2.0	-92.40	338.07	3.13	-89.27
C[C@H](COC(C)(C)C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008098262	0	43	-2.0	-133.97	366.95	4.92	-129.05
C[C@H](COC(C)(C)C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008098266	1	37	-2.0	-97.16	336.83	2.50	-94.66
C=CC(C)(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008098384	0	37	-2.0	-135.28	312.34	5.43	-129.85
C=CC(C)(CC)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008098386	1	31	-2.0	-95.58	291.36	3.09	-92.49
CCN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)C([N+](=O)[O-])=N1	REAL300008102122	1	39	-2.0	-129.94	331.73	5.93	-124.01
CN1C=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)C(C(F)(F)F)=N1	REAL300008102175	1	37	-2.0	-126.32	320.62	3.98	-122.34
CC1(C)CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)(C(=O)[O-])C1	REAL300008102178	1	37	-2.0	-134.33	317.02	5.71	-128.62
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)C(N)=NO1	REAL300008102227	1	35	-2.0	-119.38	294.79	2.66	-116.72
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300008102262	0	36	-2.0	-145.09	314.35	4.03	-141.06
CC1=NC(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)=C(C2=CC=CC=C2)O1	REAL300008102372	1	43	-2.0	-135.85	361.83	4.43	-131.42
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)=N1	REAL300008102385	1	36	-2.0	-128.25	307.95	2.18	-126.07
COC1=CC(F)=C(S(=O)(=O)[N-]C2(C(=O)[O-])CC(C)(C)C2)C(F)=C1	REAL300008102396	1	38	-2.0	-136.60	325.22	4.85	-131.75
CC1=C(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(C)C3=CC=CC=C32)C(N)=NO1	REAL300008102634	1	42	-2.0	-131.05	341.81	4.62	-126.43
CC1CCC([N-]S(=O)(=O)C2=NN(C)C=C2[N+](=O)[O-])(C(=O)[O-])C2=CC=CC=C21	REAL300008102651	1	43	-2.0	-156.18	360.14	6.23	-149.95
CCN1N=CC(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(C)C3=CC=CC=C32)=N1	REAL300008102701	1	43	-2.0	-139.07	352.70	4.38	-134.69
CC1=NC(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOC2)=C(C2=CC=CC=C2)O1	REAL300008114011	1	41	-2.0	-145.53	357.03	1.44	-144.09
CCN1N=CC(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOC2)=N1	REAL300008114024	1	34	-2.0	-124.82	306.22	-1.29	-126.11
COC1=CC(F)=C(S(=O)(=O)[N-]C(C(=O)[O-])C2CCOC2)C(F)=C1	REAL300008114035	1	36	-2.0	-135.29	312.45	2.06	-133.23
O=C([O-])C1=CC=C(S(=O)(=O)N(CC2CC2)C2CC2)C=C1C(=O)[O-]	REAL300008114608	0	38	-2.0	-135.59	340.20	7.83	-127.76
CC(C)C(CC(=O)[O-])[N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-]	REAL300008115021	0	35	-2.0	-140.49	305.96	3.22	-137.27
CC1=NC(S(=O)(=O)[N-]C(CC(=O)[O-])C(C)C)=C(C2=CC=CC=C2)O1	REAL300008115124	1	42	-2.0	-135.30	354.60	3.92	-131.38
COC1=CC(F)=C(S(=O)(=O)[N-]C(CC(=O)[O-])C(C)C)C(F)=C1	REAL300008115143	1	37	-2.0	-129.49	323.17	3.53	-125.96
CCC(C)(CC)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008115240	0	39	-2.0	-134.46	318.01	5.32	-129.14
CCC(C)(CC)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008115242	1	33	-2.0	-93.92	293.51	3.20	-90.72
CC1=NC=C2CN(S(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)CCN12	REAL300008115343	0	38	-2.0	-144.18	341.30	6.50	-137.68
CCN1N=CC=C1C(C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008120128	1	33	-2.0	-107.37	296.08	2.44	-104.93
CCN1N=CC=C1C(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008120174	0	40	-2.0	-135.41	358.43	4.98	-130.43
CC([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=NC2=C(CC(C)CC2)S1	REAL300008120241	1	39	-2.0	-126.80	356.23	4.11	-122.69
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300008132073	1	38	-2.0	-98.30	371.93	5.33	-92.97
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=CSC=C1C(F)(F)F	REAL300008132136	1	28	-2.0	-123.59	292.25	1.75	-121.84
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)O1	REAL300008132141	1	28	-2.0	-103.79	300.90	3.07	-100.72
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)O1	REAL300008132142	1	31	-2.0	-102.79	319.13	3.54	-99.25
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)O1	REAL300008132148	1	28	-2.0	-103.79	300.90	3.07	-100.72
O=C([O-])C1=COC(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)=C1	REAL300008132157	1	28	-2.0	-100.81	301.15	2.82	-97.99
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC1=CSC=C1C(F)(F)F	REAL300008132161	1	27	-2.0	-122.03	286.58	2.69	-119.34
O=C([O-])C1=C(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)SC=N1	REAL300008132162	1	27	-2.0	-126.49	296.62	2.43	-124.06
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)=C1	REAL300008132184	1	31	-2.0	-105.89	318.87	3.67	-102.22
O=C([O-])C1=C(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)OC=C1	REAL300008132186	1	28	-2.0	-122.72	293.36	3.56	-119.16
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=CSC=C1C(F)(F)F	REAL300008132189	1	28	-2.0	-123.59	292.25	1.75	-121.84
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CSC=C2C(F)(F)F)=C1	REAL300008132193	0	28	-2.0	-96.69	315.80	3.36	-93.33
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1=CSC=C1C(F)(F)F	REAL300008132206	1	28	-2.0	-123.59	292.25	1.75	-121.84
O=C([O-])C1=CC=C(S(=O)(=O)NCCCN2C=NN=N2)C=C1C(=O)[O-]	REAL300008132298	0	35	-2.0	-142.21	334.05	3.98	-138.23
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCCN2C=NN=N2)=C1	REAL300008132302	1	29	-2.0	-98.70	304.60	1.29	-97.41
CC1(C)[C@@H]2C[C@H]1C(CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)=CC2	REAL300008134160	0	48	-2.0	-138.26	399.24	8.36	-129.90
CC1(C)[C@@H]2C[C@H]1C(CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)=CC2	REAL300008134164	1	42	-2.0	-97.88	369.59	5.67	-92.21
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC=CCO2)C=C1C(=O)[O-]	REAL300008134260	0	36	-2.0	-133.98	328.51	4.00	-129.98
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC=CCO2)=C1	REAL300008134263	1	30	-2.0	-97.61	299.15	1.31	-96.30
CC1(C)[C@@H]2C[C@H](NS(=O)(=O)C3=CC=C(C(=O)[O-])C(C(=O)[O-])=C3)C[C@@H]21	REAL300008134363	0	41	-2.0	-138.30	351.33	6.73	-131.57
CC1(C)[C@@H]2C[C@H]([N-]S(=O)(=O)C3=CC(C(=O)[O-])=C(Cl)O3)C[C@@H]21	REAL300008134367	1	35	-2.0	-96.44	319.91	4.16	-92.28
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3=CC=CC=C3)CCCCO2)=C1	REAL300008138038	1	42	-2.0	-100.77	374.05	4.83	-95.94
CC1=CSC(CN(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300008138371	0	37	-2.0	-136.97	344.71	7.39	-129.58
COC1=C(F)C=CC=C1N(C)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008138484	0	38	-2.0	-135.16	355.86	6.93	-128.23
CC1=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC2CCCCC2)C(N)=NO1	REAL300008140013	1	44	-2.0	-113.19	350.02	4.28	-108.91
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC2CCCCC2)=N1	REAL300008140044	0	45	-2.0	-141.91	369.67	5.84	-136.07
CCN1N=CC(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC2CCCCC2)=N1	REAL300008140144	1	45	-2.0	-118.77	367.98	3.39	-115.38
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC2CCCCC2)C(F)=C1	REAL300008140155	1	47	-2.0	-133.89	381.02	6.49	-127.40
C=CCC(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300008143517	0	44	-2.0	-135.22	391.05	8.57	-126.65
C=CCC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)C1=CC=CC=C1	REAL300008143521	1	38	-2.0	-96.87	363.15	5.90	-90.97
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1	REAL300008144070	1	42	-2.0	-136.84	360.35	3.45	-133.39
CCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F	REAL300008144089	1	37	-2.0	-127.67	321.66	4.04	-123.63
CC(C)[C@@H]1COCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008156570	0	41	-2.0	-135.40	333.14	5.58	-129.82
CCC1=CC=C2C(=C1)CCCN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008156677	0	44	-2.0	-142.34	371.43	9.86	-132.48
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCC23CCC3)C=C1C(=O)[O-]	REAL300008156795	0	44	-2.0	-137.93	362.38	7.35	-130.58
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCCC23CCC3)=C1	REAL300008156799	1	38	-2.0	-96.91	331.55	4.88	-92.03
CN(CC1CC(F)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008164073	0	37	-2.0	-134.98	336.66	7.04	-127.94
CC1CCC2=C(C1)SC(C[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])=N2	REAL300008164135	1	36	-2.0	-129.59	340.08	3.30	-126.29
CC1CCC2=C(C1)SC(C[N-]S(=O)(=O)C1=C(C(=O)[O-])N=CS1)=N2	REAL300008164136	1	36	-2.0	-126.96	343.33	2.74	-124.22
CC1CCC2=C(C1)SC(C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)=N2	REAL300008164164	1	37	-2.0	-98.56	361.39	3.69	-94.87
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3CCC2C3)C=C1C(=O)[O-]	REAL300008164277	0	41	-2.0	-135.97	336.19	6.36	-129.61
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3CCC2C3)=C1	REAL300008164281	1	35	-2.0	-96.16	304.67	4.20	-91.96
CCN1C=C(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2=CC=CN=C2)C([N+](=O)[O-])=N1	REAL300008186301	1	41	-2.0	-120.90	359.35	5.45	-115.45
CN1C=C(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2=CC=CN=C2)C(C(F)(F)F)=N1	REAL300008186337	1	39	-2.0	-117.88	347.65	3.44	-114.44
CC1=C(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2=CC=CN=C2)C(N)=NO1	REAL300008186395	1	37	-2.0	-113.13	316.39	2.11	-111.02
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2=CC=CN=C2)=N1	REAL300008186427	0	38	-2.0	-138.27	336.13	3.55	-134.72
CCN1N=CC(S(=O)(=O)[N-]C(C)(CC(=O)[O-])C2=CC=CN=C2)=N1	REAL300008186519	1	38	-2.0	-120.36	329.77	1.47	-118.89
CC(CC(=O)[O-])([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=CN=C1	REAL300008186533	1	33	-2.0	-119.69	307.79	3.12	-116.57
CCN1C=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCCCC2)C([N+](=O)[O-])=N1	REAL300008189100	1	45	-2.0	-135.25	368.57	6.92	-128.33
CN1C=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCCCC2)C(C(F)(F)F)=N1	REAL300008189147	1	43	-2.0	-120.00	362.23	4.72	-115.28
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C1CCCCC1	REAL300008189150	1	43	-2.0	-135.23	350.53	7.17	-128.06
CC1=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCCCC2)C(N)=NO1	REAL300008189200	1	41	-2.0	-115.96	328.82	3.46	-112.50
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCCCC2)=N1	REAL300008189228	0	42	-2.0	-140.82	351.14	5.02	-135.80
CC1=NC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCCCC2)=C(C2=CC=CC=C2)O1	REAL300008189331	1	49	-2.0	-132.74	395.94	5.00	-127.74
CCN1N=CC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCCCC2)=N1	REAL300008189342	1	42	-2.0	-127.79	344.76	2.89	-124.90
COC1=CC(F)=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCCCC2)C(F)=C1	REAL300008189353	1	44	-2.0	-125.08	363.53	5.44	-119.64
CN(CCOC1CC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008208204	0	38	-2.0	-139.86	343.35	6.71	-133.15
C=CCSCC([N-]S(=O)(=O)C1=CN(CC)N=C1[N+](=O)[O-])C(=O)[O-]	REAL300008216081	1	37	-2.0	-136.35	361.16	5.53	-130.82
C=CCSCC([N-]S(=O)(=O)C1=CN(C)N=C1C(F)(F)F)C(=O)[O-]	REAL300008216134	1	35	-2.0	-129.89	351.42	3.53	-126.36
C=CCSCC([N-]S(=O)(=O)C1=CC2=CC=CC=C2O1)C(=O)[O-]	REAL300008216137	1	35	-2.0	-135.84	336.49	5.60	-130.24
C=CCSCC([N-]S(=O)(=O)C1=C(C)ON=C1N)C(=O)[O-]	REAL300008216187	1	33	-2.0	-119.00	312.95	2.60	-116.40
C=CCSCC([N-]S(=O)(=O)C1=NN(C)C=C1[N+](=O)[O-])C(=O)[O-]	REAL300008216221	0	34	-2.0	-150.13	334.84	4.15	-145.98
C=CCSCC([N-]S(=O)(=O)C1=C(C2=CC=CC=C2)OC(C)=N1)C(=O)[O-]	REAL300008216329	1	41	-2.0	-146.00	387.30	3.63	-142.37
C=CCSCC([N-]S(=O)(=O)C1=NN(CC)N=C1)C(=O)[O-]	REAL300008216342	1	34	-2.0	-131.16	327.34	2.10	-129.06
C=CCSCC([N-]S(=O)(=O)C1=C(F)C=C(OC)C=C1F)C(=O)[O-]	REAL300008216353	1	36	-2.0	-138.11	344.48	4.80	-133.31
CN(C1CCSCC1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008216500	0	38	-2.0	-133.68	340.71	7.01	-126.67
O=C([O-])C[C@H](COCC1=CC=CC=C1)[N-]S(=O)(=O)C1=CC2=CC=CC=C2O1	REAL300008216699	1	44	-2.0	-134.50	395.36	6.29	-128.21
CC1=C(S(=O)(=O)[N-][C@@H](COCC2=CC=CC=C2)CC(=O)[O-])C(N)=NO1	REAL300008216734	1	42	-2.0	-111.66	366.50	3.10	-108.56
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300008216750	0	43	-2.0	-142.04	393.96	4.80	-137.24
CCN1N=CC(S(=O)(=O)[N-][C@@H](COCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300008216808	1	43	-2.0	-127.12	385.34	2.98	-124.14
CC1=CC=CC(CNS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300008231054	0	40	-2.0	-134.62	356.34	7.25	-127.37
CCC=C1CCN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C1	REAL300008231243	0	38	-2.0	-135.64	338.94	7.13	-128.51
C[C@@H]([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=COC2=C(F)C=CC=C12	REAL300008231302	1	33	-2.0	-120.18	320.48	4.25	-115.93
C=CCC1(NS(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1	REAL300008231394	0	35	-2.0	-139.73	319.85	5.78	-133.95
C=CCC1([N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)CC1	REAL300008231396	1	29	-2.0	-93.96	294.77	3.22	-90.74
C=CCC(C)(C)CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008231498	0	43	-2.0	-134.31	367.50	6.59	-127.72
C=CCC(C)(C)CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008231502	1	37	-2.0	-94.75	338.04	3.89	-90.86
CC1=C(S(=O)(=O)[N-]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(N)=NO1	REAL300008231653	1	42	-2.0	-119.35	374.89	5.47	-113.88
CCN1N=CC(S(=O)(=O)[N-]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300008231680	1	43	-2.0	-112.86	387.95	4.95	-107.91
O=C([O-])C1=CC=C(S(=O)(=O)NC2C3C4CC2CC43)C=C1C(=O)[O-]	REAL300008231756	0	36	-2.0	-135.21	318.76	6.32	-128.89
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2C3C4CC2CC43)=C1	REAL300008231759	1	30	-2.0	-96.94	287.70	3.83	-93.11
CCN1C=C(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)C([N+](=O)[O-])=N1	REAL300008250032	1	39	-2.0	-117.45	344.76	5.18	-112.27
CN1C=C(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(C(F)(F)F)=N1	REAL300008250085	1	37	-2.0	-110.46	331.30	3.13	-107.33
CC1(C)[C@H]([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)C[C@@H]1C(=O)[O-]	REAL300008250088	1	37	-2.0	-113.31	324.23	4.70	-108.61
CC1=C(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(N)=NO1	REAL300008250137	1	35	-2.0	-98.66	300.90	1.69	-96.97
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300008250172	0	36	-2.0	-121.85	321.74	3.29	-118.56
CC1=NC(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)=C(C2=CC=CC=C2)O1	REAL300008250282	1	43	-2.0	-121.87	369.10	3.25	-118.62
CCN1N=CC(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)=N1	REAL300008250295	1	36	-2.0	-107.84	313.40	1.14	-106.70
COC1=CC(F)=C(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])C2(C)C)C(F)=C1	REAL300008250306	1	38	-2.0	-112.13	330.67	3.86	-108.27
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3COCCC3C2)C=C1C(=O)[O-]	REAL300008263090	0	45	-2.0	-135.86	368.42	5.66	-130.20
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3COCCC3C2)=C1	REAL300008263094	1	39	-2.0	-94.58	339.23	3.32	-91.26
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCC3(CCCC3)C2)C=C1C(=O)[O-]	REAL300008263208	0	44	-2.0	-135.56	366.61	7.19	-128.37
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCC3(CCCC3)C2)=C1	REAL300008263212	1	38	-2.0	-96.59	335.10	4.71	-91.88
O=C([O-])C1=COC(S(=O)(=O)[N-]C2CC3CC2CC3F)=C1	REAL300008263278	1	32	-2.0	-103.00	285.50	3.05	-99.95
O=C([O-])C1=CC=C(S(=O)(=O)NC2CC3CC2CC3F)C=C1C(=O)[O-]	REAL300008263329	0	38	-2.0	-139.30	333.39	6.09	-133.21
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CC3CC2CC3F)=C1	REAL300008263333	0	32	-2.0	-98.37	299.70	3.59	-94.78
COC[C@@H](CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)OC	REAL300008263438	0	38	-2.0	-132.92	346.11	2.20	-130.72
COC[C@@H](C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1)OC	REAL300008263442	1	32	-2.0	-93.96	316.41	-0.28	-94.24
CC1(C)CCCCC1CNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008266111	0	46	-2.0	-135.17	369.80	6.97	-128.20
CC1(C)CCCCC1C[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008266115	1	40	-2.0	-97.05	341.97	4.31	-92.74
O=C([O-])C1=CC=C(S(=O)(=O)NCC2(C3CC3)CCCO2)C=C1C(=O)[O-]	REAL300008266382	0	42	-2.0	-134.68	362.40	5.74	-128.94
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2(C3CC3)CCCO2)=C1	REAL300008266386	1	36	-2.0	-98.85	335.29	3.07	-95.78
O=C([O-])C1=CC=C(S(=O)(=O)NC2CCCCCCCCC2)C=C1C(=O)[O-]	REAL300008266500	0	49	-2.0	-136.62	383.04	7.92	-128.70
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCCCCCCC2)=C1	REAL300008266504	1	43	-2.0	-94.64	347.73	6.19	-88.45
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CCC2C3CC4CC(C3)CC2C4)=C1	REAL300008266602	1	45	-2.0	-97.44	368.30	5.78	-91.66
CCC1=CC=C(N(C)S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300008278504	0	40	-2.0	-134.75	359.18	8.75	-126.00
CC1(C)CCCOC1CCNS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008278611	0	47	-2.0	-138.10	387.23	5.77	-132.33
CC1(C)CCCOC1CC[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008278615	1	41	-2.0	-97.89	357.77	3.08	-94.81
CN(C[C@H]1C[C@@H](OC(C)(C)C)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008281035	0	50	-2.0	-139.57	416.41	8.16	-131.41
O=C([O-])C1=CC=C(S(=O)(=O)NCC2CC(C(F)(F)F)C2)C=C1C(=O)[O-]	REAL300008281147	0	37	-2.0	-136.77	348.23	6.07	-130.70
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2CC(C(F)(F)F)C2)=C1	REAL300008281151	1	31	-2.0	-92.84	318.80	3.40	-89.44
CC1=C(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(N)=NO1	REAL300008281305	1	38	-2.0	-107.99	345.80	3.98	-104.01
CCN1N=CC(S(=O)(=O)[N-]C(C)(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300008281318	1	39	-2.0	-115.81	360.46	3.41	-112.40
CC(C)(C)C(C)(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008281413	0	42	-2.0	-135.67	330.42	5.58	-130.09
CC(C)(C)C(C)(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008281417	1	36	-2.0	-94.06	309.54	3.57	-90.49
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281450	1	38	-2.0	-124.00	336.72	3.66	-120.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)O1	REAL300008281454	1	38	-2.0	-102.04	344.11	5.06	-96.98
CC1=C(C(=O)[O-])C=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)O1	REAL300008281455	1	41	-2.0	-102.17	362.35	5.54	-96.63
O=C([O-])C1=CC=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)O1	REAL300008281461	1	38	-2.0	-102.04	344.11	5.06	-96.98
O=C([O-])C1=COC(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281468	1	38	-2.0	-100.02	344.36	4.80	-95.22
O=C([O-])C1=NSC=C1S(=O)(=O)[N-]CC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281472	1	37	-2.0	-122.79	338.07	4.98	-117.81
O=C([O-])C1=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)SC=N1	REAL300008281473	1	37	-2.0	-124.46	340.93	4.41	-120.05
CC1=C(C(=O)[O-])OC(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)=C1	REAL300008281488	1	41	-2.0	-104.38	362.08	5.66	-98.72
O=C([O-])C1=C(S(=O)(=O)[N-]CC2(C(F)(F)F)CC3(CCC3)C2)OC=C1	REAL300008281489	1	38	-2.0	-122.85	337.81	5.47	-117.38
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281491	1	38	-2.0	-124.00	336.72	3.66	-120.34
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]CC1(C(F)(F)F)CC2(CCC2)C1	REAL300008281506	1	38	-2.0	-124.00	336.72	3.66	-120.34
CN(C1CC2(CC2)C1)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008281574	0	38	-2.0	-134.35	335.57	7.32	-127.03
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300008281597	0	33	-2.0	-117.88	326.76	3.65	-114.23
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)O1	REAL300008281598	0	33	-2.0	-93.73	334.19	5.07	-88.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)O1	REAL300008281599	0	33	-2.0	-93.73	334.19	5.07	-88.66
O=C([O-])C1=COC(S(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)=C1	REAL300008281600	0	33	-2.0	-93.65	334.43	4.80	-88.85
O=C([O-])CCCCCS(=O)(=O)[N-]C(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300008281601	0	41	-2.0	-91.90	387.10	6.72	-85.18
O=C([O-])CC1(CS(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)CC1	REAL300008281602	0	39	-2.0	-99.31	368.01	6.40	-92.91
O=C([O-])C1=C(S(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)OC=C1	REAL300008281603	0	33	-2.0	-117.64	327.86	5.46	-112.18
O=C([O-])C1=CNN=C1S(=O)(=O)[N-]C(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300008281604	0	33	-2.0	-117.88	326.76	3.65	-114.23
O=C([O-])C1=CC(S(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)=NN1	REAL300008281605	0	33	-2.0	-90.38	333.02	2.92	-87.46
O=C([O-])[C@@H]1C[C@H]1CS(=O)(=O)[N-]C(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300008281606	0	36	-2.0	-97.63	354.74	5.86	-91.77
O=C([O-])C1=CC(S(=O)(=O)[N-]C(C2=CC=CC([N+](=O)[O-])=C2)C(F)(F)F)=NN1	REAL300008281607	0	33	-2.0	-90.38	333.02	2.92	-87.46
O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)[N-]C(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300008281608	0	36	-2.0	-116.33	338.45	6.26	-110.07
CN1N=CC=C1C12CC(C1)CN2S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008285061	0	42	-2.0	-145.33	365.61	6.66	-138.67
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]C2CCCCC2C2=CC=CC=C2)=C1	REAL300008285750	1	41	-2.0	-97.49	366.73	6.54	-90.95
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C3=CC=NO3)CC2)C=C1C(=O)[O-]	REAL300008287621	0	40	-2.0	-148.55	356.78	7.16	-141.39
CC1CN(S(=O)(=O)C2=CC=C(C(=O)[O-])C(C(=O)[O-])=C2)CC1(F)F	REAL300008294003	0	34	-2.0	-138.77	318.35	5.83	-132.94
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])SC=C2)SC=C1	REAL300008294067	1	31	-2.0	-115.47	318.81	1.31	-114.16
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])SC=C1	REAL300008294074	1	31	-2.0	-118.30	310.51	-1.33	-119.63
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)SC=C1	REAL300008294078	1	31	-2.0	-96.84	319.16	0.02	-96.82
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CC=C(C(=O)[O-])O2)SC=C1	REAL300008294085	1	31	-2.0	-96.84	319.16	0.02	-96.82
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=CO2)SC=C1	REAL300008294092	1	31	-2.0	-96.64	319.41	-0.25	-96.89
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CSN=C2C(=O)[O-])SC=C1	REAL300008294096	0	30	-2.0	-114.47	313.60	-0.22	-114.69
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])N=CS2)SC=C1	REAL300008294097	1	30	-2.0	-120.29	315.97	-0.65	-120.94
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CC=CN=C2C(=O)[O-])SC=C1	REAL300008294098	1	33	-2.0	-120.65	323.56	0.64	-120.01
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=C(C(=O)[O-])C=CO2)SC=C1	REAL300008294113	1	31	-2.0	-118.13	311.62	0.51	-117.62
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])SC=C1	REAL300008294115	1	31	-2.0	-118.30	310.51	-1.33	-119.63
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CC(C(=O)[O-])=C(Cl)O2)SC=C1	REAL300008294119	0	31	-2.0	-92.38	334.06	0.30	-92.08
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=NNC=C2C(=O)[O-])SC=C1	REAL300008294131	1	31	-2.0	-118.30	310.51	-1.33	-119.63
CS(=O)(=O)C1=C(C[N-]S(=O)(=O)C2=CN=CC=C2C(=O)[O-])SC=C1	REAL300008294135	1	33	-2.0	-110.50	319.28	0.81	-109.69
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC3(CCCO3)CC2)C=C1C(=O)[O-]	REAL300008297089	0	45	-2.0	-137.25	365.35	7.27	-129.98
CN(CC1CCCCC12CCC2)S(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008297199	0	50	-2.0	-136.92	393.33	9.20	-127.72
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)CCO1	REAL300008297448	1	38	-2.0	-100.34	338.43	3.93	-96.41
CCN1C=C(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300008297590	1	40	-2.0	-114.48	343.22	4.29	-110.19
CN1C=C(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300008297644	1	38	-2.0	-108.47	334.09	2.43	-106.04
O=C([O-])CC1CC([N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)CCO1	REAL300008297647	1	38	-2.0	-105.99	332.01	3.86	-102.13
CC1=C(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)C(N)=NO1	REAL300008297697	1	36	-2.0	-94.47	308.69	0.87	-93.60
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)=N1	REAL300008297732	0	37	-2.0	-114.21	329.35	2.47	-111.74
CC1=NC(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)=C(C2=CC=CC=C2)O1	REAL300008297840	1	44	-2.0	-110.40	376.61	2.64	-107.76
CCN1N=CC(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)=N1	REAL300008297853	1	37	-2.0	-101.28	322.97	0.34	-100.94
COC1=CC(F)=C(S(=O)(=O)[N-]C2CCOC(CC(=O)[O-])C2)C(F)=C1	REAL300008297865	1	39	-2.0	-109.55	337.55	3.29	-106.26
CCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008312310	0	39	-2.0	-137.29	344.45	6.07	-131.22
CCCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008312312	1	33	-2.0	-94.01	312.01	3.61	-90.40
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=CN=CN=C2)C=C1C(=O)[O-]	REAL300008312438	0	32	-2.0	-133.87	311.15	4.05	-129.82
O=C([O-])C1=C(Cl)OC(S(=O)(=O)[N-]CC2=CN=CN=C2)=C1	REAL300008312441	1	26	-2.0	-90.80	281.70	1.35	-89.45
CC(C)OC1=CC=CC=C1[C@H](C)[N-]S(=O)(=O)C1=CSN=C1C(=O)[O-]	REAL300008312684	1	40	-2.0	-130.41	353.05	4.87	-125.54
CC1=C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(N)=NO1	REAL300008322143	1	35	-2.0	-108.87	325.66	3.36	-105.51
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300008322160	0	36	-2.0	-138.70	356.57	5.21	-133.49
CCN1N=CC(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300008322228	1	36	-2.0	-123.94	348.00	3.31	-120.63
O=C([O-])C[C@@H]([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=CC(Cl)=C1	REAL300008322235	1	31	-2.0	-120.64	326.99	4.75	-115.89
CC1=C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)C(N)=NO1	REAL300008322453	1	35	-2.0	-112.14	336.00	3.61	-108.53
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300008322470	0	36	-2.0	-140.41	356.57	5.16	-135.25
CCN1N=CC(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2=CC=CC(Cl)=C2)=N1	REAL300008322538	1	36	-2.0	-121.61	348.74	3.11	-118.50
O=C([O-])C[C@H]([N-]S(=O)(=O)C1=C(Cl)OC=C1)C1=CC=CC(Cl)=C1	REAL300008322545	1	31	-2.0	-121.33	327.24	4.73	-116.60
CCCCC(C)NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300008322598	0	39	-2.0	-137.29	344.45	6.07	-131.22
CCCCC(C)[N-]S(=O)(=O)C1=CC(C(=O)[O-])=C(Cl)O1	REAL300008322600	1	33	-2.0	-94.01	312.01	3.61	-90.40
C[C@@H]([N-]S(=O)(=O)C1=CSN=C1C(=O)[O-])C1=CC=CC=C1F	REAL300008363217	1	30	-2.0	-121.52	290.59	3.95	-117.57
C[C@@H](NS(=O)(=O)C1=CC=C(C(=O)[O-])C(C(=O)[O-])=C1)C1=CC=CC=C1F	REAL300008363263	0	37	-2.0	-136.08	340.13	6.73	-129.35
O=C([O-])C1=CC=C(S(=O)(=O)N2C[C@H]3C[C@@H]2CO3)C=C1C(=O)[O-]	REAL300008367056	0	33	-2.0	-135.30	301.57	3.91	-131.39
CCCOC1=C2N=C([N-]C(=O)C3CCC4(CC4C(=O)[O-])C3)SC2=CC=C1	REAL300008419170	1	46	-2.0	-102.28	386.82	8.37	-93.91
O=C([O-])C1=CC(Br)=CC(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)=C1	REAL300009700181	0	36	-2.0	-121.05	324.58	8.48	-112.57
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC=CC(O)=C2F)=C1	REAL300009700243	0	28	-2.0	-118.27	282.03	5.68	-112.59
O=C([O-])C1=CC(Br)=CC(NC(=O)C2=CC=CC([O-])=C2F)=C1	REAL300009700243	1	28	-2.0	-118.27	282.03	5.68	-112.59
CC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300009871009	0	38	-2.0	-89.16	366.62	4.19	-84.97
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC(CCC#N)C(=O)[O-])=C1	REAL300009871028	1	40	-2.0	-107.92	367.92	8.89	-99.03
N#CCCC(NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300009871088	0	35	-2.0	-129.34	329.54	5.42	-123.92
COC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC([N-]S(C)(=O)=O)=C1OC	REAL300009871116	0	43	-2.0	-114.98	389.67	2.14	-112.84
N#CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)[O-])C1)C(=O)[O-]	REAL300009871125	0	39	-2.0	-107.90	353.02	7.14	-100.76
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CCC#N)C(=O)[O-])O1	REAL300009871230	1	41	-2.0	-95.59	372.10	2.18	-93.41
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871232	0	35	-2.0	-103.70	331.31	3.10	-100.60
N#CCCC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C(=O)[O-]	REAL300009871233	0	35	-2.0	-125.45	324.44	5.24	-120.21
N#CCCC(NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C(=O)[O-]	REAL300009871257	0	28	-2.0	-102.24	280.52	4.14	-98.10
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CO1	REAL300009871314	1	32	-2.0	-101.48	315.63	-0.24	-101.72
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC(CCC#N)C(=O)[O-]	REAL300009871496	0	36	-2.0	-101.51	323.24	2.94	-98.57
CCOC1=CC(C(=O)NC(CCC#N)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300009871583	1	35	-2.0	-99.67	331.53	5.53	-94.14
N#CCCC(NC(=O)C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl)C(=O)[O-]	REAL300009871664	1	35	-2.0	-112.92	357.38	3.32	-109.60
N#CCCC(NC(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C(=O)[O-]	REAL300009871668	0	35	-2.0	-119.48	342.28	2.29	-117.19
N#CCCC(NC(=O)C1=C(COCC(=O)[O-])OC=N1)C(=O)[O-]	REAL300009871779	0	33	-2.0	-121.39	317.79	2.05	-119.34
N#CCCC(NC(=O)C1=CC(Br)=CC=C1[O-])C(=O)[O-]	REAL300009871789	1	28	-2.0	-112.76	282.81	6.18	-106.58
N#CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C(=O)[O-]	REAL300009871813	0	35	-2.0	-120.03	330.85	5.31	-114.72
N#CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C(=O)[O-]	REAL300009871867	0	34	-2.0	-100.11	316.53	6.84	-93.27
N#CCCC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C(=O)[O-]	REAL300009871884	0	34	-2.0	-109.21	316.61	6.82	-102.39