CC1=C(C)SC([N-]C(=O)C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=N1	REAL300004000184	1	41	-2.0	-102.60	378.82	4.49	-98.11
CC1=C(C)SC([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300004000190	1	37	-2.0	-92.45	349.44	1.80	-90.65
CC1=C(C)SC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300004000200	1	39	-2.0	-96.69	319.76	6.77	-89.92
CC1=C(C)SC([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)=N1	REAL300004000205	1	38	-2.0	-113.01	342.51	6.47	-106.54
CC1=C(C)SC([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)=N1	REAL300004000208	1	32	-2.0	-112.61	303.49	1.04	-111.57
CC1=C(C)SC([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300004000213	1	36	-2.0	-107.87	328.73	7.54	-100.33
CC1=C(C)SC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300004000232	1	39	-2.0	-96.69	319.76	6.77	-89.92
O=C(CCC1=CC=C(C(=O)[O-])C=C1)[N-]C1=NC2=C(COCC2)S1	REAL300004000608	1	37	-2.0	-93.25	330.77	5.79	-87.46
O=C(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[N-]C1=NC2=C(COCC2)S1	REAL300004000611	1	39	-2.0	-92.19	363.43	0.70	-91.49
O=C(CCC1=CC=CC=C1C(=O)[O-])[N-]C1=NC2=C(COCC2)S1	REAL300004000616	1	37	-2.0	-115.74	322.12	5.52	-110.22
O=C(CC1=CC=CC(C(=O)[O-])=C1)[N-]C1=NC2=C(COCC2)S1	REAL300004000618	1	34	-2.0	-104.20	309.37	4.97	-99.23
O=C([O-])C1CCCC(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300004000619	1	37	-2.0	-105.20	304.78	4.36	-100.84
O=C([O-])[C@H]1CC[C@H](C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300004000624	1	37	-2.0	-93.76	311.82	4.54	-89.22
O=C([O-])C1CCC(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1	REAL300004000625	1	37	-2.0	-93.65	311.82	4.54	-89.11
O=C(CC1=CC=C(C(=O)[O-])C=C1)[N-]C1=NC2=C(COCC2)S1	REAL300004000626	1	34	-2.0	-97.26	309.37	4.98	-92.28
O=C(CN1C=C(C(=O)[O-])N=N1)[N-]C1=NC2=C(COCC2)S1	REAL300004000627	1	30	-2.0	-100.33	286.52	0.97	-99.36
O=C(CC1CCC(C(=O)[O-])CC1)[N-]C1=NC2=C(COCC2)S1	REAL300004000636	1	40	-2.0	-99.65	322.34	5.06	-94.59
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(COCC4)S3)(CC1)C2	REAL300004000637	1	38	-2.0	-98.08	318.77	4.69	-93.39
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(COCC4)S3)(CC1)CC2	REAL300004000638	1	41	-2.0	-92.69	330.26	5.19	-87.50
O=C(CC1CCCC2=CC=C(C(=O)[O-])C=C21)[N-]C1=NC2=C(COCC2)S1	REAL300004000641	1	44	-2.0	-105.97	363.61	7.20	-98.77
O=C(CN1C=C(C(=O)[O-])C=N1)[N-]C1=NC2=C(COCC2)S1	REAL300004000644	1	31	-2.0	-99.00	291.44	2.45	-96.55
O=C([O-])C1(C(=O)[N-]C2=NC3=C(COCC3)S2)CC2(CCC2)C1	REAL300004000646	1	38	-2.0	-118.33	316.52	5.01	-113.32
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]C2=NC3=C(COCC3)S2)C1	REAL300004000648	1	40	-2.0	-107.08	353.00	4.89	-102.19
O=C([O-])CSCCC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300004000649	1	31	-2.0	-91.28	294.54	3.49	-87.79
C[C@@H]1C[C@H](C(=O)[N-]C2=NC3=C(COCC3)S2)O[C@H]1C(=O)[O-]	REAL300004000652	1	35	-2.0	-104.33	307.08	3.72	-100.61
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC2=C(COCC2)S1	REAL300004000657	1	34	-2.0	-111.57	317.47	-0.06	-111.63
O=C(CN1C=CC(C(=O)[O-])=N1)[N-]C1=NC2=C(COCC2)S1	REAL300004000662	1	31	-2.0	-112.93	290.78	2.48	-110.45
O=C(CCCN1C=CC(C(=O)[O-])=N1)[N-]C1=NC2=C(COCC2)S1	REAL300004000663	1	37	-2.0	-111.07	334.38	3.84	-107.23
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC3=C(COCC3)S2)O1	REAL300004000664	1	38	-2.0	-102.38	328.54	4.17	-98.21
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N-]C1=NC2=C(COCC2)S1	REAL300004000665	1	38	-2.0	-94.94	326.87	3.12	-91.82
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300004000667	1	39	-2.0	-127.23	309.10	5.58	-121.65
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300004000668	1	37	-2.0	-116.06	299.08	4.94	-111.12
O=C(CN1CCCC(C(=O)[O-])C1)[N-]C1=NC2=C(COCC2)S1	REAL300004000669	1	39	-2.0	-93.53	324.59	2.36	-91.17
O=C([O-])C1(C(=O)[N-]C2=NC3=C(COCC3)S2)CC1C1=CC=CC=C1	REAL300004000670	1	38	-2.0	-117.30	328.12	6.36	-110.94
O=C([O-])C1=CN(CC(=O)[N-]C2=NC3=C(COCC3)S2)C2=CC=CC=C12	REAL300004000672	1	38	-2.0	-107.34	342.72	6.44	-100.90
O=C([O-])C1CC12CC(C(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300004000673	1	35	-2.0	-100.85	307.08	4.66	-96.19
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300004000674	1	37	-2.0	-123.78	316.45	5.02	-118.76
O=C([O-])C1CC2(C1)CC(C(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300004000680	1	38	-2.0	-93.35	325.66	5.16	-88.19
O=C([O-])C1C(F)(F)C12CC(C(=O)[N-]C1=NC3=C(COCC3)S1)C2	REAL300004000685	1	35	-2.0	-109.06	314.29	5.40	-103.66
O=C(CCC1=CC=CN=C1C(=O)[O-])[N-]C1=NC2=C(COCC2)S1	REAL300004000692	1	36	-2.0	-117.85	318.30	3.76	-114.09
O=C([O-])C12CC(C(=O)[N-]C3=NC4=C(COCC4)S3)(C1)OC2	REAL300004000693	1	33	-2.0	-95.97	295.11	1.84	-94.13
O=C([O-])C1(C(=O)[N-]C2=NC3=C(COCC3)S2)CC2(CCC2)C1	REAL300004000695	1	38	-2.0	-118.33	316.52	5.01	-113.32
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC2=C(COCC2)S1	REAL300004000703	1	36	-2.0	-130.67	304.76	2.64	-128.03
CC(C)[C@]1(C(=O)[N-]C2=NC3=C(COCC3)S2)C[C@H]1C(=O)[O-]	REAL300004000705	1	37	-2.0	-123.86	314.12	4.58	-119.28
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC2=C(COCC2)S1	REAL300004000706	1	37	-2.0	-97.99	326.08	5.45	-92.54
O=C(CC1=CC(C(=O)[O-])=CS1)[N-]C1=NC2=C(COCC2)S1	REAL300004000707	1	31	-2.0	-100.51	300.92	4.12	-96.39
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC3=C(COCC3)S2)C=C1F	REAL300004000708	1	34	-2.0	-98.09	313.92	5.00	-93.09
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(COCC4)S3)(CC1)CC2	REAL300004000710	1	41	-2.0	-92.69	330.26	5.19	-87.50
O=C([O-])C1=CC=C(CCC(=O)[N-]C2=NC3=C(SC=C3)S2)C=C1	REAL300004000718	1	32	-2.0	-94.21	313.94	7.08	-87.13
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)[N-]C1=NC2=C(SC=C2)S1	REAL300004000720	1	30	-2.0	-94.09	302.37	6.79	-87.30
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)[N-]C2=NC3=C(SC=C3)S2)C=C1	REAL300004000721	1	34	-2.0	-93.16	346.59	1.99	-91.17
O=C([O-])C1=CC=CC=C1CCC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300004000726	1	32	-2.0	-117.21	304.99	6.81	-110.40
O=C([O-])C1=CC(CC(=O)[N-]C2=NC3=C(SC=C3)S2)=CC=C1	REAL300004000728	1	29	-2.0	-105.94	292.55	6.26	-99.68
O=C([O-])C1CCCC(C(=O)[N-]C2=NC3=C(SC=C3)S2)C1	REAL300004000729	1	32	-2.0	-106.92	287.95	5.65	-101.27
O=C([O-])[C@H]1CC[C@H](C(=O)[N-]C2=NC3=C(SC=C3)S2)CC1	REAL300004000734	1	32	-2.0	-94.16	293.67	5.81	-88.35
O=C([O-])C1CCC(C(=O)[N-]C2=NC3=C(SC=C3)S2)CC1	REAL300004000735	1	32	-2.0	-94.70	295.00	5.83	-88.87
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC3=C(SC=C3)S2)C=C1	REAL300004000736	1	29	-2.0	-98.74	292.54	6.27	-92.47
O=C([O-])C1=CN(CC(=O)[N-]C2=NC3=C(SC=C3)S2)N=N1	REAL300004000737	1	25	-2.0	-102.01	269.69	2.27	-99.74
O=C(CC1CCC(C(=O)[O-])CC1)[N-]C1=NC2=C(SC=C2)S1	REAL300004000745	1	35	-2.0	-100.74	305.52	6.35	-94.39
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(SC=C4)S3)(CC1)C2	REAL300004000746	1	33	-2.0	-99.40	301.94	5.98	-93.42
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(SC=C4)S3)(CC1)CC2	REAL300004000747	1	36	-2.0	-93.71	313.43	6.49	-87.22
O=C([O-])C1=CC=C2CCCC(CC(=O)[N-]C3=NC4=C(SC=C4)S3)C2=C1	REAL300004000750	1	39	-2.0	-106.67	346.78	8.49	-98.18
O=C([O-])C1=CN(CC(=O)[N-]C2=NC3=C(SC=C3)S2)N=C1	REAL300004000753	1	26	-2.0	-100.56	274.62	3.75	-96.81
O=C([O-])C1(C(=O)[N-]C2=NC3=C(SC=C3)S2)CC2(CCC2)C1	REAL300004000755	1	33	-2.0	-118.83	299.69	6.31	-112.52
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]C2=NC3=C(SC=C3)S2)C1	REAL300004000757	1	35	-2.0	-108.24	335.99	6.17	-102.07
O=C([O-])CSCCC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300004000758	1	26	-2.0	-92.28	277.71	4.79	-87.49
C[C@@H]1C[C@H](C(=O)[N-]C2=NC3=C(SC=C3)S2)O[C@H]1C(=O)[O-]	REAL300004000761	1	30	-2.0	-105.42	290.24	5.02	-100.40
O=C(C=CC1=CC(C(=O)[O-])=CO1)[N-]C1=NC2=C(SC=C2)S1	REAL300004000764	1	27	-2.0	-94.21	286.93	5.03	-89.18
O=C(C=CC1=CC=C(C(=O)[O-])O1)[N-]C1=NC2=C(SC=C2)S1	REAL300004000766	1	27	-2.0	-98.98	288.45	5.40	-93.58
O=C([O-])C1=NN(CC(=O)[N-]C2=NC3=C(SC=C3)S2)C=C1	REAL300004000770	1	26	-2.0	-114.77	273.95	3.77	-111.00
O=C([O-])C1=NN(CCCC(=O)[N-]C2=NC3=C(SC=C3)S2)C=C1	REAL300004000771	1	32	-2.0	-112.62	317.56	5.13	-107.49
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC3=C(SC=C3)S2)O1	REAL300004000772	1	33	-2.0	-103.82	311.71	5.46	-98.36
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N-]C1=NC2=C(SC=C2)S1	REAL300004000773	1	33	-2.0	-96.10	310.04	4.41	-91.69
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300004000775	1	34	-2.0	-126.59	299.22	6.62	-119.97
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300004000776	1	32	-2.0	-117.94	282.23	6.23	-111.71
O=C(CN1CCCC(C(=O)[O-])C1)[N-]C1=NC2=C(SC=C2)S1	REAL300004000777	1	34	-2.0	-94.29	307.06	3.63	-90.66
O=C([O-])C1(C(=O)[N-]C2=NC3=C(SC=C3)S2)CC1C1=CC=CC=C1	REAL300004000778	1	33	-2.0	-117.57	311.29	7.66	-109.91
O=C([O-])C1=CN(CC(=O)[N-]C2=NC3=C(SC=C3)S2)C2=CC=CC=C12	REAL300004000780	1	33	-2.0	-108.76	325.89	7.74	-101.02
O=C([O-])C1CC12CC(C(=O)[N-]C1=NC3=C(SC=C3)S1)C2	REAL300004000781	1	30	-2.0	-101.61	290.26	5.95	-95.66
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300004000782	1	32	-2.0	-124.61	298.25	6.70	-117.91
O=C([O-])C1CC2(C1)CC(C(=O)[N-]C1=NC3=C(SC=C3)S1)C2	REAL300004000788	1	33	-2.0	-94.49	308.84	6.46	-88.03
O=C([O-])C1=NC=CC=C1CCC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300004000799	1	31	-2.0	-118.49	301.47	5.05	-113.44
O=C([O-])C12CC(C(=O)[N-]C3=NC4=C(SC=C4)S3)(C1)OC2	REAL300004000800	1	28	-2.0	-96.95	278.29	3.13	-93.82
O=C(/C=C/C1=CC=C(C(=O)[O-])C=C1)[N-]C1=NC2=C(SC=C2)S1	REAL300004000801	1	30	-2.0	-94.09	302.37	6.79	-87.30
O=C([O-])C1(C(=O)[N-]C2=NC3=C(SC=C3)S2)CC2(CCC2)C1	REAL300004000802	1	33	-2.0	-118.83	299.69	6.31	-112.52
O=C(C=CC1=CC=C(C(=O)[O-])N=C1)[N-]C1=NC2=C(SC=C2)S1	REAL300004000808	1	29	-2.0	-96.15	298.14	5.02	-91.13
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300004000810	1	31	-2.0	-131.92	288.19	3.78	-128.14
CC(C)[C@]1(C(=O)[N-]C2=NC3=C(SC=C3)S2)C[C@H]1C(=O)[O-]	REAL300004000812	1	32	-2.0	-125.89	297.27	5.89	-120.00
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC2=C(SC=C2)S1	REAL300004000813	1	32	-2.0	-99.51	309.25	6.74	-92.77
O=C([O-])C1=CSC(CC(=O)[N-]C2=NC3=C(SC=C3)S2)=C1	REAL300004000814	1	26	-2.0	-102.15	284.09	5.41	-96.74
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC3=C(SC=C3)S2)C=C1F	REAL300004000815	1	29	-2.0	-99.59	297.09	6.30	-93.29
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(SC=C4)S3)(CC1)CC2	REAL300004000817	1	36	-2.0	-93.71	313.43	6.49	-87.22
CC(C)C1=CN=C([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300004000977	1	40	-2.0	-94.03	374.57	3.14	-90.89
CC(C)C1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)S1	REAL300004000993	1	39	-2.0	-103.14	329.66	7.11	-96.03
CC(C)C1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004000994	1	42	-2.0	-95.92	341.40	7.63	-88.29
CC(C)C1=CN=C([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)S1	REAL300004001001	1	41	-2.0	-111.91	363.95	7.31	-104.60
CC(C)C1=CN=C([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)S1	REAL300004001006	1	35	-2.0	-117.27	328.64	2.43	-114.84
CC(C)C1=CN=C([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)S1	REAL300004001011	1	39	-2.0	-108.03	339.68	6.65	-101.38
CC(C)C1=CN=C([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)S1	REAL300004001015	1	39	-2.0	-117.91	339.27	8.81	-109.10
CC(C)C1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)S1	REAL300004001017	1	39	-2.0	-112.26	353.86	8.87	-103.39
CC(C)C1=CN=C([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])S1	REAL300004001039	1	37	-2.0	-135.15	315.87	5.09	-130.06
CC(C)C1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004001045	1	42	-2.0	-95.92	341.40	7.63	-88.29
CCC1=CN=C([N-]C(=O)C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])O2)S1	REAL300004001156	1	41	-2.0	-111.70	380.11	4.72	-106.98
CCC1=CN=C([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300004001162	1	37	-2.0	-93.53	354.23	2.51	-91.02
CCC1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004001172	1	39	-2.0	-95.24	321.06	6.99	-88.25
CCC1=CN=C([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)S1	REAL300004001177	1	38	-2.0	-111.43	343.81	6.69	-104.74
CCC1=CN=C([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)S1	REAL300004001180	1	32	-2.0	-116.48	308.28	1.80	-114.68
CCC1=CN=C([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)S1	REAL300004001183	1	36	-2.0	-121.99	321.56	7.98	-114.01
CCC1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)S1	REAL300004001185	1	36	-2.0	-111.60	333.52	8.24	-103.36
CCC1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004001204	1	39	-2.0	-95.24	321.06	6.99	-88.25
CC(C)(C)C1=CN=C([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300004001215	1	43	-2.0	-94.59	392.35	3.58	-91.01
CC(C)(C)C1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)S1	REAL300004001231	1	34	-2.0	-105.93	315.44	3.85	-102.08
CC(C)(C)C1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)S1	REAL300004001241	1	42	-2.0	-104.45	347.69	7.56	-96.89
CC(C)(C)C1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004001242	1	45	-2.0	-96.59	359.18	8.07	-88.52
CC(C)(C)C1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)S1	REAL300004001248	1	35	-2.0	-104.54	320.34	5.33	-99.21
CC(C)(C)C1=CN=C([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300004001250	1	42	-2.0	-121.96	345.44	7.89	-114.07
CC(C)(C)C1=CN=C([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)S1	REAL300004001252	1	44	-2.0	-112.58	381.56	7.76	-104.82
C[C@@H]1C[C@H](C(=O)[N-]C2=NC=C(C(C)(C)C)S2)O[C@H]1C(=O)[O-]	REAL300004001256	1	39	-2.0	-111.08	335.97	6.63	-104.45
CC(C)(C)C1=CN=C([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)S1	REAL300004001261	1	38	-2.0	-118.09	346.41	2.87	-115.22
CC(C)(C)C1=CN=C([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)S1	REAL300004001266	1	35	-2.0	-119.57	319.69	5.35	-114.22
CC(C)(C)C1=CN=C([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)S1	REAL300004001268	1	42	-2.0	-108.71	357.46	7.09	-101.62
CC(C)(C)C1=CN=C([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)S1	REAL300004001274	1	42	-2.0	-123.93	359.67	9.05	-114.88
CC(C)(C)C1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)S1	REAL300004001276	1	42	-2.0	-113.00	371.64	9.31	-103.69
CC(C)(C)C1=CN=C([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)S1	REAL300004001297	1	37	-2.0	-100.56	323.97	4.70	-95.86
CC(C)(C)C1=CN=C([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300004001299	1	42	-2.0	-121.96	345.44	7.89	-114.07
CC(C)(C)C1=CN=C([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])S1	REAL300004001307	1	40	-2.0	-136.51	334.04	5.37	-131.14
CC(C)[C@]1(C(=O)[N-]C2=NC=C(C(C)(C)C)S2)C[C@H]1C(=O)[O-]	REAL300004001309	1	41	-2.0	-131.50	348.17	7.53	-123.97
CC(C)(C)C1=CN=C([N-]C(=O)CC2=CC(C(=O)[O-])=CS2)S1	REAL300004001311	1	35	-2.0	-105.88	329.84	7.00	-98.88
CC(C)(C)C1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004001314	1	45	-2.0	-96.59	359.18	8.07	-88.52
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300004003922	0	47	-2.0	-106.30	398.42	6.49	-99.81
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC1=CC=CC=C1)C(=O)[O-]	REAL300004004192	0	47	-2.0	-106.94	398.49	6.72	-100.22
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300004004608	1	41	-2.0	-98.37	369.48	2.52	-95.85
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(CC1=CC=CC=C1)C(=O)[O-]	REAL300004004845	0	44	-2.0	-107.68	383.59	5.78	-101.90
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(CC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300004005180	1	48	-2.0	-97.84	407.83	6.97	-90.87
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC(CC1=CC=CC=C1)C(=O)[O-]	REAL300004005396	0	44	-2.0	-102.37	390.00	5.84	-96.53
CC1=C(C(=O)NCC(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300004005484	1	50	-2.0	-116.81	407.67	7.27	-109.54
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(F)=C1)CC1=CC=CC=C1	REAL300004006543	1	37	-2.0	-98.49	329.40	6.72	-91.77
O=C([O-])C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC1=CC=CC=C1	REAL300004006556	1	40	-2.0	-107.32	359.74	9.26	-98.06
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300004006596	0	37	-2.0	-89.85	316.90	4.86	-84.99
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300004006596	1	37	-2.0	-89.87	316.96	4.88	-84.99
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300004006686	0	43	-2.0	-102.48	378.08	4.84	-97.64
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)CC1=CC=CC=C1	REAL300004006722	1	42	-2.0	-111.33	355.88	6.25	-105.08
O=C([O-])C(CNC(=O)C1=CN=CC([O-])=C1)CC1=CC=CC=C1	REAL300004006766	1	36	-2.0	-98.91	318.24	4.84	-94.07
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300004006878	0	47	-2.0	-120.15	411.70	8.96	-111.19
O=C([O-])C(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])CC1=CC=CC=C1	REAL300004006883	0	44	-2.0	-120.15	390.38	8.01	-112.14
O=C([O-])C(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)CC1=CC=CC=C1	REAL300004006929	1	42	-2.0	-122.83	356.99	8.92	-113.91
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(CC3=CC=CC=C3)C(=O)[O-])=N2)=C1	REAL300004007096	0	47	-2.0	-127.93	408.72	8.59	-119.34
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300004007097	0	50	-2.0	-124.51	418.67	9.71	-114.80
O=C([O-])C(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC1=CC=CC=C1	REAL300004007234	0	37	-2.0	-92.64	338.85	7.32	-85.32
COC1=C(C(=O)NCC(CC2=CC=CC=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300004007251	1	40	-2.0	-98.96	351.55	2.36	-96.60
O=C([O-])C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300004007355	0	40	-2.0	-92.89	338.40	5.64	-87.25
O=C([O-])C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300004007355	1	40	-2.0	-92.90	338.46	5.66	-87.24
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(Cl)=C1)CC1=CC=CC=C1	REAL300004007395	0	37	-2.0	-93.51	332.64	7.23	-86.28
CCOC1=CC(C(=O)NCC(CC2=CC=CC=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004007399	1	44	-2.0	-98.44	383.69	8.27	-90.17
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(CC3=CC=CC=C3)C(=O)[O-])=N2)C=C1	REAL300004007408	0	48	-2.0	-123.89	413.45	7.24	-116.65
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(CC2=CC=CC=C2)C(=O)[O-])=CO1	REAL300004007432	1	41	-2.0	-96.43	375.17	2.46	-93.97
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300004007600	0	40	-2.0	-92.75	358.94	5.35	-87.40
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300004007600	1	40	-2.0	-92.68	359.01	5.36	-87.32
O=C([O-])C(CNC(=O)C1=C[N-]N=CC1=O)CC1=CC=CC=C1	REAL300004007899	0	35	-2.0	-102.12	310.46	5.26	-96.86
COCC1=NC=C(C(=O)NCC(CC2=CC=CC=C2)C(=O)[O-])C(=O)[N-]1	REAL300004007935	1	42	-2.0	-113.42	364.29	3.86	-109.56
O=C([O-])C(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)CC1=CC=CC=C1	REAL300004007985	1	45	-2.0	-114.87	378.20	6.77	-108.10
O=C([O-])C(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC1=CC=CC=C1	REAL300004008313	0	37	-2.0	-104.88	353.80	9.30	-95.58
C=CCCCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300004009316	1	54	-2.0	-105.54	438.83	7.56	-97.98
C=CCCCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004009669	0	44	-2.0	-115.35	380.40	5.38	-109.97
C=CCCCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300004009981	0	44	-2.0	-116.38	381.31	5.55	-110.83
C=CCCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300004010031	1	46	-2.0	-126.53	403.30	10.47	-116.06
C=CCCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300004010483	1	47	-2.0	-96.69	406.89	3.80	-92.89
C=CCCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300004010484	1	38	-2.0	-95.92	352.29	1.34	-94.58
C=CCCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004010715	0	48	-2.0	-120.60	415.91	3.54	-117.06
C=CCCCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004010761	0	41	-2.0	-114.64	359.84	4.65	-109.99
C=CCCCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300004011135	1	45	-2.0	-110.60	394.03	5.75	-104.85
C=CCCCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004011370	0	41	-2.0	-107.11	365.42	4.76	-102.35
C=CCCCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300004011375	1	47	-2.0	-114.93	404.06	5.99	-108.94
C=CCCCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300004011379	0	47	-2.0	-116.97	402.81	6.33	-110.64
C=CCCCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300004011450	1	47	-2.0	-111.31	383.76	6.21	-105.10
C=CCCCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004012200	0	47	-2.0	-119.69	405.49	6.98	-112.71
C=CCCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004012395	1	37	-2.0	-117.26	335.16	8.16	-109.10
C=CCCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300004012494	0	40	-2.0	-103.36	360.89	3.68	-99.68
C=CCCCC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300004012525	1	39	-2.0	-110.08	338.79	5.09	-104.99
C=CCCCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300004012579	0	50	-2.0	-132.06	419.66	8.77	-123.29
C=CCCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300004012580	0	50	-2.0	-130.33	420.42	8.71	-121.62
C=CCCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300004012656	0	44	-2.0	-126.67	387.96	7.81	-118.86
C=CCCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300004012661	0	41	-2.0	-127.79	365.81	6.91	-120.88
C=CCCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300004012685	1	39	-2.0	-132.75	339.79	7.75	-125.00
C=CCCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300004012705	0	41	-2.0	-95.65	382.12	4.97	-90.68
C=CCCCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300004012754	0	33	-2.0	-98.82	321.35	4.68	-94.14
C=CCCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300004012817	0	44	-2.0	-135.02	384.74	7.52	-127.50
C=CCCCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300004012818	0	47	-2.0	-133.88	400.66	8.57	-125.31
C=CCCCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300004012878	1	47	-2.0	-113.47	404.16	5.89	-107.58
C=CCCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300004012921	0	34	-2.0	-96.51	321.66	6.16	-90.35
C=CCCCC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)[O-]	REAL300004012929	1	37	-2.0	-98.20	327.56	1.27	-96.93
C=CCCCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300004013036	1	41	-2.0	-101.33	365.67	7.17	-94.16
C=CCCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004013040	0	44	-2.0	-135.96	390.12	8.24	-127.72
C=CCCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300004013048	0	45	-2.0	-130.14	388.87	6.15	-123.99
C=CCCCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300004013068	1	38	-2.0	-102.06	351.43	1.33	-100.73
C=CCCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300004013199	0	37	-2.0	-90.16	335.19	4.22	-85.94
C=CCCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300004013199	1	37	-2.0	-90.12	335.26	4.23	-85.89
C=CCCCC(NC(=O)C1=CN=C(COC)[N-]C1=O)C(=O)[O-]	REAL300004013471	1	39	-2.0	-108.47	340.49	2.73	-105.74
C=CCCCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300004013510	1	42	-2.0	-110.21	354.54	5.63	-104.58
C=CCCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300004013771	0	34	-2.0	-113.19	329.21	8.20	-104.99
C=CCCCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300004014032	0	42	-2.0	-114.16	364.24	5.22	-108.94
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H](CC2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300004014835	0	44	-2.0	-114.43	390.21	6.32	-108.11
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O=C([O-])CCC1=CSC([N-]C(=O)CC(C2=CC=CC=C2)N2C=NN=N2)=N1	REAL300004031750	1	40	-2.0	-98.34	361.92	6.57	-91.77
O=C([O-])CCC1=CSC([N-]C(=O)CC2=C3NC=CC=C3N=C2)=N1	REAL300004031751	1	35	-2.0	-111.84	324.68	4.47	-107.37
COC1=C2NC=C(CC(=O)[N-]C3=NC(CCC(=O)[O-])=CS3)C2=CC=C1	REAL300004031752	1	40	-2.0	-101.43	359.75	5.63	-95.80
COCC(C)(O)CC(=O)[N-]C1=NC(CCC(=O)[O-])=CS1	REAL300004031753	1	36	-2.0	-97.62	317.60	1.69	-95.93
O=C([O-])CCC1=CSC([N-]C(=O)C2=C3CCCCC3=NNC2=O)=N1	REAL300004031764	1	38	-2.0	-110.46	331.23	4.16	-106.30
CC1=CN2CC(C(=O)[N-]C3=NC(CCC(=O)[O-])=CS3)CCC2=N1	REAL300004031768	1	39	-2.0	-92.83	340.99	6.32	-86.51
O=C([O-])CCC1=CSC([N-]C(=O)C23CC(C(F)(F)F)(C2)CO3)=N1	REAL300004031781	1	34	-2.0	-94.37	323.67	4.12	-90.25
CC1=C(F)C=CC=C1C1(C(=O)[N-]C2=NC(CCC(=O)[O-])=CS2)CC1	REAL300004031787	1	39	-2.0	-98.23	348.00	7.93	-90.30
O=C([O-])CCC1=CSC([N-]C(=O)C2(C3=CC=CS3)CCCC2)=N1	REAL300004031788	1	39	-2.0	-97.88	344.73	8.02	-89.86
O=C([O-])CCC1=CSC([N-]C(=O)C(C2=CC=CS2)C2CCCCC2)=N1	REAL300004031789	1	45	-2.0	-97.24	385.89	9.16	-88.08
O=C([O-])CCC1=CSC([N-]C(=O)CCC(=O)C2=CC=C3CCCCC3=C2)=N1	REAL300004031790	1	47	-2.0	-98.67	402.68	9.41	-89.26
N#CC1(C(=O)[N-]C2=NC(CCC(=O)[O-])=CS2)CC2CC2C1	REAL300004031791	1	34	-2.0	-95.03	311.51	6.01	-89.02
C=C(C)[C@@H]1OCCC[C@H]1C(=O)[N-]C1=NC(CCC(=O)[O-])=CS1	REAL300004031792	1	40	-2.0	-94.78	341.23	5.40	-89.38
CN1N=C(C(F)(F)F)C=C1CC(=O)[N-]C1=NC(CCC(=O)[O-])=CS1	REAL300004031796	1	35	-2.0	-92.81	339.95	4.79	-88.02
CC1CC(CC(=O)[N-]C2=NC(CCC(=O)[O-])=CS2)C(C)O1	REAL300004031797	1	39	-2.0	-93.88	334.94	4.91	-88.97
CCC1=CN2CCC(C(=O)[N-]C3=NC(CCC(=O)[O-])=CS3)CC2=N1	REAL300004031798	1	42	-2.0	-100.15	362.41	7.10	-93.05
O=C([O-])CCC1=CSC([N-]C(=O)CC2CCCC3CCCCC23)=N1	REAL300004031799	1	48	-2.0	-96.81	369.08	8.50	-88.31
CC1(C)[C@H](C(=O)[N-]C2=NC(CCC(=O)[O-])=CS2)[C@@H]1C(F)F	REAL300004031804	1	35	-2.0	-98.77	308.05	6.00	-92.77
CC(CC1=CC=NC=C1)C(=O)[N-]C1=NC(CCC(=O)[O-])=CS1	REAL300004031808	1	37	-2.0	-94.91	331.06	5.81	-89.10
O=C([O-])CCC1=CSC([N-]C(=O)C2CCCN3C=NN=C23)=N1	REAL300004031810	1	35	-2.0	-112.87	312.74	6.48	-106.39
CC1=CC=CC(C(O)C(=O)[N-]C2=NC(CCC(=O)[O-])=CS2)=C1	REAL300004031811	1	36	-2.0	-95.40	327.62	4.93	-90.47
O=C([O-])CCC1=CSC([N-]C(=O)C2(CC3=CC=C(O)C=C3)CC2)=N1	REAL300004031812	1	40	-2.0	-101.40	352.45	7.02	-94.38
O=C([O-])CCC1=CSC([N-]C(=O)C(O)CC2=CC=CC=C2)=N1	REAL300004031818	1	36	-2.0	-94.92	330.01	4.90	-90.02
CC1CCCC(O)(C(=O)[N-]C2=NC(CCC(=O)[O-])=CS2)CC1	REAL300004031821	1	42	-2.0	-95.00	339.01	4.16	-90.84
CC(C)(C)C1CCC(C(O)C(=O)[N-]C2=NC(CCC(=O)[O-])=CS2)CC1	REAL300004031822	1	51	-2.0	-95.46	396.26	6.45	-89.01
O=C([O-])CCC1=CSC([N-]C(=O)CCC(=O)C2=CC=C(Cl)C=C2)=N1	REAL300004031823	1	37	-2.0	-95.56	356.66	7.44	-88.12
CCC1=NNC(CC)=C1CC(=O)[N-]C1=NC(CCC(=O)[O-])=CS1	REAL300004031827	1	41	-2.0	-97.57	358.98	5.24	-92.33
O=C([O-])CCC1=CSC([N-]C(=O)[C@@H](O)CC2=CC3=CC=CC=C3C=C2)=N1	REAL300004031829	1	42	-2.0	-97.09	376.07	7.16	-89.93
O=C([O-])CCC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C=C2)=N1	REAL300004031830	1	36	-2.0	-95.68	342.96	8.17	-87.51
O=C([O-])CCC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=N1	REAL300004031833	1	36	-2.0	-98.17	326.24	7.65	-90.52
O=C([O-])CCC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC(Br)=C2)=N1	REAL300004031835	1	36	-2.0	-96.32	347.52	8.26	-88.06
O=C([O-])CCC1=CSC([N-]C(=O)C2CCC3=NN=CN3C2)=N1	REAL300004031836	1	35	-2.0	-91.97	313.60	6.42	-85.55
O=C([O-])CCC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)=N1	REAL300004031837	1	36	-2.0	-98.17	326.24	7.65	-90.52
O=C([O-])CCC1=CSC([N-]C(=O)[C@H]2C[C@@H]2C2=CC=CC=C2)=N1	REAL300004031840	1	36	-2.0	-98.14	326.23	7.65	-90.49
CC1C(C(=O)[N-]C2=NC(CCC(=O)[O-])=CS2)C1C1=CC=CC=C1	REAL300004031841	1	39	-2.0	-98.34	343.69	8.18	-90.16
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)[N-]C1=NC(CCC(=O)[O-])=CS1	REAL300004031842	1	42	-2.0	-98.86	363.70	8.86	-90.00
O=C([O-])CCC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2F)=N1	REAL300004031844	1	36	-2.0	-102.17	331.75	7.67	-94.50
O=C([O-])CCC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC(O)=C2)=N1	REAL300004031845	1	37	-2.0	-99.20	337.24	4.79	-94.41
O=C([O-])CCC1=CSC([N-]C(=O)C23CC(C2)CN3C2CC2)=N1	REAL300004031846	1	39	-2.0	-99.14	330.57	4.97	-94.17
O=C([O-])CCC1=CSC([N-]C(=O)[C@H]2C[C@H](N3C=NN=C3)C2)=N1	REAL300004031847	1	35	-2.0	-95.33	318.25	7.32	-88.01
COC1=CC=CC([C@@H]2C[C@H]2C(=O)[N-]C2=NC(CCC(=O)[O-])=CS2)=C1	REAL300004031848	1	40	-2.0	-100.75	355.72	6.95	-93.80
O=C([O-])CCC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300004031849	1	36	-2.0	-94.52	358.15	8.61	-85.91
O=C([O-])CCC1=CSC([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(Br)C=C2)=N1	REAL300004031850	1	36	-2.0	-95.63	347.52	8.27	-87.36
CCCC1=CSC([N-]C(=O)CCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300004033626	1	38	-2.0	-91.86	340.56	7.74	-84.12
CCCC1=CSC([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300004033628	1	40	-2.0	-90.73	373.21	2.65	-88.08
CCCC1=CSC([N-]C(=O)CCC2=CC=CC=C2C(=O)[O-])=N1	REAL300004033633	1	38	-2.0	-114.70	331.96	7.48	-107.22
CCCC1=CSC([N-]C(=O)CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300004033635	1	35	-2.0	-103.23	319.17	6.92	-96.31
CCCC1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300004033637	1	35	-2.0	-96.08	319.17	6.93	-89.15
CCCC1=CSC([N-]C(=O)CC2CCC(C(=O)[O-])CC2)=N1	REAL300004033643	1	41	-2.0	-99.27	330.96	6.94	-92.33
CCCC1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)=N1	REAL300004033644	1	39	-2.0	-96.92	328.56	6.64	-90.28
CCCC1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300004033645	1	42	-2.0	-91.44	340.07	7.15	-84.29
CCCC1=CSC([N-]C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300004033648	1	45	-2.0	-104.91	373.40	9.15	-95.76
CCCC1=CSC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300004033650	1	39	-2.0	-117.09	326.32	6.97	-110.12
CCCC1=CSC([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)=N1	REAL300004033652	1	41	-2.0	-106.30	362.78	6.84	-99.46
CCCC1=CSC([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)=N1	REAL300004033657	1	35	-2.0	-110.51	327.28	1.90	-108.61
CCCC1=CSC([N-]C(=O)CCCN2C=CC(C(=O)[O-])=N2)=N1	REAL300004033661	1	38	-2.0	-109.74	344.18	5.79	-103.95
CCCC1=CSC([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=N1	REAL300004033662	1	39	-2.0	-100.55	338.12	6.09	-94.46
CCCC1=CSC([N-]C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)=N1	REAL300004033663	1	39	-2.0	-93.93	337.21	5.06	-88.87
CCCC1=CSC([N-]C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])=N1	REAL300004033664	1	40	-2.0	-124.07	326.03	7.26	-116.81
CCCC1=CSC([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)=N1	REAL300004033666	1	39	-2.0	-115.94	337.91	8.32	-107.62
CCCC1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300004033668	1	39	-2.0	-106.13	352.50	8.39	-97.74
CCCC1=CSC([N-]C(=O)C2CC3(CC(C(=O)[O-])C3)C2)=N1	REAL300004033673	1	39	-2.0	-92.46	335.15	7.12	-85.34
CCCC1=CSC([N-]C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)=N1	REAL300004033676	1	36	-2.0	-92.70	328.57	6.77	-85.93
CCCC1=CSC([N-]C(=O)CCC2=CC=CN=C2C(=O)[O-])=N1	REAL300004033682	1	37	-2.0	-116.47	328.06	5.71	-110.76
CCCC1=CSC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300004033684	1	39	-2.0	-117.09	326.32	6.97	-110.12
CCCC1=CSC([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=N1	REAL300004033690	1	37	-2.0	-129.18	314.51	4.60	-124.58
CCCC1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300004033692	1	38	-2.0	-96.78	335.87	7.40	-89.38
CCCC1=CSC([N-]C(=O)CC2=CC(C(=O)[O-])=CS2)=N1	REAL300004033693	1	32	-2.0	-99.47	310.71	6.07	-93.40
CCCC1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300004033694	1	35	-2.0	-96.81	323.70	6.96	-89.85
CCCC1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300004033696	1	42	-2.0	-91.44	340.07	7.15	-84.29
CC(C)(C)CC1=CSC([N-]C(=O)CCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300004033893	1	44	-2.0	-91.48	373.79	9.26	-82.22
CC(C)(C)CC1=CSC([N-]C(=O)CCC2=CC=CC=C2C(=O)[O-])=N1	REAL300004033901	1	44	-2.0	-114.97	365.17	9.00	-105.97
CC(C)(C)CC1=CSC([N-]C(=O)CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300004033903	1	41	-2.0	-103.33	352.38	8.44	-94.89
CC(C)(C)CC1=CSC([N-]C(=O)C2CCCC(C(=O)[O-])C2)=N1	REAL300004033904	1	44	-2.0	-102.13	354.30	7.99	-94.14
CC(C)(C)CC1=CSC([N-]C(=O)CC(C)(C)CC(=O)[O-])=N1	REAL300004033907	1	43	-2.0	-93.54	336.88	7.20	-86.34
CC(C)(C)CC1=CSC([N-]C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300004033910	1	44	-2.0	-91.76	353.53	7.99	-83.77
CC(C)(C)CC1=CSC([N-]C(=O)C2CCC(C(=O)[O-])CC2)=N1	REAL300004033911	1	44	-2.0	-92.36	354.82	8.01	-84.35
CC(C)(C)CC1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300004033912	1	41	-2.0	-96.01	352.39	8.45	-87.56
CC(C)(C)CC1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)=N1	REAL300004033913	1	37	-2.0	-99.20	329.54	4.45	-94.75
CC(C)(C)CC1=CSC([N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300004033917	1	41	-2.0	-101.30	335.14	7.35	-93.95
CC(C)(C)CC1=CSC([N-]C(=O)C23CC(C(=O)[O-])(C2)C3)=N1	REAL300004033923	1	39	-2.0	-94.64	330.96	7.36	-87.28
CC(C)(C)CC1=CSC([N-]C(=O)CC2CCC(C(=O)[O-])CC2)=N1	REAL300004033924	1	47	-2.0	-99.22	364.18	8.46	-90.76
CC(C)(C)CC1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)=N1	REAL300004033925	1	45	-2.0	-96.69	361.51	8.15	-88.54
CC(C)(C)CC1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300004033926	1	48	-2.0	-91.43	373.29	8.67	-82.76
CC(C)(C)CC1=CSC([N-]C(=O)CC(C)(C)CC(=O)[O-])=N1	REAL300004033927	1	43	-2.0	-93.54	336.88	7.20	-86.34
CC(C)(C)CC1=CSC([N-]C(=O)C2(C(=O)[O-])CCCC2)=N1	REAL300004033931	1	41	-2.0	-115.98	331.04	7.58	-108.40
CC(C)(C)CC1=CSC([N-]C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300004033932	1	51	-2.0	-104.85	406.61	10.67	-94.18
CC(C)(C)CC1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300004033935	1	38	-2.0	-97.95	334.43	5.93	-92.02
CC(C)(C)CC1=CSC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300004033937	1	45	-2.0	-117.69	359.54	8.49	-109.20
CC(C)(C)CC1=CSC([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)=N1	REAL300004033939	1	47	-2.0	-106.17	396.01	8.36	-97.81
CC(C)(C)CC1=CSC([N-]C(=O)CCSCC(=O)[O-])=N1	REAL300004033940	1	38	-2.0	-89.96	337.55	6.96	-83.00
C[C@@H]1C[C@H](C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)O[C@H]1C(=O)[O-]	REAL300004033943	1	42	-2.0	-103.45	350.06	7.20	-96.25
CC(C)(C)CC1=CSC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N1	REAL300004033944	1	43	-2.0	-100.40	347.67	7.31	-93.09
CC(C)(C)CC1=CSC([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)=N1	REAL300004033949	1	41	-2.0	-110.54	360.47	3.42	-107.12
CC(C)(C)CC1=CSC([N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300004033951	1	41	-2.0	-101.30	335.14	7.35	-93.95
CC(C)(C)CC1=CSC([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)=N1	REAL300004033955	1	38	-2.0	-111.94	333.80	5.95	-105.99
CC(C)(C)CC1=CSC([N-]C(=O)CCCN2C=CC(C(=O)[O-])=N2)=N1	REAL300004033956	1	44	-2.0	-109.70	377.41	7.31	-102.39
CC(C)(C)CC1=CSC([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=N1	REAL300004033957	1	45	-2.0	-100.56	371.34	7.61	-92.95
CC(C)(C)CC1=CSC([N-]C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)=N1	REAL300004033958	1	45	-2.0	-93.92	370.46	6.57	-87.35
CC(C)(C)CC1=CSC([N-]C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])=N1	REAL300004033960	1	46	-2.0	-125.08	359.26	8.78	-116.30
CC(C)(C)CC1=CSC([N-]C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])=N1	REAL300004033961	1	44	-2.0	-115.40	342.09	8.41	-106.99
CC(C)(C)CC1=CSC([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)=N1	REAL300004033963	1	45	-2.0	-119.18	373.76	9.66	-109.52
CC(C)(C)CC1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300004033965	1	45	-2.0	-106.15	385.73	9.91	-96.24
CC(C)(C)CC1=CSC([N-]C(=O)C2CC3(CC3C(=O)[O-])C2)=N1	REAL300004033966	1	42	-2.0	-99.40	348.08	8.09	-91.31
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300004033967	1	44	-2.0	-122.89	361.09	8.74	-114.15
CC(C)(C)CC1=CSC([N-]C(=O)C2CC(C)(C(=O)[O-])C2)=N1	REAL300004033969	1	41	-2.0	-98.70	336.84	7.19	-91.51
CC(C)(C)CC1=CSC([N-]C(=O)C2CC3(CC(C(=O)[O-])C3)C2)=N1	REAL300004033975	1	45	-2.0	-91.88	368.67	8.64	-83.24
CC(C)(C)CC1=CSC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300004033978	1	39	-2.0	-116.89	326.21	7.14	-109.75
CC(C)(C)CC1=CSC([N-]C(=O)CC2(CC(=O)[O-])CC2)=N1	REAL300004033981	1	41	-2.0	-104.59	340.31	7.49	-97.10
CC(C)(C)CC1=CSC([N-]C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)=N1	REAL300004033982	1	42	-2.0	-92.79	361.78	8.29	-84.50
CC(C)(C)CC1=CSC([N-]C(=O)CCC2=CC=CN=C2C(=O)[O-])=N1	REAL300004033989	1	43	-2.0	-116.88	361.31	7.23	-109.65
CC(C)(C)CC1=CSC([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)=N1	REAL300004033990	1	40	-2.0	-94.87	338.07	5.31	-89.56
CC(C)(C)CC1=CSC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300004033992	1	45	-2.0	-117.69	359.54	8.49	-109.20
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300004033999	1	39	-2.0	-116.12	329.84	7.35	-108.77
CC(C)(C)CC1=CSC([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=N1	REAL300004034001	1	43	-2.0	-130.27	347.74	6.12	-124.15
CC(C)[C@]1(C(=O)[N-]C2=NC(CC(C)(C)C)=CS2)C[C@H]1C(=O)[O-]	REAL300004034003	1	44	-2.0	-124.23	357.39	7.83	-116.40
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC(CC(C)(C)C)=CS1	REAL300004034004	1	44	-2.0	-96.72	369.09	8.92	-87.80
CC(C)(C)CC1=CSC([N-]C(=O)CC2=CC(C(=O)[O-])=CS2)=N1	REAL300004034005	1	38	-2.0	-99.49	343.93	7.59	-91.90
CC(C)(C)CC1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300004034006	1	41	-2.0	-96.74	356.92	8.48	-88.26
CC(C)(C)CC1=CSC([N-]C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)=N1	REAL300004034007	1	41	-2.0	-119.76	334.36	7.32	-112.44
CC(C)(C)CC1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300004034009	1	48	-2.0	-91.43	373.29	8.67	-82.76
CCCC1=CN=C([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300004034015	1	40	-2.0	-93.43	375.73	3.30	-90.13
CCCC1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)S1	REAL300004034031	1	39	-2.0	-102.39	330.81	7.26	-95.13
CCCC1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004034032	1	42	-2.0	-95.26	342.57	7.78	-87.48
CCCC1=CN=C([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)S1	REAL300004034039	1	41	-2.0	-111.29	365.13	7.46	-103.83
CCCC1=CN=C([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)S1	REAL300004034044	1	35	-2.0	-116.43	329.79	2.59	-113.84
CCCC1=CN=C([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)S1	REAL300004034049	1	39	-2.0	-107.29	340.84	6.80	-100.49
CCCC1=CN=C([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)S1	REAL300004034053	1	39	-2.0	-117.15	340.42	8.95	-108.20
CCCC1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)S1	REAL300004034055	1	39	-2.0	-111.60	355.02	9.02	-102.58
CCCC1=CN=C([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])S1	REAL300004034077	1	37	-2.0	-134.39	317.02	5.24	-129.15
CCCC1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004034083	1	42	-2.0	-95.26	342.57	7.78	-87.48
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])N=N1)=N2	REAL300004034106	1	44	-2.0	-107.28	366.80	5.82	-101.46
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)C3)=N2	REAL300004034114	1	46	-2.0	-101.97	368.43	8.71	-93.26
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)C3)=N2	REAL300004034118	1	52	-2.0	-105.39	398.81	9.52	-95.87
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)=N2	REAL300004034119	1	55	-2.0	-98.21	410.55	10.04	-88.17
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])C=N1)=N2	REAL300004034128	1	45	-2.0	-105.91	371.73	7.30	-98.61
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)COCC(=O)[O-])=N2	REAL300004034134	1	42	-2.0	-112.46	343.92	6.95	-105.51
C[C@@H]1C[C@H](C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)O[C@H]1C(=O)[O-]	REAL300004034136	1	49	-2.0	-112.72	387.38	8.60	-104.12
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N2	REAL300004034137	1	50	-2.0	-109.70	384.94	8.69	-101.01
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)COCC1=C(C(=O)[O-])N=CO1)=N2	REAL300004034142	1	48	-2.0	-119.67	397.75	4.84	-114.83
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)CN1C=CC(C(=O)[O-])=N1)=N2	REAL300004034148	1	45	-2.0	-121.05	371.06	7.32	-113.73
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)=N2	REAL300004034151	1	52	-2.0	-110.19	408.83	9.05	-101.14
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)=N2	REAL300004034162	1	52	-2.0	-121.32	408.40	11.21	-110.11
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC=CC1)=N2	REAL300004034177	1	46	-2.0	-123.53	362.12	8.66	-114.87
COC(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300004034183	1	42	-2.0	-122.20	342.23	6.80	-115.40
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])=N2	REAL300004034184	1	45	-2.0	-132.63	360.36	8.11	-124.52
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)CO3)=N2	REAL300004034188	1	47	-2.0	-102.36	375.39	6.68	-95.68
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300004034191	1	45	-2.0	-119.32	354.01	8.65	-110.67
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)C)CC2)S1	REAL300004034197	1	46	-2.0	-123.25	367.30	8.72	-114.53
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])=N2	REAL300004034199	1	50	-2.0	-138.98	385.24	7.66	-131.32
CC(C)[C@]1(C(=O)[N-]C2=NC3=C(CC(C(C)(C)C)CC3)S2)C[C@H]1C(=O)[O-]	REAL300004034200	1	51	-2.0	-133.74	395.66	9.19	-124.55
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)=N2	REAL300004034205	1	55	-2.0	-98.21	410.55	10.04	-88.17
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(C3CCCCC3)S2)N=N1	REAL300004034600	1	38	-2.0	-105.53	339.30	5.31	-100.22
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(C4CCCCC4)S3)(C1)C2	REAL300004034608	1	40	-2.0	-99.88	340.72	8.21	-91.67
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCC1	REAL300004034609	1	39	-2.0	-117.90	324.34	7.79	-110.11
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(C4CCCCC4)S3)(CC1)C2	REAL300004034611	1	46	-2.0	-104.03	371.55	9.01	-95.02
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(C4CCCCC4)S3)(CC1)CC2	REAL300004034612	1	49	-2.0	-96.39	383.05	9.53	-86.86
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CCCC1	REAL300004034618	1	42	-2.0	-120.89	340.79	8.44	-112.45
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(C3CCCCC3)S2)N=C1	REAL300004034622	1	39	-2.0	-104.16	344.22	6.79	-97.37
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC2(CCC2)C1	REAL300004034624	1	46	-2.0	-121.74	369.29	9.35	-112.39
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C1	REAL300004034626	1	48	-2.0	-112.58	405.76	9.22	-103.36
C[C@@H]1C[C@H](C(=O)[N-]C2=NC=C(C3CCCCC3)S2)O[C@H]1C(=O)[O-]	REAL300004034630	1	43	-2.0	-110.68	359.80	8.09	-102.59
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300004034631	1	44	-2.0	-107.77	357.43	8.17	-99.60
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC=C(C2CCCCC2)S1	REAL300004034636	1	42	-2.0	-117.54	370.24	4.32	-113.22
O=C([O-])C1=NN(CC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C=C1	REAL300004034642	1	39	-2.0	-119.24	343.56	6.81	-112.43
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC=C(C3CCCCC3)S2)O1	REAL300004034645	1	46	-2.0	-108.36	381.30	8.54	-99.82
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC1C1=CC=CC=C1	REAL300004034653	1	46	-2.0	-122.03	383.74	10.52	-111.51
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(C3CCCCC3)S2)C2=CC=CC=C12	REAL300004034655	1	46	-2.0	-112.59	395.49	10.76	-101.83
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC=CC1	REAL300004034670	1	40	-2.0	-121.13	335.99	8.00	-113.13
C[C@]1(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C[C@H]1C(=O)[O-]	REAL300004034676	1	39	-2.0	-130.09	329.39	8.74	-121.35
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(C4CCCCC4)S3)(C1)OC2	REAL300004034683	1	41	-2.0	-100.21	347.82	6.16	-94.05
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300004034685	1	39	-2.0	-116.80	326.50	8.14	-108.66
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)CC2(CCC2)C1	REAL300004034686	1	46	-2.0	-121.74	369.29	9.35	-112.39
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300004034693	1	40	-2.0	-120.71	339.78	8.21	-112.50
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC=C(C2CCCCC2)S1	REAL300004034695	1	44	-2.0	-136.12	357.48	7.00	-129.12
CC(C)[C@]1(C(=O)[N-]C2=NC=C(C3CCCCC3)S2)C[C@H]1C(=O)[O-]	REAL300004034697	1	45	-2.0	-130.63	367.29	8.74	-121.89
O=C([O-])C1=CSC(CC(=O)[N-]C2=NC=C(C3CCCCC3)S2)=C1	REAL300004034699	1	39	-2.0	-105.56	353.69	8.45	-97.11
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(C4CCCCC4)S3)(CC1)CC2	REAL300004034703	1	49	-2.0	-96.39	383.05	9.53	-86.86
O=C([O-])C1=CC=C(CCC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C=C1	REAL300004034815	1	42	-2.0	-92.79	379.06	9.97	-82.82
O=C([O-])C1=CC=CC=C1CCC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300004034821	1	42	-2.0	-116.02	370.46	9.70	-106.32
O=C([O-])C1=CC(CC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)=CC=C1	REAL300004034823	1	39	-2.0	-104.30	357.67	9.15	-95.15
O=C([O-])C1(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CC1	REAL300004034824	1	33	-2.0	-114.54	307.02	7.08	-107.46
O=C([O-])C1(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CC1	REAL300004034825	1	33	-2.0	-114.54	307.02	7.08	-107.46
O=C([O-])C1CCCC(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C1	REAL300004034826	1	42	-2.0	-102.88	359.58	8.70	-94.18
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300004034829	1	41	-2.0	-94.46	342.16	7.91	-86.55
O=C([O-])[C@H]1CC[C@H](C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CC1	REAL300004034832	1	42	-2.0	-93.54	360.13	8.72	-84.82
O=C([O-])C1CCC(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CC1	REAL300004034833	1	42	-2.0	-93.53	360.12	8.72	-84.81
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C=C1	REAL300004034834	1	39	-2.0	-97.02	357.67	9.16	-87.86
O=C([O-])C1=CN(CC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)N=N1	REAL300004034835	1	35	-2.0	-100.05	334.82	5.15	-94.90
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)C1	REAL300004034838	1	39	-2.0	-101.92	340.38	8.07	-93.85
O=C([O-])C12CC(C(=O)[N-]C3=NC(CC4=CC=CC=C4)=CS3)(C1)C2	REAL300004034843	1	37	-2.0	-95.63	336.24	8.07	-87.56
O=C([O-])C1(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CCC1	REAL300004034844	1	36	-2.0	-114.91	320.47	7.48	-107.43
CC(C)(C(=O)[O-])C(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300004034845	1	35	-2.0	-110.86	314.87	7.57	-103.29
O=C([O-])C1CCC(CC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CC1	REAL300004034846	1	45	-2.0	-100.02	369.46	9.16	-90.86
O=C([O-])C12CCC(C(=O)[N-]C3=NC(CC4=CC=CC=C4)=CS3)(CC1)C2	REAL300004034847	1	43	-2.0	-97.55	366.81	8.86	-88.69
O=C([O-])C12CCC(C(=O)[N-]C3=NC(CC4=CC=CC=C4)=CS3)(CC1)CC2	REAL300004034848	1	46	-2.0	-92.52	378.58	9.36	-83.16
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300004034849	1	41	-2.0	-94.46	342.16	7.91	-86.55
O=C([O-])CCCC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300004034850	1	35	-2.0	-100.24	319.81	7.08	-93.16
CC(CC(=O)[O-])CC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300004034851	1	38	-2.0	-97.95	332.41	7.55	-90.40
O=C([O-])C1(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CCCC1	REAL300004034855	1	39	-2.0	-116.78	337.99	8.09	-108.69
O=C([O-])C1=CN(CC(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)N=C1	REAL300004034858	1	36	-2.0	-98.88	339.75	6.63	-92.25
O=C([O-])C1(C(=O)[N-]C2=NC(CC3=CC=CC=C3)=CS2)CC2(CCC2)C1	REAL300004034860	1	43	-2.0	-117.79	364.82	9.19	-108.60
O=C([O-])CSCCC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300004034862	1	36	-2.0	-91.05	342.83	7.67	-83.38
O=C([O-])COCC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300004034864	1	33	-2.0	-103.78	311.93	6.24	-97.54
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C[C@@H]1C[C@H](C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)O[C@H]1C(=O)[O-]	REAL300004036073	1	44	-2.0	-105.47	355.73	7.56	-97.91
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036074	1	45	-2.0	-102.99	346.85	7.44	-95.55
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036079	1	43	-2.0	-113.34	359.66	3.54	-109.80
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300004036081	1	43	-2.0	-103.27	340.73	7.71	-95.56
O=C([O-])C1=NN(CC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C=C1	REAL300004036085	1	40	-2.0	-114.14	332.96	6.07	-108.07
O=C([O-])C1=NN(CCCC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C=C1	REAL300004036086	1	46	-2.0	-112.08	376.57	7.44	-104.64
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036087	1	40	-2.0	-126.59	314.94	6.76	-119.83
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)O1	REAL300004036088	1	47	-2.0	-103.50	376.96	8.65	-94.85
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036089	1	47	-2.0	-95.94	375.88	6.93	-89.01
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036090	1	40	-2.0	-126.59	314.94	6.76	-119.83
O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036091	1	37	-2.0	-122.67	301.63	6.34	-116.33
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036093	1	48	-2.0	-131.21	351.12	9.16	-122.05
CCC(C(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036094	1	39	-2.0	-115.03	306.66	6.60	-108.43
CC(C)C(C(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036095	1	42	-2.0	-118.90	327.92	6.91	-111.99
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036096	1	46	-2.0	-118.45	347.56	8.76	-109.69
O=C(CN1CCCC(C(=O)[O-])C1)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036097	1	48	-2.0	-94.69	366.78	5.95	-88.74
O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036098	1	37	-2.0	-102.78	310.40	6.67	-96.11
O=C([O-])C1(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1C1=CC=CC=C1	REAL300004036099	1	47	-2.0	-119.21	369.52	10.19	-109.02
O=C([O-])C1=CN(CC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C2=CC=CC=C12	REAL300004036101	1	47	-2.0	-108.46	384.90	10.04	-98.42
O=C([O-])C1CC12CC(C(=O)[N-]C1=NC(C3CC4CCC3C4)=CS1)C2	REAL300004036102	1	44	-2.0	-102.49	349.27	8.26	-94.23
O=C([O-])[C@H]1C[C@@H](C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300004036103	1	40	-2.0	-104.10	325.33	7.14	-96.96
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036104	1	46	-2.0	-125.90	365.15	8.84	-117.06
CC1(C(=O)[O-])CC(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C1	REAL300004036106	1	43	-2.0	-101.41	336.02	7.32	-94.09
CCCC(C(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036110	1	42	-2.0	-119.24	333.34	7.12	-112.12
O=C([O-])C1CC2(C1)CC(C(=O)[N-]C1=NC(C3CC4CCC3C4)=CS1)C2	REAL300004036113	1	47	-2.0	-94.59	373.88	9.00	-85.59
O=C([O-])C1(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC=CC1	REAL300004036116	1	41	-2.0	-119.78	324.03	7.41	-112.37
O=C([O-])CC1(CC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC1	REAL300004036119	1	43	-2.0	-108.91	338.81	7.62	-101.29
O=C([O-])C1C(F)(F)C12CC(C(=O)[N-]C1=NC(C3CC4CCC3C4)=CS1)C2	REAL300004036120	1	44	-2.0	-95.29	360.96	8.40	-86.89
COC(C(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036122	1	37	-2.0	-117.09	304.13	5.51	-111.58
C[C@]1(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C[C@H]1C(=O)[O-]	REAL300004036123	1	40	-2.0	-126.25	329.08	7.16	-119.09
O=C([O-])C1=NC=CC=C1CCC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036127	1	45	-2.0	-119.36	360.48	7.35	-112.01
O=C([O-])C12CC(C(=O)[N-]C3=NC(C4CC5CCC4C5)=CS3)(C1)OC2	REAL300004036128	1	42	-2.0	-97.52	337.31	5.44	-92.08
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036130	1	40	-2.0	-117.40	315.91	7.41	-109.99
O=C([O-])C1(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)CC2(CCC2)C1	REAL300004036131	1	47	-2.0	-120.03	365.13	8.84	-111.19
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036138	1	41	-2.0	-120.08	329.00	7.48	-112.60
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036140	1	45	-2.0	-132.32	353.55	6.32	-126.00
CC(C)[C@]1(C(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C[C@H]1C(=O)[O-]	REAL300004036142	1	46	-2.0	-130.43	356.73	8.01	-122.42
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036143	1	46	-2.0	-99.20	368.25	9.04	-90.16
O=C([O-])C1=CSC(CC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)=C1	REAL300004036144	1	40	-2.0	-102.20	343.10	7.71	-94.49
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC(C3CC4CCC3C4)=CS2)C=C1F	REAL300004036145	1	43	-2.0	-99.18	356.11	8.60	-90.58
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300004036146	1	43	-2.0	-122.28	339.99	7.67	-114.61
O=C([O-])C12CCC(C(=O)[N-]C3=NC(C4CC5CCC4C5)=CS3)(CC1)CC2	REAL300004036147	1	50	-2.0	-94.03	372.45	8.78	-85.25
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=NC=C(C(=O)[O-])S2)=C1	REAL300004037546	0	37	-2.0	-93.55	350.81	2.24	-91.31
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300004037855	0	37	-2.0	-94.47	350.88	2.47	-92.00
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300004037903	1	39	-2.0	-100.05	373.25	7.40	-92.65
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC=C(C(=O)[O-])S2)O1	REAL300004038344	1	40	-2.0	-90.54	376.63	0.70	-89.84
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC=C(C(=O)[O-])S2)O1	REAL300004038345	1	31	-2.0	-90.08	321.86	-1.74	-91.82
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300004038620	0	34	-2.0	-93.25	329.42	1.57	-91.68
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=NC=C(C(=O)[O-])S2)=CS1	REAL300004038974	1	38	-2.0	-93.75	363.62	2.67	-91.08
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300004039213	0	34	-2.0	-88.57	335.83	1.64	-86.93
CC1=C(CC(=O)NCC2=NC=C(C(=O)[O-])S2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004039216	1	40	-2.0	-98.85	374.46	2.87	-95.98
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC=C(C(=O)[O-])S1	REAL300004039219	0	40	-2.0	-94.91	372.38	3.25	-91.66
CC1=C(C(=O)NCC2=NC=C(C(=O)[O-])S2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004039300	1	40	-2.0	-92.83	353.50	3.05	-89.78
O=C([O-])C1=CN=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])S1	REAL300004040339	1	30	-2.0	-92.23	305.57	5.05	-87.18
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300004040446	0	33	-2.0	-92.74	330.46	0.59	-92.15
O=C([O-])C1=CN=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)S1	REAL300004040480	1	32	-2.0	-92.01	308.02	2.07	-89.94
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=NC=C(C(=O)[O-])S3)=N2)=C1	REAL300004040539	0	43	-2.0	-105.65	390.06	5.63	-100.02
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC=C(C(=O)[O-])S3)=N2)C=C1	REAL300004040540	0	43	-2.0	-104.17	390.00	5.63	-98.54
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=NC=C(C(=O)[O-])S2)=N1	REAL300004040631	0	37	-2.0	-101.18	357.53	4.73	-96.45
O=C([O-])C1=CN=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])S1	REAL300004040636	0	34	-2.0	-101.77	336.21	3.78	-97.99
O=C([O-])C1=CN=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)S1	REAL300004040667	1	32	-2.0	-102.79	309.37	4.66	-98.13
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=NC=C(C(=O)[O-])S3)=N2)=C1	REAL300004040822	0	37	-2.0	-107.98	354.55	4.35	-103.63
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=NC=C(C(=O)[O-])S2)=N1	REAL300004040823	0	40	-2.0	-105.07	364.07	5.50	-99.57
CC1=C(CC(=O)NCC2=NC=C(C(=O)[O-])S2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004040893	1	40	-2.0	-97.57	373.73	2.82	-94.75
O=C([O-])C1=CN=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)S1	REAL300004040945	0	27	-2.0	-86.20	291.23	3.05	-83.15
COC1=C(C(=O)NCC2=NC=C(C(=O)[O-])S2)NC(=O)[N-]C1=O	REAL300004040958	1	30	-2.0	-89.59	297.41	-1.87	-91.46
O=C([O-])C1=CN=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)S1	REAL300004041087	0	27	-2.0	-85.86	285.02	3.00	-82.86
CCOC1=CC(C(=O)NCC2=NC=C(C(=O)[O-])S2)=CC(Cl)=C1[O-]	REAL300004041090	1	34	-2.0	-90.27	336.08	4.03	-86.24
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC=C(C(=O)[O-])S3)=N2)C=C1	REAL300004041102	0	38	-2.0	-103.59	359.28	3.00	-100.59
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=NC=C(C(=O)[O-])S2)=CO1	REAL300004041125	1	31	-2.0	-90.09	321.00	-1.77	-91.86
O=C([O-])C1=CN=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300004041281	0	30	-2.0	-83.53	304.77	1.14	-82.39
O=C([O-])C1=CN=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300004041281	1	30	-2.0	-83.52	304.84	1.14	-82.38
COCC1=NC=C(C(=O)NCC2=NC=C(C(=O)[O-])S2)C(=O)[N-]1	REAL300004041601	1	32	-2.0	-90.67	310.12	-0.34	-91.01
O=C([O-])C1=CN=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)S1	REAL300004041645	1	35	-2.0	-91.57	324.03	2.56	-89.01
O=C([O-])C1=CN=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])S1	REAL300004041948	0	27	-2.0	-89.35	299.63	5.08	-84.27
CC1=C(C(=O)NCC2=NC=C(C(=O)[O-])S2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004042250	0	35	-2.0	-96.05	333.74	2.16	-93.89
CC1=C(CCC(=O)NCC(C)(C)CC(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300004042765	0	53	-2.0	-95.43	410.83	6.19	-89.24
CC1=C(CCC(=O)NCC(C)(C)CC(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300004042765	1	53	-2.0	-95.43	410.83	6.19	-89.24
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300004043111	0	43	-2.0	-95.45	352.99	4.01	-91.44
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)(C)CC(=O)[O-]	REAL300004043421	0	43	-2.0	-96.53	353.06	4.23	-92.30
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(C)(C)CC(=O)[O-])C=C1	REAL300004043467	1	45	-2.0	-101.79	375.05	9.14	-92.65
CC(C)(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)CC(=O)[O-]	REAL300004043649	1	47	-2.0	-93.99	392.15	6.21	-87.78
CC(C)(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)CC(=O)[O-]	REAL300004043650	1	47	-2.0	-96.99	392.32	6.21	-90.78
CC1=CC(C(=O)NCC(C)(C)CC(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300004043663	0	43	-2.0	-79.31	373.57	4.39	-74.92
CC(C)(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)CC(=O)[O-]	REAL300004043894	0	44	-2.0	-93.60	384.07	5.22	-88.38
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)(C)CC(=O)[O-])O1	REAL300004043913	1	46	-2.0	-87.71	379.49	2.44	-85.27
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)(C)CC(=O)[O-])O1	REAL300004043914	1	37	-2.0	-87.23	324.04	0.03	-87.20
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)(C)CC(=O)[O-])=C1	REAL300004044151	0	47	-2.0	-101.27	387.99	2.22	-99.05
CC(C)(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)CC(=O)[O-]	REAL300004044195	0	40	-2.0	-95.09	331.59	3.33	-91.76
CC(C)(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)CC(=O)[O-]	REAL300004044202	0	44	-2.0	-95.40	384.26	5.22	-90.18
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C)(C)CC(=O)[O-])=CS1	REAL300004044551	1	44	-2.0	-96.13	365.78	4.43	-91.70
CC(C)(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)CC(=O)[O-]	REAL300004044766	0	40	-2.0	-89.48	338.00	3.40	-86.08
CC1=C(CC(=O)NCC(C)(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004044773	1	46	-2.0	-101.48	376.64	4.63	-96.85
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)(C)CC(=O)[O-]	REAL300004044778	0	46	-2.0	-96.98	374.56	5.02	-91.96
CC1=C(C(=O)NCC(C)(C)CC(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300004044841	1	46	-2.0	-92.79	355.68	4.83	-87.96
CC(C)(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)CC(=O)[O-]	REAL300004044939	1	47	-2.0	-90.43	392.31	6.21	-84.22
CC(C)(CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)CC(=O)[O-]	REAL300004045491	0	46	-2.0	-99.90	377.48	5.59	-94.31
CC(C)(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC(=O)[O-]	REAL300004045660	1	36	-2.0	-95.49	307.74	6.81	-88.68
CC(C)(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)CC(=O)[O-]	REAL300004045749	0	39	-2.0	-91.24	332.64	2.36	-88.88
CC(C)(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)CC(=O)[O-]	REAL300004045811	1	46	-2.0	-86.84	387.35	4.43	-82.41
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(C)(C)CC(=O)[O-])=N2)=C1	REAL300004045826	0	49	-2.0	-108.19	392.24	7.40	-100.79
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(C)(C)CC(=O)[O-])=N2)C=C1	REAL300004045827	0	49	-2.0	-106.88	392.17	7.40	-99.48
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(C)(C)CC(=O)[O-])=N1	REAL300004045895	0	43	-2.0	-103.83	359.71	6.50	-97.33
CC(C)(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])CC(=O)[O-]	REAL300004045899	0	40	-2.0	-104.72	338.39	5.55	-99.17
CC(C)(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)CC(=O)[O-]	REAL300004045921	1	38	-2.0	-106.57	311.55	6.42	-100.15
CC(C)(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)CC(=O)[O-]	REAL300004045939	0	40	-2.0	-81.87	353.87	3.65	-78.22
CC(C)(CNC(=O)C1=CN=C(I)C([O-])=C1)CC(=O)[O-]	REAL300004045979	0	32	-2.0	-84.91	293.11	3.39	-81.52
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C)(C)CC(=O)[O-])=N2)=C1	REAL300004046029	0	43	-2.0	-110.97	356.73	6.14	-104.83
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C)(C)CC(=O)[O-])=N1	REAL300004046030	0	46	-2.0	-109.30	373.24	7.22	-102.08
CC1=C(CC(=O)NCC(C)(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004046075	1	46	-2.0	-100.06	375.91	4.58	-95.48
CC(C)(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC(=O)[O-]	REAL300004046109	0	33	-2.0	-85.02	293.41	4.82	-80.20
CCOC1=CC(C(=O)NCC(C)(C)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300004046195	1	40	-2.0	-89.20	338.25	5.79	-83.41
CC(C)(CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])CC(=O)[O-]	REAL300004046199	0	43	-2.0	-111.69	361.88	6.92	-104.77
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C)(C)CC(=O)[O-])=N2)C=C1	REAL300004046206	0	44	-2.0	-106.98	361.46	4.79	-102.19
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C)(C)CC(=O)[O-])=CO1	REAL300004046223	1	37	-2.0	-90.20	323.18	0.00	-90.20
CC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(=O)[O-]	REAL300004046344	0	36	-2.0	-81.45	306.95	2.90	-78.55
CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(=O)[O-]	REAL300004046344	1	36	-2.0	-81.41	307.01	2.92	-78.49
CC(C)(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)CC(=O)[O-]	REAL300004046609	1	41	-2.0	-91.53	326.21	4.30	-87.23
CC(C)(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC(=O)[O-]	REAL300004046825	0	33	-2.0	-91.99	301.80	6.84	-85.15
CC1=C(C(=O)NCC(C)(C)CC(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004047057	0	41	-2.0	-95.95	335.91	3.91	-92.04
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2F)O1	REAL300004048617	1	38	-2.0	-95.64	365.25	2.73	-92.91
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(F)C=C1F	REAL300004049915	1	34	-2.0	-98.50	318.70	7.02	-91.48
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=C(F)C=C1F	REAL300004049927	1	37	-2.0	-110.65	349.04	9.56	-101.09
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300004049969	0	34	-2.0	-94.64	316.14	5.08	-89.56
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300004049969	1	34	-2.0	-94.60	316.19	5.10	-89.50
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2F)C=N1	REAL300004050025	0	40	-2.0	-102.87	373.94	5.13	-97.74
O=C([O-])CC(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(F)C=C1F	REAL300004050071	1	33	-2.0	-93.84	297.24	4.63	-89.21
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=C(F)C=C1F	REAL300004050175	1	39	-2.0	-126.71	352.96	9.06	-117.65
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=C(F)C=C1F	REAL300004050403	0	34	-2.0	-95.64	334.79	7.48	-88.16
COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2F)NC(=O)[N-]C1=O	REAL300004050416	1	37	-2.0	-95.47	340.69	2.60	-92.87
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300004050487	0	37	-2.0	-92.26	327.33	5.37	-86.89
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300004050487	1	37	-2.0	-92.28	327.39	5.38	-86.90
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(F)C=C1F	REAL300004050516	0	34	-2.0	-95.80	328.49	7.51	-88.29
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2F)=CC(Cl)=C1[O-]	REAL300004050519	1	41	-2.0	-100.83	379.63	8.46	-92.37
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2F)=CO1	REAL300004050540	1	38	-2.0	-91.62	354.17	2.25	-89.37
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1F	REAL300004050663	0	37	-2.0	-89.08	348.15	5.61	-83.47
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1F	REAL300004050663	1	37	-2.0	-89.03	348.22	5.62	-83.41
O=C([O-])CC(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(F)C=C1F	REAL300004050863	0	32	-2.0	-98.68	299.71	5.57	-93.11
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=C(F)C=C2F)C(=O)[N-]1	REAL300004050885	1	39	-2.0	-109.51	353.65	4.09	-105.42
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(F)C=C1F	REAL300004051134	0	34	-2.0	-105.85	343.22	9.43	-96.42
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C(CC(=O)[O-])C1=CC=C(F)C=C1F	REAL300004051213	1	39	-2.0	-114.79	356.63	8.75	-106.04
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C(CC(=O)[O-])C1=CC=C(F)C=C1F	REAL300004051510	1	39	-2.0	-115.78	356.61	8.74	-107.04
O=C([O-])C1=CC=C(CCC(=O)[N-]C2=NC(C3CCC3)=CS2)C=C1	REAL300004053003	1	39	-2.0	-92.83	342.54	8.13	-84.70
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)[N-]C2=NC(C3CCC3)=CS2)C=C1	REAL300004053006	1	41	-2.0	-91.65	375.20	3.04	-88.61
O=C([O-])C1=CC=CC=C1CCC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300004053011	1	39	-2.0	-116.15	333.94	7.87	-108.28
O=C([O-])C1=CC(CC(=O)[N-]C2=NC(C3CCC3)=CS2)=CC=C1	REAL300004053013	1	36	-2.0	-104.37	321.16	7.32	-97.05
O=C([O-])C1CCCC(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300004053014	1	39	-2.0	-102.90	323.06	6.87	-96.03
O=C([O-])[C@H]1CC[C@H](C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300004053019	1	39	-2.0	-92.86	322.23	6.86	-86.00
O=C([O-])C1CCC(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1	REAL300004053020	1	39	-2.0	-93.41	323.61	6.89	-86.52
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC(C3CCC3)=CS2)C=C1	REAL300004053021	1	36	-2.0	-97.03	321.14	7.33	-89.70
O=C([O-])C1=CN(CC(=O)[N-]C2=NC(C3CCC3)=CS2)N=N1	REAL300004053022	1	32	-2.0	-100.06	298.30	3.33	-96.73
O=C(CC1CCC(C(=O)[O-])CC1)[N-]C1=NC(C2CCC2)=CS1	REAL300004053031	1	42	-2.0	-96.29	341.27	7.59	-88.70
O=C([O-])C12CCC(C(=O)[N-]C3=NC(C4CCC4)=CS3)(CC1)C2	REAL300004053032	1	40	-2.0	-97.50	330.28	7.02	-90.48
O=C([O-])C12CCC(C(=O)[N-]C3=NC(C4CCC4)=CS3)(CC1)CC2	REAL300004053033	1	43	-2.0	-92.50	342.03	7.55	-84.95
O=C([O-])C1=CC=C2CCCC(CC(=O)[N-]C3=NC(C4CCC4)=CS3)C2=C1	REAL300004053036	1	46	-2.0	-106.06	375.39	9.55	-96.51
O=C([O-])C1=CN(CC(=O)[N-]C2=NC(C3CCC3)=CS2)N=C1	REAL300004053039	1	33	-2.0	-98.82	303.23	4.80	-94.02
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC2(CCC2)C1	REAL300004053041	1	40	-2.0	-118.34	328.30	7.37	-110.97
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]C2=NC(C3CCC3)=CS2)C1	REAL300004053043	1	42	-2.0	-107.26	364.78	7.24	-100.02
O=C([O-])CSCCC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300004053044	1	33	-2.0	-90.99	306.32	5.84	-85.15
C[C@@H]1C[C@H](C(=O)[N-]C2=NC(C3CCC3)=CS2)O[C@H]1C(=O)[O-]	REAL300004053047	1	37	-2.0	-104.20	318.84	6.07	-98.13
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC(C2CCC2)=CS1	REAL300004053052	1	36	-2.0	-111.59	329.26	2.29	-109.30
O=C([O-])C1=NN(CC(=O)[N-]C2=NC(C3CCC3)=CS2)C=C1	REAL300004053057	1	33	-2.0	-112.64	302.56	4.83	-107.81
O=C([O-])C1=NN(CCCC(=O)[N-]C2=NC(C3CCC3)=CS2)C=C1	REAL300004053058	1	39	-2.0	-110.70	346.15	6.18	-104.52
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC(C3CCC3)=CS2)O1	REAL300004053059	1	40	-2.0	-102.19	340.32	6.52	-95.67
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N-]C1=NC(C2CCC2)=CS1	REAL300004053060	1	40	-2.0	-94.93	339.19	5.47	-89.46
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300004053062	1	41	-2.0	-125.34	327.83	7.68	-117.66
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300004053063	1	39	-2.0	-116.75	310.84	7.28	-109.47
O=C(CN1CCCC(C(=O)[O-])C1)[N-]C1=NC(C2CCC2)=CS1	REAL300004053064	1	41	-2.0	-93.27	336.36	4.70	-88.57
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC1C1=CC=CC=C1	REAL300004053065	1	40	-2.0	-117.29	339.90	8.72	-108.57
O=C([O-])C1=CN(CC(=O)[N-]C2=NC(C3CCC3)=CS2)C2=CC=CC=C12	REAL300004053067	1	40	-2.0	-107.03	354.49	8.79	-98.24
O=C([O-])C1CC12CC(C(=O)[N-]C1=NC(C3CCC3)=CS1)C2	REAL300004053068	1	37	-2.0	-100.73	318.87	7.01	-93.72
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300004053069	1	39	-2.0	-123.20	329.83	7.61	-115.59
O=C([O-])C1CC2(C1)CC(C(=O)[N-]C1=NC(C3CCC3)=CS1)C2	REAL300004053075	1	40	-2.0	-93.52	337.13	7.52	-86.00
O=C([O-])C1C(F)(F)C12CC(C(=O)[N-]C1=NC(C3CCC3)=CS1)C2	REAL300004053080	1	37	-2.0	-93.73	330.55	7.15	-86.58
O=C([O-])C1=NC=CC=C1CCC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300004053087	1	38	-2.0	-117.48	330.03	6.11	-111.37
O=C([O-])C12CC(C(=O)[N-]C3=NC(C4CCC4)=CS3)(C1)OC2	REAL300004053088	1	35	-2.0	-95.82	306.88	4.19	-91.63
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCC3)=CS2)CC2(CCC2)C1	REAL300004053090	1	40	-2.0	-118.34	328.30	7.37	-110.97
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300004053098	1	38	-2.0	-130.48	316.73	4.84	-125.64
CC(C)[C@]1(C(=O)[N-]C2=NC(C3CCC3)=CS2)C[C@H]1C(=O)[O-]	REAL300004053100	1	39	-2.0	-124.67	326.02	6.92	-117.75
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC(C2CCC2)=CS1	REAL300004053101	1	39	-2.0	-97.77	337.85	7.80	-89.97
O=C([O-])C1=CSC(CC(=O)[N-]C2=NC(C3CCC3)=CS2)=C1	REAL300004053102	1	33	-2.0	-100.50	312.70	6.47	-94.03
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC(C3CCC3)=CS2)C=C1F	REAL300004053103	1	36	-2.0	-97.78	325.69	7.35	-90.43
O=C([O-])C12CCC(C(=O)[N-]C3=NC(C4CCC4)=CS3)(CC1)CC2	REAL300004053105	1	43	-2.0	-92.50	342.03	7.55	-84.95
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300004053205	1	36	-2.0	-120.67	350.41	8.75	-111.92
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300004053206	1	36	-2.0	-120.67	350.41	8.75	-111.92
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)C3)=N1	REAL300004053209	1	40	-2.0	-102.54	379.88	9.73	-92.81
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300004053210	1	39	-2.0	-121.43	363.85	9.17	-112.26
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300004053211	1	38	-2.0	-120.57	358.33	9.31	-111.26
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)C2(C(=O)[O-])CCCC2)=N1	REAL300004053216	1	42	-2.0	-120.82	372.18	9.53	-111.29
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)COCC(=O)[O-])=N1	REAL300004053217	1	36	-2.0	-111.82	355.32	7.97	-103.85
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N1	REAL300004053218	1	44	-2.0	-109.00	396.42	9.71	-99.29
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300004053230	1	40	-2.0	-121.26	365.71	9.28	-111.98
COC(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1	REAL300004053232	1	36	-2.0	-122.63	353.63	7.83	-114.80
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])=N1	REAL300004053233	1	39	-2.0	-130.57	369.94	9.59	-120.98
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC2C)=N1	REAL300004053235	1	39	-2.0	-121.12	366.14	9.56	-111.56
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(Cl)C=C2F)S1	REAL300004053236	1	40	-2.0	-123.64	378.75	9.74	-113.90
CC1=C(CC2=CC=C(Cl)C=C2F)SC([N-]C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)=N1	REAL300004053237	1	42	-2.0	-127.67	383.07	9.70	-117.97
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300004053244	1	36	-2.0	-121.60	335.22	8.16	-113.44
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300004053245	1	36	-2.0	-121.60	335.22	8.16	-113.44
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300004053251	1	45	-2.0	-100.82	385.19	9.73	-91.09
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C2CCC(C(=O)[O-])CC2)=N1	REAL300004053252	1	45	-2.0	-100.98	385.17	9.73	-91.25
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)=N1	REAL300004053253	1	38	-2.0	-108.78	359.87	6.16	-102.62
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300004053255	1	42	-2.0	-109.76	365.76	9.04	-100.72
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)C3)=N1	REAL300004053258	1	40	-2.0	-103.46	364.60	9.14	-94.32
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300004053259	1	39	-2.0	-122.72	348.67	8.58	-114.14
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300004053260	1	38	-2.0	-122.53	342.96	8.76	-113.77
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CCCC2)=N1	REAL300004053265	1	42	-2.0	-125.12	366.17	9.19	-115.93
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300004053268	1	39	-2.0	-107.42	364.80	7.64	-99.78
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)COCC(=O)[O-])=N1	REAL300004053271	1	36	-2.0	-113.61	336.99	7.29	-106.32
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)=N1	REAL300004053273	1	43	-2.0	-113.90	383.57	9.04	-104.86
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N1	REAL300004053274	1	44	-2.0	-111.12	381.17	9.13	-101.99
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=N1	REAL300004053275	1	42	-2.0	-109.76	365.76	9.04	-100.72
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)=N1	REAL300004053277	1	39	-2.0	-122.01	364.13	7.66	-114.35
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C2CC3(CC3C(=O)[O-])C2)=N1	REAL300004053286	1	43	-2.0	-107.30	380.44	9.85	-97.45
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)=N1	REAL300004053287	1	39	-2.0	-112.32	350.18	8.50	-103.82
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)=N1	REAL300004053288	1	45	-2.0	-135.60	391.17	10.72	-124.88
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C2CC(C)(C(=O)[O-])C2)=N1	REAL300004053289	1	42	-2.0	-107.21	370.33	9.01	-98.20
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300004053294	1	40	-2.0	-125.32	359.70	8.95	-116.37
COC(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1	REAL300004053298	1	36	-2.0	-123.17	338.44	7.25	-115.92
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])=N1	REAL300004053299	1	39	-2.0	-132.98	351.65	8.90	-124.08
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)=N1	REAL300004053300	1	41	-2.0	-103.94	371.61	7.10	-96.84
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC2C)=N1	REAL300004053302	1	39	-2.0	-121.75	347.74	8.88	-112.87
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=C(F)C=CC=C2F)S1	REAL300004053304	1	40	-2.0	-124.29	360.36	9.06	-115.23
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])=N1	REAL300004053306	1	45	-2.0	-136.21	388.65	9.55	-126.66
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)=N1	REAL300004053307	1	42	-2.0	-130.47	367.87	9.12	-121.35
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300004053314	1	36	-2.0	-120.89	340.08	8.30	-112.59
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC2)=N1	REAL300004053315	1	36	-2.0	-120.89	340.08	8.30	-112.59
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)=N1	REAL300004053323	1	38	-2.0	-106.80	367.94	6.39	-100.41
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)C3)=N1	REAL300004053328	1	40	-2.0	-102.78	369.57	9.28	-93.50
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)C2(C(=O)[O-])CCC2)=N1	REAL300004053329	1	39	-2.0	-121.63	353.53	8.72	-112.91
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)C(C)(C)C(=O)[O-])=N1	REAL300004053330	1	38	-2.0	-120.46	347.88	8.89	-111.57
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)C2(C(=O)[O-])CCCC2)=N1	REAL300004053335	1	42	-2.0	-121.07	361.84	9.08	-111.99
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300004053338	1	39	-2.0	-105.64	372.87	7.87	-97.77
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)COCC(=O)[O-])=N1	REAL300004053341	1	36	-2.0	-112.04	345.00	7.52	-104.52
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)=N1	REAL300004053343	1	43	-2.0	-112.54	384.49	9.02	-103.52
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N1	REAL300004053344	1	44	-2.0	-109.20	386.09	9.26	-99.94
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)=N1	REAL300004053347	1	39	-2.0	-119.83	372.20	7.89	-111.94
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC=CC2)=N1	REAL300004053364	1	40	-2.0	-121.45	355.36	8.83	-112.62
COC(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1	REAL300004053368	1	36	-2.0	-122.94	343.37	7.38	-115.56
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])=N1	REAL300004053369	1	39	-2.0	-130.78	359.62	9.14	-121.64
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)=N1	REAL300004053370	1	41	-2.0	-103.05	376.54	7.24	-95.81
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)C2(C(=O)[O-])CC2C)=N1	REAL300004053372	1	39	-2.0	-121.33	355.82	9.10	-112.23
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C)=C(CC2=CC=C(F)C=C2F)S1	REAL300004053374	1	40	-2.0	-123.71	368.43	9.29	-114.42
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])=N1	REAL300004053376	1	45	-2.0	-133.08	396.69	9.76	-123.32
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)=N1	REAL300004053377	1	42	-2.0	-127.68	372.72	9.26	-118.42
CC1=CSC([N-]C(=O)C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=N1	REAL300004053704	1	38	-2.0	-115.00	349.75	3.07	-111.93
CC1=CSC([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300004053708	1	34	-2.0	-90.38	330.58	1.09	-89.29
CC1=CSC([N-]C(=O)C2CCN(S(=O)(=O)C3=CC=C(C(=O)[O-])O3)CC2)=N1	REAL300004053714	1	41	-2.0	-92.44	375.37	2.95	-89.49
CC1=CSC([N-]C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300004053721	1	39	-2.0	-104.33	330.76	7.59	-96.74
CC1=CSC([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)=N1	REAL300004053722	1	35	-2.0	-105.63	319.79	5.28	-100.35
CC1=CSC([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)=N1	REAL300004053723	1	33	-2.0	-117.80	297.91	6.58	-111.22
CC1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300004053725	1	33	-2.0	-105.68	309.87	6.83	-98.85
CC1=CSC([N-]C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)=N1	REAL300004053726	1	30	-2.0	-92.19	285.93	5.21	-86.98
COC1=CN=C([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300004053823	1	35	-2.0	-91.94	343.38	0.49	-91.45
COC1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004053832	1	37	-2.0	-93.20	310.21	4.98	-88.22
COC1=CN=C([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)S1	REAL300004053837	1	36	-2.0	-109.17	332.94	4.67	-104.50
COC1=CN=C([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)S1	REAL300004053840	1	30	-2.0	-114.32	297.42	-0.22	-114.54
COC1=CN=C([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)S1	REAL300004053842	1	34	-2.0	-105.51	308.49	4.00	-101.51
COC1=CN=C([N-]C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])S1	REAL300004053844	1	35	-2.0	-124.30	296.18	5.12	-119.18
COC1=CN=C([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)S1	REAL300004053845	1	34	-2.0	-118.04	310.71	5.97	-112.07
COC1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)S1	REAL300004053847	1	34	-2.0	-110.04	322.66	6.22	-103.82
COC1=CN=C([N-]C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)S1	REAL300004053851	1	31	-2.0	-95.35	298.72	4.61	-90.74
COC1=CN=C([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2C)S1	REAL300004053863	1	33	-2.0	-100.07	306.02	5.23	-94.84
COC1=CN=C([N-]C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300004053864	1	30	-2.0	-100.08	293.86	4.78	-95.30
COC1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004053866	1	37	-2.0	-93.20	310.21	4.98	-88.22
COCC1=CN=C([N-]C(=O)CCC2=CC=C(C(=O)[O-])C=C2)S1	REAL300004054436	1	36	-2.0	-95.61	333.75	5.87	-89.74
COCC1=CN=C([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300004054438	1	38	-2.0	-94.31	366.41	0.79	-93.52
COCC1=CN=C([N-]C(=O)CCC2=CC=CC=C2C(=O)[O-])S1	REAL300004054443	1	36	-2.0	-120.31	325.14	5.61	-114.70
COCC1=CN=C([N-]C(=O)CC2=CC=CC(C(=O)[O-])=C2)S1	REAL300004054445	1	33	-2.0	-108.52	312.35	5.06	-103.46
COCC1=CN=C([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2)S1	REAL300004054447	1	33	-2.0	-101.32	312.35	5.07	-96.25
COCC1=CN=C([N-]C(=O)CC2CCC(C(=O)[O-])CC2)S1	REAL300004054453	1	39	-2.0	-103.09	324.14	5.06	-98.03
COCC1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)S1	REAL300004054454	1	37	-2.0	-102.87	321.49	4.76	-98.11
COCC1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004054455	1	40	-2.0	-95.88	333.25	5.28	-90.60
COCC1=CN=C([N-]C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)S1	REAL300004054458	1	43	-2.0	-108.82	366.58	7.28	-101.54
COCC1=CN=C([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300004054460	1	37	-2.0	-120.50	319.50	5.10	-115.40
COCC1=CN=C([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)S1	REAL300004054462	1	39	-2.0	-111.43	355.98	4.97	-106.46
COCC1=CN=C([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)S1	REAL300004054463	1	34	-2.0	-109.72	310.05	3.84	-105.88
COCC1=CN=C([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)S1	REAL300004054468	1	33	-2.0	-116.58	320.45	0.08	-116.50
COCC1=CN=C([N-]C(=O)CCCN2C=CC(C(=O)[O-])=N2)S1	REAL300004054472	1	36	-2.0	-115.95	337.36	3.93	-112.02
COCC1=CN=C([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)S1	REAL300004054473	1	37	-2.0	-107.80	331.52	4.29	-103.51
COCC1=CN=C([N-]C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)S1	REAL300004054474	1	37	-2.0	-99.20	330.40	3.19	-96.01
COCC1=CN=C([N-]C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])S1	REAL300004054475	1	38	-2.0	-129.05	319.22	5.41	-123.64
COCC1=CN=C([N-]C(=O)CN2CCCC(C(=O)[O-])C2)S1	REAL300004054476	1	38	-2.0	-96.47	326.86	2.42	-94.05
COCC1=CN=C([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)S1	REAL300004054477	1	37	-2.0	-121.84	333.74	6.26	-115.58
COCC1=CN=C([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)S1	REAL300004054479	1	37	-2.0	-112.31	345.70	6.52	-105.79
COCC1=CN=C([N-]C(=O)C2CC3(CC(C(=O)[O-])C3)C2)S1	REAL300004054484	1	37	-2.0	-96.73	328.64	5.25	-91.48
COCC1=CN=C([N-]C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)S1	REAL300004054487	1	34	-2.0	-98.08	321.75	4.90	-93.18
COCC1=CN=C([N-]C(=O)CCC2=CC=CN=C2C(=O)[O-])S1	REAL300004054493	1	35	-2.0	-122.49	321.28	3.85	-118.64
COCC1=CN=C([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300004054495	1	37	-2.0	-120.50	319.50	5.10	-115.40
COCC1=CN=C([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])S1	REAL300004054501	1	35	-2.0	-135.29	308.09	2.59	-132.70
COCC1=CN=C([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2C)S1	REAL300004054503	1	36	-2.0	-102.05	329.05	5.53	-96.52
COCC1=CN=C([N-]C(=O)CC2=CC(C(=O)[O-])=CS2)S1	REAL300004054504	1	30	-2.0	-104.82	303.90	4.20	-100.62
COCC1=CN=C([N-]C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)S1	REAL300004054505	1	33	-2.0	-101.96	316.89	5.09	-96.87
COCC1=CN=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004054507	1	40	-2.0	-95.88	333.25	5.28	-90.60
O=C(CCC1=CC=C(C(=O)[O-])C=C1)[N-]C1=NC2=C(CSCC2)S1	REAL300004054515	1	37	-2.0	-91.81	340.53	7.90	-83.91
O=C(CCC1=CC=CC=C1C(=O)[O-])[N-]C1=NC2=C(CSCC2)S1	REAL300004054522	1	37	-2.0	-115.27	331.58	7.63	-107.64
O=C(CC1=CC=CC(C(=O)[O-])=C1)[N-]C1=NC2=C(CSCC2)S1	REAL300004054524	1	34	-2.0	-103.14	319.14	7.09	-96.05
O=C([O-])C1CCCC(C(=O)[N-]C2=NC3=C(CSCC3)S2)C1	REAL300004054525	1	37	-2.0	-104.31	314.53	6.47	-97.84
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054528	1	36	-2.0	-93.43	303.62	5.84	-87.59
O=C([O-])[C@H]1CC[C@H](C(=O)[N-]C2=NC3=C(CSCC3)S2)CC1	REAL300004054531	1	37	-2.0	-92.43	321.59	6.66	-85.77
O=C([O-])C1CCC(C(=O)[N-]C2=NC3=C(CSCC3)S2)CC1	REAL300004054532	1	37	-2.0	-92.37	321.58	6.66	-85.71
O=C(CC1=CC=C(C(=O)[O-])C=C1)[N-]C1=NC2=C(CSCC2)S1	REAL300004054533	1	34	-2.0	-96.26	319.14	7.10	-89.16
O=C(CN1C=C(C(=O)[O-])N=N1)[N-]C1=NC2=C(CSCC2)S1	REAL300004054534	1	30	-2.0	-99.44	296.28	3.09	-96.35
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC3=C(CSCC3)S2)C1	REAL300004054538	1	34	-2.0	-102.22	302.19	6.00	-96.22
O=C([O-])C12CC(C(=O)[N-]C3=NC4=C(CSCC4)S3)(C1)C2	REAL300004054544	1	32	-2.0	-94.42	297.90	5.98	-88.44
O=C(CC1CCC(C(=O)[O-])CC1)[N-]C1=NC2=C(CSCC2)S1	REAL300004054545	1	40	-2.0	-98.34	332.11	7.18	-91.16
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(CSCC4)S3)(CC1)C2	REAL300004054546	1	38	-2.0	-96.62	328.28	6.79	-89.83
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(CSCC4)S3)(CC1)CC2	REAL300004054547	1	41	-2.0	-91.37	340.02	7.30	-84.07
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054548	1	36	-2.0	-93.43	303.62	5.84	-87.59
CC(CC(=O)[O-])CC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054549	1	33	-2.0	-96.96	293.87	5.49	-91.47
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CSCC3)S2)CCCC1	REAL300004054553	1	34	-2.0	-115.75	299.46	6.02	-109.73
O=C(CC1CCCC2=CC=C(C(=O)[O-])C=C21)[N-]C1=NC2=C(CSCC2)S1	REAL300004054554	1	44	-2.0	-104.81	373.36	9.31	-95.50
O=C(CN1C=C(C(=O)[O-])C=N1)[N-]C1=NC2=C(CSCC2)S1	REAL300004054557	1	31	-2.0	-98.03	301.21	4.57	-93.46
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CSCC3)S2)CC2(CCC2)C1	REAL300004054559	1	38	-2.0	-116.63	326.29	7.14	-109.49
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]C2=NC3=C(CSCC3)S2)C1	REAL300004054561	1	40	-2.0	-105.97	362.76	7.01	-98.96
O=C([O-])CSCCC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054562	1	31	-2.0	-90.05	304.30	5.61	-84.44
C[C@@H]1C[C@H](C(=O)[N-]C2=NC3=C(CSCC3)S2)O[C@H]1C(=O)[O-]	REAL300004054565	1	35	-2.0	-103.27	316.84	5.83	-97.44
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054566	1	36	-2.0	-100.38	314.43	5.96	-94.42
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC2=C(CSCC2)S1	REAL300004054571	1	34	-2.0	-110.43	327.23	2.05	-108.38
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC3=C(CSCC3)S2)C1	REAL300004054573	1	34	-2.0	-102.22	302.19	6.00	-96.22
O=C(CN1C=CC(C(=O)[O-])=N1)[N-]C1=NC2=C(CSCC2)S1	REAL300004054577	1	31	-2.0	-112.11	300.54	4.59	-107.52
O=C(CCCN1C=CC(C(=O)[O-])=N1)[N-]C1=NC2=C(CSCC2)S1	REAL300004054578	1	37	-2.0	-110.09	344.15	5.96	-104.13
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC3=C(CSCC3)S2)O1	REAL300004054579	1	38	-2.0	-101.36	338.30	6.27	-95.09
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N-]C1=NC2=C(CSCC2)S1	REAL300004054580	1	38	-2.0	-93.74	336.63	5.24	-88.50
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054582	1	39	-2.0	-124.07	325.98	7.46	-116.61
CC(C)C(C(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054583	1	33	-2.0	-114.26	295.50	5.43	-108.83
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054584	1	37	-2.0	-115.18	308.87	7.06	-108.12
O=C(CN1CCCC(C(=O)[O-])C1)[N-]C1=NC2=C(CSCC2)S1	REAL300004054585	1	39	-2.0	-92.28	334.35	4.48	-87.80
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CSCC3)S2)CC1C1=CC=CC=C1	REAL300004054586	1	38	-2.0	-115.37	337.88	8.49	-106.88
O=C([O-])C1=CN(CC(=O)[N-]C2=NC3=C(CSCC3)S2)C2=CC=CC=C12	REAL300004054588	1	38	-2.0	-106.40	352.48	8.55	-97.85
O=C([O-])C1CC12CC(C(=O)[N-]C1=NC3=C(CSCC3)S1)C2	REAL300004054589	1	35	-2.0	-99.24	316.85	6.78	-92.46
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054590	1	37	-2.0	-122.89	326.22	7.13	-115.76
CC1(C(=O)[O-])CC(C(=O)[N-]C2=NC3=C(CSCC3)S2)C1	REAL300004054592	1	34	-2.0	-98.37	303.59	5.84	-92.53
CCCC(C(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054596	1	33	-2.0	-112.26	295.73	5.89	-106.37
O=C([O-])C1CC2(C1)CC(C(=O)[N-]C1=NC3=C(CSCC3)S1)C2	REAL300004054599	1	38	-2.0	-92.07	335.42	7.29	-84.78
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CSCC3)S2)CC=CC1	REAL300004054602	1	32	-2.0	-115.98	291.62	5.93	-110.05
O=C([O-])CC1(CC(=O)[N-]C2=NC3=C(CSCC3)S2)CC1	REAL300004054605	1	34	-2.0	-104.22	307.05	6.13	-98.09
O=C([O-])C1C(F)(F)C12CC(C(=O)[N-]C1=NC3=C(CSCC3)S1)C2	REAL300004054606	1	35	-2.0	-108.32	324.05	7.51	-100.81
O=C(CCC1=CC=CN=C1C(=O)[O-])[N-]C1=NC2=C(CSCC2)S1	REAL300004054613	1	36	-2.0	-116.48	328.06	5.88	-110.60
O=C([O-])C12CC(C(=O)[N-]C3=NC4=C(CSCC4)S3)(C1)OC2	REAL300004054614	1	33	-2.0	-94.72	304.88	3.94	-90.78
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CSCC3)S2)CC2(CCC2)C1	REAL300004054616	1	38	-2.0	-116.63	326.29	7.14	-109.49
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054623	1	32	-2.0	-115.81	296.76	5.98	-109.83
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054625	1	36	-2.0	-129.28	314.78	4.60	-124.68
CC(C)[C@]1(C(=O)[N-]C2=NC3=C(CSCC3)S2)C[C@H]1C(=O)[O-]	REAL300004054627	1	37	-2.0	-122.75	323.89	6.70	-116.05
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054628	1	37	-2.0	-97.02	335.85	7.56	-89.46
O=C(CC1=CC(C(=O)[O-])=CS1)[N-]C1=NC2=C(CSCC2)S1	REAL300004054629	1	31	-2.0	-99.51	310.68	6.24	-93.27
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC3=C(CSCC3)S2)C=C1F	REAL300004054630	1	34	-2.0	-97.06	323.68	7.11	-89.95
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[N-]C1=NC2=C(CSCC2)S1	REAL300004054631	1	34	-2.0	-119.12	301.16	5.95	-113.17
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(CSCC4)S3)(CC1)CC2	REAL300004054633	1	41	-2.0	-91.37	340.02	7.30	-84.07
O=C([O-])C1=CC=C(CCC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C=C1	REAL300004054932	1	43	-2.0	-92.06	369.71	6.94	-85.12
O=C([O-])C1=CC=CC=C1CCC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054939	1	43	-2.0	-115.10	361.11	6.67	-108.43
O=C([O-])C1=CC(CC(=O)[N-]C2=NC(C3CCOCC3)=CS2)=CC=C1	REAL300004054941	1	40	-2.0	-103.72	348.33	6.12	-97.60
O=C([O-])C1CCCC(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300004054942	1	43	-2.0	-102.16	350.24	5.66	-96.50
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054945	1	42	-2.0	-93.83	332.81	4.87	-88.96
O=C([O-])[C@H]1CC[C@H](C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300004054948	1	43	-2.0	-92.13	349.47	5.66	-86.47
O=C([O-])C1CCC(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300004054949	1	43	-2.0	-92.72	350.77	5.69	-87.03
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C=C1	REAL300004054950	1	40	-2.0	-96.46	348.32	6.13	-90.33
O=C(CN1C=C(C(=O)[O-])N=N1)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054951	1	36	-2.0	-99.51	325.47	2.12	-97.39
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300004054954	1	40	-2.0	-101.30	331.05	5.03	-96.27
O=C([O-])C12CC(C(=O)[N-]C3=NC(C4CCOCC4)=CS3)(C1)C2	REAL300004054959	1	38	-2.0	-94.71	327.10	5.02	-89.69
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCC1	REAL300004054960	1	37	-2.0	-113.56	310.51	4.61	-108.95
O=C(CC1CCC(C(=O)[O-])CC1)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054961	1	46	-2.0	-99.35	360.11	6.13	-93.22
O=C([O-])C12CCC(C(=O)[N-]C3=NC(C4CCOCC4)=CS3)(CC1)C2	REAL300004054962	1	44	-2.0	-96.83	357.46	5.83	-91.00
O=C([O-])C12CCC(C(=O)[N-]C3=NC(C4CCOCC4)=CS3)(CC1)CC2	REAL300004054963	1	47	-2.0	-91.71	369.21	6.34	-85.37
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054964	1	42	-2.0	-93.83	332.81	4.87	-88.96
CC(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054965	1	39	-2.0	-97.24	323.06	4.52	-92.72
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CCCC1	REAL300004054969	1	40	-2.0	-116.05	326.99	5.26	-110.79
O=C(CN1C=C(C(=O)[O-])C=N1)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054972	1	37	-2.0	-98.19	330.39	3.60	-94.59
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC2(CCC2)C1	REAL300004054974	1	44	-2.0	-116.75	355.47	6.16	-110.59
O=C([O-])CSCCC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054976	1	37	-2.0	-90.20	333.49	4.64	-85.56
O=C([O-])COCC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054978	1	34	-2.0	-102.95	302.59	3.21	-99.74
C[C@@H]1C[C@H](C(=O)[N-]C2=NC(C3CCOCC3)=CS2)O[C@H]1C(=O)[O-]	REAL300004054980	1	41	-2.0	-103.50	346.01	4.87	-98.63
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054981	1	42	-2.0	-100.56	343.62	4.99	-95.57
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054986	1	40	-2.0	-110.89	356.43	1.09	-109.80
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300004054988	1	40	-2.0	-101.30	331.05	5.03	-96.27
O=C(CN1C=CC(C(=O)[O-])=N1)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054992	1	37	-2.0	-112.02	329.73	3.62	-108.40
O=C(CCCN1C=CC(C(=O)[O-])=N1)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054993	1	43	-2.0	-110.07	373.33	4.99	-105.08
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054994	1	37	-2.0	-121.59	311.85	4.30	-117.29
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC(C3CCOCC3)=CS2)O1	REAL300004054995	1	44	-2.0	-101.48	367.51	5.31	-96.17
O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054996	1	44	-2.0	-94.12	366.37	4.26	-89.86
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054997	1	37	-2.0	-121.59	311.85	4.30	-117.29
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004054999	1	45	-2.0	-123.80	355.18	6.45	-117.35
CC(C)C(C(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004055000	1	39	-2.0	-112.47	319.53	4.51	-107.96
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004055001	1	43	-2.0	-115.93	338.01	6.08	-109.85
O=C(CN1CCCC(C(=O)[O-])C1)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004055002	1	45	-2.0	-92.49	363.54	3.50	-88.99
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1C1=CC=CC=C1	REAL300004055003	1	44	-2.0	-118.96	369.71	7.33	-111.63
O=C([O-])C1=CN(CC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C2=CC=CC=C12	REAL300004055005	1	44	-2.0	-106.36	381.67	7.59	-98.77
O=C([O-])C1CC12CC(C(=O)[N-]C1=NC(C3CCOCC3)=CS1)C2	REAL300004055006	1	41	-2.0	-99.72	346.03	5.81	-93.91
O=C([O-])[C@H]1C[C@@H](C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300004055007	1	37	-2.0	-102.01	315.74	4.46	-97.55
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004055008	1	43	-2.0	-122.06	357.02	6.41	-115.65
CC1(C(=O)[O-])CC(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C1	REAL300004055010	1	40	-2.0	-98.60	332.77	4.87	-93.73
CCCC(C(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004055014	1	39	-2.0	-115.27	330.11	4.66	-110.61
O=C([O-])C1CC2(C1)CC(C(=O)[N-]C1=NC(C3CCOCC3)=CS1)C2	REAL300004055017	1	44	-2.0	-92.73	364.31	6.31	-86.42
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC=CC1	REAL300004055020	1	38	-2.0	-116.03	322.16	4.81	-111.22
O=C([O-])CC1(CC(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC1	REAL300004055023	1	40	-2.0	-104.79	336.24	5.16	-99.63
O=C([O-])C1C(F)(F)C12CC(C(=O)[N-]C1=NC(C3CCOCC3)=CS1)C2	REAL300004055024	1	41	-2.0	-92.94	357.73	5.95	-86.99
COC(C(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004055026	1	34	-2.0	-113.72	300.89	3.06	-110.66
C[C@]1(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C[C@H]1C(=O)[O-]	REAL300004055027	1	37	-2.0	-120.04	315.58	5.51	-114.53
O=C([O-])C1=NC=CC=C1CCC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004055033	1	42	-2.0	-116.40	357.25	4.91	-111.49
O=C([O-])C12CC(C(=O)[N-]C3=NC(C4CCOCC4)=CS3)(C1)OC2	REAL300004055034	1	39	-2.0	-94.82	334.00	2.98	-91.84
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004055036	1	37	-2.0	-113.86	313.34	4.84	-109.02
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)CC2(CCC2)C1	REAL300004055037	1	44	-2.0	-116.75	355.47	6.16	-110.59
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004055044	1	38	-2.0	-115.93	325.95	5.02	-110.91
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004055046	1	42	-2.0	-128.89	343.65	3.80	-125.09
CC(C)[C@]1(C(=O)[N-]C2=NC(C3CCOCC3)=CS2)C[C@H]1C(=O)[O-]	REAL300004055048	1	43	-2.0	-125.02	354.33	5.50	-119.52
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004055049	1	43	-2.0	-97.17	365.02	6.59	-90.58
O=C(CC1=CC(C(=O)[O-])=CS1)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004055050	1	37	-2.0	-99.96	339.86	5.26	-94.70
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC(C3CCOCC3)=CS2)C=C1F	REAL300004055051	1	40	-2.0	-97.24	352.87	6.15	-91.09
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[N-]C1=NC(C2CCOCC2)=CS1	REAL300004055052	1	40	-2.0	-119.32	330.32	5.00	-114.32
O=C([O-])C12CCC(C(=O)[N-]C3=NC(C4CCOCC4)=CS3)(CC1)CC2	REAL300004055054	1	47	-2.0	-91.71	369.21	6.34	-85.37
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])N=N1)=N2	REAL300004055270	1	47	-2.0	-107.34	381.02	6.30	-101.04
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)C3)=N2	REAL300004055278	1	49	-2.0	-101.94	382.47	9.21	-92.73
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)C3)=N2	REAL300004055282	1	55	-2.0	-105.40	413.05	10.00	-95.40
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])C=N1)=N2	REAL300004055290	1	48	-2.0	-105.96	385.95	7.78	-98.18
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)COCC(=O)[O-])=N2	REAL300004055295	1	45	-2.0	-112.47	358.16	7.43	-105.04
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)=N2	REAL300004055297	1	52	-2.0	-112.74	401.64	9.09	-103.65
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N2	REAL300004055298	1	53	-2.0	-109.69	399.18	9.17	-100.52
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)CN1C=CC(C(=O)[O-])=N1)=N2	REAL300004055307	1	48	-2.0	-121.15	385.32	7.81	-113.34
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)=N2	REAL300004055309	1	55	-2.0	-110.27	423.05	9.53	-100.74
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC=CC1)=N2	REAL300004055331	1	49	-2.0	-123.74	377.75	9.00	-114.74
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C(OC)C(=O)[O-])=N2	REAL300004055335	1	45	-2.0	-122.23	356.46	7.28	-114.95
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])=N2	REAL300004055336	1	48	-2.0	-132.73	372.83	9.05	-123.68
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)CO3)=N2	REAL300004055338	1	50	-2.0	-102.45	389.64	7.16	-95.29
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC1C)=N2	REAL300004055341	1	48	-2.0	-119.41	368.25	9.15	-110.26
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C(C)(C)CC)CC2)S1	REAL300004055346	1	49	-2.0	-123.42	381.54	9.20	-114.22
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])=N2	REAL300004055348	1	53	-2.0	-139.35	399.50	7.81	-131.54
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])=N2	REAL300004055349	1	54	-2.0	-135.35	408.88	9.68	-125.67
CC1(C)CCCC2=C1N=C([N-]C(=O)CN1C=C(C(=O)[O-])N=N1)S2	REAL300004055974	1	38	-2.0	-104.13	332.85	4.37	-99.76
CC1(C)CCCC2=C1N=C([N-]C(=O)C13CC(C(=O)[O-])(C1)C3)S2	REAL300004055982	1	40	-2.0	-99.99	334.45	7.27	-92.72
CC1(C)CCCC2=C1N=C([N-]C(=O)C13CCC(C(=O)[O-])(CC1)C3)S2	REAL300004055985	1	46	-2.0	-101.87	364.83	8.08	-93.79
CC1(C)CCCC2=C1N=C([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)S2	REAL300004055986	1	49	-2.0	-96.54	376.59	8.58	-87.96
CC1(C)CCCC2=C1N=C([N-]C(=O)CN1C=C(C(=O)[O-])C=N1)S2	REAL300004055996	1	39	-2.0	-102.94	337.74	5.85	-97.09
CC1(C)CCCC2=C1N=C([N-]C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)S2	REAL300004056000	1	48	-2.0	-111.81	399.31	8.28	-103.53
C[C@@H]1C[C@H](C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)O[C@H]1C(=O)[O-]	REAL300004056004	1	43	-2.0	-108.90	353.32	7.12	-101.78
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300004056005	1	44	-2.0	-105.86	350.99	7.24	-98.62
CC1(C)CCCC2=C1N=C([N-]C(=O)COCC1=C(C(=O)[O-])N=CO1)S2	REAL300004056010	1	42	-2.0	-116.25	363.80	3.34	-112.91
CC1(C)CCCC2=C1N=C([N-]C(=O)CN1C=CC(C(=O)[O-])=N1)S2	REAL300004056016	1	39	-2.0	-117.04	337.10	5.87	-111.17
CC1(C)CCCC2=C1N=C([N-]C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)S2	REAL300004056019	1	46	-2.0	-106.60	374.86	7.55	-99.05
CC1(C)CCCC2=C1N=C([N-]C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)S2	REAL300004056027	1	46	-2.0	-124.71	377.28	9.60	-115.11
CC1(C)CCCC2=C1N=C([N-]C(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)S2	REAL300004056029	1	46	-2.0	-111.17	389.05	9.84	-101.33
CC1(C)CCCC2=C1N=C([N-]C(=O)C1(C(=O)[O-])CC=CC1)S2	REAL300004056044	1	40	-2.0	-123.05	329.54	7.06	-115.99
C[C@]1(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C[C@H]1C(=O)[O-]	REAL300004056050	1	39	-2.0	-129.14	326.89	6.62	-122.52
CC1(C)CCCC2=C1N=C([N-]C(=O)C13CC(C(=O)[O-])(C1)CO3)S2	REAL300004056057	1	41	-2.0	-100.20	341.67	5.18	-95.02
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300004056059	1	39	-2.0	-120.76	320.71	7.10	-113.66
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2(C)C)S1	REAL300004056067	1	40	-2.0	-123.07	333.15	7.28	-115.79
CC1(C)CCCC2=C1N=C([N-]C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])S2	REAL300004056069	1	44	-2.0	-136.50	351.24	6.18	-130.32
CC(C)[C@]1(C(=O)[N-]C2=NC3=C(CCCC3(C)C)S2)C[C@H]1C(=O)[O-]	REAL300004056071	1	45	-2.0	-131.84	365.11	8.09	-123.75
CC1(C)CCCC2=C1N=C([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)S2	REAL300004056077	1	49	-2.0	-96.54	376.59	8.58	-87.96
O=C([O-])C1=CC=C(CCC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C=C1	REAL300004056824	1	35	-2.0	-91.78	336.68	7.53	-84.25
O=C([O-])C1=CC=CC=C1CCC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056831	1	35	-2.0	-113.49	328.10	7.26	-106.23
O=C([O-])C1=CC(CC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)=CC=C1	REAL300004056833	1	32	-2.0	-102.24	315.29	6.71	-95.53
O=C([O-])C1CCCC(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300004056834	1	35	-2.0	-101.16	317.21	6.26	-94.90
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056837	1	34	-2.0	-92.95	299.77	5.47	-87.48
O=C([O-])[C@H]1CC[C@H](C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC1	REAL300004056840	1	35	-2.0	-91.70	316.43	6.25	-85.45
O=C([O-])C1CCC(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC1	REAL300004056841	1	35	-2.0	-92.23	317.74	6.28	-85.95
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C=C1	REAL300004056842	1	32	-2.0	-95.57	315.30	6.72	-88.85
O=C([O-])C1=CN(CC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)N=N1	REAL300004056843	1	28	-2.0	-98.62	292.45	2.71	-95.91
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300004056846	1	32	-2.0	-100.46	298.02	5.62	-94.84
O=C([O-])C12CC(C(=O)[N-]C3=NC(CC(F)(F)F)=CS3)(C1)C2	REAL300004056851	1	30	-2.0	-94.59	294.05	5.61	-88.98
O=C([O-])C1(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCC1	REAL300004056852	1	29	-2.0	-112.21	277.47	5.20	-107.01
O=C([O-])C1CCC(CC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC1	REAL300004056853	1	38	-2.0	-99.35	327.09	6.72	-92.63
O=C([O-])C12CCC(C(=O)[N-]C3=NC(CC(F)(F)F)=CS3)(CC1)C2	REAL300004056854	1	36	-2.0	-96.08	324.43	6.42	-89.66
O=C([O-])C12CCC(C(=O)[N-]C3=NC(CC(F)(F)F)=CS3)(CC1)CC2	REAL300004056855	1	39	-2.0	-91.36	336.20	6.91	-84.45
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056856	1	34	-2.0	-92.95	299.77	5.47	-87.48
CC(CC(=O)[O-])CC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056857	1	31	-2.0	-96.40	290.02	5.11	-91.29
O=C([O-])C1(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CCCC1	REAL300004056861	1	32	-2.0	-114.51	293.95	5.85	-108.66
O=C([O-])C1=CC=C2CCCC(CC(=O)[N-]C3=NC(CC(F)(F)F)=CS3)C2=C1	REAL300004056862	1	42	-2.0	-105.08	369.52	8.94	-96.14
O=C([O-])C1=CN(CC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)N=C1	REAL300004056865	1	29	-2.0	-97.29	297.37	4.19	-93.10
O=C([O-])C1(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC2(CCC2)C1	REAL300004056867	1	36	-2.0	-116.61	322.45	6.76	-109.85
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300004056869	1	38	-2.0	-105.38	358.91	6.63	-98.75
O=C([O-])CSCCC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056870	1	29	-2.0	-89.80	300.45	5.23	-84.57
C[C@@H]1C[C@H](C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)O[C@H]1C(=O)[O-]	REAL300004056873	1	33	-2.0	-102.73	312.96	5.47	-97.26
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056874	1	34	-2.0	-99.50	310.57	5.58	-93.92
O=C([O-])C1=C(COCC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)OC=N1	REAL300004056879	1	32	-2.0	-109.68	323.41	1.69	-107.99
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300004056881	1	32	-2.0	-100.46	298.02	5.62	-94.84
O=C([O-])C1=NN(CC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C=C1	REAL300004056885	1	29	-2.0	-110.97	296.70	4.22	-106.75
O=C([O-])C1=NN(CCCC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C=C1	REAL300004056886	1	35	-2.0	-109.11	340.31	5.58	-103.53
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056887	1	29	-2.0	-119.34	278.82	4.90	-114.44
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)O1	REAL300004056888	1	36	-2.0	-99.83	334.25	5.87	-93.96
O=C([O-])[C@@H]1CO[C@H](CCC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300004056889	1	36	-2.0	-93.61	333.33	4.85	-88.76
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056890	1	29	-2.0	-119.34	278.82	4.90	-114.44
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056892	1	37	-2.0	-122.88	322.16	7.04	-115.84
CC(C)C(C(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056893	1	31	-2.0	-111.23	285.90	4.81	-106.42
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056894	1	35	-2.0	-113.09	304.97	6.68	-106.41
O=C([O-])C1CCCN(CC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300004056895	1	37	-2.0	-92.14	330.52	4.10	-88.04
O=C([O-])C1(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC1C1=CC=CC=C1	REAL300004056896	1	36	-2.0	-117.94	336.69	7.93	-110.01
O=C([O-])C1=CN(CC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C2=CC=CC=C12	REAL300004056898	1	36	-2.0	-105.74	348.64	8.18	-97.56
O=C([O-])C1CC12CC(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C2	REAL300004056899	1	33	-2.0	-99.48	313.01	6.40	-93.08
O=C([O-])[C@H]1C[C@@H](C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300004056900	1	29	-2.0	-100.78	282.71	5.05	-95.73
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056901	1	35	-2.0	-120.99	323.98	7.01	-113.98
CC1(C(=O)[O-])CC(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C1	REAL300004056903	1	32	-2.0	-98.55	299.75	5.46	-93.09
CCCC(C(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056907	1	31	-2.0	-111.76	292.14	5.30	-106.46
O=C([O-])C1CC2(C1)CC(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C2	REAL300004056910	1	36	-2.0	-91.76	331.58	6.91	-84.85
O=C([O-])C1(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC=CC1	REAL300004056913	1	30	-2.0	-116.15	289.14	5.41	-110.74
O=C([O-])CC1(CC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC1	REAL300004056916	1	32	-2.0	-103.44	303.22	5.76	-97.68
O=C([O-])C1C(F)(F)C12CC(C(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C2	REAL300004056917	1	33	-2.0	-92.55	324.69	6.56	-85.99
C[C@]1(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C[C@H]1C(=O)[O-]	REAL300004056919	1	29	-2.0	-120.74	286.50	5.09	-115.65
O=C([O-])C1=NC=CC=C1CCC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056925	1	34	-2.0	-116.22	324.23	5.50	-110.72
O=C([O-])C12CC(C(=O)[N-]C3=NC(CC(F)(F)F)=CS3)(C1)OC2	REAL300004056926	1	31	-2.0	-94.73	301.05	3.57	-91.16
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056928	1	29	-2.0	-113.92	282.30	5.21	-108.71
O=C([O-])C1(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)CC2(CCC2)C1	REAL300004056929	1	36	-2.0	-116.61	322.45	6.76	-109.85
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056936	1	30	-2.0	-114.75	292.75	5.62	-109.13
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056938	1	34	-2.0	-128.02	310.61	4.40	-123.62
CC(C)[C@]1(C(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C[C@H]1C(=O)[O-]	REAL300004056940	1	35	-2.0	-122.28	321.29	6.09	-116.19
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056941	1	35	-2.0	-96.20	331.99	7.19	-89.01
O=C([O-])C1=CSC(CC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)=C1	REAL300004056942	1	29	-2.0	-98.58	306.84	5.86	-92.72
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC(CC(F)(F)F)=CS2)C=C1F	REAL300004056943	1	32	-2.0	-96.24	319.83	6.74	-89.50
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300004056944	1	32	-2.0	-117.94	297.27	5.59	-112.35
O=C([O-])C12CCC(C(=O)[N-]C3=NC(CC(F)(F)F)=CS3)(CC1)CC2	REAL300004056946	1	39	-2.0	-91.36	336.20	6.91	-84.45
O=C(CN1C=C(C(=O)[O-])N=N1)[N-]C1=NC=C(C2CCOCC2)S1	REAL300004057379	1	36	-2.0	-105.37	329.89	2.89	-102.48
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(C4CCOCC4)S3)(C1)C2	REAL300004057387	1	38	-2.0	-100.00	331.30	5.78	-94.22
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCC1	REAL300004057388	1	37	-2.0	-118.47	315.54	5.22	-113.25
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(C4CCOCC4)S3)(CC1)C2	REAL300004057390	1	44	-2.0	-103.42	361.87	6.57	-96.85
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(C4CCOCC4)S3)(CC1)CC2	REAL300004057391	1	47	-2.0	-96.48	373.62	7.11	-89.37
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)CCCC1	REAL300004057397	1	40	-2.0	-120.72	333.05	5.83	-114.89
O=C(CN1C=C(C(=O)[O-])C=N1)[N-]C1=NC=C(C2CCOCC2)S1	REAL300004057400	1	37	-2.0	-103.96	334.81	4.37	-99.59
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)CC2(CCC2)C1	REAL300004057402	1	44	-2.0	-121.62	359.88	6.92	-114.70
O=C([O-])COCC(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300004057406	1	34	-2.0	-110.17	306.99	4.01	-106.16
C[C@@H]1C[C@H](C(=O)[N-]C2=NC=C(C3CCOCC3)S2)O[C@H]1C(=O)[O-]	REAL300004057408	1	41	-2.0	-110.56	350.41	5.68	-104.88
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300004057409	1	42	-2.0	-107.49	348.02	5.74	-101.75
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]C1=NC=C(C2CCOCC2)S1	REAL300004057414	1	40	-2.0	-117.33	360.83	1.89	-115.44
O=C(CN1C=CC(C(=O)[O-])=N1)[N-]C1=NC=C(C2CCOCC2)S1	REAL300004057420	1	37	-2.0	-118.74	334.13	4.38	-114.36
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC=C(C3CCOCC3)S2)O1	REAL300004057423	1	44	-2.0	-108.06	371.90	6.13	-101.93
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)CC1C1=CC=CC=C1	REAL300004057431	1	44	-2.0	-123.63	374.12	8.09	-115.54
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(C3CCOCC3)S2)C2=CC=CC=C12	REAL300004057433	1	44	-2.0	-112.42	386.07	8.33	-104.09
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)CC=CC1	REAL300004057448	1	38	-2.0	-120.96	325.22	5.73	-115.23
COC(C(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300004057454	1	34	-2.0	-119.57	305.30	3.86	-115.71
C[C@]1(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)C[C@H]1C(=O)[O-]	REAL300004057455	1	37	-2.0	-127.65	323.94	5.24	-122.41
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(C4CCOCC4)S3)(C1)OC2	REAL300004057462	1	39	-2.0	-100.41	338.48	3.73	-96.68
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300004057464	1	37	-2.0	-118.08	319.73	5.37	-112.71
O=C([O-])C1(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)CC2(CCC2)C1	REAL300004057465	1	44	-2.0	-121.62	359.88	6.92	-114.70
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300004057472	1	38	-2.0	-120.67	330.35	5.78	-114.89
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC=C(C2CCOCC2)S1	REAL300004057474	1	42	-2.0	-135.46	348.06	4.59	-130.87
CC(C)[C@]1(C(=O)[N-]C2=NC=C(C3CCOCC3)S2)C[C@H]1C(=O)[O-]	REAL300004057476	1	43	-2.0	-130.55	358.73	6.25	-124.30
O=C(CC1=CC(C(=O)[O-])=CS1)[N-]C1=NC=C(C2CCOCC2)S1	REAL300004057478	1	37	-2.0	-105.40	344.28	6.03	-99.37
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(C4CCOCC4)S3)(CC1)CC2	REAL300004057482	1	47	-2.0	-96.48	373.62	7.11	-89.37
CC1=C(C2CCCCC2)N=C([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)S1	REAL300004057507	1	41	-2.0	-102.61	356.05	5.30	-97.31
CC1=C(C2CCCCC2)N=C([N-]C(=O)C23CC(C(=O)[O-])(C2)C3)S1	REAL300004057515	1	43	-2.0	-98.75	359.06	8.26	-90.49
CC1=C(C2CCCCC2)N=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)S1	REAL300004057519	1	49	-2.0	-100.46	388.05	9.02	-91.44
CC1=C(C2CCCCC2)N=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004057520	1	52	-2.0	-95.28	401.18	9.58	-85.70
CC1=C(C2CCCCC2)N=C([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)S1	REAL300004057530	1	42	-2.0	-101.41	360.98	6.78	-94.63
CC1=C(C2CCCCC2)N=C([N-]C(=O)COCC(=O)[O-])S1	REAL300004057536	1	39	-2.0	-106.86	333.17	6.39	-100.47
CC1=C(C2CCCCC2)N=C([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)S1	REAL300004057538	1	46	-2.0	-107.45	376.48	8.05	-99.40
CC1=C(C2CCCCC2)N=C([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)S1	REAL300004057544	1	45	-2.0	-114.62	387.01	4.27	-110.35
CC1=C(C2CCCCC2)N=C([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)S1	REAL300004057550	1	42	-2.0	-115.34	360.31	6.80	-108.54
CC1=C(C2CCCCC2)N=C([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)S1	REAL300004057553	1	49	-2.0	-104.88	399.46	8.56	-96.32
CC1=C(C2CCCCC2)N=C([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)S1	REAL300004057566	1	49	-2.0	-109.70	412.25	10.77	-98.93
COC(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300004057587	1	39	-2.0	-119.47	331.47	6.25	-113.22
CC1=C(C2CCCCC2)N=C([N-]C(=O)[C@@]2(C)C[C@H]2C(=O)[O-])S1	REAL300004057588	1	42	-2.0	-125.19	347.83	8.03	-117.16
CC1=C(C2CCCCC2)N=C([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)S1	REAL300004057592	1	44	-2.0	-99.11	364.65	6.17	-92.94
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCCC2)=C(C)S1	REAL300004057602	1	43	-2.0	-121.93	356.36	8.21	-113.72
CC1=C(C2CCCCC2)N=C([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])S1	REAL300004057606	1	48	-2.0	-128.48	385.29	8.75	-119.73
CC1=C(C2CCCCC2)N=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004057611	1	52	-2.0	-95.28	401.18	9.58	-85.70
CC(C)(C)C1=CSC([N-]C(=O)CCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300004057694	1	41	-2.0	-92.80	356.90	8.17	-84.63
CC(C)(C)C1=CSC([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300004057697	1	43	-2.0	-91.61	389.56	3.08	-88.53
CC(C)(C)C1=CSC([N-]C(=O)CCC2=CC=CC=C2C(=O)[O-])=N1	REAL300004057702	1	41	-2.0	-116.27	348.29	7.90	-108.37
CC(C)(C)C1=CSC([N-]C(=O)CC2=CC=CC(C(=O)[O-])=C2)=N1	REAL300004057704	1	38	-2.0	-104.41	335.51	7.35	-97.06
CC(C)(C)C1=CSC([N-]C(=O)C2CCCC(C(=O)[O-])C2)=N1	REAL300004057705	1	41	-2.0	-102.96	337.42	6.90	-96.06
CC(C)(C)C1=CSC([N-]C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)=N1	REAL300004057710	1	41	-2.0	-92.91	336.63	6.88	-86.03
CC(C)(C)C1=CSC([N-]C(=O)C2CCC(C(=O)[O-])CC2)=N1	REAL300004057711	1	41	-2.0	-93.49	337.95	6.92	-86.57
CC(C)(C)C1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300004057712	1	38	-2.0	-97.04	335.50	7.36	-89.68
CC(C)(C)C1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)=N1	REAL300004057713	1	34	-2.0	-100.12	312.65	3.35	-96.77
CC(C)(C)C1=CSC([N-]C(=O)CC2CCC(C(=O)[O-])CC2)=N1	REAL300004057722	1	44	-2.0	-100.28	347.29	7.36	-92.92
CC(C)(C)C1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)=N1	REAL300004057723	1	42	-2.0	-97.61	344.64	7.06	-90.55
CC(C)(C)C1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300004057724	1	45	-2.0	-92.48	356.41	7.58	-84.90
CC(C)(C)C1=CSC([N-]C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300004057727	1	48	-2.0	-106.02	389.74	9.58	-96.44
CC(C)(C)C1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)=N1	REAL300004057730	1	35	-2.0	-98.90	317.57	4.83	-94.07
CC(C)(C)C1=CSC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300004057732	1	42	-2.0	-118.43	342.65	7.39	-111.04
CC(C)(C)C1=CSC([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)=N1	REAL300004057734	1	44	-2.0	-107.19	378.77	7.26	-99.93
CC(C)(C)C1=CSC([N-]C(=O)CCSCC(=O)[O-])=N1	REAL300004057735	1	35	-2.0	-91.05	320.66	5.88	-85.17
C[C@@H]1C[C@H](C(=O)[N-]C2=NC(C(C)(C)C)=CS2)O[C@H]1C(=O)[O-]	REAL300004057738	1	39	-2.0	-104.45	333.18	6.10	-98.35
CC(C)(C)C1=CSC([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)=N1	REAL300004057743	1	38	-2.0	-111.77	343.62	2.33	-109.44
CC(C)(C)C1=CSC([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)=N1	REAL300004057748	1	35	-2.0	-112.70	316.91	4.86	-107.84
CC(C)(C)C1=CSC([N-]C(=O)CCCN2C=CC(C(=O)[O-])=N2)=N1	REAL300004057749	1	41	-2.0	-110.72	360.52	6.22	-104.50
CC(C)(C)C1=CSC([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=N1	REAL300004057750	1	42	-2.0	-102.28	354.66	6.55	-95.73
CC(C)(C)C1=CSC([N-]C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)=N1	REAL300004057751	1	42	-2.0	-94.99	353.55	5.49	-89.50
CC(C)(C)C1=CSC([N-]C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])=N1	REAL300004057753	1	43	-2.0	-127.49	335.35	7.94	-119.55
CC(C)(C)C1=CSC([N-]C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])=N1	REAL300004057754	1	41	-2.0	-116.72	325.21	7.32	-109.40
CC(C)(C)C1=CSC([N-]C(=O)CN2CCCC(C(=O)[O-])C2)=N1	REAL300004057755	1	43	-2.0	-93.10	350.01	4.71	-88.39
CC(C)(C)C1=CSC([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)=N1	REAL300004057756	1	42	-2.0	-120.56	356.89	8.56	-112.00
CC(C)(C)C1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300004057758	1	42	-2.0	-107.10	368.85	8.82	-98.28
CC(C)(C)C1=CSC([N-]C(=O)C2CC3(CC3C(=O)[O-])C2)=N1	REAL300004057759	1	39	-2.0	-100.77	333.22	7.04	-93.73
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300004057760	1	41	-2.0	-123.46	344.18	7.64	-115.82
CC(C)(C)C1=CSC([N-]C(=O)C2CC3(CC(C(=O)[O-])C3)C2)=N1	REAL300004057766	1	42	-2.0	-93.16	351.79	7.55	-85.61
CC(C)(C)C1=CSC([N-]C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)=N1	REAL300004057771	1	39	-2.0	-93.75	344.91	7.20	-86.55
CC(C)(C)C1=CSC([N-]C(=O)CCC2=CC=CN=C2C(=O)[O-])=N1	REAL300004057778	1	40	-2.0	-117.71	344.43	6.14	-111.57
CC(C)(C)C1=CSC([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)=N1	REAL300004057779	1	37	-2.0	-95.83	321.18	4.21	-91.62
CC(C)(C)C1=CSC([N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300004057781	1	42	-2.0	-118.43	342.65	7.39	-111.04
CC(C)(C)C1=CSC([N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=N1	REAL300004057789	1	40	-2.0	-130.62	330.85	5.02	-125.60
CC(C)[C@]1(C(=O)[N-]C2=NC(C(C)(C)C)=CS2)C[C@H]1C(=O)[O-]	REAL300004057791	1	41	-2.0	-124.76	340.50	6.74	-118.02
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC(C(C)(C)C)=CS1	REAL300004057792	1	41	-2.0	-97.81	352.20	7.83	-89.98
CC(C)(C)C1=CSC([N-]C(=O)CC2=CC(C(=O)[O-])=CS2)=N1	REAL300004057793	1	35	-2.0	-100.60	327.05	6.50	-94.10
CC(C)(C)C1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300004057794	1	38	-2.0	-97.85	340.05	7.38	-90.47
CC(C)(C)C1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300004057796	1	45	-2.0	-92.48	356.41	7.58	-84.90
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC1	REAL300004057805	1	41	-2.0	-120.04	331.35	5.83	-114.21
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC1	REAL300004057806	1	41	-2.0	-120.04	331.35	5.83	-114.21
O=C(CN1C=C(C(=O)[O-])N=N1)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300004057816	1	43	-2.0	-107.44	358.89	3.91	-103.53
O=C([O-])C12CC(C(=O)[N-]C3=NC4=C(CC5(CCOCC5)CC4)S3)(C1)C2	REAL300004057824	1	45	-2.0	-102.16	360.29	6.82	-95.34
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCC1	REAL300004057825	1	44	-2.0	-120.98	344.80	6.25	-114.73
O=C([O-])C12CCC(C(=O)[N-]C3=NC4=C(CC5(CCOCC5)CC4)S3)(CC1)C2	REAL300004057828	1	51	-2.0	-106.12	391.83	7.65	-98.47
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CCCC1	REAL300004057833	1	47	-2.0	-123.30	362.32	6.86	-116.44
O=C(CN1C=C(C(=O)[O-])C=N1)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300004057836	1	44	-2.0	-106.14	363.80	5.39	-100.75
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC2(CCC2)C1	REAL300004057838	1	51	-2.0	-124.30	389.69	7.97	-116.33
O=C([O-])COCC(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300004057841	1	41	-2.0	-112.63	336.29	5.05	-107.58
C[C@@H]1C[C@H](C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)O[C@H]1C(=O)[O-]	REAL300004057843	1	48	-2.0	-113.10	380.20	6.72	-106.38
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300004057844	1	49	-2.0	-109.79	377.31	6.79	-103.00
O=C(CN1C=CC(C(=O)[O-])=N1)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300004057853	1	44	-2.0	-121.08	363.15	5.42	-115.66
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)O1	REAL300004057855	1	51	-2.0	-109.78	401.46	7.14	-102.64
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC=CC1	REAL300004057877	1	45	-2.0	-123.52	354.47	6.76	-116.76
COC(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300004057881	1	41	-2.0	-122.19	334.59	4.90	-117.29
C[C@]1(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C[C@H]1C(=O)[O-]	REAL300004057882	1	44	-2.0	-132.48	350.61	6.65	-125.83
O=C([O-])C12CC(C(=O)[N-]C3=NC4=C(CC5(CCOCC5)CC4)S3)(C1)OC2	REAL300004057884	1	46	-2.0	-102.56	367.51	4.73	-97.83
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300004057887	1	44	-2.0	-120.62	346.73	6.63	-113.99
O=C([O-])C1(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)CC2(CCC2)C1	REAL300004057888	1	51	-2.0	-124.30	389.69	7.97	-116.33
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300004057892	1	45	-2.0	-125.11	359.33	6.53	-118.58
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300004057894	1	49	-2.0	-138.29	377.09	5.58	-132.71
CC(C)[C@]1(C(=O)[N-]C2=NC3=C(CC4(CCOCC4)CC3)S2)C[C@H]1C(=O)[O-]	REAL300004057895	1	50	-2.0	-132.20	391.95	7.63	-124.57
O=C(CC1=CC(C(=O)[O-])=CS1)[N-]C1=NC2=C(CC3(CCOCC3)CC2)S1	REAL300004057896	1	44	-2.0	-107.70	373.59	7.07	-100.63
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=C(F)C=C2F)O1	REAL300004058841	1	38	-2.0	-97.83	365.33	2.80	-95.03
O=C([O-])C[C@@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(F)C=C1F	REAL300004060139	1	34	-2.0	-92.73	308.40	6.53	-86.20
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=C(F)C=C1F	REAL300004060151	1	37	-2.0	-110.63	349.03	9.56	-101.07
O=C([O-])C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300004060193	0	34	-2.0	-94.63	316.14	5.09	-89.54
O=C([O-])C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300004060193	1	34	-2.0	-94.61	316.20	5.10	-89.51
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=C(F)C=C2F)C=N1	REAL300004060249	0	40	-2.0	-98.02	363.63	4.62	-93.40
O=C([O-])C[C@@H](NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(F)C=C1F	REAL300004060295	1	33	-2.0	-93.82	297.24	4.64	-89.18
O=C([O-])C[C@@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=C(F)C=C1F	REAL300004060399	1	39	-2.0	-125.85	352.84	9.18	-116.67
O=C([O-])C[C@@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=C(F)C=C1F	REAL300004060627	0	34	-2.0	-95.18	334.72	7.59	-87.59
COC1=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=C(F)C=C2F)NC(=O)[N-]C1=O	REAL300004060640	1	37	-2.0	-97.29	340.75	2.59	-94.70
O=C([O-])C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300004060711	0	37	-2.0	-91.44	327.17	5.34	-86.10
O=C([O-])C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300004060711	1	37	-2.0	-91.47	327.23	5.36	-86.11
O=C([O-])C[C@@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(F)C=C1F	REAL300004060740	0	34	-2.0	-90.17	318.20	7.01	-83.16
CCOC1=CC(C(=O)N[C@H](CC(=O)[O-])C2=CC=C(F)C=C2F)=CC(Cl)=C1[O-]	REAL300004060743	1	41	-2.0	-100.35	379.56	8.56	-91.79
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H](CC(=O)[O-])C2=CC=C(F)C=C2F)=CO1	REAL300004060764	1	38	-2.0	-91.44	354.42	2.34	-89.10
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1F	REAL300004060887	0	37	-2.0	-89.99	348.24	5.67	-84.32
O=C([O-])C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1F	REAL300004060887	1	37	-2.0	-90.02	348.30	5.68	-84.34
O=C([O-])C[C@@H](NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(F)C=C1F	REAL300004061087	0	32	-2.0	-94.76	289.44	5.06	-89.70
COCC1=NC=C(C(=O)N[C@H](CC(=O)[O-])C2=CC=C(F)C=C2F)C(=O)[N-]1	REAL300004061109	1	39	-2.0	-109.96	346.75	4.49	-105.47
O=C([O-])C[C@@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(F)C=C1F	REAL300004061358	0	34	-2.0	-107.33	343.09	9.59	-97.74
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-][C@H](CC(=O)[O-])C1=CC=C(F)C=C1F	REAL300004061437	1	39	-2.0	-118.15	357.20	8.63	-109.52
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-][C@H](CC(=O)[O-])C1=CC=C(F)C=C1F	REAL300004061734	1	39	-2.0	-117.05	357.17	8.60	-108.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(F)C=C2F)O1	REAL300004062657	1	38	-2.0	-95.67	365.23	2.75	-92.92
O=C([O-])C[C@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(F)C=C1F	REAL300004063955	1	34	-2.0	-98.34	318.83	6.86	-91.48
O=C([O-])C[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=C(F)C=C1F	REAL300004063967	1	37	-2.0	-111.59	348.96	9.54	-102.05
O=C([O-])C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300004064009	0	34	-2.0	-94.19	316.04	5.04	-89.15
O=C([O-])C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300004064009	1	34	-2.0	-94.12	316.09	5.05	-89.07
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(F)C=C2F)C=N1	REAL300004064065	0	40	-2.0	-101.58	373.85	5.10	-96.48
O=C([O-])C[C@H](NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(F)C=C1F	REAL300004064111	1	33	-2.0	-99.61	307.68	4.97	-94.64
O=C([O-])C[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=C(F)C=C1F	REAL300004064215	1	39	-2.0	-125.03	352.73	9.13	-115.90
O=C([O-])C[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=C(F)C=C1F	REAL300004064443	0	34	-2.0	-94.56	334.84	7.41	-87.15
COC1=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(F)C=C2F)NC(=O)[N-]C1=O	REAL300004064456	1	37	-2.0	-96.77	340.50	2.64	-94.13
O=C([O-])C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300004064527	0	37	-2.0	-99.85	337.84	5.71	-94.14
O=C([O-])C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300004064527	1	37	-2.0	-99.87	337.90	5.72	-94.15
O=C([O-])C[C@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(F)C=C1F	REAL300004064556	0	34	-2.0	-95.59	328.63	7.35	-88.24
CCOC1=CC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(F)C=C2F)=CC(Cl)=C1[O-]	REAL300004064559	1	41	-2.0	-99.64	379.68	8.39	-91.25
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(F)C=C2F)=CO1	REAL300004064580	1	38	-2.0	-98.45	364.69	2.63	-95.82
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1F	REAL300004064703	0	37	-2.0	-89.07	348.14	5.61	-83.46
O=C([O-])C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1F	REAL300004064703	1	37	-2.0	-89.04	348.20	5.62	-83.42
O=C([O-])C[C@H](NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(F)C=C1F	REAL300004064903	0	32	-2.0	-98.17	299.88	5.40	-92.77
COCC1=NC=C(C(=O)N[C@@H](CC(=O)[O-])C2=CC=C(F)C=C2F)C(=O)[N-]1	REAL300004064925	1	39	-2.0	-109.34	353.37	4.12	-105.22
O=C([O-])C[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=C(F)C=C1F	REAL300004065174	0	34	-2.0	-108.11	343.15	9.48	-98.63
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-][C@@H](CC(=O)[O-])C1=CC=C(F)C=C1F	REAL300004065253	1	39	-2.0	-110.11	347.94	8.78	-101.33
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-][C@@H](CC(=O)[O-])C1=CC=C(F)C=C1F	REAL300004065550	1	39	-2.0	-111.16	347.91	8.78	-102.38
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(=O)[O-])C2CCCC2)C=C1	REAL300004066920	1	49	-2.0	-119.32	405.30	11.02	-108.30
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2CCCC2)O1	REAL300004067281	1	50	-2.0	-100.86	409.88	4.04	-96.82
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2CCCC2)O1	REAL300004067282	1	41	-2.0	-99.27	353.86	1.94	-97.33
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C2CCCC2)=CS1	REAL300004067769	1	48	-2.0	-120.33	396.15	6.06	-114.27
CC1=C(CC(=O)NC(CC(=O)[O-])C2CCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004067967	1	50	-2.0	-106.29	405.11	6.44	-99.85
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCC1	REAL300004068847	1	40	-2.0	-113.03	335.79	8.50	-104.53
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2CCCC2)C=N1	REAL300004068932	0	43	-2.0	-107.10	361.93	4.35	-102.75
O=C([O-])CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCC1	REAL300004068953	1	42	-2.0	-114.23	334.92	6.42	-107.81
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCCC3)=N2)=C1	REAL300004069005	0	53	-2.0	-137.75	420.79	9.49	-128.26
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCCC3)=N2)C=C1	REAL300004069006	0	53	-2.0	-123.72	420.51	9.04	-114.68
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2CCCC2)=N1	REAL300004069068	0	47	-2.0	-120.12	387.09	8.14	-111.98
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCC1	REAL300004069073	0	44	-2.0	-133.43	366.94	7.64	-125.79
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCC1	REAL300004069097	1	42	-2.0	-138.55	341.94	8.06	-130.49
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCCC3)=N2)=C1	REAL300004069223	0	47	-2.0	-128.65	385.07	7.77	-120.88
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2CCCC2)=N1	REAL300004069224	0	50	-2.0	-126.10	401.55	8.85	-117.25
CC1=C(CC(=O)NC(CC(=O)[O-])C2CCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004069274	1	50	-2.0	-104.31	405.29	6.44	-97.87
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCC1	REAL300004069318	0	37	-2.0	-92.86	323.24	6.75	-86.11
COC1=C(C(=O)NC(CC(=O)[O-])C2CCCC2)NC(=O)[N-]C1=O	REAL300004069325	1	40	-2.0	-103.64	329.90	1.52	-102.12
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCCC1	REAL300004069418	0	37	-2.0	-100.86	316.49	6.75	-94.11
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2CCCC2)=CC(Cl)=C1[O-]	REAL300004069421	1	44	-2.0	-98.64	366.04	7.78	-90.86
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCCC3)=N2)C=C1	REAL300004069429	0	48	-2.0	-123.60	389.80	6.42	-117.18
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2CCCC2)=CO1	REAL300004069443	1	41	-2.0	-101.22	351.52	1.64	-99.58
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300004069570	0	40	-2.0	-93.57	337.34	4.52	-89.05
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300004069570	1	40	-2.0	-93.56	337.41	4.53	-89.03
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2CCCC2)C(=O)[N-]1	REAL300004069816	1	42	-2.0	-99.03	340.35	3.11	-95.92
O=C([O-])CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCCC1	REAL300004069853	1	45	-2.0	-114.14	350.71	6.96	-107.18
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCC1	REAL300004070080	0	37	-2.0	-108.47	329.86	8.54	-99.93
O=C([O-])CC1=CN=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CCCC2)S1	REAL300004070780	1	39	-2.0	-110.56	351.07	9.23	-101.33
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300004070784	1	32	-2.0	-101.99	318.16	7.14	-94.85
CC1=CC(Cl)=CC=C1OCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004070785	1	33	-2.0	-103.35	325.14	7.21	-96.14
CC(OC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004070787	1	33	-2.0	-107.88	306.21	6.55	-101.33
COC1=CC=CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004070788	1	33	-2.0	-106.52	308.93	5.44	-101.08
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CC(=O)C1=CC=CC(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004070998	1	35	-2.0	-116.11	331.11	6.48	-109.63
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CC1OC2=CC=CC=C2OC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071004	1	35	-2.0	-106.64	318.41	7.06	-99.58
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CC1=NOC(C)=C1CCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071011	1	34	-2.0	-101.47	317.95	5.71	-95.76
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CC(=O)NC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(Cl)C=C1	REAL300004071014	1	39	-2.0	-102.13	365.27	5.99	-96.14
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CCS(=O)(=O)N1CCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004071016	1	40	-2.0	-105.44	357.91	3.04	-102.40
CC1=CC=C(C(=O)CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1C	REAL300004071017	1	40	-2.0	-105.77	359.41	7.98	-97.79
CC1=CC(=O)C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=NN1C1=CC=CC=C1F	REAL300004071018	1	38	-2.0	-130.81	363.02	8.25	-122.56
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CCC1=CC=C(N2CC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CC2=O)C=C1	REAL300004071020	1	43	-2.0	-109.70	376.07	7.94	-101.76
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O=C([O-])CC1=CN=C([N-]C(=O)C2CC(=O)N(C3=CC=CC=C3F)C2)S1	REAL300004071023	1	37	-2.0	-108.58	348.34	6.78	-101.80
O=C([O-])CC1=CN=C([N-]C(=O)CCN2C(=O)COC3=CC=CC=C32)S1	REAL300004071024	1	38	-2.0	-109.51	346.94	5.37	-104.14
CC1OC2=CC=CC=C2N(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1=O	REAL300004071026	1	41	-2.0	-109.45	367.26	6.06	-103.39
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CCN1C(=O)N(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C2=CC=CC=C21	REAL300004071035	1	39	-2.0	-115.98	360.82	7.83	-108.15
CC1=NN(C)C(C)=C1CCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071037	1	38	-2.0	-106.47	342.71	5.72	-100.75
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CC(=O)NC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CS1	REAL300004071039	1	36	-2.0	-107.59	349.00	4.81	-102.78
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CC(C)C1=NOC(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=N1	REAL300004071052	1	36	-2.0	-100.40	334.70	3.61	-96.79
COC1=CC=CC(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004071053	1	34	-2.0	-109.21	317.84	5.29	-103.92
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CC1=CC=C(C(=O)N2CCCC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)C2)C=C1	REAL300004071055	1	46	-2.0	-114.38	394.60	7.94	-106.44
CN(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)S(=O)(=O)C1=CC=CC=C1	REAL300004071056	1	37	-2.0	-102.52	352.96	3.88	-98.64
CC(=O)NC1=CC=C(SC(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071057	1	40	-2.0	-112.20	377.87	6.21	-105.99
COC1=CC=CC(SCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004071058	1	34	-2.0	-105.55	327.43	5.91	-99.64
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CN(C)C(=O)N1CCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004071066	1	41	-2.0	-107.27	342.72	4.72	-102.55
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O=C([O-])CC1=CN=C([N-]C(=O)COC2=CC(Cl)=CC=C2Cl)S1	REAL300004071078	1	30	-2.0	-105.20	321.10	7.05	-98.15
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O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300004071085	1	32	-2.0	-100.05	318.15	7.15	-92.90
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CC(C)=CC1C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1(C)C	REAL300004071087	1	39	-2.0	-107.59	341.46	7.69	-99.90
CS(=O)(=O)N1CCCCC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071088	1	37	-2.0	-112.12	325.40	2.85	-109.27
CC(=O)NC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1CCCC1	REAL300004071089	1	39	-2.0	-115.15	332.35	5.91	-109.24
COC1=CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CC=C1C	REAL300004071091	1	36	-2.0	-105.29	329.00	6.19	-99.10
O=C([O-])CC1=CN=C([N-]C(=O)C2(C3=CC=CC(C(F)(F)F)=C3)CCCC2)S1	REAL300004071093	1	42	-2.0	-118.12	372.20	9.73	-108.39
COC1=CC=C(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1F	REAL300004071094	1	36	-2.0	-104.62	336.55	6.33	-98.29
CC(C)C1=CC=C(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071096	1	41	-2.0	-104.16	361.05	8.88	-95.28
COC1=CC=CC(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004071098	1	36	-2.0	-106.47	330.33	6.26	-100.21
CC1=CC=CC(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004071099	1	35	-2.0	-104.78	322.23	7.62	-97.16
COC1=CC=C(SCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071101	1	37	-2.0	-102.79	349.09	6.70	-96.09
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CC(C)C(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1C(=O)C2=CC=CC=C2C1=O	REAL300004071108	1	42	-2.0	-118.77	374.67	8.43	-110.34
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COC1=CC=C(C(=O)NC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(C)C)C=C1	REAL300004071110	1	46	-2.0	-103.75	394.82	5.53	-98.22
CC1=CC=C(C(=O)CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071111	1	37	-2.0	-105.21	342.45	7.45	-97.76
CC1=CC=CC(C(=O)NC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(C)C)=C1	REAL300004071112	1	45	-2.0	-103.78	384.06	7.58	-96.20
CC(=O)C1=CC=C(OCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071113	1	41	-2.0	-108.19	371.89	6.97	-101.22
CC(C)C(NC(=O)C1=CC=CO1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071118	1	39	-2.0	-104.05	351.89	5.23	-98.82
COC1=CC=C(OCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071122	1	40	-2.0	-105.84	360.29	5.82	-100.02
CCOC1=CC=CC=C1OCCCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071123	1	43	-2.0	-110.66	381.89	7.36	-103.30
CC1=CC=C(OCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071124	1	39	-2.0	-105.81	352.20	7.21	-98.60
CC1=CC=CC(OCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004071125	1	39	-2.0	-106.17	352.20	7.21	-98.96
CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071126	1	48	-2.0	-103.32	398.98	7.39	-95.93
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CC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004071134	1	35	-2.0	-104.13	314.26	7.39	-96.74
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CC1=CC=C(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(C)=C1	REAL300004071138	1	38	-2.0	-104.85	337.61	8.09	-96.76
O=C([O-])CC1=CN=C([N-]C(=O)C2CC2C2=CC=CC=C2C(F)(F)F)S1	REAL300004071139	1	36	-2.0	-113.86	340.64	8.29	-105.57
CC1=CC(C)=C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(=O)N1	REAL300004071143	1	32	-2.0	-127.45	297.62	4.27	-123.18
CC(NC(=O)C1=CC=CS1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071149	1	33	-2.0	-103.28	326.46	3.82	-99.46
CC(=O)NCCNC(=O)CCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071150	1	39	-2.0	-109.07	361.02	0.67	-108.40
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O=C([O-])CC1=CN=C([N-]C(=O)C2=CC3=C(CCCC3)NC2=O)S1	REAL300004071153	1	36	-2.0	-125.45	322.62	5.40	-120.05
CC(C)(OC1=CC=CC(Cl)=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071154	1	36	-2.0	-101.35	333.62	7.40	-93.95
CC(OC1=CC=C(F)C=C1Cl)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071155	1	33	-2.0	-104.52	328.66	7.16	-97.36
O=C([O-])CC1=CN=C([N-]C(=O)C2=CNC(=O)C(Br)=C2)S1	REAL300004071157	1	26	-2.0	-99.09	282.17	3.18	-95.91
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CC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCCN(C(=O)C2=CC=CC=C2)C1	REAL300004071330	1	46	-2.0	-123.92	386.39	7.92	-116.00
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COC1=CC=CC(C2(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CCCC2)=C1	REAL300004071335	1	43	-2.0	-120.85	362.96	8.03	-112.82
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CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1F	REAL300004071347	1	32	-2.0	-105.85	301.39	6.71	-99.14
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CCOC1=CC=CC=C1C(=O)NCCCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071585	1	46	-2.0	-110.20	406.58	6.87	-103.33
O=C([O-])CC1=CN=C([N-]C(=O)C2(C3=CC=CC=C3)CCC2)S1	REAL300004071587	1	36	-2.0	-107.68	322.91	7.82	-99.86
O=C([O-])CC1=CN=C([N-]C(=O)CCC2=CC=C(C3=CC=CC=C3F)O2)S1	REAL300004071588	1	39	-2.0	-109.35	369.47	8.94	-100.41
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O=C([O-])CC1=CN=C([N-]C(=O)CSCC2=CC=C(Cl)C=C2)S1	REAL300004071599	1	33	-2.0	-103.43	340.58	8.03	-95.40
O=C([O-])CC1=CN=C([N-]C(=O)COC2=CC=C3OC4=C(CCCC4)C3=C2)S1	REAL300004071605	1	43	-2.0	-109.40	379.28	9.00	-100.40
O=C([O-])CC1=CN=C([N-]C(=O)C2CCCN(C3=NC=CC=N3)C2)S1	REAL300004071608	1	39	-2.0	-111.50	344.01	6.25	-105.25
CC(C)CC(=O)NC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C(C)C	REAL300004071609	1	44	-2.0	-102.08	368.26	5.27	-96.81
CC(C)C1=CC=CC(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004071611	1	39	-2.0	-107.61	348.55	7.90	-99.71
CC(C)C1=CC(OC(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CC=C1	REAL300004071612	1	42	-2.0	-108.58	366.42	8.47	-100.11
CC1=CC=C(C(C)C)C(OC(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004071613	1	45	-2.0	-110.16	385.99	9.25	-100.91
CC1=CC(OC(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CC=C1C(C)C	REAL300004071614	1	45	-2.0	-108.21	383.85	9.01	-99.20
CC(OC1=CC=CC(F)=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071615	1	33	-2.0	-106.47	312.62	6.62	-99.85
CC(NC(=O)C1CCCC1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071616	1	39	-2.0	-100.82	341.98	4.40	-96.42
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071617	1	42	-2.0	-107.80	383.24	8.32	-99.48
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071618	1	35	-2.0	-101.62	349.91	8.01	-93.61
COC1=CC=C(C(C)=O)C=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071624	1	38	-2.0	-117.09	350.28	5.99	-111.10
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC=C3CCCCC3=C2)S1	REAL300004071625	1	39	-2.0	-106.54	342.12	8.64	-97.90
CC1=CC=C(SCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1C	REAL300004071626	1	39	-2.0	-104.30	358.01	8.61	-95.69
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071628	1	45	-2.0	-107.36	382.15	8.92	-98.44
O=C([O-])CC1=CN=C([N-]C(=O)COCC2=CC=CC=C2)S1	REAL300004071629	1	33	-2.0	-107.23	313.90	6.48	-100.75
O=C([O-])CC1=CN=C([N-]C(=O)CCC(=O)N2CC(=O)NC3=CC=CC=C32)S1	REAL300004071631	1	41	-2.0	-108.37	370.01	4.64	-103.73
CC1=NC2=NC=NN2C(C)=C1CCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071634	1	39	-2.0	-102.18	351.80	8.85	-93.33
CCS(=O)(=O)NC(CCSC)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071636	1	40	-2.0	-100.61	379.16	2.14	-98.47
CS(=O)(=O)C1=CC=C(OCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071638	1	42	-2.0	-112.37	391.47	4.06	-108.31
CC(=O)C1=CC=CC(OCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004071644	1	41	-2.0	-113.89	373.56	7.03	-106.86
CC(=O)CCC1=CC=C(OC(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071645	1	44	-2.0	-109.31	393.58	8.73	-100.58
CC(=O)C1=CC=CC(OC(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004071646	1	38	-2.0	-116.72	347.23	7.00	-109.72
O=C([O-])CC1=CN=C([N-]C(=O)CN2C=CC3=CC([N+](=O)[O-])=CC=C32)S1	REAL300004071648	1	35	-2.0	-100.35	340.69	8.28	-92.07
O=C([O-])CC1=CN=C([N-]C(=O)C2COC3=CC=CC=C32)S1	REAL300004071650	1	31	-2.0	-107.26	293.18	5.15	-102.11
O=C([O-])CC1=CN=C([N-]C(=O)CCCNC(=O)C2=CC=CC=C2)S1	REAL300004071655	1	39	-2.0	-106.15	357.40	5.39	-100.76
CCC1=CC=C(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071658	1	38	-2.0	-104.20	343.72	8.39	-95.81
CCCCC1=CC=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071664	1	41	-2.0	-104.44	365.31	9.15	-95.29
CNS(=O)(=O)C1=CC=C(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071666	1	40	-2.0	-107.46	377.43	3.12	-104.34
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CC1=CC=C(SCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071684	1	36	-2.0	-103.67	341.02	8.09	-95.58
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071685	1	42	-2.0	-99.81	369.06	6.98	-92.83
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CC1=CC=C(C(C)C)C(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004071694	1	42	-2.0	-109.54	368.36	8.63	-100.91
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O=C([O-])CC1=CN=C([N-]C(=O)COC2=CC=C(Br)C=C2)S1	REAL300004071699	1	30	-2.0	-102.90	309.64	6.61	-96.29
COC1=CC=CC=C1C=C(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004071700	1	44	-2.0	-117.21	392.68	9.56	-107.65
CCC1=CC=C(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071702	1	36	-2.0	-106.73	331.23	7.43	-99.30
O=C([O-])CC1=CN=C([N-]C(=O)CN2C=CC(=O)NC2=O)S1	REAL300004071711	1	29	-2.0	-106.21	288.31	2.01	-104.20
CC(NC(=O)C1=COC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071712	1	33	-2.0	-103.74	317.72	2.79	-100.95
CCCCS(=O)(=O)N1CCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004071716	1	46	-2.0	-105.18	400.90	4.61	-100.57
CC(NS(=O)(=O)C1=CC=CS1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071717	1	34	-2.0	-107.09	342.61	1.47	-105.62
CCCS(=O)(=O)N1CCCCC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071718	1	43	-2.0	-114.01	368.39	4.52	-109.49
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CN(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)S(C)(=O)=O	REAL300004071720	1	30	-2.0	-99.72	293.77	0.67	-99.05
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NC=C(CC(=O)[O-])S1	REAL300004071721	1	37	-2.0	-104.61	347.35	4.57	-100.04
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O=C([O-])CC1=CN=C([N-]C(=O)CCNC(=O)C2=CC3=CC=CC=C3C=C2)S1	REAL300004071724	1	42	-2.0	-111.81	381.97	6.86	-104.95
O=C([O-])CC1=CN=C([N-]C(=O)CCCNC(=O)C2CC2)S1	REAL300004071725	1	36	-2.0	-104.96	332.53	3.86	-101.10
COC1=CC=C(SC(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071726	1	37	-2.0	-106.56	351.20	6.63	-99.93
CC(SC1=CC=CC=C1Cl)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071727	1	33	-2.0	-106.48	329.64	7.54	-98.94
O=C([O-])CC1=CN=C([N-]C(=O)CCC2=CC=C(C3=CC=CC=C3)N2)S1	REAL300004071728	1	40	-2.0	-104.49	363.63	8.26	-96.23
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC=C(F)C(Br)=C2)S1	REAL300004071731	1	29	-2.0	-99.27	306.43	6.80	-92.47
COC1=CC=CC2=C1OCC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)=C2	REAL300004071733	1	36	-2.0	-111.55	332.07	5.98	-105.57
CC(C)(C)CC(=O)NCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071735	1	38	-2.0	-99.58	331.58	3.54	-96.04
O=C([O-])CC1=CN=C([N-]C(=O)CN2C=CC3=CC=CC=C32)S1	REAL300004071736	1	33	-2.0	-105.84	312.59	7.61	-98.23
O=C([O-])CC1=CN=C([N-]C(=O)CCCOC2=CC=CC(F)=C2)S1	REAL300004071737	1	36	-2.0	-105.46	337.20	6.61	-98.85
O=C([O-])CC1=CN=C([N-]C(=O)CN2N=C(C3=CC=CC=C3)C=CC2=O)S1	REAL300004071738	1	38	-2.0	-117.84	355.70	6.56	-111.28
CCCC(=O)N1CCCC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071743	1	39	-2.0	-119.23	341.99	6.34	-112.89
CCCC(=O)N1CCCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1	REAL300004071744	1	42	-2.0	-114.60	358.57	6.05	-108.55
CCCC(=O)N1CCCCC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071745	1	42	-2.0	-126.68	353.37	7.18	-119.50
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CC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(F)C=C1	REAL300004071748	1	35	-2.0	-101.16	320.67	7.44	-93.72
O=C([O-])CC1=CN=C([N-]C(=O)CCC2=CC3=CC=CC=C3C=C2)S1	REAL300004071750	1	38	-2.0	-106.08	346.94	9.21	-96.87
CC(OCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071756	1	36	-2.0	-108.33	334.12	7.18	-101.15
COC1=CC=C2CC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)COC2=C1	REAL300004071757	1	38	-2.0	-103.09	339.81	5.31	-97.78
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COC1=CC=CC=C1C1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004071761	1	37	-2.0	-112.48	337.35	6.65	-105.83
CC1=CC=CC=C1C1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004071762	1	36	-2.0	-107.53	323.88	7.75	-99.78
O=C([O-])CC1=CN=C([N-]C(=O)C2CCCN(C(=O)C3=CC=CC=C3)C2)S1	REAL300004071763	1	43	-2.0	-114.68	373.19	7.26	-107.42
CC(OC1=CC=CC(Br)=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071764	1	33	-2.0	-106.00	327.50	7.18	-98.82
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CC1=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)N=C(C2=CC=CO2)O1	REAL300004071767	1	35	-2.0	-114.68	338.19	3.24	-111.44
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071769	1	39	-2.0	-108.07	369.73	9.48	-98.59
CC1=CC=C(C2=NC(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)=CS2)C=C1	REAL300004071770	1	38	-2.0	-114.56	364.49	7.78	-106.78
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC=C(OC(F)F)C=C2)S1	REAL300004071772	1	33	-2.0	-106.42	318.68	5.74	-100.68
CN(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300004071779	1	38	-2.0	-121.16	357.48	3.56	-117.60
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O=C([O-])CC1=CN=C([N-]C(=O)CC2=CSC(C3=CC=CS3)=N2)S1	REAL300004071794	1	32	-2.0	-114.00	334.74	6.13	-107.87
COC1=CC=C(C)C=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071795	1	36	-2.0	-109.52	329.14	6.17	-103.35
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071802	1	45	-2.0	-108.53	386.50	9.18	-99.35
CC1=CC=C(Cl)C(OC(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004071803	1	36	-2.0	-109.26	343.66	7.76	-101.50
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071805	1	33	-2.0	-102.62	337.89	7.57	-95.05
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CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071807	1	43	-2.0	-108.11	380.38	9.97	-98.14
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CC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071812	1	42	-2.0	-101.14	382.14	6.74	-94.40
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CC1=CC(C)=NC(SCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=N1	REAL300004071815	1	34	-2.0	-109.35	333.65	5.39	-103.96
CSCCC(NC(=O)C1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071818	1	43	-2.0	-104.31	392.72	6.69	-97.62
CC1=CC=C(C(=O)NC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(C)C)C=C1	REAL300004071819	1	45	-2.0	-102.90	384.05	7.59	-95.31
CCOC1=CC=C(OCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071820	1	43	-2.0	-105.67	382.14	6.75	-98.92
COC1=CC=C(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(OC)=C1OC	REAL300004071822	1	44	-2.0	-108.29	393.04	6.14	-102.15
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CC1=CC=C(C2=NOC(CCC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)=N2)C=C1F	REAL300004071825	1	40	-2.0	-100.92	378.42	6.29	-94.63
CC1=CC(C2=NOC(CCC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)=N2)=CC=C1F	REAL300004071826	1	40	-2.0	-99.63	378.42	6.29	-93.34
CCOCCOC(C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071827	1	36	-2.0	-111.21	329.69	4.35	-106.86
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CC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1Br	REAL300004071839	1	35	-2.0	-105.75	331.94	7.90	-97.85
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CC1=CC=C(CN2C(=O)CCC2C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071841	1	43	-2.0	-107.11	383.30	7.79	-99.32
CC(CCC1=CC=CC(F)=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071842	1	38	-2.0	-105.36	345.90	8.32	-97.04
CC1=CC2=C(C=C1C)OC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C2	REAL300004071843	1	37	-2.0	-108.77	332.12	7.49	-101.28
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(Br)S1	REAL300004071844	1	29	-2.0	-101.08	309.99	6.61	-94.47
CCCOC1=CC=C(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071845	1	42	-2.0	-103.73	373.68	7.98	-95.75
CCC(CC)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004071847	1	41	-2.0	-108.50	338.44	7.83	-100.67
CC(CCOC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071849	1	39	-2.0	-106.88	347.96	7.07	-99.81
CCC(OC1=CC=CC=C1F)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071851	1	36	-2.0	-112.96	327.55	7.22	-105.74
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1N=NC(C2=CC=CC=C2)=N1	REAL300004071858	1	37	-2.0	-108.16	350.67	5.82	-102.34
CC1=C(C2=CC=CC=C2)C=C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(=O)N1	REAL300004071861	1	39	-2.0	-126.15	359.15	7.13	-119.02
CN(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1[N+](=O)[O-]	REAL300004071863	1	36	-2.0	-117.59	335.30	6.95	-110.64
CC(C)CC(C)OCCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071865	1	41	-2.0	-102.16	354.69	6.09	-96.07
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(Cl)C(Cl)=C1	REAL300004071866	1	32	-2.0	-101.76	328.25	7.66	-94.10
CC(C)(C)C1=CC=C(C2(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CC2)C=C1	REAL300004071871	1	45	-2.0	-108.76	376.76	10.61	-98.15
CC1=CC(C)=CC(C2(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CCC2)=C1	REAL300004071872	1	42	-2.0	-109.12	365.74	9.14	-99.98
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CC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCCC2=CC=CC=C21	REAL300004071896	1	39	-2.0	-107.25	330.58	8.37	-98.88
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CCCN1C(=O)N(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C2=CC=CC=C21	REAL300004071912	1	45	-2.0	-112.49	403.34	9.04	-103.45
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COC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004071916	1	36	-2.0	-109.48	317.04	5.39	-104.09
CCCN(CCC)C(=O)CCCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071917	1	47	-2.0	-114.33	403.07	7.65	-106.68
CCCN(CCC)C(=O)CCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071918	1	44	-2.0	-105.60	381.57	6.87	-98.73
CCCNC(=O)CCCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071921	1	38	-2.0	-113.81	343.51	3.87	-109.94
CC(C)NC(=O)CCCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071922	1	38	-2.0	-114.38	342.64	3.90	-110.48
COC1=CC=CC=C1C(C)CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071924	1	39	-2.0	-108.90	342.16	6.76	-102.14
CCOC1=CC=CC=C1C(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)NC(C)=O	REAL300004071925	1	46	-2.0	-108.87	398.43	5.53	-103.34
CC(CC1=CC=C(Cl)C=C1Cl)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071927	1	35	-2.0	-103.97	348.39	8.36	-95.61
CC1=CC=C(C(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071929	1	35	-2.0	-105.83	317.75	7.37	-98.46
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CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(F)C=C1	REAL300004071931	1	35	-2.0	-103.39	318.44	7.17	-96.22
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CC1=CC=C(C(C)(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071934	1	38	-2.0	-107.74	333.45	7.78	-99.96
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CC(SC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071939	1	33	-2.0	-103.31	338.44	7.86	-95.45
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CC1=CC=C(SCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071950	1	33	-2.0	-104.63	319.35	7.29	-97.34
CSCCC(NC(=O)C1=CC=CO1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071952	1	40	-2.0	-104.91	376.94	4.69	-100.22
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CC(C)OCCS(=O)(=O)NCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071955	1	40	-2.0	-105.27	373.17	0.33	-104.94
CCC1=CC=C(C(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004071956	1	38	-2.0	-105.88	339.24	8.13	-97.75
CC(C)(C)C1=NC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CS1	REAL300004071959	1	37	-2.0	-108.48	346.17	5.64	-102.84
CC(=O)N(CCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)CC1=CC=CC=C1	REAL300004071960	1	42	-2.0	-100.48	375.55	7.44	-93.04
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CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC(Br)=C1	REAL300004071963	1	35	-2.0	-106.86	333.34	7.72	-99.14
CC1(C)CCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C2=CC=CC=C21	REAL300004071964	1	42	-2.0	-108.89	346.82	9.52	-99.37
COC1=CC=CC=C1C1CC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071965	1	37	-2.0	-112.96	335.72	6.84	-106.12
COC1=CC=C(CN2CC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CC2=O)C=C1	REAL300004071966	1	44	-2.0	-102.46	393.24	6.36	-96.10
CCN(CC)C(=O)CCCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071967	1	41	-2.0	-114.60	360.07	6.14	-108.46
CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1C=C([N+](=O)[O-])C=N1	REAL300004071968	1	34	-2.0	-100.04	328.23	5.38	-94.66
CC1=NN(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(C)=C1[N+](=O)[O-]	REAL300004071969	1	37	-2.0	-99.01	354.27	5.92	-93.09
O=C([O-])CC1=CN=C([N-]C(=O)C2CCCCC2C(=O)N2CCCC2)S1	REAL300004071971	1	46	-2.0	-120.69	369.86	7.57	-113.12
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CCC(CC)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(Cl)C=C1	REAL300004071973	1	41	-2.0	-105.29	354.74	8.33	-96.96
CC1=CC=CC(C2(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CCCC2)=C1	REAL300004071974	1	42	-2.0	-114.83	354.87	9.41	-105.42
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CC(OC1=CC=C(Br)C=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004071996	1	33	-2.0	-103.65	327.28	7.21	-96.44
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COC1=CC=C(C2(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CCCC2)C=C1	REAL300004072002	1	43	-2.0	-115.81	363.83	8.01	-107.80
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CC(OC1=CC=CC=C1Cl)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072012	1	33	-2.0	-109.27	322.26	7.09	-102.18
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CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072044	1	43	-2.0	-117.39	375.08	6.20	-111.19
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CC1=C(C(C)C)C=C2C(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)=COC2=C1	REAL300004072047	1	44	-2.0	-109.98	384.85	8.96	-101.02
CC1=CC=C2C(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)=COC2=C1	REAL300004072048	1	35	-2.0	-107.85	328.72	7.18	-100.67
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CC1=CC=C(C)C(SCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004072106	1	36	-2.0	-105.55	337.85	7.85	-97.70
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CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072121	1	38	-2.0	-102.74	362.52	5.48	-97.26
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CC1CC1C1=CC=C(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)O1	REAL300004072127	1	39	-2.0	-104.79	353.69	8.15	-96.64
CC1=CC=C(OC(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(Br)=C1	REAL300004072131	1	36	-2.0	-108.34	348.05	7.87	-100.47
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CC1=NNC(=O)C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1C	REAL300004072138	1	31	-2.0	-115.18	290.23	2.80	-112.38
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CC(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072166	1	35	-2.0	-105.25	317.23	7.43	-97.82
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CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004072182	1	35	-2.0	-106.38	312.04	7.10	-99.28
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CC(OC1=CC=C(Cl)C=C1Cl)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072186	1	33	-2.0	-104.69	338.98	7.60	-97.09
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CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300004072198	1	35	-2.0	-111.37	342.32	3.90	-107.47
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CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NC=C(CC(=O)[O-])S2)O1	REAL300004072210	1	40	-2.0	-88.90	373.77	2.79	-86.11
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NC=C(CC(=O)[O-])S2)O1	REAL300004072211	1	31	-2.0	-88.36	318.32	0.38	-87.98
CC(C)(C)C1=NOC(CCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=N1	REAL300004072212	1	42	-2.0	-107.06	375.62	4.94	-102.12
CC1=NOC(CCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=N1	REAL300004072213	1	33	-2.0	-106.43	313.90	3.33	-103.10
CCC1=NOC(CCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=N1	REAL300004072214	1	36	-2.0	-106.63	335.38	3.93	-102.70
CCN(CC)C(=O)N1CCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004072216	1	47	-2.0	-106.90	382.00	6.59	-100.31
CC1=CC(NC(=O)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=NO1	REAL300004072217	0	29	-2.0	-101.62	288.95	2.94	-98.68
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CC(C)C1=CC=C(N2CCC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)C2=O)C=C1	REAL300004072238	1	46	-2.0	-117.40	393.10	8.47	-108.93
CC(C)CNC(=O)N1CCCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1	REAL300004072239	1	47	-2.0	-113.62	393.04	5.76	-107.86
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CC(OC1=CC=CC(Cl)=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072245	1	33	-2.0	-106.05	322.94	7.07	-98.98
CC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(C(F)(F)F)C=C1	REAL300004072248	1	38	-2.0	-100.73	353.01	8.39	-92.34
CC1=CSC(C(O)(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(F)(F)F)=N1	REAL300004072251	1	35	-2.0	-95.80	343.63	3.37	-92.43
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CC(C)CCOC(C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072254	1	38	-2.0	-106.20	334.77	6.23	-99.97
CC(OCC1CCCCO1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072255	1	40	-2.0	-109.41	349.41	5.45	-103.96
CC(OCC1CCCO1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072256	1	37	-2.0	-113.02	331.29	4.61	-108.41
CC1=CC=C(CCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072257	1	41	-2.0	-104.06	365.22	9.19	-94.87
CC1=CC=C(C)C(OCCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004072258	1	45	-2.0	-104.59	393.77	8.74	-95.85
CC1=CC=CC(OCCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004072259	1	42	-2.0	-104.26	373.70	7.99	-96.27
CC(C)OC1=CC=CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004072260	1	39	-2.0	-107.16	348.70	6.99	-100.17
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CC(CC1=CC=CC(F)=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072264	1	35	-2.0	-103.53	323.60	7.50	-96.03
CC(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072265	1	35	-2.0	-101.89	323.59	7.49	-94.40
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CC(NC(=O)CC1CCCCC1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072271	1	45	-2.0	-101.72	378.79	5.77	-95.95
CC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)NC(=O)C1CCCC1	REAL300004072272	1	42	-2.0	-106.62	362.90	5.33	-101.29
CC(C)(C)CC(=O)N1CCCC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072275	1	45	-2.0	-118.08	373.79	7.30	-110.78
CC1=CC=CC=C1C(C)(C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072276	1	38	-2.0	-105.19	321.88	7.42	-97.77
CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C2OCCOC2=C1	REAL300004072277	1	41	-2.0	-112.11	356.51	6.26	-105.85
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CC1=NN(C)C(C)=C1C(C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072279	1	38	-2.0	-109.62	330.77	5.29	-104.33
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CC1=CN(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C2=CC=CC=C12	REAL300004072285	1	36	-2.0	-106.78	334.49	8.29	-98.49
CC1=CC=C2C(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)=CNC2=C1	REAL300004072286	1	36	-2.0	-109.71	332.71	6.86	-102.85
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CC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1CCCCC1	REAL300004072289	1	41	-2.0	-103.68	334.10	7.53	-96.15
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CC(C)(NS(C)(=O)=O)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072303	1	33	-2.0	-99.12	302.01	0.48	-98.64
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CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC(F)=C1	REAL300004072326	1	32	-2.0	-101.75	302.77	6.75	-95.00
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CCC(C)C(=O)N1CCCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1	REAL300004072338	1	45	-2.0	-114.02	374.85	6.45	-107.57
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CCC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004072346	1	35	-2.0	-106.57	315.92	7.37	-99.20
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CC1=CC=C(C(=O)NCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)S1	REAL300004072354	1	33	-2.0	-102.73	327.72	3.76	-98.97
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COC1=CC=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1F	REAL300004072359	1	33	-2.0	-103.75	315.15	5.51	-98.24
CC(C)CC1=CC=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072360	1	41	-2.0	-104.50	360.57	8.83	-95.67
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CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072362	1	42	-2.0	-110.79	375.74	8.25	-102.54
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O=C([O-])CC1=CN=C([N-]C(=O)CCC2=NC(C3=CC=C(Cl)C=C3)=NO2)S1	REAL300004072371	1	37	-2.0	-99.63	368.45	6.10	-93.53
O=C([O-])CC1=CN=C([N-]C(=O)C(CC2=CC=CC=C2)N2C=NN=N2)S1	REAL300004072372	1	37	-2.0	-95.27	347.95	6.80	-88.47
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CC(C)C(NC(=O)C1=CC=CC=C1Cl)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072377	1	42	-2.0	-104.43	378.30	6.86	-97.57
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CCOC1=CC=CC=C1CCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072381	1	39	-2.0	-109.68	350.99	7.23	-102.45
CC(C)(C)C1=CC=C(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072382	1	44	-2.0	-104.26	377.02	9.27	-94.99
CC(C)C(NC(=O)C1=CC=CS1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072385	1	39	-2.0	-102.76	354.77	5.91	-96.85
CC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)NC(=O)C1=CC=CC=C1	REAL300004072390	1	39	-2.0	-108.97	355.26	5.74	-103.23
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CC(C)C1=CC=C(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072392	1	39	-2.0	-106.56	348.54	7.92	-98.64
CC(=O)NC1=CC=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072395	1	36	-2.0	-109.92	335.78	5.03	-104.89
CC(C)(C)C1=CC=CC=C1OCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072396	1	42	-2.0	-107.91	359.52	8.51	-99.40
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CC1=CC2=CC=CC=C2N1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072400	1	36	-2.0	-106.54	331.66	8.05	-98.49
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072402	1	41	-2.0	-117.71	361.87	9.24	-108.47
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COC1=CC(C(C)=O)=CC=C1OCCCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072404	1	45	-2.0	-112.36	401.17	6.87	-105.49
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O=C([O-])CC1=CN=C([N-]C(=O)CCCOC2=CC=CC3=CC=CC=C32)S1	REAL300004072406	1	42	-2.0	-108.45	375.83	8.88	-99.57
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CCCC(=O)N1CSCC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072426	1	37	-2.0	-112.18	340.17	6.30	-105.88
CC(C)(C)CC(=O)N1CSCC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072427	1	43	-2.0	-111.54	372.30	7.13	-104.41
CCCCC(=O)N1CSCC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072428	1	40	-2.0	-112.47	361.67	7.08	-105.39
CC(C)OC1=CC=CC=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072430	1	39	-2.0	-109.99	347.54	7.05	-102.94
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CC(C)CCC(=O)NCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072435	1	38	-2.0	-99.93	338.95	3.71	-96.22
CC1CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC(C)(C)C1	REAL300004072436	1	44	-2.0	-105.19	354.08	7.91	-97.28
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072437	1	36	-2.0	-111.82	343.68	7.60	-104.22
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072438	1	33	-2.0	-102.10	339.67	7.58	-94.52
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CC(C)C(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)S(=O)(=O)C1CCCCC1	REAL300004072440	1	47	-2.0	-105.05	390.85	6.57	-98.48
CCSC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C(C)C	REAL300004072441	1	35	-2.0	-106.43	316.39	6.53	-99.90
CC1=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)N=C(C2=CSC=C2)O1	REAL300004072442	1	35	-2.0	-110.85	345.98	4.14	-106.71
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CC(C)CC(=O)NC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004072445	1	45	-2.0	-104.58	396.03	7.10	-97.48
CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC(C(F)(F)F)=C1	REAL300004072446	1	38	-2.0	-106.59	350.78	8.10	-98.49
O=C([O-])CC1=CN=C([N-]C(=O)CCC2=CC=CC(OC3CCCC3)=C2)S1	REAL300004072447	1	46	-2.0	-106.68	394.92	9.16	-97.52
CC(C)(C)C1=CC=C(CCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072449	1	47	-2.0	-105.03	398.52	10.06	-94.97
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CC(=O)NC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=C(F)C=CC=C1F	REAL300004072457	1	39	-2.0	-110.14	356.54	6.07	-104.07
CC(C)C(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004072459	1	41	-2.0	-104.32	351.79	8.45	-95.87
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C2OCCOC2=C1	REAL300004072460	1	38	-2.0	-106.88	340.82	5.84	-101.04
CCC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004072461	1	38	-2.0	-104.62	333.39	7.96	-96.66
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CC1=CC=C(NC(=O)CSCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072469	1	40	-2.0	-113.95	378.59	6.45	-107.50
CC1=CC=C(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(C)=C1	REAL300004072471	1	36	-2.0	-107.52	329.82	7.37	-100.15
CC1=CC(NC(=O)CSCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=NO1	REAL300004072480	1	36	-2.0	-110.97	353.53	4.96	-106.01
CC(SCC(=O)NC1=CC=C(F)C=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072484	1	40	-2.0	-114.41	382.17	6.41	-108.00
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CC(SCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072493	1	36	-2.0	-106.54	342.39	8.09	-98.45
CC(SC1=CC(Cl)=CC=C1Cl)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072494	1	33	-2.0	-103.06	348.34	8.04	-95.02
CC(C)C1=CC=C(SCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072495	1	39	-2.0	-104.13	358.13	8.53	-95.60
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CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072504	1	45	-2.0	-108.72	382.15	8.91	-99.81
CC1=CC(OC(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CC=C1Cl	REAL300004072508	1	36	-2.0	-104.17	341.65	7.66	-96.51
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CC(C)(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004072520	1	38	-2.0	-103.10	324.82	7.71	-95.39
CC(C)(C)C(=O)N1CCCC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072521	1	42	-2.0	-121.35	348.29	6.56	-114.79
CC12CCC(=O)N1C(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)CS2	REAL300004072522	1	35	-2.0	-114.96	328.13	4.95	-110.01
CC(C)C(SCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072523	1	42	-2.0	-107.59	379.68	9.95	-97.64
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COC1=CC=C(C(C)(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1OC	REAL300004072533	1	43	-2.0	-108.64	370.75	6.30	-102.34
COC1=CC=CC=C1C(C)(C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072534	1	39	-2.0	-109.99	336.81	7.45	-102.54
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CCOCCC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCCC1	REAL300004072536	1	42	-2.0	-106.69	351.69	7.19	-99.50
CC1=CC(CCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C(C)S1	REAL300004072537	1	38	-2.0	-104.57	352.06	8.13	-96.44
CC1=CC=C2CC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)SC2=C1	REAL300004072538	1	34	-2.0	-106.90	323.83	7.66	-99.24
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COC1=CC(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CC(OC)=C1OC	REAL300004072543	1	44	-2.0	-104.45	392.73	6.07	-98.38
CC(C)(C)C1CCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004072545	1	44	-2.0	-105.30	350.38	7.71	-97.59
CC1=CC(OCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CC=C1Cl	REAL300004072546	1	39	-2.0	-103.73	366.24	7.64	-96.09
CC(C)C(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(Cl)C=C1	REAL300004072547	1	38	-2.0	-102.30	347.61	9.34	-92.96
CC(C)(C)C1=CC=C(OCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072548	1	48	-2.0	-105.43	406.96	8.86	-96.57
CC(C)(C)OC(=O)N1CCCC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072552	1	43	-2.0	-117.27	368.69	5.83	-111.44
CCC(OC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072553	1	36	-2.0	-108.77	321.37	7.17	-101.60
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CCC1=CC=CC(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004072557	1	36	-2.0	-107.53	331.23	7.43	-100.10
CCC1=CC=C2C(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)=COC2=C1	REAL300004072559	1	38	-2.0	-107.62	350.20	7.95	-99.67
CC(C)C1=CC=CC=C1OCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072561	1	39	-2.0	-109.15	346.96	7.96	-101.19
CC1=CC=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1C	REAL300004072562	1	35	-2.0	-106.15	317.84	7.35	-98.80
CC1=CC=C(SCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(C)=C1	REAL300004072564	1	36	-2.0	-105.21	337.85	7.85	-97.36
CC12CC3CC(C)(C1)CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)(C3)C2	REAL300004072565	1	46	-2.0	-112.24	361.94	8.37	-103.87
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CC(C)(C)OC(=O)N1CCCCC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072572	1	46	-2.0	-121.31	379.02	6.88	-114.43
CC(NC(=O)OC(C)(C)C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072573	1	39	-2.0	-100.95	344.35	3.19	-97.76
CSCCC(NC(=O)OC(C)(C)C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072574	1	46	-2.0	-101.43	402.74	4.97	-96.46
CC(C)C(NC(=O)OC(C)(C)C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072575	1	45	-2.0	-101.73	375.44	4.61	-97.12
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072576	1	48	-2.0	-100.64	399.25	6.01	-94.63
CC(C)(C)OC(=O)NCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072577	1	36	-2.0	-99.86	323.79	2.28	-97.58
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CC(C)(C)OC(=O)NC(C)(C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072581	1	42	-2.0	-99.93	357.02	3.66	-96.27
CC(C)(C)OC(=O)N[C@H](C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004072582	1	46	-2.0	-105.37	403.19	6.51	-98.86
CN(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C(=O)OC(C)(C)C	REAL300004072583	1	39	-2.0	-110.59	344.81	5.17	-105.42
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CC(C)(C)OC(=O)N[C@H](C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C(C)(C)C	REAL300004072590	1	48	-2.0	-101.23	389.74	5.99	-95.24
CC(C)(C)OC(=O)NC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCCC1	REAL300004072591	1	46	-2.0	-113.56	377.72	5.81	-107.75
CC(C)C(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004072592	1	38	-2.0	-105.99	330.88	8.82	-97.17
CC(OC1=CC=CC=C1F)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072594	1	33	-2.0	-112.13	312.46	6.62	-105.51
CCCCS(=O)(=O)N1CCCC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072595	1	43	-2.0	-122.78	381.08	5.03	-117.75
CCC(OC1CCCCC1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072597	1	42	-2.0	-109.08	350.69	7.39	-101.69
CC1=C(C2CC2C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)SC=C1	REAL300004072598	1	33	-2.0	-104.00	309.94	7.20	-96.80
CS(=O)(=O)CC1(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004072599	1	35	-2.0	-111.80	329.48	2.82	-108.98
CC1=CC=C(F)C(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004072602	1	33	-2.0	-111.12	315.98	6.72	-104.40
CC1=CC=C(SC2(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CCCC2)C=C1	REAL300004072603	1	43	-2.0	-108.35	374.17	9.49	-98.86
CC1=NN(C)C(C)=C1OCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072604	1	36	-2.0	-108.89	336.28	4.93	-103.96
COC1=CC=C(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1C	REAL300004072607	1	37	-2.0	-106.69	337.90	6.03	-100.66
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CC(C)COC1=CC=CC(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004072611	1	43	-2.0	-109.03	381.29	7.71	-101.32
COC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCN(C(=O)OC(C)(C)C)CC1	REAL300004072614	1	50	-2.0	-102.87	398.68	7.75	-95.12
O=C([O-])CC1=CN=C([N-]C(=O)C2(C3=CC=CC(Br)=C3)CCC2)S1	REAL300004072616	1	36	-2.0	-103.94	338.32	9.10	-94.84
CC(C)C(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1N=NC(C2=CC=CC=C2)=N1	REAL300004072618	1	43	-2.0	-108.68	385.93	8.15	-100.53
C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072619	1	39	-2.0	-100.38	344.35	3.19	-97.19
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072620	1	46	-2.0	-119.62	379.04	6.88	-112.74
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072621	1	43	-2.0	-119.57	368.80	5.83	-113.74
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072622	1	46	-2.0	-121.24	379.18	6.87	-114.37
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072623	1	46	-2.0	-101.41	402.74	4.97	-96.44
COC1=CC=CC(C(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004072624	1	36	-2.0	-106.11	325.85	5.98	-100.13
CC1=CC=CC=C1C1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCOCC1	REAL300004072625	1	43	-2.0	-104.67	349.36	6.70	-97.97
CC(C)(C)OC(=O)N1CCCC1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072626	1	46	-2.0	-110.63	386.03	6.31	-104.32
CC1=NC([N+](=O)[O-])=CN1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072627	1	31	-2.0	-100.55	311.46	6.66	-93.89
CCOC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004072628	1	36	-2.0	-108.49	333.60	7.18	-101.31
O=C([O-])CC1=CN=C([N-]C(=O)CCC2=CC=C(Br)C=C2F)S1	REAL300004072630	1	32	-2.0	-103.71	327.58	7.61	-96.10
CS(=O)(=O)CCCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072633	1	31	-2.0	-117.55	304.55	1.49	-116.06
CC1=CC=CC=C1C1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCCCC1	REAL300004072635	1	45	-2.0	-106.92	357.61	9.08	-97.84
CC(C)(C)OC(=O)N1CSCC1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072638	1	41	-2.0	-109.35	366.09	6.07	-103.28
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=C(Cl)C=CC=C1Cl	REAL300004072639	1	32	-2.0	-105.38	317.82	7.37	-98.01
CC(C)(C)OC(=O)NC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C(C)(C)C	REAL300004072641	1	48	-2.0	-101.17	389.74	5.99	-95.18
CN1C=C(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C2=CC=CC=C21	REAL300004072644	1	39	-2.0	-110.40	355.18	8.73	-101.67
CC(C)(C)OC(=O)N1CC(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1	REAL300004072645	1	44	-2.0	-106.54	388.34	5.11	-101.43
CCC(OC1=CC=CC=C1Cl)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072646	1	36	-2.0	-110.08	337.35	7.70	-102.38
COC1=CC=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(Cl)=C1	REAL300004072647	1	33	-2.0	-104.45	323.15	5.88	-98.57
O=C([O-])CC1=CN=C([N-]C(=O)COC2=CC=C3CCCCC3=C2)S1	REAL300004072648	1	40	-2.0	-108.00	351.07	8.48	-99.52
CC(CSC1=CC=C(F)C=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072649	1	36	-2.0	-101.64	344.43	8.06	-93.58
CCC(CC1=CC=CC=C1Br)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072650	1	38	-2.0	-106.67	351.14	9.41	-97.26
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CNC3=CC=C([N+](=O)[O-])C=C23)S1	REAL300004072652	1	35	-2.0	-111.92	339.43	6.87	-105.05
O=C([O-])CC1=CN=C([N-]C(=O)C2CC23CCCC2=CC=CC=C23)S1	REAL300004072653	1	40	-2.0	-115.12	341.23	9.10	-106.02
O=C([O-])CC1=CN=C([N-]C(=O)CC2=NN(C3=CC=CC=C3)C=C2)S1	REAL300004072657	1	36	-2.0	-118.45	337.47	7.32	-111.13
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)S(=O)(=O)C1CCOCC1	REAL300004072658	1	39	-2.0	-102.57	349.35	2.36	-100.21
O=C([O-])CC1=CN=C([N-]C(=O)C2(CC3=CC=CC=C3)CC3CCC2C3)S1	REAL300004072659	1	46	-2.0	-115.58	374.25	9.72	-105.86
CC(C)(C)OC(=O)NC1(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCC1	REAL300004072662	1	46	-2.0	-107.44	387.49	5.20	-102.24
CC1=CC(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CC=C1Br	REAL300004072663	1	35	-2.0	-101.48	340.33	8.14	-93.34
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC2=CC=CC=C2O1	REAL300004072664	1	35	-2.0	-111.66	327.33	7.72	-103.94
CC1=CC=C(OCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1C	REAL300004072666	1	42	-2.0	-106.48	369.19	7.75	-98.73
CC(CN(C)C(=O)OC(C)(C)C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072667	1	45	-2.0	-110.12	380.20	6.05	-104.07
CC(C)C(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1CCCS1(=O)=O	REAL300004072669	1	40	-2.0	-113.81	348.57	2.50	-111.31
O=C([O-])CC1=CN=C([N-]C(=O)C2(C3=CC=C(Cl)C(Cl)=C3)CCC2)S1	REAL300004072670	1	36	-2.0	-106.09	348.92	9.45	-96.64
CC(C)(C)OC(=O)NCC(C)(C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072671	1	45	-2.0	-107.83	381.24	4.46	-103.37
CC1=CC=C2NC=C(CCC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)C2=C1	REAL300004072672	1	39	-2.0	-110.15	354.10	7.68	-102.47
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072673	1	38	-2.0	-104.52	349.15	8.29	-96.23
CCC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC(C(F)(F)F)=C1	REAL300004072674	1	38	-2.0	-101.70	354.66	8.36	-93.34
COC1=CC=C(C(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1OC	REAL300004072675	1	40	-2.0	-105.95	355.07	5.88	-100.07
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COC1=CC=C(Br)C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004072680	1	33	-2.0	-106.01	326.60	5.92	-100.09
O=C([O-])CC1=CN=C([N-]C(=O)CCCC2=C(Cl)SC(Cl)=C2)S1	REAL300004072681	1	32	-2.0	-102.89	344.72	7.83	-95.06
CC(C)(C)OC(=O)NCCCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072683	1	42	-2.0	-103.76	367.42	3.70	-100.06
COC1=CC=C(Cl)C=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072685	1	33	-2.0	-106.49	324.46	6.01	-100.48
CC(C)C(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC(Cl)=C1	REAL300004072687	1	38	-2.0	-101.95	347.61	9.33	-92.62
CC1=CC=C(C2=NN(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)N=N2)C=C1	REAL300004072688	1	37	-2.0	-107.11	352.51	5.82	-101.29
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CC(C)(C)OC(=O)N1CCCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1	REAL300004072690	1	46	-2.0	-108.99	384.45	6.35	-102.64
CC(=O)C1=C(C)OC(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004072691	1	37	-2.0	-102.73	344.49	6.45	-96.28
CC1=CC=C(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1Cl	REAL300004072700	1	35	-2.0	-102.92	336.29	8.05	-94.87
O=C([O-])CC1=CN=C([N-]C(=O)C2CC2C2=CC=C(C(F)(F)F)C=C2)S1	REAL300004072701	1	36	-2.0	-103.07	338.15	8.42	-94.65
CC(C)C1CCC(C)CC1OCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072702	1	48	-2.0	-108.45	388.49	8.40	-100.05
CCC(C)C1=CC=CC=C1OCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072703	1	42	-2.0	-109.77	365.40	8.61	-101.16
O=C([O-])CC1=CN=C([N-]C(=O)C2CSC3=CC=CC=C32)S1	REAL300004072705	1	31	-2.0	-105.85	302.11	6.95	-98.90
CCC1=CC=C(C(C)CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072707	1	41	-2.0	-104.01	357.16	8.83	-95.18
CCC(OC1=CC=CC=C1C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072708	1	39	-2.0	-108.85	340.73	7.91	-100.94
CC(C)(C)OC(=O)NC(C)(C)CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072710	1	45	-2.0	-102.25	370.43	4.04	-98.21
CC(C)(C)OC(=O)N1CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1	REAL300004072711	1	43	-2.0	-104.14	374.51	5.53	-98.61
O=C([O-])CC1=CN=C([N-]C(=O)C2(CC3=CC=CC(Cl)=C3)CCCC2)S1	REAL300004072712	1	42	-2.0	-106.28	370.28	10.88	-95.40
O=C([O-])CC1=CN=C([N-]C(=O)C2(CC3=CC=CC=C3)CCC2)S1	REAL300004072713	1	39	-2.0	-108.02	338.59	9.90	-98.12
CCC1=NOC(CC)=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072714	1	37	-2.0	-103.31	339.03	6.44	-96.87
O=C([O-])CC1=CN=C([N-]C(=O)C2(CC3=CC=CC=C3)CC2)S1	REAL300004072715	1	36	-2.0	-107.62	320.10	9.55	-98.07
COC1=CC=CC(OC)=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072716	1	37	-2.0	-114.10	335.74	4.88	-109.22
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC(Cl)=C1	REAL300004072721	1	32	-2.0	-101.92	313.09	7.20	-94.72
CCC(OC1CCCC(C)C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072722	1	45	-2.0	-108.99	371.25	8.03	-100.96
O=C([O-])CC1=CN=C([N-]C(=O)CC2=NN(C3=CC=C(F)C=C3)C=C2)S1	REAL300004072725	1	36	-2.0	-115.13	343.90	7.39	-107.74
COC1=CC=C(C(C)CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072726	1	39	-2.0	-104.06	343.75	6.67	-97.39
COC1=CC=C(CC(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072727	1	39	-2.0	-104.76	346.69	6.72	-98.04
COC1=CC=C(C(C)(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072728	1	39	-2.0	-107.84	341.52	6.40	-101.44
CCCC(O)(CCC)CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072730	1	41	-2.0	-107.35	340.74	5.05	-102.30
COC1=CC=CC(C(C)CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004072731	1	39	-2.0	-105.79	343.76	6.66	-99.13
COCCC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCCC1	REAL300004072732	1	39	-2.0	-106.08	329.84	6.22	-99.86
O=C([O-])CC1=CN=C([N-]C(=O)CC2CCSCC2)S1	REAL300004072734	1	33	-2.0	-101.82	299.12	6.10	-95.72
CC1=CC=C(CCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)S1	REAL300004072735	1	35	-2.0	-105.01	334.43	7.62	-97.39
O=C([O-])CC1=CN=C([N-]C(=O)CC(O)C2=CC=CC(F)=C2)S1	REAL300004072736	1	33	-2.0	-106.40	313.94	4.71	-101.69
CCC(OC1=CC=CC(C)=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072737	1	39	-2.0	-108.96	342.45	7.88	-101.08
CS(=O)(=O)C1=CC=C(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072739	1	36	-2.0	-112.20	349.02	3.51	-108.69
CC(OC1=CC=C2CCCC2=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072742	1	40	-2.0	-108.96	351.53	8.51	-100.45
CC(SC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004072746	1	33	-2.0	-104.89	316.57	7.07	-97.82
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072748	1	46	-2.0	-106.46	401.51	6.39	-100.07
O=C([O-])CC1=CN=C([N-]C(=O)CN2CCCS2(=O)=O)S1	REAL300004072749	1	31	-2.0	-118.27	302.02	0.95	-117.32
CC(C)(C)OC(=O)NC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004072752	1	40	-2.0	-114.92	355.35	3.80	-111.12
CC(C)(C)OC(=O)N1CCC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004072754	1	49	-2.0	-103.69	402.01	7.11	-96.58
O=C([O-])CC1=CN=C([N-]C(=O)CN2C=C([N+](=O)[O-])C=N2)S1	REAL300004072756	1	28	-2.0	-102.73	289.81	4.31	-98.42
COC1=CC=C2OCC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)=CC2=C1	REAL300004072762	1	36	-2.0	-108.47	332.25	5.42	-103.05
CC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)NC(=O)OC(C)(C)C	REAL300004072768	1	42	-2.0	-107.56	365.28	4.20	-103.36
CC(C)(C)OC(=O)N1CCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1	REAL300004072769	1	43	-2.0	-105.77	369.43	5.50	-100.27
O=C([O-])CC1=CN=C([N-]C(=O)CC2=NN(C3=CC=CC=C3)N=C2)S1	REAL300004072771	1	35	-2.0	-114.05	333.13	5.97	-108.08
CC(C)(C)OC(=O)N(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)CC1CC1	REAL300004072773	1	46	-2.0	-111.45	394.15	7.67	-103.78
CC(C)N(CCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C(=O)OC(C)(C)C	REAL300004072774	1	48	-2.0	-108.63	400.88	7.14	-101.49
O=C([O-])CC1=CN=C([N-]C(=O)CSCC2=CC=CS2)S1	REAL300004072786	1	30	-2.0	-104.85	314.08	6.60	-98.25
CCOC1=CC=C(SCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072788	1	37	-2.0	-103.44	349.27	6.83	-96.61
COC1=CC=CC(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1OC	REAL300004072790	1	40	-2.0	-109.84	359.87	6.21	-103.63
COC1=CC=C(SCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072796	1	34	-2.0	-103.76	327.42	5.90	-97.86
CC1=CC=C(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(Br)=C1	REAL300004072798	1	33	-2.0	-107.55	330.17	7.30	-100.25
CCOC1=CC=C(OC(C)(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004072800	1	43	-2.0	-105.45	368.23	7.08	-98.37
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CC(C)OC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073461	0	39	-2.0	-112.27	356.78	7.23	-105.04
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CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(Cl)C=C1	REAL300004073464	1	32	-2.0	-101.64	313.07	7.21	-94.43
COC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C(F)(F)F	REAL300004073465	1	29	-2.0	-98.42	287.41	4.00	-94.42
CSCC1(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004073466	1	33	-2.0	-104.64	311.53	6.28	-98.36
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CC(C)C1=CC=C(C2(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CCCCC2)C=C1	REAL300004073483	1	51	-2.0	-108.72	405.54	11.26	-97.46
CC(C)(CC(F)(F)F)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073484	1	31	-2.0	-98.44	287.59	5.29	-93.15
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COC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCC(F)(F)CC1	REAL300004073488	1	36	-2.0	-98.28	306.82	7.27	-91.01
CC1(C)CC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC(C)(C)C1	REAL300004073489	1	44	-2.0	-107.30	352.57	7.61	-99.69
O=C([O-])CC1=CN=C([N-]C(=O)CN2C=C(C3CC3)C=N2)S1	REAL300004073490	1	33	-2.0	-108.88	310.94	5.72	-103.16
O=C([O-])CC1=CN=C([N-]C(=O)C2CC3(CC3(F)F)C2)S1	REAL300004073493	1	30	-2.0	-99.44	291.65	5.99	-93.45
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC=C(Br)C=C2F)S1	REAL300004073503	1	29	-2.0	-102.43	306.18	6.81	-95.62
COC1=CC=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004073505	1	37	-2.0	-107.48	336.83	6.79	-100.69
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC=C(C3CCCCC3)C=C2)S1	REAL300004073507	1	45	-2.0	-104.79	381.28	9.95	-94.84
O=C([O-])CC1=CN=C([N-]C(=O)C2(C(F)(F)F)CCCCC2)S1	REAL300004073509	1	35	-2.0	-103.24	309.33	6.64	-96.60
CC(C)(OC1=CC=C(Br)C=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073510	1	36	-2.0	-102.36	338.27	7.48	-94.88
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073512	0	33	-2.0	-110.58	316.88	5.65	-104.93
COCCCN1N=C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=CC1=O	REAL300004073515	1	38	-2.0	-102.44	355.11	3.28	-99.16
COC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1CCOC1	REAL300004073518	1	34	-2.0	-107.91	298.85	3.94	-103.97
CC(C)(C)N1N=NC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=N1	REAL300004073519	1	36	-2.0	-109.98	332.79	3.73	-106.25
COCCCOCCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073521	1	36	-2.0	-101.56	330.11	3.07	-98.49
COC1=CC=C(OC(C)(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004073522	1	40	-2.0	-105.21	346.49	6.13	-99.08
CC(C)CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(Cl)C=C1	REAL300004073523	1	41	-2.0	-103.11	371.32	9.15	-93.96
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COC1=CC=CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1Cl	REAL300004073525	1	33	-2.0	-107.78	322.47	5.92	-101.86
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CC(C)(OC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073529	1	36	-2.0	-105.81	316.89	6.88	-98.93
CC1=CC=CC=C1C1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCC1	REAL300004073530	1	39	-2.0	-108.26	335.56	8.06	-100.20
CC1=CC=CC=C1CC(C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073534	1	38	-2.0	-105.49	333.24	7.90	-97.59
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CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073539	1	36	-2.0	-107.64	325.16	8.01	-99.63
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COC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1CCCCC1	REAL300004073541	1	39	-2.0	-109.49	327.23	7.08	-102.41
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CC1=CC=C2OC=C(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)C2=C1	REAL300004073547	1	35	-2.0	-108.58	328.74	7.17	-101.41
COC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(F)C=C1	REAL300004073548	1	33	-2.0	-103.09	318.16	6.30	-96.79
CCCC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC(Cl)=C1	REAL300004073549	1	38	-2.0	-102.66	354.15	8.66	-94.00
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CC1=CC=C(COC(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004073554	1	39	-2.0	-108.71	355.29	7.91	-100.80
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CC1=CC=CC=C1COC(C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073564	1	39	-2.0	-109.70	350.05	7.93	-101.77
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CCCC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(Cl)C=C1	REAL300004073616	1	38	-2.0	-103.05	354.15	8.67	-94.38
COC1=CC=CC(C(OC)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004073618	1	37	-2.0	-109.34	341.07	5.55	-103.79
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CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073624	1	39	-2.0	-101.81	355.69	7.86	-93.95
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CC1=CC=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1C	REAL300004073629	1	39	-2.0	-108.40	345.75	8.70	-99.70
CC1=CC=CC=C1COCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073630	1	36	-2.0	-109.29	330.07	7.17	-102.12
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CC1=CC=C(COCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004073632	1	36	-2.0	-107.48	335.31	7.15	-100.33
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CC1=CC=CC([C@@H]2C[C@H]2C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004073687	1	36	-2.0	-107.92	328.75	8.15	-99.77
CC1=NOC(C2(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CCOCC2)=C1	REAL300004073694	1	39	-2.0	-100.84	340.80	5.11	-95.73
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COC1=CC=C2C(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)=COC2=C1C	REAL300004073706	1	39	-2.0	-107.08	356.73	6.55	-100.53
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CC1(C)CCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(C2=CC=CC=C2)C1	REAL300004073711	1	48	-2.0	-107.15	380.27	9.79	-97.36
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CC1=CN(C(C)(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)N=C1C(F)(F)F	REAL300004073713	1	38	-2.0	-101.24	356.44	6.16	-95.08
CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1CCCCO1	REAL300004073714	1	39	-2.0	-108.61	324.44	6.23	-102.38
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CC(C)C(C)(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073719	1	44	-2.0	-106.23	355.45	9.47	-96.76
CC1=CC=CC=C1C1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCCC1	REAL300004073720	1	42	-2.0	-115.95	339.68	8.77	-107.18
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CSCCCCCCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073723	1	38	-2.0	-103.49	350.14	7.51	-95.98
CCC1=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C2=CC=CC=C2O1	REAL300004073724	1	38	-2.0	-109.00	346.07	8.00	-101.00
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CCOC1=CC=CC(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004073729	1	39	-2.0	-106.51	352.18	7.18	-99.33
CC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)COC2=CC=CC=C2O1	REAL300004073730	1	35	-2.0	-109.20	321.09	5.36	-103.84
CC1=CN2C=C(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)N=C2S1	REAL300004073731	1	32	-2.0	-119.08	317.90	6.77	-112.31
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CC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCC(F)(F)CC1	REAL300004073734	1	35	-2.0	-104.79	305.56	6.13	-98.66
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CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1C=CC(C(F)(F)F)=N1	REAL300004073741	1	32	-2.0	-95.20	318.36	4.91	-90.29
CC1=CC=CC(COC(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004073747	1	39	-2.0	-108.69	355.29	7.90	-100.79
CC1(C)[C@H](C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)[C@H]1C1=CC=CC=C1	REAL300004073748	1	39	-2.0	-108.57	343.02	8.38	-100.19
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CCC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(Br)C=C1	REAL300004073757	1	35	-2.0	-101.10	333.91	8.90	-92.20
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CC1=C(C)C2=C(CCC(C)(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)O2)C(C)=C1O	REAL300004073976	1	47	-2.0	-107.23	389.75	5.73	-101.50
CC1=C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(C)N2N=CN=C2N1C	REAL300004073981	1	38	-2.0	-106.45	339.00	8.11	-98.34
CC1=CC(=O)C=C(C)N1CCCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004073985	1	41	-2.0	-110.88	359.01	7.14	-103.74
CC1=CC(F)=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1F	REAL300004073992	1	32	-2.0	-104.78	311.56	6.89	-97.89
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC=CC=C2OC2CCCC2)S1	REAL300004073995	1	43	-2.0	-110.84	372.34	8.40	-102.44
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC=CC=C2OC2CCOC2)S1	REAL300004073996	1	41	-2.0	-114.35	363.59	5.85	-108.50
O=C([O-])CC1=CN=C([N-]C(=O)C2CCS(=O)(=O)C3=CC=CC=C32)S1	REAL300004073998	1	36	-2.0	-109.08	336.54	3.59	-105.49
CC(C)(C)CCC1(O)CC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1	REAL300004073999	1	45	-2.0	-105.66	372.86	5.14	-100.52
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC(F)=CC3=C2OCOC3)S1	REAL300004074004	1	35	-2.0	-109.74	329.15	5.34	-104.40
O=C([O-])CC1=CN=C([N-]C(=O)CCCOC2=CC=CC(Cl)=C2Cl)S1	REAL300004074014	1	36	-2.0	-107.24	362.00	7.57	-99.67
NS(=O)(=O)C1=CN(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)N=C1	REAL300004074015	1	34	-2.0	-105.98	338.19	-1.02	-107.00
NS(=O)(=O)C1=CN(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)N=C1	REAL300004074017	1	31	-2.0	-113.52	316.08	-1.54	-115.06
NS(=O)(=O)C1=CC=C(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004074018	1	35	-2.0	-109.43	342.51	0.95	-108.48
CC1=NC(S(=O)(=O)NCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CN1C	REAL300004074022	1	37	-2.0	-112.16	357.05	0.74	-111.42
CC1=NC(S(=O)(=O)NCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CN1C	REAL300004074023	1	40	-2.0	-110.32	379.10	1.38	-108.94
CC1=C(C)NC(=O)C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=N1	REAL300004074026	1	31	-2.0	-129.30	295.35	2.98	-126.32
O=C([O-])CC1=CN=C([N-]C(=O)C2CCN(C3=CC=CC=C3)C2)S1	REAL300004074027	1	38	-2.0	-105.28	330.93	5.67	-99.61
CC1=CC=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(Cl)=C1	REAL300004074028	1	32	-2.0	-105.07	315.07	7.24	-97.83
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC3=CC=NC=C3C=C2)S1	REAL300004074029	1	34	-2.0	-104.85	320.43	6.62	-98.23
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC3=CNN=C3C=C2)S1	REAL300004074030	1	32	-2.0	-108.54	305.68	4.86	-103.68
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC=CC(C(F)F)=C2)S1	REAL300004074031	1	32	-2.0	-105.90	311.61	7.00	-98.90
CC1=CC=CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1Cl	REAL300004074032	1	32	-2.0	-105.69	312.39	7.15	-98.54
CC1=CC=C2OC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CCC2=C1	REAL300004074040	1	37	-2.0	-109.73	333.26	7.76	-101.97
COC1=COC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CC1=O	REAL300004074042	1	29	-2.0	-103.37	288.24	3.49	-99.88
CC1=CSC(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=N1	REAL300004074044	1	31	-2.0	-104.99	307.41	4.66	-100.33
O=C([O-])CC1=CN=C([N-]C(=O)C2CCC(=O)C3=CC=CN32)S1	REAL300004074049	1	33	-2.0	-99.23	304.01	6.17	-93.06
CN1C=NC(S(=O)(=O)NCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004074056	1	34	-2.0	-111.25	337.54	0.95	-110.30
O=C([O-])CC1=CN=C([N-]C(=O)CC(O)C2=CC(Cl)=CC(Cl)=C2)S1	REAL300004074057	1	33	-2.0	-102.92	341.00	5.65	-97.27
CCC(C)(C)C1CCC2(CC2C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004074058	1	51	-2.0	-107.01	391.59	9.53	-97.48
CC1=CC=C(OCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(Cl)=C1	REAL300004074060	1	39	-2.0	-107.24	368.23	7.76	-99.48
CSCC1=NOC(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=N1	REAL300004074061	1	34	-2.0	-101.97	337.11	3.60	-98.37
O=C([O-])CC1=CN=C([N-]C(=O)C2(CC3=CC=CS3)CCCCC2)S1	REAL300004074064	1	42	-2.0	-107.77	354.70	9.91	-97.86
CC1=NC=CC(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=N1	REAL300004074069	1	33	-2.0	-104.69	311.84	4.94	-99.75
O=C([O-])CC1=CN=C([N-]C(=O)C2CCN3C(=CN=C3C3=CC=CC=C3)C2)S1	REAL300004074070	1	43	-2.0	-104.96	374.24	8.83	-96.13
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC(Cl)=CC3=C2OCC3)S1	REAL300004074072	1	34	-2.0	-108.71	331.98	6.50	-102.21
O=C([O-])CC1=CN=C([N-]C(=O)C2COCCN2CC(F)F)S1	REAL300004074078	1	35	-2.0	-105.21	305.07	1.52	-103.69
CC(C)(C)C(Br)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074084	1	31	-2.0	-100.11	290.34	5.35	-94.76
CC1=CC(C)=NN1CCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074086	1	35	-2.0	-104.65	323.50	5.18	-99.47
O=C([O-])CC1=CN=C([N-]C(=O)C2=CC=C(C(F)(F)F)NC2=O)S1	REAL300004074087	1	29	-2.0	-114.14	298.89	3.90	-110.24
O=C([O-])CC1=CN=C([N-]C(=O)CNS(=O)(=O)C2=CC=CN=C2)S1	REAL300004074088	1	33	-2.0	-104.62	328.50	0.07	-104.55
CC1=CC=C(C(O)(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(F)(F)F)O1	REAL300004074089	1	36	-2.0	-97.86	344.88	4.60	-93.26
O=C([O-])CC1=CN=C([N-]C(=O)C2CCCCN2CC2=CC=C(F)C=C2)S1	REAL300004074100	1	44	-2.0	-110.66	369.86	6.72	-103.94
O=C([O-])CC1=CN=C([N-]C(=O)C2CCCN2CC2=CC=C(F)C=C2)S1	REAL300004074101	1	41	-2.0	-108.11	362.93	6.33	-101.78
CC(C)C1=CC=C(C2(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CCCC2)C=C1	REAL300004074103	1	48	-2.0	-115.14	394.57	10.64	-104.50
CC1=NN(C(C)CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004074112	1	35	-2.0	-104.31	318.30	5.17	-99.14
CC(C)(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)CC1=CC=C(Cl)C=C1	REAL300004074116	1	41	-2.0	-101.90	361.91	8.96	-92.94
CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CSC(C2=CC=CS2)=N1	REAL300004074118	1	38	-2.0	-107.07	371.63	7.32	-99.75
O=C([O-])CC1=CN=C([N-]C(=O)COCC2=CC=CC(Cl)=C2)S1	REAL300004074119	1	33	-2.0	-105.95	330.63	6.99	-98.96
CC1=C(Br)C=C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(=O)N1	REAL300004074120	1	29	-2.0	-120.84	299.07	4.10	-116.74
O=C([O-])CC1=CN=C([N-]C(=O)C2(CC3=CC=CC=C3)CCOCC2)S1	REAL300004074125	1	43	-2.0	-103.89	350.84	8.84	-95.05
O=C([O-])CC1=CN=C([N-]C(=O)CC2CCCS(=O)(=O)C2)S1	REAL300004074127	1	35	-2.0	-108.37	318.08	2.44	-105.93
CC(C)C1CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCO1	REAL300004074129	1	42	-2.0	-102.70	349.31	6.14	-96.56
CCC1CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCO1	REAL300004074130	1	39	-2.0	-102.78	332.29	5.61	-97.17
COC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CN(C)N=C1	REAL300004074136	1	33	-2.0	-109.59	315.20	3.98	-105.61
CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)S(=O)(=O)C1CC1	REAL300004074138	1	35	-2.0	-121.70	325.93	3.06	-118.64
CN1N=CC2=C1N=C(CCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)NC2=O	REAL300004074140	1	37	-2.0	-102.01	348.63	4.16	-97.85
COC1=CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CC=C1O	REAL300004074141	1	34	-2.0	-105.65	319.69	3.27	-102.38
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC=C(O)C(F)=C2)S1	REAL300004074142	1	30	-2.0	-103.50	296.67	3.37	-100.13
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CNC3=CC=C(Br)C=C23)S1	REAL300004074144	1	33	-2.0	-108.23	332.70	6.82	-101.41
O=C([O-])CC1=CN=C([N-]C(=O)C(O)CCC2=CC=CC=C2)S1	REAL300004074146	1	36	-2.0	-103.00	332.66	5.59	-97.41
O=C([O-])CC1=CN=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CCCCC2)S1	REAL300004074148	1	42	-2.0	-104.69	362.04	9.85	-94.84
CC(C)(C)C1=CC=C(C2(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CCC2)C=C1	REAL300004074151	1	48	-2.0	-109.24	392.79	10.83	-98.41
CCC(NC1=NN=NN1C1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074154	1	42	-2.0	-99.82	375.27	7.29	-92.53
O=C([O-])CC1=CN=C([N-]C(=O)C2(CC3=CC=CC(F)=C3)CCCCC2)S1	REAL300004074158	1	45	-2.0	-113.34	370.48	10.85	-102.49
CCOCCS(=O)(=O)NCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074165	1	37	-2.0	-105.27	352.90	-0.41	-105.68
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC=C(Br)C(Cl)=C2)S1	REAL300004074174	1	29	-2.0	-99.35	315.55	7.21	-92.14
CC1=C(Br)C=CC=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074175	1	32	-2.0	-102.70	314.28	7.14	-95.56
CC1=C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(=O)NC2=CC=CC=C21	REAL300004074177	1	35	-2.0	-125.58	326.35	4.88	-120.70
CC1=NOC(C)=C1C(C)(C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074180	1	37	-2.0	-102.70	318.61	5.67	-97.03
O=C([O-])CC1=CN=C([N-]C(=O)C2(C3=CC=CN=C3)CC2)S1	REAL300004074182	1	32	-2.0	-104.39	295.55	6.51	-97.88
CN(C)C1=CC=CC(CCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004074183	1	40	-2.0	-106.09	353.34	7.36	-98.73
CC1=C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C(Br)C(=O)N1	REAL300004074184	1	29	-2.0	-98.07	298.13	3.78	-94.29
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N(C)CC(F)(F)F	REAL300004074185	1	33	-2.0	-102.14	303.73	3.14	-99.00
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CN=CN2CC2=CC=CC=C2)S1	REAL300004074190	1	39	-2.0	-111.79	354.60	8.82	-102.97
O=C([O-])CC1=CN=C([N-]C(=O)C(CO)C2=CC=CC=C2)S1	REAL300004074191	1	33	-2.0	-105.06	307.11	3.39	-101.67
O=C([O-])CC1=CN=C([N-]C(=O)C(O)C2=CC=C(Cl)C=C2)S1	REAL300004074193	1	30	-2.0	-99.75	304.08	4.68	-95.07
CC(C)CC1=CC=C(C(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004074196	1	44	-2.0	-106.17	377.51	9.37	-96.80
O=C([O-])CC1=CN=C([N-]C(=O)CCCN2C=NC3=CC=CC=C32)S1	REAL300004074198	1	38	-2.0	-108.78	349.66	8.52	-100.26
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300004074201	1	44	-2.0	-110.14	392.98	9.92	-100.22
O=C([O-])CC1=CN=C([N-]C(=O)C2CC3=CC=CC=C3C2)S1	REAL300004074203	1	33	-2.0	-106.03	301.76	7.20	-98.83
O=C([O-])CC1=CN=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])S1	REAL300004074205	1	30	-2.0	-104.83	302.02	7.08	-97.75
O=C([O-])CC1=CN=C([N-]C(=O)C2CCC(C(F)(F)F)CC2)S1	REAL300004074206	1	35	-2.0	-101.63	318.96	6.64	-94.99
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC(Cl)=CC=C2Br)S1	REAL300004074207	1	29	-2.0	-101.53	314.37	7.17	-94.36
CC(NS(C)(=O)=O)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074208	1	30	-2.0	-101.27	294.69	-0.69	-101.96
O=C([O-])CC1=CN=C([N-]C(=O)[C@H](O)C2=CC=CC=C2Cl)S1	REAL300004074209	1	30	-2.0	-103.57	298.51	5.01	-98.56
CC(C)(C)C1=CC=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004074210	1	41	-2.0	-105.18	355.63	8.47	-96.71
C[C@@H](OCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074211	1	36	-2.0	-108.36	334.12	7.18	-101.18
O=C([O-])CC1=CN=C([N-]C(=O)CNC2=CC=CC(C(F)(F)F)=C2)S1	REAL300004074214	1	34	-2.0	-99.25	331.03	5.45	-93.80
CC1=CC=CN2C=C(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)N=C12	REAL300004074217	1	35	-2.0	-120.94	326.97	7.36	-113.58
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CN3C=C(Cl)C=C(Cl)C3=N2)S1	REAL300004074218	1	32	-2.0	-115.16	339.02	7.72	-107.44
CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1CCOCC1	REAL300004074221	1	38	-2.0	-105.49	316.19	2.17	-103.32
O=C([O-])CC1=CN=C([N-]C(=O)C2CC3COCC(C2)C3=O)S1	REAL300004074223	1	36	-2.0	-102.76	308.39	5.18	-97.58
CC(O)(CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074226	1	36	-2.0	-103.96	326.48	4.18	-99.78
CC(OC1=CC=CN=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074227	1	32	-2.0	-106.48	301.26	4.81	-101.67
O=C([O-])CC1=CN=C([N-]C(=O)CN(CC2=CC=CN=C2)C2=CC=CC=C2)S1	REAL300004074229	1	43	-2.0	-106.61	381.89	8.34	-98.27
CNS(=O)(=O)N1CCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004074231	1	39	-2.0	-104.81	349.17	0.60	-104.21
O=C([O-])CC1=CN=C([N-]C(=O)CC2(CN3C=NN=N3)CCCCC2)S1	REAL300004074240	1	43	-2.0	-96.69	351.69	7.05	-89.64
O=C([O-])CC1=CN=C([N-]C(=O)C(O)C2=CC=C(Cl)C=C2F)S1	REAL300004074242	1	30	-2.0	-101.38	308.97	4.78	-96.60
O=C([O-])CC1=CN=C([N-]C(=O)C(O)C2=CC(Cl)=CC(Cl)=C2)S1	REAL300004074243	1	30	-2.0	-98.76	321.01	5.14	-93.62
O=C([O-])CC1=CN=C([N-]C(=O)CN(CC2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300004074249	1	44	-2.0	-106.27	381.00	9.97	-96.30
COC1=CC=CC(C(C)CCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004074251	1	45	-2.0	-105.75	387.59	8.15	-97.60
CC1CC2=CNN=C2C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1	REAL300004074252	1	36	-2.0	-114.99	319.55	4.97	-110.02
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CN(C)C(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CN=CN1C	REAL300004074315	1	37	-2.0	-100.14	315.56	3.67	-96.47
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CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300004074337	1	38	-2.0	-108.22	357.04	4.21	-104.01
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CN(C)C(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(Cl)C=C1	REAL300004074347	1	37	-2.0	-103.28	347.31	5.67	-97.61
CC=CCOC1=CC=CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004074350	1	40	-2.0	-106.99	365.39	7.81	-99.18
CC(C)CC1=CC=CC(C(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004074353	1	44	-2.0	-105.91	377.52	9.36	-96.55
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NC1=C2N=CN(CCCCC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)C2=NC=N1	REAL300004074371	1	41	-2.0	-108.97	375.91	7.09	-101.88
CCC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1CCOC(CC)C1	REAL300004074372	1	44	-2.0	-106.92	359.05	3.86	-103.06
CCN(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)CC1=CC=CC=C1Cl	REAL300004074373	1	40	-2.0	-107.91	359.88	6.24	-101.67
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CN(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=NC2=CC=CC=C2S1	REAL300004074384	1	36	-2.0	-111.96	346.63	7.21	-104.75
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CC1=CC=C(F)C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004074390	1	32	-2.0	-108.80	306.26	6.85	-101.95
CC1=CC(C(F)(F)F)=NN1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074399	1	32	-2.0	-102.81	321.91	4.99	-97.82
CC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CNC2=CC=CC=C12	REAL300004074401	1	39	-2.0	-108.32	348.84	7.52	-100.80
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=NC=C(CC(=O)[O-])S3)=N2)=C1	REAL300004074405	0	43	-2.0	-115.26	386.52	7.74	-107.52
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=NC=C(CC(=O)[O-])S3)=N2)C=C1	REAL300004074406	0	43	-2.0	-114.16	386.45	7.73	-106.43
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CC(OC1=CC=CC(CO)=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074410	1	37	-2.0	-111.08	339.02	3.89	-107.19
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CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CN(C)C2=CC=CC=C12	REAL300004074418	1	39	-2.0	-109.19	352.72	8.50	-100.69
CC1=NC2=CC=CC=C2N1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074421	1	35	-2.0	-106.80	327.38	7.00	-99.80
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NS(=O)(=O)N1CCCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1	REAL300004074423	1	36	-2.0	-107.86	329.71	-0.54	-108.40
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CNC3=CC(Br)=CC=C23)S1	REAL300004074424	1	33	-2.0	-105.57	332.61	6.81	-98.76
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074425	1	40	-2.0	-116.89	363.01	3.34	-113.55
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1OCCC2=C1C=CS2	REAL300004074426	1	37	-2.0	-106.42	336.97	6.93	-99.49
N#CC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCSCC1	REAL300004074433	1	31	-2.0	-98.64	295.08	5.25	-93.39
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CC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCC2(CC1)OCCO2	REAL300004074437	1	41	-2.0	-108.63	340.53	4.95	-103.68
CS(=O)(=O)NC1=CC=CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004074440	1	37	-2.0	-107.92	353.01	2.86	-105.06
CC1=NC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C(C)S1	REAL300004074441	1	31	-2.0	-107.49	304.89	4.51	-102.98
O=C([O-])CC1=CN=C([N-]C(=O)C2CN(CC3=CC=CC=C3)CCO2)S1	REAL300004074444	1	42	-2.0	-106.97	367.05	5.59	-101.38
COC1=CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CC(OC)=C1O	REAL300004074446	1	38	-2.0	-106.32	348.90	3.15	-103.17
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COCCS(=O)(=O)CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074448	1	32	-2.0	-114.55	316.08	0.10	-114.45
CN(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=C2NC=NC2=NC=N1	REAL300004074450	1	35	-2.0	-107.28	320.96	4.97	-102.31
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CCC1=CC=CC=C1OC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004074452	1	46	-2.0	-112.92	407.33	11.06	-101.86
CC1=CC=CC(COC2=CC=CC(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)=C2)=C1	REAL300004074453	1	46	-2.0	-108.35	412.10	10.09	-98.26
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1CCC(CC2=CC=CC=C2)CC1	REAL300004074458	1	50	-2.0	-106.19	404.75	8.05	-98.14
COC1=CC=CC(C(O)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004074459	1	34	-2.0	-104.98	316.84	3.45	-101.53
O=C([O-])CC1=CN=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CC2)S1	REAL300004074460	1	36	-2.0	-107.98	326.54	9.62	-98.36
O=C([O-])CC1=CN=C([N-]C(=O)C2(CO)CCOCC2)S1	REAL300004074461	1	34	-2.0	-107.17	294.84	1.00	-106.17
CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1CCCCC1	REAL300004074464	1	41	-2.0	-105.23	327.22	7.30	-97.93
COCC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCOCC1	REAL300004074465	1	37	-2.0	-106.53	317.09	3.40	-103.13
O=C([O-])CC1=CN=C([N-]C(=O)CCCC2=CC=CC=C2Cl)S1	REAL300004074467	1	35	-2.0	-106.59	335.00	8.10	-98.49
COC1=CC=C2CCC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)C2=C1	REAL300004074479	1	37	-2.0	-113.12	328.74	6.87	-106.25
COC1=CC=C2ON=C(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)C2=C1	REAL300004074483	1	35	-2.0	-110.34	332.33	4.76	-105.58
CN(C)S(=O)(=O)C1=CC=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004074484	1	40	-2.0	-108.78	375.02	4.14	-104.64
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CC1(C)CC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C2=CC=CC=C2O1	REAL300004074487	1	40	-2.0	-107.15	341.56	7.92	-99.23
COC1=CC=CC(CC2(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CCCCC2)=C1	REAL300004074488	1	49	-2.0	-109.54	393.56	10.10	-99.44
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CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC2=CC=CC=C2C=C1	REAL300004074492	1	38	-2.0	-107.39	342.25	8.94	-98.45
CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C2OCOC2=C1	REAL300004074493	1	38	-2.0	-109.18	338.08	5.76	-103.42
CC(O)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(Cl)C=C1	REAL300004074494	1	33	-2.0	-101.24	320.14	4.10	-97.14
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CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1CCSCC1	REAL300004074499	1	35	-2.0	-102.66	311.03	3.90	-98.76
CC(C)CC1=CC=C(CCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004074500	1	47	-2.0	-104.70	403.47	10.42	-94.28
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CC(OCC1=CC=NC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074562	1	35	-2.0	-107.41	328.75	5.47	-101.94
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CCON1CCC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004074567	1	41	-2.0	-103.66	351.45	5.17	-98.49
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CC1=CC(N(C)C)=CC(C)=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074573	1	43	-2.0	-107.97	364.90	7.59	-100.38
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CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1CCC2=CC=CC=C2C1	REAL300004074591	1	41	-2.0	-107.64	344.72	5.61	-102.03
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300004074593	1	46	-2.0	-105.10	386.57	5.12	-99.98
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CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074676	1	39	-2.0	-104.68	353.16	9.12	-95.56
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CC1=CC=CC(C)=C1NCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074680	1	37	-2.0	-105.04	331.96	5.95	-99.09
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CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=NC=C(CC(=O)[O-])S3)=N2)=C1	REAL300004074688	0	37	-2.0	-118.72	351.01	6.47	-112.25
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NC=C(CC(=O)[O-])S2)=N1	REAL300004074689	0	40	-2.0	-116.24	360.54	7.61	-108.63
C[C@H](CC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074690	1	35	-2.0	-105.21	317.18	7.43	-97.78
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CC(O)(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1	REAL300004074692	1	36	-2.0	-105.85	320.89	5.09	-100.76
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CC1=CC=CC(=O)N1CC(C)(O)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004074710	1	39	-2.0	-109.26	338.16	3.26	-106.00
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CC1=CN(C(C)(C)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=N1	REAL300004074736	1	35	-2.0	-103.16	317.60	6.41	-96.75
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CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004075213	1	41	-2.0	-109.00	358.83	7.89	-101.11
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COC1=CC(OC)=CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004075216	1	37	-2.0	-108.76	338.43	4.75	-104.01
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CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC(F)=CC(F)=C1	REAL300004075232	1	32	-2.0	-100.43	309.16	6.82	-93.61
CC(CCC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(Br)C=C1	REAL300004075233	1	38	-2.0	-103.13	357.90	8.71	-94.42
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COC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC(F)=CC(F)=C1	REAL300004075237	1	33	-2.0	-101.87	324.57	6.37	-95.50
CC1(C)CC2(CC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)C2)C1	REAL300004075239	1	39	-2.0	-105.71	332.36	7.32	-98.39
C[C@@H]1C[C@H](C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC(C)(C)C1	REAL300004075242	1	41	-2.0	-107.03	336.39	7.19	-99.84
CC1(C)C2CCC(C2)C1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004075244	1	39	-2.0	-108.85	314.02	6.91	-101.94
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CCC(C)(COCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004075250	1	45	-2.0	-104.54	389.14	8.11	-96.43
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CC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC2CCC(C1)S2	REAL300004075254	1	37	-2.0	-108.66	311.31	6.82	-101.84
CC1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC2CCC(C1)S2(=O)=O	REAL300004075255	1	39	-2.0	-98.19	317.94	3.22	-94.97
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CCCCCC1=CC=CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004075276	1	44	-2.0	-104.96	386.81	9.92	-95.04
CC(=O)N1CSC[C@@H]1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004075280	1	31	-2.0	-111.92	297.21	4.56	-107.36
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CC1=C([C@@H]2OCC[C@H]2C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=NN1C	REAL300004075293	1	40	-2.0	-103.87	352.94	4.50	-99.37
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004075294	1	46	-2.0	-108.60	387.25	5.94	-102.66
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CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004075311	1	43	-2.0	-105.20	373.18	5.73	-99.47
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CC(C)CC(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076026	1	47	-2.0	-106.60	394.45	11.04	-95.56
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COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076049	1	37	-2.0	-113.33	351.21	7.40	-105.93
CC1(C)CCCOC1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076050	1	39	-2.0	-108.62	323.12	5.82	-102.80
COC1=CC2=CC=C(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)C=C2C=C1	REAL300004076052	1	39	-2.0	-106.93	354.89	7.70	-99.23
CC12CCC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)(CC1)OC2	REAL300004076057	1	37	-2.0	-110.37	314.21	4.93	-105.44
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@H]2C2=CC=NC=C2Cl)S1	REAL300004076060	1	32	-2.0	-107.17	316.89	6.13	-101.04
CC1=C(C)NC(=O)C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004076061	1	32	-2.0	-127.22	299.10	4.14	-123.08
CC(C)(C)N1C=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=N1	REAL300004076062	1	38	-2.0	-106.80	342.19	5.95	-100.85
CC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=C(F)C(F)=C1	REAL300004076063	1	35	-2.0	-100.52	326.96	7.50	-93.02
CC1=CC=C(C2(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CC2)C(F)=C1	REAL300004076064	1	36	-2.0	-113.79	334.90	8.13	-105.66
CC1=NNC2=C1CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)CC2	REAL300004076069	1	36	-2.0	-104.98	320.43	4.82	-100.16
O=C([O-])CC1=CN=C([N-]C(=O)CCC2=C(Br)C=CS2)S1	REAL300004076070	1	29	-2.0	-103.60	310.50	6.58	-97.02
CC(C)(OC1=C(F)C=CC=C1F)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076072	1	36	-2.0	-116.14	332.56	7.18	-108.96
O=C([O-])CC1=CN=C([N-]C(=O)C2CCC3=NC(C(F)(F)F)=CN3C2)S1	REAL300004076074	1	36	-2.0	-97.40	341.34	6.55	-90.85
CC1=CC(C(F)(F)F)=CC=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076075	1	35	-2.0	-100.75	335.25	7.65	-93.10
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O=C([O-])CC1=CN=C([N-]C(=O)C[C@@H](O)C2=CC=CC=C2)S1	REAL300004076081	1	33	-2.0	-107.58	307.71	4.61	-102.97
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O=C([O-])CC1=CN=C([N-]C(=O)C23CCC(C(F)(F)F)(CC2)C3)S1	REAL300004076091	1	36	-2.0	-103.52	327.77	6.83	-96.69
CC=CC1=CC=C(OCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C(OC)=C1	REAL300004076093	1	41	-2.0	-112.38	370.35	7.72	-104.66
O=C([O-])CC1=CN=C([N-]C(=O)C2CCC(OC3=CC=CC=C3)CC2)S1	REAL300004076094	1	43	-2.0	-110.71	361.36	7.95	-102.76
O=C([O-])CC1=CN=C([N-]C(=O)C2CC3=CC=CN=C3C2)S1	REAL300004076095	1	32	-2.0	-106.18	296.58	5.43	-100.75
CCCCOC1=CC=C(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004076104	1	42	-2.0	-103.90	373.78	7.95	-95.95
CCCC(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076107	1	44	-2.0	-108.84	378.41	9.77	-99.07
CCC(C)(C)C1CCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004076108	1	47	-2.0	-106.71	358.07	8.04	-98.67
COC1CC2(C1)CCC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)CC2	REAL300004076109	1	43	-2.0	-106.33	358.88	6.34	-99.99
CCC(CCC1=CC=CC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076111	1	41	-2.0	-108.63	356.91	9.00	-99.63
O=C([O-])CC1=CN=C([N-]C(=O)CCC2=CC=C3CCOCC3=C2)S1	REAL300004076113	1	40	-2.0	-105.21	354.53	7.05	-98.16
O=C([O-])CC1=CN=C([N-]C(=O)C2CC23CCC(F)(F)CC3)S1	REAL300004076114	1	36	-2.0	-104.69	321.13	7.09	-97.60
CC1=C(C(=O)NC2=NC=C(CC(=O)[O-])S2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004076116	0	35	-2.0	-97.15	330.91	4.24	-92.91
COC1CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1(C)C	REAL300004076119	1	39	-2.0	-104.32	336.61	5.30	-99.02
O=C([O-])CC1=CN=C([N-]C(=O)C2CCC3(CC3(F)F)C2)S1	REAL300004076122	1	33	-2.0	-101.97	307.32	6.55	-95.42
O=C([O-])CC1=CN=C([N-]C(=O)C2CCCC3C2C3(F)F)S1	REAL300004076123	1	33	-2.0	-109.98	298.11	6.35	-103.63
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076124	1	37	-2.0	-112.24	330.06	6.73	-105.51
O=C([O-])CC1=CN=C([N-]C(=O)CCC2=CC=CC(Br)=C2F)S1	REAL300004076125	1	32	-2.0	-106.84	326.87	7.58	-99.26
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076126	1	44	-2.0	-103.14	333.44	7.60	-95.54
COC1=CC=CC=C1OC(C)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076130	1	37	-2.0	-113.77	335.48	6.30	-107.47
CC1=C(Cl)C=NN1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076131	1	29	-2.0	-103.38	297.75	4.53	-98.85
O=C([O-])CC1=CN=C([N-]C(=O)C2CCC(C3CCCO3)O2)S1	REAL300004076134	1	38	-2.0	-113.35	331.63	5.10	-108.25
O=C([O-])CC1=CN=C([N-]C(=O)C2CC=CC3=CC=CC=C32)S1	REAL300004076139	1	34	-2.0	-105.78	311.39	7.72	-98.06
NS(=O)(=O)CC1=CC=CC=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076143	1	37	-2.0	-109.76	349.40	1.70	-108.06
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COC1CC2(C1)CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C2	REAL300004076147	1	37	-2.0	-104.89	328.43	5.27	-99.62
CC(C)OCC1=CC=CC=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076149	1	42	-2.0	-106.34	370.83	7.63	-98.71
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CC12CC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)(CO1)CCC2	REAL300004076151	1	37	-2.0	-104.91	312.11	4.74	-100.17
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@H]2C2=C(Cl)C=CC=C2Cl)S1	REAL300004076152	1	33	-2.0	-109.66	336.02	8.27	-101.39
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NS(=O)(=O)C1=CC=C(SCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=C1	REAL300004076157	1	35	-2.0	-107.32	352.10	1.57	-105.75
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O=C([O-])CC1=CN=C([N-]C(=O)C2(C3CCOCC3)CC2(F)F)S1	REAL300004076164	1	37	-2.0	-107.67	327.76	5.97	-101.70
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CN1C=NC2=C1CCCC2C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076170	1	36	-2.0	-120.50	320.48	7.21	-113.29
CC(C)(C)C1CCC2=C(C=C(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)C(=O)N2)C1	REAL300004076174	1	48	-2.0	-125.28	391.77	7.45	-117.83
COC1=CC=C2C(=C1)CCCC2C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076177	1	40	-2.0	-107.30	342.97	7.97	-99.33
O=C([O-])CC1=CN=C([N-]C(=O)C(O)C2=CC=C(Cl)C=C2Cl)S1	REAL300004076180	1	30	-2.0	-99.78	315.23	5.52	-94.26
CC1=NC=NC2=C1CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)CC2	REAL300004076181	1	37	-2.0	-101.63	327.32	6.38	-95.25
COC1=CC=CC(CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=N1	REAL300004076183	1	32	-2.0	-110.78	305.08	3.13	-107.65
CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC(C(F)(F)F)=CC=N1	REAL300004076184	1	37	-2.0	-105.79	348.74	6.56	-99.23
O=C([O-])CC1=CN=C([N-]C(=O)C2CCC(OC(F)(F)F)CC2)S1	REAL300004076185	1	36	-2.0	-100.78	329.99	5.20	-95.58
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CSC(Cl)=C2)S1	REAL300004076186	1	26	-2.0	-100.02	286.45	5.71	-94.31
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076189	1	35	-2.0	-101.75	349.16	8.40	-93.35
CC(CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1)CC(F)(F)F	REAL300004076190	1	31	-2.0	-102.37	292.11	5.51	-96.86
O=C([O-])CC1=CN=C([N-]C(=O)CC2CCC3(CCCC3)CC2)S1	REAL300004076192	1	45	-2.0	-105.34	357.19	8.56	-96.78
O=C([O-])CC1=CN=C([N-]C(=O)CC2COCC3=CC=CC=C32)S1	REAL300004076195	1	37	-2.0	-106.39	324.73	6.01	-100.38
CC1=NN=C2CC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CN12	REAL300004076196	1	32	-2.0	-100.59	298.26	5.57	-95.02
O=C([O-])CC1=CN=C([N-]C(=O)CC2CCCCCC2(F)F)S1	REAL300004076197	1	38	-2.0	-103.03	317.26	6.83	-96.20
CC1CC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCS1(=O)=O	REAL300004076199	1	35	-2.0	-106.37	320.60	2.49	-103.88
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@@H]3CCCCC[C@H]23)S1	REAL300004076200	1	39	-2.0	-108.77	316.83	7.09	-101.68
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@]23CCCC2=CC=CC=C23)S1	REAL300004076202	1	40	-2.0	-107.90	342.78	9.01	-98.89
CCC1=CN2CC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CCC2=N1	REAL300004076203	1	39	-2.0	-100.23	343.50	6.92	-93.31
O=C([O-])CC1=CN=C([N-]C(=O)CCC23CCC(CC2)C3)S1	REAL300004076204	1	39	-2.0	-104.23	324.98	7.37	-96.86
CC1(C)CC2=CC=CC(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)=C2O1	REAL300004076207	1	40	-2.0	-112.74	356.80	7.36	-105.38
O=C([O-])CC1=CN=C([N-]C(=O)CCCOC2=CC=CC([N+](=O)[O-])=C2)S1	REAL300004076208	1	38	-2.0	-108.33	359.00	7.21	-101.12
CC1CCC(OCCCC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004076209	1	45	-2.0	-105.77	377.11	7.38	-98.39
COC1=CC([C@@H]2C[C@H]2C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C(OC)C=C1C	REAL300004076213	1	44	-2.0	-111.99	385.26	6.89	-105.10
O=C([O-])CC1=CN=C([N-]C(=O)CC2CCCCC2(F)F)S1	REAL300004076215	1	35	-2.0	-103.27	309.24	6.48	-96.79
O=C([O-])CC1=CN=C([N-]C(=O)C23CCC(C2)S(=O)(=O)CC3)S1	REAL300004076217	1	36	-2.0	-107.01	315.81	2.59	-104.42
O=C([O-])CC1=CN=C([N-]C(=O)C2CCCC3=NC=CC=C32)S1	REAL300004076218	1	35	-2.0	-104.44	308.56	6.85	-97.59
O=C([O-])CC1=CN=C([N-]C(=O)CCC2=C(F)C=CC=C2Cl)S1	REAL300004076221	1	32	-2.0	-108.80	320.18	7.40	-101.40
O=C([O-])CC1=CN=C([N-]C(=O)C2CC3=CSC=C3C2)S1	REAL300004076224	1	30	-2.0	-103.71	291.86	6.15	-97.56
CCC1=CC=CC(CC)=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076227	1	41	-2.0	-105.86	347.86	8.41	-97.45
CC1(C)CCCC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004076228	1	41	-2.0	-105.67	322.12	7.06	-98.61
O=C([O-])CC1=CN=C([N-]C(=O)C2CC3(CC(OCC4=CC=CC=C4)C3)C2)S1	REAL300004076229	1	47	-2.0	-106.68	410.20	9.29	-97.39
CC(C)[C@H]1CC[C@@H](C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004076230	1	41	-2.0	-106.85	330.96	7.28	-99.57
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC=CC(OCC3CC3)=C2)S1	REAL300004076234	1	40	-2.0	-106.72	362.46	7.95	-98.77
O=C([O-])CC1=CN=C([N-]C(=O)C2CCOC3(CCCCC3)C2)S1	REAL300004076236	1	43	-2.0	-105.39	346.99	6.45	-98.94
CC(C)N1C=C(C2CC2C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=N1	REAL300004076237	1	39	-2.0	-107.30	352.01	6.69	-100.61
O=C([O-])CC1=CN=C([N-]C(=O)CC2CC3(CCC3)CO2)S1	REAL300004076238	1	37	-2.0	-109.70	322.90	5.89	-103.81
O=C([O-])CC1=CN=C([N-]C(=O)C2CCC3(CCOCC3)O2)S1	REAL300004076244	1	38	-2.0	-108.43	327.91	4.57	-103.86
O=C([O-])CC1=CN=C([N-]C(=O)CC(C2=CC=C(F)C(F)=C2)C2CC2)S1	REAL300004076245	1	39	-2.0	-100.86	358.67	8.98	-91.88
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC2=CC=CC=C21	REAL300004076246	1	38	-2.0	-109.22	338.24	8.79	-100.43
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)C1=CC=CC=C1Cl	REAL300004076247	1	32	-2.0	-104.82	310.03	7.10	-97.72
CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1C=CC(C2CC2)=N1	REAL300004076250	1	36	-2.0	-101.33	328.75	6.01	-95.32
O=C([O-])CC1=CN=C([N-]C(=O)C(C2=CC=C(F)C=C2)C2CC2)S1	REAL300004076253	1	36	-2.0	-102.02	330.75	8.86	-93.16
CC12CC3(C)CC(F)(C1)CC(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)(C2)C3	REAL300004076257	1	46	-2.0	-110.51	368.08	8.40	-102.11
CC1=CC(C(F)(F)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CS1	REAL300004076258	0	29	-2.0	-102.57	302.44	6.04	-96.53
CN1C=C(C(F)(F)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=N1	REAL300004076259	0	29	-2.0	-104.04	294.09	4.07	-99.97
COC1=CC([C@@H](C)CC(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=CC=C1C	REAL300004076263	1	42	-2.0	-104.11	363.83	7.42	-96.69
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076265	1	42	-2.0	-104.61	372.55	7.57	-97.04
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C=N1	REAL300004076266	1	42	-2.0	-107.17	374.64	7.70	-99.47
O=C([O-])CC1=CN=C([N-]C(=O)C2CC3CCCCCCC32)S1	REAL300004076267	1	42	-2.0	-106.71	330.85	7.66	-99.05
O=C([O-])CC1=CN=C([N-]C(=O)C2CCCC3(CCC3)C2)S1	REAL300004076268	1	39	-2.0	-107.09	325.44	7.36	-99.73
CC1CC(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CCS1	REAL300004076270	1	33	-2.0	-101.64	301.83	6.18	-95.46
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@H]2C2=CN(C3=CC=CC=C3)N=C2)S1	REAL300004076271	1	40	-2.0	-108.94	367.82	8.71	-100.23
O=C([O-])CC1=CN=C([N-]C(=O)C2(C3=CC=NC=C3)CC2)S1	REAL300004076273	1	32	-2.0	-105.65	295.75	6.51	-99.14
CC(C)(C(=O)[N-]C1=NC=C(CC(=O)[O-])S1)N1C=CC(C2CC2)=N1	REAL300004076274	1	39	-2.0	-106.12	349.78	6.73	-99.39
CCCCC[C@@H](O)CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076275	1	38	-2.0	-105.88	336.08	4.60	-101.28
O=C([O-])CC1=CN=C([N-]C(=O)CC2CCS(=O)(=O)CC2)S1	REAL300004076276	1	35	-2.0	-107.27	317.92	2.44	-104.83
COC12CCC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)(CC1)C2	REAL300004076278	1	37	-2.0	-106.99	319.23	4.75	-102.24
O=C([O-])CC1=CN=C([N-]C(=O)C23CC4CC(CC(C4)O2)C3)S1	REAL300004076279	1	38	-2.0	-112.76	313.84	5.40	-107.36
O=C([O-])CC1=CN=C([N-]C(=O)C2(C3=CC=CS3)CCOCC2)S1	REAL300004076280	1	37	-2.0	-103.19	331.63	6.07	-97.12
O=C([O-])CC1=CN=C([N-]C(=O)C2CCC3=C(C2)C(C(F)(F)F)=NN3)S1	REAL300004076281	1	36	-2.0	-106.27	336.71	5.11	-101.16
CC1=CC=C(C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C2CC2)C=C1	REAL300004076283	1	39	-2.0	-106.44	345.75	9.47	-96.97
CC1=CC(F)=CC=C1C1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004076285	1	36	-2.0	-103.94	330.28	7.83	-96.11
CC1=CC=C(F)C=C1C1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004076286	1	36	-2.0	-105.47	331.61	7.82	-97.65
O=C([O-])CC1=CN=C([N-]C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CC2)S1	REAL300004076287	1	35	-2.0	-103.69	328.76	8.96	-94.73
CC1CC(C)(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC(C)O1	REAL300004076291	1	39	-2.0	-105.78	328.44	5.15	-100.63
O=C([O-])CC1=CN=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CC(F)(F)C2)S1	REAL300004076292	1	36	-2.0	-103.46	350.31	8.48	-94.98
O=C([O-])CC1=CN=C([N-]C(=O)[C@]23COC[C@H]2C3(F)F)S1	REAL300004076294	1	28	-2.0	-103.59	277.23	3.25	-100.34
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076295	0	32	-2.0	-101.39	309.97	6.73	-94.66
CCC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076296	0	35	-2.0	-106.30	320.70	7.23	-99.07
O=C([O-])CC1=CN=C([N-]C(=O)CC(C2=CC=CC=C2)N2C=NN=N2)S1	REAL300004076297	1	37	-2.0	-107.37	343.02	6.42	-100.95
O=C([O-])CC1=CN=C([N-]C(=O)CC2=C3NC=CC=C3N=C2)S1	REAL300004076298	1	32	-2.0	-122.10	305.80	4.33	-117.77
COC1=C2NC=C(CC(=O)[N-]C3=NC=C(CC(=O)[O-])S3)C2=CC=C1	REAL300004076299	1	37	-2.0	-109.79	340.86	5.48	-104.31
O=C([O-])CC1=CN=C([N-]C(=O)C2=C3CCCCC3=NNC2=O)S1	REAL300004076310	1	35	-2.0	-116.38	312.34	4.01	-112.37
CC1=CN2CC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CCC2=N1	REAL300004076315	1	36	-2.0	-100.31	322.11	6.18	-94.13
O=C([O-])CC1=CN=C([N-]C(=O)C23CC(C(F)(F)F)(C2)CO3)S1	REAL300004076327	1	31	-2.0	-102.21	304.79	3.96	-98.25
CC1=C(F)C=CC=C1C1(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004076333	1	36	-2.0	-107.59	329.77	7.77	-99.82
O=C([O-])CC1=CN=C([N-]C(=O)C2(C3=CC=CS3)CCCC2)S1	REAL300004076334	1	36	-2.0	-106.42	325.83	7.87	-98.55
O=C([O-])CC1=CN=C([N-]C(=O)C(C2=CC=CS2)C2CCCCC2)S1	REAL300004076335	1	42	-2.0	-106.49	367.01	9.00	-97.49
O=C([O-])CC1=CN=C([N-]C(=O)CCC(=O)C2=CC=C3CCCCC3=C2)S1	REAL300004076336	1	44	-2.0	-105.33	383.79	9.26	-96.07
C=C(C)[C@@H]1OCCC[C@H]1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076337	1	37	-2.0	-102.33	321.54	5.15	-97.18
O=C([O-])CC1=CN=C([N-]C(=O)CC2=CC(Cl)=CC(Br)=C2)S1	REAL300004076340	1	29	-2.0	-99.48	317.46	7.26	-92.22
CN1N=C(C(F)(F)F)C=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076342	1	32	-2.0	-100.56	321.06	4.64	-95.92
CCC1=CN2CCC(C(=O)[N-]C3=NC=C(CC(=O)[O-])S3)CC2=N1	REAL300004076343	1	39	-2.0	-107.61	343.51	6.96	-100.65
O=C([O-])CC1=CN=C([N-]C(=O)CC2CCCC3CCCCC23)S1	REAL300004076344	1	45	-2.0	-105.66	350.18	8.34	-97.32
CC1(C)[C@H](C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)[C@@H]1C(F)F	REAL300004076348	1	32	-2.0	-107.85	289.14	5.84	-102.01
CC(CC1=CC=NC=C1)C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076353	1	34	-2.0	-102.88	312.16	5.67	-97.21
O=C([O-])CC1=CN=C([N-]C(=O)C2CCCN3C=NN=C23)S1	REAL300004076355	1	32	-2.0	-118.63	293.85	6.34	-112.29
CC1=CC=CC(C(O)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004076356	1	33	-2.0	-103.66	308.74	4.82	-98.84
O=C([O-])CC1=CN=C([N-]C(=O)C2(CC3=CC=C(O)C=C3)CC2)S1	REAL300004076357	1	37	-2.0	-110.92	331.14	6.69	-104.23
O=C([O-])CC1=CN=C([N-]C(=O)C(O)CC2=CC=CC=C2)S1	REAL300004076363	1	33	-2.0	-102.84	311.11	4.80	-98.04
CC1CCCC(O)(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004076366	1	39	-2.0	-103.77	317.44	4.25	-99.52
CC(C)(C)C1CCC(C(O)C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)CC1	REAL300004076367	1	48	-2.0	-102.89	369.40	6.93	-95.96
O=C([O-])CC1=CN=C([N-]C(=O)CCC(=O)C2=CC=C(Cl)C=C2)S1	REAL300004076368	1	34	-2.0	-102.04	337.76	7.29	-94.75
CCC1=NNC(CC)=C1CC(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076372	1	38	-2.0	-105.78	340.09	5.09	-100.69
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H](O)CC2=CC3=CC=CC=C3C=C2)S1	REAL300004076374	1	39	-2.0	-104.94	357.18	7.06	-97.88
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C=C2)S1	REAL300004076375	1	33	-2.0	-104.36	324.06	8.01	-96.35
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)S1	REAL300004076377	1	33	-2.0	-107.41	307.33	7.49	-99.92
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC(Br)=C2)S1	REAL300004076379	1	33	-2.0	-104.48	328.63	8.10	-96.38
O=C([O-])CC1=CN=C([N-]C(=O)C2CCC3=NN=CN3C2)S1	REAL300004076380	1	32	-2.0	-98.99	294.72	6.27	-92.72
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)S1	REAL300004076381	1	33	-2.0	-107.41	307.33	7.49	-99.92
O=C([O-])CC1=CN=C([N-]C(=O)[C@H]2C[C@@H]2C2=CC=CC=C2)S1	REAL300004076384	1	33	-2.0	-107.20	307.35	7.49	-99.71
CC1C(C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)C1C1=CC=CC=C1	REAL300004076385	1	36	-2.0	-107.22	324.80	8.03	-99.19
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(OC(F)(F)F)C=C2)S1	REAL300004076386	1	37	-2.0	-103.55	353.32	7.28	-96.27
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)[N-]C1=NC=C(CC(=O)[O-])S1	REAL300004076387	1	39	-2.0	-108.04	344.79	8.71	-99.33
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2F)S1	REAL300004076389	1	33	-2.0	-112.69	312.86	7.52	-105.17
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@H]2C2=CC=CC(O)=C2)S1	REAL300004076390	1	34	-2.0	-109.70	318.36	4.63	-105.07
O=C([O-])CC1=CN=C([N-]C(=O)C23CC(C2)CN3C2CC2)S1	REAL300004076391	1	36	-2.0	-109.53	311.67	4.81	-104.72
O=C([O-])CC1=CN=C([N-]C(=O)[C@H]2C[C@H](N3C=NN=C3)C2)S1	REAL300004076392	1	32	-2.0	-102.59	299.34	7.16	-95.43
COC1=CC=CC([C@@H]2C[C@H]2C(=O)[N-]C2=NC=C(CC(=O)[O-])S2)=C1	REAL300004076393	1	37	-2.0	-110.54	336.84	6.79	-103.75
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C(Cl)=C2)S1	REAL300004076394	1	33	-2.0	-102.25	339.26	8.46	-93.79
O=C([O-])CC1=CN=C([N-]C(=O)[C@@H]2C[C@H]2C2=CC=C(Br)C=C2)S1	REAL300004076395	1	33	-2.0	-104.29	328.63	8.11	-96.18
CCC1=CSC([N-]C(=O)C2CCCN2S(=O)(=O)C2=CC=C(C(=O)[O-])O2)=N1	REAL300004076452	1	41	-2.0	-107.05	377.60	4.04	-103.01
CCC1=CSC([N-]C(=O)CCC2=CC=C(C(=O)[O-])C=C2)=N1	REAL300004076456	1	35	-2.0	-91.74	319.06	6.97	-84.77
CCC1=CSC([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300004076458	1	37	-2.0	-90.54	351.71	1.88	-88.66
CCC1=CSC([N-]C(=O)CCC2=CC=CC=C2C(=O)[O-])=N1	REAL300004076464	1	35	-2.0	-114.57	310.47	6.70	-107.87
CCC1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300004076468	1	39	-2.0	-91.24	318.57	6.37	-84.87
CCC1=CSC([N-]C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300004076471	1	42	-2.0	-104.67	351.89	8.38	-96.29
CCC1=CSC([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)=N1	REAL300004076473	1	38	-2.0	-106.03	341.30	6.07	-99.96
CCC1=CSC([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)=N1	REAL300004076476	1	32	-2.0	-110.41	305.78	1.13	-109.28
CCC1=CSC([N-]C(=O)CCCN2C=CC(C(=O)[O-])=N2)=N1	REAL300004076477	1	35	-2.0	-109.63	322.69	5.02	-104.61
CCC1=CSC([N-]C(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])=N1	REAL300004076478	1	37	-2.0	-123.33	304.53	6.48	-116.85
CCC1=CSC([N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)=N1	REAL300004076479	1	36	-2.0	-118.36	319.06	7.36	-111.00
CCC1=CSC([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300004076481	1	36	-2.0	-105.92	331.01	7.62	-98.30
CCC1=CSC([N-]C(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)=N1	REAL300004076485	1	33	-2.0	-92.50	307.06	5.99	-86.51
CCC1=CSC([N-]C(=O)CCC2=CC=CN=C2C(=O)[O-])=N1	REAL300004076490	1	34	-2.0	-116.15	306.60	4.94	-111.21
CCC1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C=C2C)=N1	REAL300004076497	1	35	-2.0	-96.58	314.37	6.62	-89.96
CCC1=CSC([N-]C(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300004076498	1	32	-2.0	-96.68	302.20	6.18	-90.50
CCC1=CSC([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)=N1	REAL300004076500	1	39	-2.0	-91.24	318.57	6.37	-84.87
CC1(C)CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])N=N1)=N2	REAL300004076764	1	38	-2.0	-108.01	333.44	4.71	-103.30
CC1(C)CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)C3)=N2	REAL300004076772	1	40	-2.0	-102.64	334.98	7.60	-95.04
CC1(C)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CCC1)=N2	REAL300004076773	1	39	-2.0	-121.92	319.04	7.04	-114.88
CC1(C)CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)C3)=N2	REAL300004076775	1	46	-2.0	-106.12	365.38	8.40	-97.72
CC1(C)CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)=N2	REAL300004076776	1	49	-2.0	-98.82	377.11	8.93	-89.89
CC1(C)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CCCC1)=N2	REAL300004076782	1	42	-2.0	-124.22	336.57	7.65	-116.57
CC1(C)CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])C=N1)=N2	REAL300004076786	1	39	-2.0	-106.64	338.29	6.19	-100.45
CC1(C)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC3(CCC3)C1)=N2	REAL300004076788	1	46	-2.0	-125.16	363.39	8.75	-116.41
CC1(C)CCC2=C(C1)SC([N-]C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)=N2	REAL300004076790	1	48	-2.0	-115.47	399.88	8.62	-106.85
C[C@@H]1C[C@H](C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)O[C@H]1C(=O)[O-]	REAL300004076794	1	43	-2.0	-113.53	353.89	7.50	-106.03
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300004076795	1	44	-2.0	-110.44	351.53	7.58	-102.86
CC1(C)CCC2=C(C1)SC([N-]C(=O)COCC1=C(C(=O)[O-])N=CO1)=N2	REAL300004076800	1	42	-2.0	-120.47	364.34	3.72	-116.75
CC1(C)CCC2=C(C1)SC([N-]C(=O)CN1C=CC(C(=O)[O-])=N1)=N2	REAL300004076806	1	39	-2.0	-121.85	337.65	6.21	-115.64
CC1(C)CCC2=C(C1)SC([N-]C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)=N2	REAL300004076809	1	46	-2.0	-110.95	375.39	7.93	-103.02
CC1(C)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)=N2	REAL300004076817	1	46	-2.0	-123.80	373.01	10.10	-113.70
CC1(C)CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)=N2	REAL300004076819	1	46	-2.0	-114.98	389.59	10.17	-104.81
CC1(C)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC=CC1)=N2	REAL300004076834	1	40	-2.0	-124.35	328.72	7.55	-116.80
C[C@]1(C(=O)[N-]C2=NC3=C(CC(C)(C)CC3)S2)C[C@H]1C(=O)[O-]	REAL300004076840	1	39	-2.0	-133.46	325.16	7.45	-126.01
CC1(C)CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)CO3)=N2	REAL300004076847	1	41	-2.0	-103.39	342.35	5.55	-97.84
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC(C)(C)CC2)S1	REAL300004076849	1	39	-2.0	-121.29	321.26	7.42	-113.87
CC1(C)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC3(CCC3)C1)=N2	REAL300004076850	1	46	-2.0	-125.16	363.39	8.75	-116.41
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CC1=CC(C)=NN1C(C)CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077779	1	45	-2.0	-96.43	378.30	7.02	-89.41
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CC(C)(C)C1=NOC(CCCC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=N1	REAL300004077885	1	49	-2.0	-98.44	413.90	6.12	-92.32
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CCC1=NOC(CCCC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=N1	REAL300004077887	1	43	-2.0	-98.11	373.66	5.12	-92.99
CC1=CC(NC(=O)C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=NO1	REAL300004077888	0	36	-2.0	-95.61	327.23	4.09	-91.52
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CCCC1=NOC(CCCC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=N1	REAL300004077898	1	46	-2.0	-98.03	395.16	5.89	-92.14
COC1=CC=C2C(=C1)C=CN2CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077899	1	44	-2.0	-97.02	380.42	8.10	-88.92
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CC(OC1=CC=CC(Cl)=C1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077904	1	40	-2.0	-96.47	361.23	8.21	-88.26
CC(C)CCSCC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077908	1	42	-2.0	-95.06	362.79	7.75	-87.31
CCCCOC(C)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077909	1	42	-2.0	-96.45	355.79	6.85	-89.60
C=CCCOC(C)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077910	1	40	-2.0	-96.44	347.10	6.63	-89.81
CC(C)CCOC(C)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077911	1	45	-2.0	-96.41	373.36	7.37	-89.04
CC(OCC1CCCCO1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077912	1	47	-2.0	-99.55	387.47	6.62	-92.93
CC(OCC1CCCO1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077913	1	44	-2.0	-102.87	369.57	5.74	-97.13
CC(OCC1CC1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077914	1	40	-2.0	-97.41	344.16	6.84	-90.57
CC1=CC=C(CCCCC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=C1	REAL300004077915	1	48	-2.0	-95.99	403.51	10.37	-85.62
CC1=CC=CC(OCCCCC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=C1	REAL300004077916	1	49	-2.0	-96.44	411.98	9.18	-87.26
CC(C)OC1=CC=CC(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=C1	REAL300004077917	1	46	-2.0	-96.61	386.99	8.17	-88.44
CN1C=C(C2CC2C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=N1	REAL300004077919	1	40	-2.0	-99.37	350.37	6.50	-92.87
COCCOCCC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077920	1	40	-2.0	-96.07	346.85	3.64	-92.43
CC(CC1=CC=CC(F)=C1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077921	1	42	-2.0	-96.11	361.93	8.68	-87.43
CC(CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077922	1	42	-2.0	-94.04	361.93	8.68	-85.36
O=C(CCC1=CSC=N1)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077923	1	35	-2.0	-98.17	323.40	5.15	-93.02
O=C(CNC(=O)CC1CCCCC1)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077924	1	49	-2.0	-94.47	396.51	6.09	-88.38
CC(NC(=O)CC1CCCCC1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077925	1	52	-2.0	-94.79	417.08	6.95	-87.84
CC(CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)NC(=O)C1CCCC1	REAL300004077926	1	49	-2.0	-99.23	401.93	6.51	-92.72
CC(C)(C)CC(=O)N1CCCC1C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077929	1	52	-2.0	-108.58	412.06	8.45	-100.13
CC1=CC=CC=C1C(C)(C)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077930	1	45	-2.0	-96.84	359.94	8.60	-88.24
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)CCC1=CC=CC(F)=C1F)S2	REAL300004077931	1	39	-2.0	-99.27	350.86	8.22	-91.05
CC1=NN(C)C(C)=C1C(C)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077932	1	45	-2.0	-100.48	368.18	6.44	-94.04
O=C(COCC1CCCO1)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077933	1	41	-2.0	-101.41	349.35	5.04	-96.37
CC1=CN(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C2=CC=CC=C12	REAL300004077935	1	43	-2.0	-98.13	372.78	9.48	-88.65
CC1=CC=C2C(CC(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)=CNC2=C1	REAL300004077936	1	43	-2.0	-101.61	370.99	8.04	-93.57
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)CC1=CNC3=CC(Cl)=CC=C13)S2	REAL300004077937	1	40	-2.0	-97.98	366.33	7.88	-90.10
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)CC1=CC(Cl)=CC=C1Cl)S2	REAL300004077938	1	36	-2.0	-94.77	348.67	8.27	-86.50
CC1CCCC(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C1	REAL300004077939	1	45	-2.0	-95.95	351.35	8.00	-87.95
CC(CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1CCCCC1	REAL300004077940	1	48	-2.0	-95.35	372.40	8.72	-86.63
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)CCCOC1=CC=CC=C1Cl)S2	REAL300004077942	1	43	-2.0	-98.56	385.11	8.28	-90.28
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CCN1C=C(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C2=CC=CC=C21	REAL300004077946	1	46	-2.0	-102.40	393.92	10.01	-92.39
CC(C)(NS(C)(=O)=O)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077949	1	40	-2.0	-92.02	340.60	1.66	-90.36
CC1=C2NC=C(CCC(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)C2=CC=C1	REAL300004077951	1	46	-2.0	-100.68	392.25	8.84	-91.84
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)CC=CC1=CC=C(F)C=C1)S2	REAL300004077953	1	40	-2.0	-94.87	355.16	8.71	-86.16
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)CNC(=O)C1=CC3=CC=CC=C3N1)S2	REAL300004077957	1	44	-2.0	-95.24	385.80	5.09	-90.15
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CC1C1CCCCC1)S2	REAL300004077958	1	46	-2.0	-99.80	365.46	8.95	-90.85
CC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1=CC=CC(F)=C1	REAL300004077964	1	39	-2.0	-94.08	341.04	7.94	-86.14
CC1=NN(C)C(C)=C1CC(C)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077966	1	48	-2.0	-98.25	393.10	7.20	-91.05
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CCC(C3=CC=CC=C3)CC1)S2	REAL300004077967	1	49	-2.0	-101.35	390.58	10.20	-91.15
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)CCCOC1=CC=C(F)C=C1F)S2	REAL300004077969	1	43	-2.0	-97.43	381.71	7.85	-89.58
CCCC(C)CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004077971	1	41	-2.0	-94.76	335.65	7.14	-87.62
CS(=O)(=O)C1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CCCC1	REAL300004077972	1	42	-2.0	-94.89	354.48	4.67	-90.22
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COC1=CC=CC=C1C(C)(C)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004078106	1	46	-2.0	-101.10	375.09	8.59	-92.51
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CC(C)(C)C1CCC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004078116	1	51	-2.0	-97.75	382.12	8.74	-89.01
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CC(C)(C)OC(=O)N1CCCC1C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004078120	1	50	-2.0	-108.03	407.04	7.00	-101.03
CCC(OC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004078121	1	43	-2.0	-98.70	359.38	8.36	-90.34
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CCC1=CC=CC(OCC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=C1	REAL300004078124	1	43	-2.0	-98.11	369.52	8.57	-89.54
CCC1=CC=C2C(CC(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)=COC2=C1	REAL300004078125	1	45	-2.0	-99.30	388.48	9.13	-90.17
CC(C)C1=CC=CC=C1OCC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004078127	1	46	-2.0	-99.46	385.24	9.10	-90.36
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CC12CC3CC(C)(C1)CC(C(=O)[N-]C1=NC4=C(CCC(C(=O)[O-])C4)S1)(C3)C2	REAL300004078130	1	53	-2.0	-101.91	400.23	9.55	-92.36
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CC(NC(=O)OC(C)(C)C)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004078133	1	46	-2.0	-93.19	382.93	4.38	-88.81
CC(C)C(NC(=O)OC(C)(C)C)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004078134	1	52	-2.0	-93.04	416.70	6.66	-86.38
CC(C)(C)OC(=O)NCC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004078135	1	43	-2.0	-93.11	362.08	3.46	-89.65
CCCC(CCC)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004078136	1	44	-2.0	-95.32	355.74	8.70	-86.62
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CC(C)(C)OC(=O)NC(C)(C)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004078142	1	49	-2.0	-92.08	395.60	4.85	-87.23
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CC(OC1=CC=C2CCCC2=C1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004078254	1	47	-2.0	-98.97	390.01	9.60	-89.37
CC(SC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004078256	1	40	-2.0	-98.33	360.27	8.53	-89.80
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COC1=CC=C(SCC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=C1	REAL300004078291	1	41	-2.0	-96.16	365.70	7.08	-89.08
COC1=CC=C(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=C1[N+](=O)[O-]	REAL300004078294	1	42	-2.0	-99.07	373.24	8.06	-91.01
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CCC(SC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004078309	1	43	-2.0	-97.43	374.16	8.95	-88.48
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CCOC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C(C)C	REAL300004079051	1	42	-2.0	-96.92	346.26	7.25	-89.67
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CC1C(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C1C1CC1	REAL300004079079	1	40	-2.0	-99.60	340.69	7.84	-91.76
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CC1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC2CCC1C2	REAL300004079084	1	43	-2.0	-99.32	338.55	7.62	-91.70
CC1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CCC(F)(F)CC1	REAL300004079085	1	42	-2.0	-92.41	343.99	7.38	-85.03
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CC1COC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C1	REAL300004079253	1	37	-2.0	-98.43	314.31	5.45	-92.98
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COC1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CCCC1	REAL300004079259	1	40	-2.0	-97.18	327.19	5.30	-91.88
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COC1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CCSC1	REAL300004079277	1	38	-2.0	-96.76	328.74	4.82	-91.94
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CC12CC3CC(C1)CC(C(=O)[N-]C1=NC4=C(CCC(C(=O)[O-])C4)S1)(C3)C2	REAL300004079280	1	50	-2.0	-101.27	380.06	9.06	-92.21
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CN1CCCC[C@H]1C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079287	1	41	-2.0	-97.29	332.27	4.45	-92.84
C[C@@H]1CC=CC[C@H]1C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079290	1	40	-2.0	-97.61	330.06	7.21	-90.40
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CC1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CCCS1(=O)=O	REAL300004079295	1	39	-2.0	-105.26	336.65	4.12	-101.14
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CCCCC1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004079310	1	42	-2.0	-98.83	351.71	8.08	-90.75
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COC1=CC=CC(CC(C)CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=C1	REAL300004079325	1	49	-2.0	-97.85	402.76	8.63	-89.22
CC(C)C1CC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CCO1	REAL300004079326	1	46	-2.0	-95.76	362.54	6.58	-89.18
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CC1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=CCC1	REAL300004079331	1	37	-2.0	-96.34	313.05	6.68	-89.66
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CC1=CC=C2OC(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)CCC2=C1	REAL300004079393	1	44	-2.0	-99.79	371.48	8.91	-90.88
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COCC(C)CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079422	1	39	-2.0	-95.49	328.86	4.83	-90.66
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CC1=NC=CC(CCC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=N1	REAL300004079430	1	40	-2.0	-97.66	350.11	6.12	-91.54
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CC1=CC(C)=NN1CCC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079444	1	42	-2.0	-96.94	361.78	6.36	-90.58
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CN1CCCC1C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079454	1	38	-2.0	-98.75	318.51	3.81	-94.94
CC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)N1C=NC=N1	REAL300004079464	1	35	-2.0	-90.08	310.13	6.26	-83.82
CCCC(OC)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079470	1	39	-2.0	-95.53	333.58	5.95	-89.58
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CCC1CC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CCO1	REAL300004079484	1	43	-2.0	-95.74	352.87	6.06	-89.68
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COC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1=CN(C)N=C1	REAL300004079490	1	40	-2.0	-99.11	353.57	5.12	-93.99
CC(C)(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)S(=O)(=O)C1CC1	REAL300004079491	1	42	-2.0	-110.15	364.22	4.24	-105.91
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CC1CCC(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004079496	1	45	-2.0	-95.93	351.35	8.00	-87.93
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CC1(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CCCC1	REAL300004079583	1	42	-2.0	-95.35	335.40	7.43	-87.92
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CC(C)(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1CC1	REAL300004079586	1	39	-2.0	-96.91	321.66	6.82	-90.09
COC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C(C)C	REAL300004079587	1	39	-2.0	-95.04	327.05	6.61	-88.43
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CSC1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CCC1	REAL300004079590	1	37	-2.0	-96.55	326.88	6.72	-89.83
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CC(OC1=CC=CN=C1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079608	1	39	-2.0	-96.90	339.30	5.99	-90.91
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CCC(SC)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079613	1	36	-2.0	-96.41	317.87	6.39	-90.02
CC(CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)N1C=CC=N1	REAL300004079618	1	39	-2.0	-95.75	334.66	5.79	-89.96
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CC1CC2=CNN=C2C(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C1	REAL300004079628	1	43	-2.0	-106.57	357.83	6.15	-100.42
CC1=NOC(C2(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)CC2)=C1	REAL300004079629	1	39	-2.0	-92.95	341.08	7.50	-85.45
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CC(C)(C)OCC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079638	1	39	-2.0	-97.34	326.57	5.70	-91.64
CCS(=O)(=O)NCC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079641	1	37	-2.0	-98.84	335.65	0.73	-98.11
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CC(O)(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1CC1	REAL300004079666	1	37	-2.0	-95.36	316.14	3.48	-91.88
CCC(O)(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1=CC=CC(Cl)=C1	REAL300004079667	1	43	-2.0	-96.50	374.85	5.86	-90.64
CCCC(C)(O)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079668	1	39	-2.0	-94.87	327.31	3.16	-91.71
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COC1=CC=CN=C1CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079676	1	39	-2.0	-103.84	341.06	4.85	-98.99
CN(C)C(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1=CN=CN1C	REAL300004079678	1	44	-2.0	-93.79	351.69	5.09	-88.70
CN1N=NC2=C1CC(C(=O)[N-]C1=NC3=C(CCC(C(=O)[O-])C3)S1)CC2	REAL300004079679	1	42	-2.0	-94.62	353.83	5.43	-89.19
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CN1C=C(C(O)C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=N1	REAL300004079681	1	37	-2.0	-96.25	330.00	2.96	-93.29
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CN1CCOC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C1	REAL300004079690	1	39	-2.0	-97.52	328.09	3.00	-94.52
CCN1N=C(C)C(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=C1C	REAL300004079691	1	45	-2.0	-99.46	380.39	6.94	-92.52
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CSC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300004079696	1	40	-2.0	-95.97	356.25	8.49	-87.48
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COC1=CC=CC(C2(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)CC2)=C1	REAL300004079698	1	44	-2.0	-105.44	368.35	8.78	-96.66
CN(C)S(=O)(=O)NCC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079699	1	39	-2.0	-96.36	348.91	0.18	-96.18
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CC(C)C1=NC=CN1CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004079701	1	42	-2.0	-94.50	360.30	7.22	-87.28
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CC1CCC(C)(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C1	REAL300004081048	1	42	-2.0	-98.23	340.35	7.40	-90.83
CC1=NC=C2CC(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)CCC2=N1	REAL300004081050	1	44	-2.0	-94.50	369.51	6.95	-87.55
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CC1(C)CCOC1CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081074	1	43	-2.0	-100.61	347.89	6.19	-94.42
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CC12CC(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)(C1)C1(CCC1)O2	REAL300004081086	1	45	-2.0	-94.78	365.49	6.70	-88.08
CC12CC(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)(C1)C1(CCOCC1)O2	REAL300004081087	1	49	-2.0	-96.69	386.69	5.39	-91.30
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CCC(CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)OC	REAL300004081139	1	39	-2.0	-96.37	326.40	5.51	-90.86
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CCC(CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1CCC1	REAL300004081142	1	45	-2.0	-95.88	357.59	8.20	-87.68
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CC(=CC1=CC=CS1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081154	1	37	-2.0	-98.34	331.80	7.73	-90.61
NS(=O)(=O)C1CCC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004081155	1	44	-2.0	-108.41	366.67	1.71	-106.70
CSC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1=CC=CC(Cl)=C1	REAL300004081158	1	40	-2.0	-92.93	372.97	9.01	-83.92
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CC(C)[C@@H]1C[C@H]1C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081163	1	39	-2.0	-96.97	330.35	7.12	-89.85
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CCCC1=CC=C(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=C1	REAL300004081166	1	45	-2.0	-96.04	382.39	9.56	-86.48
CC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C(C)C1=CC=C(F)C=C1	REAL300004081168	1	45	-2.0	-94.80	376.03	9.06	-85.74
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CC(=CC1=CC=C(F)C=C1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081173	1	40	-2.0	-96.00	349.69	8.68	-87.32
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CC1(C)CC(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC(C)(C)O1	REAL300004081182	1	52	-2.0	-95.06	403.51	7.87	-87.19
O=C(CCCCCN1C=NN=N1)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081184	1	43	-2.0	-105.01	373.13	6.85	-98.16
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CC(C)C1CC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C1	REAL300004081210	1	42	-2.0	-97.55	345.64	7.57	-89.98
CC1=CC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=NNC1=O	REAL300004081214	1	35	-2.0	-93.39	316.25	2.79	-90.60
CC1CCC(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1C	REAL300004081217	1	48	-2.0	-95.93	375.57	8.71	-87.22
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CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081221	0	39	-2.0	-93.65	348.25	7.91	-85.74
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CC1=NN=NN1C(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1=CC=CC=C1	REAL300004081225	1	44	-2.0	-103.56	382.78	7.12	-96.44
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CC1=CC=C(C=CCC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=C1	REAL300004081227	1	43	-2.0	-97.16	370.15	9.32	-87.84
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CC12CC(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)(C1)OC2	REAL300004081236	1	38	-2.0	-101.25	323.61	4.81	-96.44
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CC(C)(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1=CC=C(F)C(F)=C1	REAL300004081242	1	42	-2.0	-92.15	363.02	8.41	-83.74
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COCC1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC=CCC1	REAL300004081245	1	44	-2.0	-99.70	360.76	6.28	-93.42
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CC1=CC=C(C2CCCCC2C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=C1	REAL300004081248	1	52	-2.0	-97.91	406.01	10.75	-87.16
CCC1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CCCC2=CC=CC=C21	REAL300004081249	1	49	-2.0	-99.43	385.39	10.06	-89.37
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1(C3CC3)CCCO1)S2	REAL300004081250	1	41	-2.0	-99.24	340.78	6.51	-92.73
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CC12CCC(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)(CO1)C2	REAL300004081281	1	41	-2.0	-96.14	339.33	5.38	-90.76
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COC1=CC=CC(CCC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=N1	REAL300004081291	1	42	-2.0	-98.64	365.49	4.89	-93.75
CC1=CC=CC([C@@H](C)C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=C1	REAL300004081292	1	42	-2.0	-97.43	356.03	8.54	-88.89
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CC[C@H](CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C(C)C	REAL300004081302	1	44	-2.0	-95.76	345.35	7.32	-88.44
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CCC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)N1C=NC=N1	REAL300004081304	1	38	-2.0	-90.18	329.61	7.20	-82.98
CC1=NN(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C(C)=C1C	REAL300004081305	1	42	-2.0	-99.84	360.30	6.41	-93.43
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CC1(C)CCCC(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)O1	REAL300004081313	1	46	-2.0	-100.05	366.56	7.33	-92.72
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COC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1=CC=CN=C1	REAL300004081318	1	39	-2.0	-97.57	344.94	5.58	-91.99
CCSC1CCC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004081319	1	46	-2.0	-98.88	376.31	8.67	-90.21
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CC1=NN=NN1CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081336	1	34	-2.0	-94.59	308.56	3.75	-90.84
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CC1(C)COCCC1C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081349	1	43	-2.0	-94.89	338.52	5.51	-89.38
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CC1(C)CCCOC1CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081355	1	46	-2.0	-99.33	362.75	7.02	-92.31
CC1=NN(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)N=N1	REAL300004081357	1	34	-2.0	-95.53	310.01	3.37	-92.16
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CC(C)(C)N1C=C(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=N1	REAL300004081366	1	45	-2.0	-98.43	380.77	7.14	-91.29
CC(CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1=CC=C(F)C(F)=C1	REAL300004081367	1	42	-2.0	-93.31	365.24	8.68	-84.63
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CC1=NNC2=C1CC(C(=O)NC1=NC3=C(CCC(C(=O)[O-])C3)S1)CC2	REAL300004081371	0	43	-2.0	-96.33	358.72	6.00	-90.33
CC1=NNC2=C1CC(C(=O)[N-]C1=NC3=C(CCC(C(=O)[O-])C3)S1)CC2	REAL300004081371	1	43	-2.0	-96.33	358.72	6.00	-90.33
CC(C)(OC1=C(F)C=CC=C1F)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081373	1	43	-2.0	-105.54	370.72	8.33	-97.21
CC1=CC(C(F)(F)F)=CC=C1CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081375	1	42	-2.0	-93.12	373.22	8.80	-84.32
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CCCCOC1=CC=C(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=C1	REAL300004081402	1	49	-2.0	-95.89	412.06	9.13	-86.76
CC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1CCOC1	REAL300004081405	1	40	-2.0	-93.84	330.21	5.01	-88.83
CCCC(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081406	1	51	-2.0	-98.84	416.99	10.95	-87.89
CCC(C)(C)C1CCC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004081407	1	54	-2.0	-98.06	396.35	9.23	-88.83
COC1CC2(C1)CCC(C(=O)[N-]C1=NC3=C(CCC(C(=O)[O-])C3)S1)CC2	REAL300004081408	1	50	-2.0	-97.24	397.16	7.52	-89.72
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CCC(CCC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081412	1	48	-2.0	-98.97	395.19	10.18	-88.79
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CC1CCOC1CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081418	1	40	-2.0	-100.26	328.15	5.67	-94.59
COC1CC(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C1(C)C	REAL300004081420	1	46	-2.0	-95.86	374.89	6.48	-89.38
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CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081428	1	51	-2.0	-95.84	373.05	8.83	-87.01
COC1=CC=CC=C1OC(C)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081431	1	44	-2.0	-103.34	373.76	7.44	-95.90
CC1=C(Cl)C=NN1CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081432	1	36	-2.0	-94.49	335.17	5.69	-88.80
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CC(C)C(C)C(C)CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081447	1	47	-2.0	-95.56	363.33	7.85	-87.71
COC1CC2(C1)CC(C(=O)[N-]C1=NC3=C(CCC(C(=O)[O-])C3)S1)C2	REAL300004081448	1	44	-2.0	-96.82	368.06	6.49	-90.33
CC(C)OCC1=CC=CC=C1CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081450	1	49	-2.0	-97.49	409.10	8.81	-88.68
CC1(C)CCC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CO1	REAL300004081451	1	43	-2.0	-95.60	345.63	5.65	-89.95
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CCCCC13CCC3)S2	REAL300004081452	1	46	-2.0	-98.46	354.16	8.40	-90.06
CC12CC(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)(CO1)CCC2	REAL300004081453	1	44	-2.0	-96.70	350.85	5.93	-90.77
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@@H]1CCCC[C@H]1C1=CC=CC=C1)S2	REAL300004081454	1	49	-2.0	-97.23	392.74	10.21	-87.02
CC1(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CCCO1	REAL300004081459	1	40	-2.0	-97.00	324.94	5.99	-91.01
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CC1(F)F)S2	REAL300004081460	1	30	-2.0	-94.09	279.70	5.32	-88.77
CC1(C)C(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C1(F)F	REAL300004081461	1	36	-2.0	-95.20	315.05	6.43	-88.77
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1C(F)(F)C13CCC3)S2	REAL300004081463	1	37	-2.0	-96.69	326.43	7.21	-89.48
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CCC3(CC3(F)F)CC1)S2	REAL300004081466	1	43	-2.0	-100.14	356.61	8.18	-91.96
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CC3(CC3(F)F)C1)S2	REAL300004081467	1	37	-2.0	-96.65	330.35	7.20	-89.45
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1(C3CCOCC3)CC1(F)F)S2	REAL300004081468	1	44	-2.0	-98.21	366.64	7.04	-91.17
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1(C3CCC3)CC1(F)F)S2	REAL300004081469	1	40	-2.0	-97.10	339.72	8.23	-88.87
CC1=NNC(CCC(=O)NC2=NC3=C(CCC(C(=O)[O-])C3)S2)=C1	REAL300004081470	0	39	-2.0	-94.52	340.94	5.06	-89.46
CC1=NNC(CCC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=C1	REAL300004081470	1	39	-2.0	-94.52	340.94	5.06	-89.46
O=C(CN1N=NC2=CC=CC=C21)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081473	1	38	-2.0	-100.43	341.04	5.42	-95.01
CN1C=NC2=C1CCCC2C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081475	1	43	-2.0	-111.97	358.69	8.39	-103.58
O=C(CC1CC2(CC2)C1)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081480	1	40	-2.0	-95.79	337.90	7.80	-87.99
O=C(CC1=CN=CN=C1)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081482	1	34	-2.0	-93.60	307.34	5.34	-88.26
COC1=CC=C2C(=C1)CCCC2C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081483	1	47	-2.0	-98.93	381.25	9.14	-89.79
CC1=NC=NC2=C1CC(C(=O)[N-]C1=NC3=C(CCC(C(=O)[O-])C3)S1)CC2	REAL300004081485	1	44	-2.0	-93.88	365.61	7.55	-86.33
CCC(C)CC(C)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081486	1	44	-2.0	-95.48	353.55	7.58	-87.90
CC1=NN(C)C(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=C1	REAL300004081487	1	39	-2.0	-96.25	339.91	5.42	-90.83
COC1=CC=CC(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=N1	REAL300004081488	1	39	-2.0	-101.23	343.35	4.31	-96.92
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CCC(OC(F)(F)F)CC1)S2	REAL300004081489	1	43	-2.0	-92.96	368.28	6.38	-86.58
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)CC1=CSC(Cl)=C1)S2	REAL300004081490	1	33	-2.0	-92.75	324.73	6.89	-85.86
CC(CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)CC(F)(F)F	REAL300004081492	1	38	-2.0	-94.27	330.19	6.68	-87.59
CC1(C)CC2(CC2C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C1	REAL300004081493	1	43	-2.0	-98.54	354.04	8.16	-90.38
O=C(CC1CCC2(CCCC2)CC1)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081494	1	52	-2.0	-96.23	395.30	9.72	-86.51
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CCCC13CCC3)S2	REAL300004081495	1	43	-2.0	-99.48	344.37	7.92	-91.56
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CC(C3CCC3)C1)S2	REAL300004081497	1	43	-2.0	-96.89	354.26	8.35	-88.54
O=C(CC1COCC2=CC=CC=C21)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081499	1	44	-2.0	-97.64	363.05	7.20	-90.44
CC1=NN=C2CC(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)CN12	REAL300004081500	1	39	-2.0	-93.84	336.54	6.76	-87.08
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)CC1CCCCCC1(F)F)S2	REAL300004081501	1	45	-2.0	-98.21	354.92	8.00	-90.21
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@@H]1CC1(F)F)S2	REAL300004081502	1	30	-2.0	-95.28	282.55	5.33	-89.95
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@H]1CC1(F)F)S2	REAL300004081503	1	30	-2.0	-93.81	279.37	5.29	-88.52
CC12CC(CC(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)(C1)CO2	REAL300004081504	1	41	-2.0	-96.80	340.40	5.53	-91.27
CC1CC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CCS1(=O)=O	REAL300004081505	1	42	-2.0	-97.82	358.88	3.67	-94.15
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@@H]1C[C@@H]3CCCCC[C@H]13)S2	REAL300004081506	1	46	-2.0	-98.79	354.90	8.26	-90.53
C[C@@H]1C[C@@]2(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)C[C@@H]12	REAL300004081507	1	37	-2.0	-98.62	317.26	6.94	-91.68
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@@H]1C[C@]13CCCC1=CC=CC=C13)S2	REAL300004081508	1	47	-2.0	-98.81	380.73	10.19	-88.62
CCC1=CN2CC(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)CCC2=N1	REAL300004081509	1	46	-2.0	-92.79	381.78	8.10	-84.69
O=C(CCC12CCC(CC1)C2)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081510	1	46	-2.0	-95.55	363.27	8.55	-87.00
CC1(C)CC2=CC=CC(CC(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)=C2O1	REAL300004081513	1	47	-2.0	-104.18	395.08	8.54	-95.64
CC1CCC(OCCCC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004081515	1	52	-2.0	-96.80	415.38	8.56	-88.24
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C(F)C1CCC1)S2	REAL300004081516	1	36	-2.0	-94.29	308.52	6.40	-87.89
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CCC1(C)CCC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)O1	REAL300004081518	1	43	-2.0	-99.29	352.31	6.91	-92.38
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CC3(CCC3)CO1)S2	REAL300004081521	1	41	-2.0	-98.82	341.02	6.60	-92.22
O=C(CC1CCCCC1(F)F)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081523	1	42	-2.0	-95.83	347.52	7.65	-88.18
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CC3(CC(F)C3)C1)S2	REAL300004081525	1	40	-2.0	-94.93	340.19	7.59	-87.34
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C13CC(C1)OC3)S2	REAL300004081526	1	35	-2.0	-95.25	302.07	4.13	-91.12
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C13CCC(C1)S(=O)(=O)CC3)S2	REAL300004081527	1	43	-2.0	-98.37	354.10	3.76	-94.61
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CCCC3=NC=CC=C31)S2	REAL300004081528	1	42	-2.0	-95.99	346.84	8.04	-87.95
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)CCC1=C(F)C=CC=C1Cl)S2	REAL300004081529	1	39	-2.0	-99.86	358.47	8.58	-91.28
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CC3=CSC=C3C1)S2	REAL300004081532	1	37	-2.0	-95.37	331.48	7.37	-88.00
CCC1=CC=CC(CC)=C1CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081534	1	48	-2.0	-97.67	386.14	9.60	-88.07
CC1(C)CCCC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004081535	1	48	-2.0	-96.73	360.34	8.24	-88.49
CC(C)[C@H]1CC[C@@H](C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004081536	1	48	-2.0	-97.89	368.88	8.45	-89.44
O=C(CC1=CC=CC(OCC2CC2)=C1)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081540	1	47	-2.0	-98.80	400.74	9.13	-89.67
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CCOC3(CCCCC3)C1)S2	REAL300004081542	1	50	-2.0	-96.34	385.27	7.64	-88.70
CC(C)N1C=C(C2CC2C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=N1	REAL300004081543	1	46	-2.0	-99.45	390.28	7.88	-91.57
C[C@@H]1OCC[C@@H]1C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081544	1	37	-2.0	-96.96	310.19	4.34	-92.62
CC1(C)CC(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CO1	REAL300004081545	1	43	-2.0	-95.76	354.51	5.95	-89.81
O=C(CC1CC2(CCC2)CO1)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081546	1	44	-2.0	-100.12	361.18	7.05	-93.07
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CCC3(CCOCC3)O1)S2	REAL300004081551	1	45	-2.0	-98.89	364.42	5.60	-93.29
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CCC3(CCC3)O1)S2	REAL300004081552	1	41	-2.0	-99.89	341.93	6.77	-93.12
CC1CCCC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004081553	1	45	-2.0	-96.51	350.83	8.01	-88.50
CC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1=CC=CC2=CC=CC=C21	REAL300004081554	1	45	-2.0	-100.19	376.52	9.97	-90.22
CC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)C1=CC=CC=C1Cl	REAL300004081555	1	39	-2.0	-96.97	348.31	8.29	-88.68
CC(F)(F)[C@@H]1C[C@H]1C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081557	1	36	-2.0	-96.37	321.69	6.66	-89.71
CC(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)N1C=CC(C2CC2)=N1	REAL300004081559	1	43	-2.0	-93.75	367.06	7.20	-86.55
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C(C1=CC=C(F)C=C1)C1CC1)S2	REAL300004081561	1	43	-2.0	-94.05	369.01	10.04	-84.01
CC12CC(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)(C1)CCO2	REAL300004081564	1	41	-2.0	-95.71	336.29	5.50	-90.21
CC1=CC(C(F)(F)C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=CS1	REAL300004081565	0	36	-2.0	-96.17	340.72	7.22	-88.95
CN1C=C(C(F)(F)C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=N1	REAL300004081566	0	36	-2.0	-96.49	332.67	5.26	-91.23
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@@H]1C[C@@H]1C(F)F)S2	REAL300004081567	1	33	-2.0	-101.68	292.68	6.08	-95.60
COC1=CC([C@@H](C)CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=CC=C1C	REAL300004081568	1	49	-2.0	-96.22	402.11	8.61	-87.61
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081569	1	49	-2.0	-96.57	406.12	8.29	-88.28
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=N1	REAL300004081570	1	49	-2.0	-98.67	408.77	8.95	-89.72
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CC3CCCCCCC31)S2	REAL300004081571	1	49	-2.0	-99.84	368.23	8.84	-91.00
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CCCC3(CCC3)C1)S2	REAL300004081572	1	46	-2.0	-97.80	365.06	8.58	-89.22
CC1CC(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CCS1	REAL300004081574	1	40	-2.0	-93.51	340.12	7.36	-86.15
CC1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C=CCCC1	REAL300004081576	1	40	-2.0	-98.40	327.93	7.23	-91.17
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1(C3CCC3)CC1)S2	REAL300004081577	1	40	-2.0	-98.56	329.73	7.73	-90.83
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1(C3=CC=NC=C3)CC1)S2	REAL300004081578	1	39	-2.0	-97.77	334.03	7.69	-90.08
CC(C)(C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1)N1C=CC(C2CC2)=N1	REAL300004081579	1	46	-2.0	-94.62	387.18	7.83	-86.79
CCCCC[C@@H](O)CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081580	1	45	-2.0	-97.11	374.36	5.75	-91.36
O=C(CC1CCS(=O)(=O)CC1)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081581	1	42	-2.0	-99.41	356.19	3.64	-95.77
COC12CCC(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)(CC1)C2	REAL300004081583	1	44	-2.0	-97.39	357.51	5.95	-91.44
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C13CC4CC(CC(C4)O1)C3)S2	REAL300004081584	1	45	-2.0	-104.20	352.12	6.58	-97.62
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1(C3=CC=CS3)CCOCC1)S2	REAL300004081585	1	44	-2.0	-94.91	369.58	7.23	-87.68
COC1CC(CCC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C1	REAL300004081586	1	43	-2.0	-96.95	360.89	6.14	-90.81
CC1=CC=C(C(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C2CC2)C=C1	REAL300004081588	1	46	-2.0	-97.73	384.03	10.65	-87.08
CC1=CC(F)=CC=C1C1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004081590	1	43	-2.0	-95.77	368.19	8.97	-86.80
CC1=CC=C(F)C=C1C1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004081591	1	43	-2.0	-97.35	369.94	9.01	-88.34
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1(C3=CC=C([N+](=O)[O-])C=C3)CC1)S2	REAL300004081592	1	42	-2.0	-97.20	367.06	10.15	-87.05
CC1CC(C)(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC(C)O1	REAL300004081596	1	46	-2.0	-96.84	366.72	6.32	-90.52
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@]13COC[C@H]1C3(F)F)S2	REAL300004081598	1	35	-2.0	-95.54	315.52	4.44	-91.10
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081599	0	39	-2.0	-95.50	348.25	7.91	-87.59
CCC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081600	0	42	-2.0	-99.33	359.15	8.40	-90.93
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)CC(C1=CC=CC=C1)N1C=NN=N1)S2	REAL300004081601	1	44	-2.0	-98.69	381.32	7.61	-91.08
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)CC1=C3NC=CC=C3N=C1)S2	REAL300004081602	1	39	-2.0	-111.59	344.08	5.51	-106.08
COC1=C2NC=C(CC(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)C2=CC=C1	REAL300004081603	1	44	-2.0	-101.56	379.14	6.66	-94.90
O=C(CN1C=NC=N1)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081604	1	32	-2.0	-98.14	292.67	6.21	-91.93
COCC(C)(O)CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081605	1	40	-2.0	-92.66	334.75	3.19	-89.47
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1=C3CCCCC3=NNC1=O)S2	REAL300004081617	1	42	-2.0	-110.15	350.61	5.19	-104.96
CC1=CN2CC(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)CCC2=N1	REAL300004081621	1	43	-2.0	-92.87	360.35	7.35	-85.52
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C13CC(C(F)(F)F)(C1)CO3)S2	REAL300004081632	1	38	-2.0	-95.22	342.85	5.19	-90.03
CC1=C(F)C=CC=C1C1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004081638	1	43	-2.0	-98.41	368.04	8.95	-89.46
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1(C3=CC=CS3)CCCC1)S2	REAL300004081639	1	43	-2.0	-97.75	363.48	9.09	-88.66
N#CC1(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC2CC2C1	REAL300004081640	1	38	-2.0	-95.28	324.91	6.76	-88.52
C=C(C)[C@@H]1OCCC[C@H]1C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081641	1	44	-2.0	-94.58	360.92	6.43	-88.15
CN1N=C(C(F)(F)F)C=C1CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081644	1	39	-2.0	-93.04	359.34	5.83	-87.21
CC1CC(CC(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C(C)O1	REAL300004081645	1	43	-2.0	-93.98	354.32	5.95	-88.03
CCC1=CN2CCC(C(=O)[N-]C3=NC4=C(CCC(C(=O)[O-])C4)S3)CC2=N1	REAL300004081646	1	46	-2.0	-100.07	381.79	8.13	-91.94
O=C(CC1CCCC2CCCCC12)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081647	1	52	-2.0	-96.46	395.48	9.77	-86.69
CC1(C)[C@H](C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)[C@@H]1C(F)F	REAL300004081652	1	39	-2.0	-93.19	332.93	7.26	-85.93
CC(CC1=CC=NC=C1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081656	1	41	-2.0	-94.98	350.43	6.84	-88.14
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1C3C4CC1CC43)S2	REAL300004081657	1	38	-2.0	-98.41	314.92	7.26	-91.15
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CCCN3C=NN=C13)S2	REAL300004081659	1	39	-2.0	-112.79	332.11	7.52	-105.27
CC1=CC=CC(C(O)C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=C1	REAL300004081661	1	40	-2.0	-95.69	347.02	5.96	-89.73
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1(CC3=CC=C(O)C=C3)CC1)S2	REAL300004081662	1	44	-2.0	-100.68	371.44	8.04	-92.64
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C(O)CC1=CC=CC=C1)S2	REAL300004081667	1	40	-2.0	-94.90	349.39	5.92	-88.98
CC1CCCC(O)(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004081671	1	46	-2.0	-94.94	355.72	5.43	-89.51
CC(C)(C)C1CCC(C(O)C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)CC1	REAL300004081672	1	55	-2.0	-95.57	415.63	7.48	-88.09
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)CCC(=O)C1=CC=C(Cl)C=C1)S2	REAL300004081673	1	41	-2.0	-95.50	376.05	8.48	-87.02
O=C(CC1=CN=NS1)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081674	1	31	-2.0	-91.73	296.46	3.99	-87.74
CCC1=NNC(CC)=C1CC(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081677	1	45	-2.0	-97.60	375.76	6.21	-91.39
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@@H](O)CC1=CC3=CC=CC=C3C=C1)S2	REAL300004081679	1	46	-2.0	-96.97	395.46	8.19	-88.78
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)S2	REAL300004081680	1	40	-2.0	-95.50	361.99	9.18	-86.32
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)S2	REAL300004081683	1	40	-2.0	-97.98	345.26	8.66	-89.32
CCC(=CC1=CC=CC=C1)C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081684	1	43	-2.0	-99.64	360.39	9.14	-90.50
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C1CCC3=NN=CN3C1)S2	REAL300004081686	1	39	-2.0	-92.19	333.00	7.45	-84.74
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)S2	REAL300004081688	1	40	-2.0	-97.98	345.26	8.66	-89.32
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@H]1C[C@@H]1C1=CC=CC=C1)S2	REAL300004081692	1	40	-2.0	-98.02	345.27	8.66	-89.36
CC1C(C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)C1C1=CC=CC=C1	REAL300004081693	1	43	-2.0	-98.53	361.46	9.14	-89.39
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)[N-]C1=NC2=C(CCC(C(=O)[O-])C2)S1	REAL300004081694	1	46	-2.0	-99.00	384.39	9.94	-89.06
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@@H]1C[C@H]1C1=CC=CC=C1F)S2	REAL300004081696	1	40	-2.0	-102.51	352.50	8.75	-93.76
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@@H]1C[C@H]1C1=CC=CC(O)=C1)S2	REAL300004081697	1	41	-2.0	-100.44	357.98	5.86	-94.58
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)C13CC(C1)CN3C1CC1)S2	REAL300004081698	1	43	-2.0	-99.91	348.54	5.70	-94.21
O=C([O-])C1CCC2=C(C1)N=C([N-]C(=O)[C@H]1C[C@H](N3C=NN=C3)C1)S2	REAL300004081699	1	39	-2.0	-98.58	336.03	8.26	-90.32
COC1=CC=CC([C@@H]2C[C@H]2C(=O)[N-]C2=NC3=C(CCC(C(=O)[O-])C3)S2)=C1	REAL300004081700	1	44	-2.0	-101.01	376.47	8.02	-92.99
CC1(C)CCC2=C1N=C([N-]C(=O)CN1C=C(C(=O)[O-])N=N1)S2	REAL300004081728	1	35	-2.0	-104.75	318.56	3.83	-100.92
CC1(C)CCC2=C1N=C([N-]C(=O)C13CC(C(=O)[O-])(C1)C3)S2	REAL300004081738	1	37	-2.0	-100.57	320.18	6.73	-93.84
CC1(C)CCC2=C1N=C([N-]C(=O)C13CCC(C(=O)[O-])(CC1)C3)S2	REAL300004081740	1	43	-2.0	-102.46	350.58	7.54	-94.92
CC1(C)CCC2=C1N=C([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)S2	REAL300004081741	1	46	-2.0	-97.15	362.31	8.05	-89.10
CC1(C)CCC2=C1N=C([N-]C(=O)CN1C=C(C(=O)[O-])C=N1)S2	REAL300004081750	1	36	-2.0	-103.55	323.48	5.31	-98.24
CC1(C)CCC2=C1N=C([N-]C(=O)C1(C(=O)[O-])CC3(CCC3)C1)S2	REAL300004081752	1	43	-2.0	-124.66	348.58	7.88	-116.78
CC1(C)CCC2=C1N=C([N-]C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)S2	REAL300004081754	1	45	-2.0	-112.22	384.95	7.73	-104.49
C[C@@H]1C[C@H](C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)O[C@H]1C(=O)[O-]	REAL300004081758	1	40	-2.0	-109.46	339.14	6.59	-102.87
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300004081759	1	41	-2.0	-106.29	336.70	6.70	-99.59
CC1(C)CCC2=C1N=C([N-]C(=O)COCC1=C(C(=O)[O-])N=CO1)S2	REAL300004081764	1	39	-2.0	-116.76	349.53	2.81	-113.95
CC1(C)CCC2=C1N=C([N-]C(=O)CN1C=CC(C(=O)[O-])=N1)S2	REAL300004081770	1	36	-2.0	-117.59	322.82	5.33	-112.26
CC1(C)CCC2=C1N=C([N-]C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)S2	REAL300004081772	1	43	-2.0	-107.13	360.60	7.02	-100.11
CC1(C)CCC2=C1N=C([N-]C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)S2	REAL300004081778	1	43	-2.0	-122.98	360.16	9.23	-113.75
CC1(C)CCC2=C1N=C([N-]C(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)S2	REAL300004081780	1	43	-2.0	-111.79	374.79	9.30	-102.49
CC1(C)CCC2=C1N=C([N-]C(=O)C1(C(=O)[O-])CC=CC1)S2	REAL300004081793	1	37	-2.0	-123.59	313.91	6.68	-116.91
CC1(C)CCC2=C1N=C([N-]C(=O)C13CC(C(=O)[O-])(C1)CO3)S2	REAL300004081805	1	38	-2.0	-100.80	327.41	4.64	-96.16
CC1(C)CCC2=C1N=C([N-]C(=O)C1(C(=O)[O-])CC3(CCC3)C1)S2	REAL300004081807	1	43	-2.0	-124.66	348.58	7.88	-116.78
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CCC2(C)C)S1	REAL300004081814	1	37	-2.0	-124.86	319.04	6.46	-118.40
CC1(C)CCC2=C1N=C([N-]C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])S2	REAL300004081816	1	41	-2.0	-137.35	337.26	5.36	-131.99
CC(C)[C@]1(C(=O)[N-]C2=NC3=C(CCC3(C)C)S2)C[C@H]1C(=O)[O-]	REAL300004081818	1	42	-2.0	-132.46	350.83	7.55	-124.91
CC1(C)CCC2=C1N=C([N-]C(=O)CC1=CC(C(=O)[O-])=CS1)S2	REAL300004081820	1	36	-2.0	-105.26	332.96	6.97	-98.29
CC1(C)CCC2=C1N=C([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)S2	REAL300004081824	1	46	-2.0	-97.15	362.31	8.05	-89.10
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC1)=N2	REAL300004082280	1	42	-2.0	-121.49	334.36	7.58	-113.91
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC1)=N2	REAL300004082281	1	42	-2.0	-121.49	334.36	7.58	-113.91
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])N=N1)=N2	REAL300004082291	1	44	-2.0	-108.26	362.16	5.67	-102.59
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)C3)=N2	REAL300004082299	1	46	-2.0	-103.13	363.77	8.55	-94.58
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CCC1)=N2	REAL300004082300	1	45	-2.0	-122.60	347.81	8.02	-114.58
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)C3)=N2	REAL300004082303	1	52	-2.0	-106.56	394.16	9.36	-97.20
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)=N2	REAL300004082304	1	55	-2.0	-99.25	405.90	9.88	-89.37
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CCCC1)=N2	REAL300004082310	1	48	-2.0	-124.97	365.33	8.60	-116.37
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)CN1C=C(C(=O)[O-])C=N1)=N2	REAL300004082313	1	45	-2.0	-107.16	367.06	7.16	-100.00
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC3(CCC3)C1)=N2	REAL300004082315	1	52	-2.0	-125.66	392.17	9.71	-115.95
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)COCC(=O)[O-])=N2	REAL300004082319	1	42	-2.0	-113.75	339.27	6.80	-106.95
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)=N2	REAL300004082321	1	49	-2.0	-113.93	382.65	8.45	-105.48
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C(C)(C)CCC(=O)[O-])=N2	REAL300004082322	1	50	-2.0	-110.99	380.30	8.54	-102.45
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)COCC1=C(C(=O)[O-])N=CO1)=N2	REAL300004082327	1	48	-2.0	-120.97	393.11	4.68	-116.29
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)CN1C=CC(C(=O)[O-])=N1)=N2	REAL300004082333	1	45	-2.0	-122.28	366.42	7.17	-115.11
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)=N2	REAL300004082336	1	52	-2.0	-111.38	404.20	8.91	-102.47
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)=N2	REAL300004082347	1	52	-2.0	-122.62	403.75	11.07	-111.55
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC=CC1)=N2	REAL300004082362	1	46	-2.0	-125.21	358.85	8.36	-116.85
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C(OC)C(=O)[O-])=N2	REAL300004082368	1	42	-2.0	-123.94	337.58	6.65	-117.29
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])=N2	REAL300004082369	1	45	-2.0	-134.06	354.45	8.11	-125.95
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C13CC(C(=O)[O-])(C1)CO3)=N2	REAL300004082373	1	47	-2.0	-103.87	371.12	6.51	-97.36
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC1C)=N2	REAL300004082376	1	45	-2.0	-121.99	350.02	8.39	-113.60
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C1(C(=O)[O-])CC3(CCC3)C1)=N2	REAL300004082377	1	52	-2.0	-125.66	392.17	9.71	-115.95
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CC(CC)(CC)CC2)S1	REAL300004082382	1	46	-2.0	-124.73	362.64	8.58	-116.15
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])=N2	REAL300004082384	1	50	-2.0	-140.43	380.03	7.47	-132.96
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])=N2	REAL300004082385	1	51	-2.0	-136.32	391.00	9.07	-127.25
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)CC1=CC(C(=O)[O-])=CS1)=N2	REAL300004082387	1	45	-2.0	-108.47	376.56	8.81	-99.66
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)=N2	REAL300004082390	1	55	-2.0	-99.25	405.90	9.88	-89.37
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CCCC2)S1	REAL300004083020	1	42	-2.0	-113.37	369.20	9.26	-104.11
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C=C2C)S1	REAL300004083025	1	36	-2.0	-104.74	341.84	7.14	-97.60
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=C2)S1	REAL300004083026	1	36	-2.0	-108.61	322.90	6.47	-102.14
COC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004083028	1	37	-2.0	-107.30	334.53	5.20	-102.10
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=CC=C2)S1	REAL300004083029	1	36	-2.0	-108.57	326.44	6.59	-101.98
COC1=CC=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083030	1	37	-2.0	-113.53	334.28	5.67	-107.86
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C#N)C=C2)S1	REAL300004083031	1	34	-2.0	-104.71	325.86	6.32	-98.39
CCOC1=CC=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083032	1	40	-2.0	-114.08	356.14	6.59	-107.49
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C(C)=C2)S1	REAL300004083033	1	36	-2.0	-104.75	340.48	7.02	-97.73
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C)C=C2)S1	REAL300004083043	1	36	-2.0	-108.17	326.44	6.59	-101.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(F)C=C2)S1	REAL300004083053	1	33	-2.0	-104.21	311.45	5.97	-98.24
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COC3=CC=CC=C3C2)S1	REAL300004083065	1	37	-2.0	-105.67	327.00	5.97	-99.70
COC1=CC(C#N)=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083067	1	38	-2.0	-108.96	355.84	6.11	-102.85
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NN(C)C(=O)C3=CC=CC=C32)S1	REAL300004083069	1	37	-2.0	-109.03	337.84	4.90	-104.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(Br)=C2)S1	REAL300004083084	1	33	-2.0	-106.03	327.11	6.58	-99.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C=C2)S1	REAL300004083087	1	33	-2.0	-104.34	321.77	6.43	-97.91
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C)S1	REAL300004083089	1	36	-2.0	-108.71	325.12	6.63	-102.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2Cl)S1	REAL300004083090	1	33	-2.0	-109.24	321.07	6.45	-102.79
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=CC(C)=C2)S1	REAL300004083091	1	39	-2.0	-109.02	347.85	7.25	-101.77
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=CC=C2Cl)S1	REAL300004083092	1	36	-2.0	-109.34	343.25	7.16	-102.18
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C3CCCC3=C2)S1	REAL300004083093	1	40	-2.0	-109.17	350.57	7.82	-101.35
CCCOC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004083094	1	43	-2.0	-106.71	377.89	6.92	-99.79
CCOC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004083095	1	40	-2.0	-107.01	356.39	6.12	-100.89
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C)C=C2)S1	REAL300004083096	1	39	-2.0	-108.74	344.32	7.15	-101.59
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(F)C=C2)S1	REAL300004083098	1	36	-2.0	-104.82	329.86	6.62	-98.20
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCOCC2)S1	REAL300004083101	1	43	-2.0	-108.61	355.16	7.02	-101.59
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3)CCOCC2)S1	REAL300004083102	1	43	-2.0	-105.41	361.56	7.09	-98.32
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CCOCC2)S1	REAL300004083103	1	43	-2.0	-103.09	361.56	7.09	-96.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CCOCC2)S1	REAL300004083104	1	43	-2.0	-103.43	371.89	7.55	-95.88
COC1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)CCOCC2)C=C1	REAL300004083105	1	47	-2.0	-109.85	384.63	6.33	-103.52
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3Cl)CCOCC2)S1	REAL300004083106	1	43	-2.0	-108.99	365.68	6.70	-102.29
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C#N)CCOCC2)S1	REAL300004083107	1	34	-2.0	-102.72	306.85	3.23	-99.49
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OCC(C)C)S1	REAL300004083108	1	38	-2.0	-107.65	333.28	5.58	-102.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC=CC=C3)C(C)=CC2=O)S1	REAL300004083110	1	41	-2.0	-130.14	368.70	7.98	-122.16
C=CCC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C(OC)=C1	REAL300004083114	1	44	-2.0	-113.06	390.76	7.70	-105.36
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NOC(C3=CC=CC=C3)C2)S1	REAL300004083117	1	37	-2.0	-108.39	340.52	5.71	-102.68
CC1=CC=C(C2=NC(CC(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)=CS2)O1	REAL300004083125	1	38	-2.0	-118.11	364.22	5.94	-112.17
CC1=NC(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=CS1	REAL300004083131	1	31	-2.0	-110.66	301.55	3.99	-106.67
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=NC=CC=N3)=N2)S1	REAL300004083133	1	36	-2.0	-120.42	351.49	4.43	-115.99
CCC1=NC(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=CS1	REAL300004083139	1	34	-2.0	-111.32	323.03	4.74	-106.58
CC1=NN(C)C(C)=C1C(=O)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083147	0	37	-2.0	-112.78	343.36	4.17	-108.61
CSCC1=NC2=CC=CC=C2N1CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083148	1	42	-2.0	-108.15	389.57	8.07	-100.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=NC3=C(C)C=CC=C3C2=O)S1	REAL300004083149	1	40	-2.0	-115.46	362.69	7.50	-107.96
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C(=O)C(C)OC3=CC=CC=C32)S1	REAL300004083153	1	41	-2.0	-114.55	362.92	5.57	-108.98
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C(=O)COC3=CC=C(Cl)C=C32)S1	REAL300004083160	1	38	-2.0	-113.06	360.40	5.41	-107.65
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN(C)C(=O)C2=CC=CS2)S1	REAL300004083169	1	36	-2.0	-116.44	336.88	4.81	-111.63
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSCC2=CC=CN=C2)S1	REAL300004083171	1	35	-2.0	-107.68	336.15	5.73	-101.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=C(C(F)(F)F)C=CC2=O)S1	REAL300004083177	1	35	-2.0	-110.14	339.81	5.74	-104.40
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=NC3=CC=CC=C3C2=O)S1	REAL300004083180	1	37	-2.0	-112.95	342.53	6.68	-106.27
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=NC3=CC=CC=C3S2)S1	REAL300004083184	1	35	-2.0	-109.32	349.83	6.26	-103.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC(C)=CC=C3)C(=O)CC2)S1	REAL300004083185	1	43	-2.0	-109.79	383.03	6.73	-103.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2CCCCCC2=O)S1	REAL300004083186	1	39	-2.0	-113.25	332.79	5.20	-108.05
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C(=O)COC3=CC=CC=C32)S1	REAL300004083188	1	38	-2.0	-114.25	342.62	4.88	-109.37
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2CSCC2=O)S1	REAL300004083189	1	31	-2.0	-108.79	300.40	3.49	-105.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=CC=CN=C3)=N2)S1	REAL300004083198	1	37	-2.0	-116.11	354.79	5.31	-110.80
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C3=CC=CC=C3OCCC2=O)S1	REAL300004083201	1	41	-2.0	-118.55	361.96	5.60	-112.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=CSC=C3)=N2)S1	REAL300004083202	1	35	-2.0	-112.73	350.82	6.01	-106.72
CCN1N=C(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C2=CC=CC=C2C1=O	REAL300004083209	1	40	-2.0	-109.39	358.13	5.76	-103.63
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NN(C)C(=O)C=C2)S1	REAL300004083210	1	31	-2.0	-103.90	295.54	2.52	-101.38
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NOC3=CC=CC=C32)S1	REAL300004083214	1	34	-2.0	-109.94	320.24	5.49	-104.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NN(C)C(=O)CC2)S1	REAL300004083216	1	33	-2.0	-103.97	304.01	2.61	-101.36
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC(=O)NC3=CC=CC=C32)S1	REAL300004083220	1	37	-2.0	-112.32	334.19	4.55	-107.77
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC=C(C)NC2=O)S1	REAL300004083223	1	32	-2.0	-131.65	297.91	3.54	-128.11
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CN(C)C(=O)C=C2)S1	REAL300004083226	1	32	-2.0	-104.87	298.53	4.38	-100.49
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC(=O)N(C)C3=CC=CC=C23)S1	REAL300004083227	1	38	-2.0	-109.66	335.90	7.25	-102.41
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(C#N)=C2)S1	REAL300004083230	1	37	-2.0	-107.58	343.76	6.87	-100.71
CCN1N=C(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=CC1=O	REAL300004083237	1	34	-2.0	-104.27	317.40	3.46	-100.81
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC=CC=C3)C(=O)CC2)S1	REAL300004083247	1	40	-2.0	-109.00	361.65	6.06	-102.94
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC=C3OCCOC3=C2)S1	REAL300004083251	1	39	-2.0	-107.44	359.13	5.72	-101.72
CC(=O)C1=CC=CC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1	REAL300004083252	1	38	-2.0	-115.85	346.30	6.35	-109.50
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=CC(C(F)(F)F)=N2)S1	REAL300004083253	1	32	-2.0	-107.73	317.67	4.54	-103.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2OC3=CC=CC=C3OC2C)S1	REAL300004083256	1	38	-2.0	-107.32	336.55	7.05	-100.27
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C(=O)C3=CC=CC=C3C2=O)S1	REAL300004083272	1	36	-2.0	-119.40	341.33	5.31	-114.09
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=COC(C3=CC=CC=C3)=N2)S1	REAL300004083286	1	38	-2.0	-117.10	352.72	4.75	-112.35
CCN1C(=O)N(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C2=CC=CC=C21	REAL300004083288	1	42	-2.0	-117.75	378.29	7.85	-109.90
C=C1C2=CC=CC=C2C(=O)N1CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083291	1	38	-2.0	-117.73	351.68	6.79	-110.94
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C(=O)N(C)C3=CC=CC=C32)S1	REAL300004083297	1	39	-2.0	-119.12	356.48	6.90	-112.22
CC1=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)N=C(C2=CC=CS2)O1	REAL300004083299	1	38	-2.0	-114.55	364.94	4.23	-110.32
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C3NC(=O)CCC3=C2)S1	REAL300004083300	1	41	-2.0	-108.28	364.88	5.09	-103.19
COC1=CC=CC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1	REAL300004083303	1	37	-2.0	-109.92	334.53	5.21	-104.71
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NN(CC3=CC=CC=C3)C(=O)CC2)S1	REAL300004083304	1	43	-2.0	-105.75	384.77	6.51	-99.24
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN(C)S(=O)(=O)C2=CC=CC=C2)S1	REAL300004083305	1	40	-2.0	-116.15	370.81	3.84	-112.31
CC(=O)NC1=CC=C(SC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004083306	1	43	-2.0	-114.26	395.34	6.22	-108.04
COC1=CC=CC(SCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1	REAL300004083307	1	37	-2.0	-107.23	344.90	5.92	-101.31
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC(Cl)=CC=C2Cl)S1	REAL300004083327	1	33	-2.0	-106.60	338.57	7.01	-99.59
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCCN2S(C)(=O)=O)S1	REAL300004083335	1	40	-2.0	-116.87	343.59	2.84	-114.03
CC(=O)NC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1CCCC1	REAL300004083336	1	42	-2.0	-106.17	351.06	5.34	-100.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=COC(C3=CC=CS3)=N2)S1	REAL300004083353	1	35	-2.0	-116.83	343.73	3.70	-113.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC(C)=CC=C2)C(C)C)S1	REAL300004083356	1	48	-2.0	-107.35	405.77	7.85	-99.50
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=CO2)C(C)C)S1	REAL300004083360	1	42	-2.0	-106.73	369.02	5.03	-101.70
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=C(C)C=C(C)NC2=O)S1	REAL300004083382	1	35	-2.0	-132.63	314.31	4.23	-128.40
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2=CC=CS2)S1	REAL300004083388	1	36	-2.0	-106.47	343.17	3.79	-102.68
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC3=C(CCCC3)NC2=O)S1	REAL300004083392	1	39	-2.0	-129.89	339.31	5.36	-124.53
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=CC(Cl)=C2)S1	REAL300004083393	1	39	-2.0	-103.36	351.09	7.37	-95.99
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(F)C=C2Cl)S1	REAL300004083394	1	36	-2.0	-105.31	346.13	7.12	-98.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CNC(=O)C(Br)=C2)S1	REAL300004083396	1	29	-2.0	-103.48	299.64	3.18	-100.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3F)CC2)S1	REAL300004083399	1	36	-2.0	-113.74	332.69	7.37	-106.37
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(SC3=CC=CC=C3)CCCC2)S1	REAL300004083405	1	43	-2.0	-110.70	370.91	8.85	-101.85
COC1=CC=CC=C1CC(C)(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083407	1	45	-2.0	-111.24	374.00	7.31	-103.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC(=O)NC3=CC=C([N+](=O)[O-])C=C32)S1	REAL300004083412	1	37	-2.0	-118.30	348.00	6.20	-112.10
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3=CC(F)=CC=C3O2)S1	REAL300004083413	1	34	-2.0	-105.82	318.60	6.36	-99.46
CCC(OC1CCCC1)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083414	1	42	-2.0	-108.40	356.45	7.01	-101.39
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NNC3=CC=CC=C3C2=O)S1	REAL300004083416	1	34	-2.0	-126.15	319.58	5.20	-120.95
CCN(CC)S(=O)(=O)CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083420	1	39	-2.0	-113.42	353.70	2.20	-111.22
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2CCCC(C)C2)S1	REAL300004083421	1	42	-2.0	-109.20	351.34	6.73	-102.47
CC1=NOC(COCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=N1	REAL300004083422	1	34	-2.0	-109.52	322.17	2.00	-107.52
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=CN3N=CC=C3C2=O)S1	REAL300004083424	1	34	-2.0	-116.78	324.41	4.32	-112.46
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)S(C)(=O)=O)S1	REAL300004083425	1	34	-2.0	-122.21	311.64	1.32	-120.89
CCCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004083431	1	41	-2.0	-107.24	351.59	9.05	-98.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=C(C)C=C(C)C=C2C)S1	REAL300004083435	1	42	-2.0	-110.41	369.01	8.08	-102.33
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)CC2=CC=CC=C2)S1	REAL300004083436	1	39	-2.0	-105.43	355.08	4.61	-100.82
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)NS(=O)(=O)C2=CC=C(C)C=C2)S1	REAL300004083437	1	43	-2.0	-104.43	391.69	3.20	-101.23
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C(C)C)C(C)=C2)S1	REAL300004083442	1	45	-2.0	-108.65	382.67	8.37	-100.28
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CC2)S1	REAL300004083444	1	36	-2.0	-110.91	318.69	8.33	-102.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CC2)S1	REAL300004083445	1	36	-2.0	-108.03	335.41	8.85	-99.18
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(NC(=O)CC2=CC=CC=C2)C(C)C)S1	REAL300004083449	1	48	-2.0	-106.50	410.18	7.74	-98.76
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=CC=C2C)C(C)C)S1	REAL300004083450	1	48	-2.0	-105.58	396.18	7.60	-97.98
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=C3C=CC=CN3C2=O)S1	REAL300004083458	1	35	-2.0	-122.00	329.81	5.83	-116.17
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Br)C=C3)CC2)S1	REAL300004083459	1	36	-2.0	-108.01	339.98	8.95	-99.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C(C)(C)C)S1	REAL300004083461	1	41	-2.0	-105.45	354.84	3.76	-101.69
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CCC2)S1	REAL300004083467	1	39	-2.0	-106.45	351.88	9.02	-97.43
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3)CCC2)S1	REAL300004083468	1	39	-2.0	-108.50	341.56	8.57	-99.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CCC2)S1	REAL300004083469	1	39	-2.0	-106.08	341.56	8.57	-97.51
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC(C)=CC=C3)CCC2)S1	REAL300004083470	1	42	-2.0	-112.43	356.58	9.16	-103.27
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CCCCC2)S1	REAL300004083472	1	45	-2.0	-106.91	380.18	9.89	-97.02
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(Cl)=C2Cl)S1	REAL300004083478	1	36	-2.0	-108.47	354.89	7.52	-100.95
COC1=CC=C(COCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004083485	1	40	-2.0	-108.97	360.87	5.74	-103.23
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(NC(=O)C3CC3)=C2)S1	REAL300004083496	1	44	-2.0	-110.37	392.22	6.39	-103.98
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC=C2Cl)S1	REAL300004083498	1	34	-2.0	-104.36	323.40	5.00	-99.36
CSC1=CC=C(OC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004083500	1	40	-2.0	-107.52	363.63	7.57	-99.95
CC1=NN=NN1C(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083501	1	43	-2.0	-108.50	387.10	6.94	-101.56
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CSC=C2)S1	REAL300004083504	1	32	-2.0	-106.11	304.88	5.72	-100.39
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CS2)S1	REAL300004083505	1	32	-2.0	-105.95	305.78	5.90	-100.05
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC(F)=C2)S1	REAL300004083507	1	38	-2.0	-110.29	335.91	7.18	-103.11
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC(Cl)=C2)S1	REAL300004083517	1	38	-2.0	-109.04	346.24	7.62	-101.42
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC(C)=CC=C2)S1	REAL300004083519	1	38	-2.0	-108.38	334.46	7.32	-101.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CCCCC2)S1	REAL300004083521	1	42	-2.0	-108.86	358.04	8.45	-100.41
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=COC=C3)=N2)S1	REAL300004083522	1	35	-2.0	-112.53	342.90	5.08	-107.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC3=C(CCCCC3)NC2=O)S1	REAL300004083524	1	42	-2.0	-130.85	355.76	5.90	-124.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(OCC(C)C)C=C2)S1	REAL300004083548	1	51	-2.0	-109.31	422.44	8.83	-100.48
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=C2Br)S1	REAL300004083550	1	36	-2.0	-109.17	343.34	7.12	-102.05
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=CC3=CC=CC=C32)S1	REAL300004083551	1	35	-2.0	-112.87	324.81	5.72	-107.15
COC1=CC=C(C(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004083553	1	39	-2.0	-107.16	343.29	6.00	-101.16
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCCN2C(=O)C2=CC=CC=C2)S1	REAL300004083556	1	46	-2.0	-130.84	382.20	8.13	-122.71
COC1=CC=CC(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)CCCC2)=C1	REAL300004083560	1	46	-2.0	-123.86	381.10	8.06	-115.80
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C(=O)CCC3=CC=CC=C32)S1	REAL300004083567	1	40	-2.0	-117.83	352.05	6.86	-110.97
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)CCCC2=CC=CC=C2)S1	REAL300004083570	1	47	-2.0	-107.99	394.44	9.46	-98.53
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC=C2F)S1	REAL300004083571	1	35	-2.0	-108.88	318.86	6.72	-102.16
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(Cl)C=C2C)S1	REAL300004083578	1	39	-2.0	-105.23	359.70	7.70	-97.53
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)S1	REAL300004083587	1	37	-2.0	-153.70	342.97	3.82	-149.88
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(Cl)C=C2)S1	REAL300004083592	1	33	-2.0	-103.02	331.37	7.10	-95.92
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=CC=CC=C3)=N2)S1	REAL300004083593	1	38	-2.0	-114.63	359.78	7.08	-107.55
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32)S1	REAL300004083594	1	38	-2.0	-111.98	360.18	1.80	-110.18
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC(=O)N(C)C3=CC=CC=C32)S1	REAL300004083601	1	40	-2.0	-114.41	350.23	6.26	-108.15
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3=CC=CC=C3S2)S1	REAL300004083602	1	34	-2.0	-109.68	320.51	7.02	-102.66
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC(=O)NC3=CC(F)=CC=C32)S1	REAL300004083606	1	37	-2.0	-110.65	340.61	4.61	-106.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(C(C)(C)C)C=C2)S1	REAL300004083607	1	45	-2.0	-106.24	391.57	8.94	-97.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)NCC2=CC=C(F)C=C2)S1	REAL300004083608	1	41	-2.0	-104.07	378.21	3.42	-100.65
CC1=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)N=C(C2=CC=CC=C2)O1	REAL300004083617	1	41	-2.0	-113.32	373.25	5.28	-108.04
CC(=O)NCC(=O)NCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083626	1	36	-2.0	-104.93	333.74	-0.69	-105.62
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)S1	REAL300004083627	1	40	-2.0	-99.42	363.96	4.31	-95.11
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2CCCCC2)S1	REAL300004083631	1	39	-2.0	-107.54	333.36	6.06	-101.48
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCCOC2=CC=CC=C2)S1	REAL300004083632	1	40	-2.0	-112.20	361.29	6.19	-106.01
COC1=CC=CC(COCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1	REAL300004083634	1	40	-2.0	-110.87	360.11	5.70	-105.17
COC1=CC=CC(COC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1	REAL300004083635	1	43	-2.0	-112.97	380.33	6.40	-106.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CC2)S1	REAL300004083644	1	36	-2.0	-105.06	325.10	8.40	-96.66
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=COC(C3=CC=C(F)C=C3)=N2)S1	REAL300004083646	1	38	-2.0	-111.96	358.35	4.78	-107.18
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2SCCC3=CC=CC=C32)S1	REAL300004083655	1	37	-2.0	-116.75	334.92	7.45	-109.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CNC(=O)N(C)C2=O)S1	REAL300004083657	1	32	-2.0	-116.97	301.65	2.44	-114.53
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083662	1	45	-2.0	-102.66	393.97	4.81	-97.85
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)C(C)C)S1	REAL300004083675	1	34	-2.0	-117.96	316.93	1.63	-116.33
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CCCCC2)S1	REAL300004083677	1	45	-2.0	-106.52	369.84	9.43	-97.09
COC1=CC(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)CCCC2)=CC=C1C	REAL300004083679	1	49	-2.0	-114.25	401.13	8.84	-105.41
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC3=C(CC(C)(C)CC3=O)NC2=O)S1	REAL300004083680	1	44	-2.0	-135.15	378.97	5.42	-129.73
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)CCC2=CC=C(C)C=C2)S1	REAL300004083681	1	45	-2.0	-104.54	398.66	6.14	-98.40
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2CCCCC2C)S1	REAL300004083684	1	42	-2.0	-109.39	351.08	6.81	-102.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(Cl)=C2C)S1	REAL300004083686	1	36	-2.0	-106.01	339.16	7.06	-98.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCN(C3=CC=C(F)C=C3)C2=O)S1	REAL300004083691	1	40	-2.0	-120.45	357.37	6.69	-113.76
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCN(C3=CC=C(Cl)C=C3)C2=O)S1	REAL300004083692	1	40	-2.0	-120.21	367.69	7.14	-113.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC(C)=CC=C3)CC2)S1	REAL300004083694	1	39	-2.0	-111.58	340.12	9.00	-102.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC=C(Cl)C=C32)S1	REAL300004083696	1	36	-2.0	-106.53	346.76	8.14	-98.39
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3)CCCCC2)S1	REAL300004083700	1	45	-2.0	-108.38	369.84	9.43	-98.95
CCC(C)C(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004083707	1	44	-2.0	-108.46	365.75	9.31	-99.15
CC1=NOC(C)=C1CSCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083716	1	38	-2.0	-106.99	357.68	6.25	-100.74
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSCC2=CC(C)=CC=C2)S1	REAL300004083718	1	39	-2.0	-107.48	362.72	8.18	-99.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NNC(=O)C3=CC=CC=C32)S1	REAL300004083719	1	34	-2.0	-107.32	315.84	3.27	-104.05
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=CC=CC(F)=C3)=N2)S1	REAL300004083729	1	38	-2.0	-116.69	366.21	7.14	-109.55
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=C(F)C=C2)S1	REAL300004083732	1	39	-2.0	-104.49	340.85	6.89	-97.60
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300004083744	1	42	-2.0	-111.45	367.59	9.41	-102.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=C(Cl)C=C2)S1	REAL300004083751	1	39	-2.0	-104.40	351.17	7.35	-97.05
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC3=CC=CC=C3C=C2)S1	REAL300004083763	1	39	-2.0	-107.67	360.73	8.85	-98.82
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3F)CCCC2)S1	REAL300004083766	1	42	-2.0	-110.61	352.13	8.82	-101.79
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3)CCCC2)S1	REAL300004083767	1	42	-2.0	-118.54	357.95	8.86	-109.68
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(SC2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300004083772	1	43	-2.0	-113.60	398.94	10.30	-103.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC3=CC=CC=C3C=C2)S1	REAL300004083773	1	39	-2.0	-109.98	351.05	8.19	-101.79
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN2C(=O)C2=CC=CS2)S1	REAL300004083775	1	40	-2.0	-126.55	362.37	5.60	-120.95
CCC1=CC=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083776	1	39	-2.0	-109.28	346.74	7.38	-101.90
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2CC2=CC=CC=C2)S1	REAL300004083777	1	46	-2.0	-114.23	404.52	10.40	-103.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COC3=CC=CC=C3O2)S1	REAL300004083780	1	35	-2.0	-108.20	320.82	5.52	-102.68
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COC3=CC=C(Cl)C=C3C2)S1	REAL300004083790	1	37	-2.0	-102.26	343.72	6.48	-95.78
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCC2)S1	REAL300004083792	1	39	-2.0	-111.22	334.74	8.54	-102.68
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC(C)(C)C)S1	REAL300004083798	1	35	-2.0	-106.73	316.27	5.60	-101.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSCC2=CC=CC(Cl)=C2)S1	REAL300004083802	1	36	-2.0	-106.30	358.05	8.03	-98.27
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSCC2=CC=C(Cl)C=C2)S1	REAL300004083803	1	36	-2.0	-105.34	358.05	8.04	-97.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(NC(=O)CC(C)C)C(C)C)S1	REAL300004083811	1	47	-2.0	-104.88	388.40	6.12	-98.76
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(C(C)C)=C2)S1	REAL300004083813	1	42	-2.0	-108.57	365.25	7.82	-100.75
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(C(C)C)=C2)S1	REAL300004083814	1	45	-2.0	-109.09	383.12	8.39	-100.70
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC(C)=CC=C2C(C)C)S1	REAL300004083815	1	48	-2.0	-110.97	403.70	9.16	-101.81
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C(C)C)C(C)=C2)S1	REAL300004083816	1	48	-2.0	-109.12	400.41	8.95	-100.17
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(F)=C2)S1	REAL300004083817	1	36	-2.0	-107.09	329.33	6.54	-100.55
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2CCCC2)S1	REAL300004083818	1	42	-2.0	-104.35	359.44	4.41	-99.94
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=C([N+](=O)[O-])C=C2)S1	REAL300004083819	1	38	-2.0	-104.14	367.37	8.02	-96.12
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C(C)(C)C)C=C2)S1	REAL300004083830	1	48	-2.0	-108.30	399.62	8.89	-99.41
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCC2=CC=CC=C2)S1	REAL300004083831	1	36	-2.0	-108.69	331.36	6.44	-102.25
CCS(=O)(=O)NC(CCSC)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083837	1	43	-2.0	-119.47	400.69	2.26	-117.21
CC(=O)CCC1=CC=C(OC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004083845	1	47	-2.0	-110.22	411.05	8.70	-101.52
CC(=O)C1=CC=CC(OC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1	REAL300004083846	1	41	-2.0	-116.63	363.15	6.91	-109.72
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC([N+](=O)[O-])=CC=C32)S1	REAL300004083848	1	38	-2.0	-102.43	358.16	8.30	-94.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COC3=CC=CC=C32)S1	REAL300004083850	1	34	-2.0	-106.98	309.68	5.16	-101.82
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)C(C)(C)C)S1	REAL300004083860	1	38	-2.0	-104.49	334.28	2.91	-101.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC3=CC=CC=C3C(=O)N2)S1	REAL300004083868	1	35	-2.0	-109.36	324.57	4.80	-104.56
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)S1	REAL300004083873	1	37	-2.0	-110.27	346.47	2.98	-107.29
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC=C3CCCC3=C2)S1	REAL300004083881	1	40	-2.0	-107.08	360.18	8.49	-98.59
CC1=CC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=NO1	REAL300004083882	1	32	-2.0	-110.53	304.87	2.86	-107.67
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=C(F)C=C2)C(C)C)S1	REAL300004083884	1	45	-2.0	-102.15	385.74	6.95	-95.20
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(C(F)(F)F)=C2)S1	REAL300004083887	1	36	-2.0	-105.93	343.75	6.92	-99.01
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=CC=C2C)S1	REAL300004083888	1	39	-2.0	-109.13	347.29	7.33	-101.80
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C2=CC=CC=C2)S1	REAL300004083889	1	43	-2.0	-111.66	383.83	9.61	-102.05
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C)C(C)=C2)S1	REAL300004083890	1	39	-2.0	-109.08	343.44	7.13	-101.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=CC=C2C(C)C)S1	REAL300004083891	1	45	-2.0	-110.57	385.83	8.59	-101.98
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2F)S1	REAL300004083893	1	33	-2.0	-111.57	311.27	5.99	-105.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Br)C=C2)S1	REAL300004083894	1	33	-2.0	-104.23	326.33	6.54	-97.69
CCC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004083896	1	39	-2.0	-107.92	347.93	7.36	-100.56
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=CC(=O)NC2=O)S1	REAL300004083904	1	32	-2.0	-108.68	305.78	2.03	-106.65
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2=COC=C2)S1	REAL300004083905	1	36	-2.0	-107.37	334.41	2.76	-104.61
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)NS(=O)(=O)C2=CC=CS2)S1	REAL300004083908	1	37	-2.0	-108.79	360.08	1.48	-107.31
CCCS(=O)(=O)N1CCCCC1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083909	1	46	-2.0	-118.54	386.56	4.52	-114.02
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CC=CS2)S1	REAL300004083910	1	34	-2.0	-107.57	342.15	0.84	-106.73
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN(C)S(C)(=O)=O)S1	REAL300004083911	1	33	-2.0	-103.09	310.48	0.64	-102.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NC(CC(=O)[O-])=C(C)S1	REAL300004083912	1	40	-2.0	-100.42	364.04	4.53	-95.89
COC1=CC=C(SC(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004083915	1	40	-2.0	-108.72	368.67	6.64	-102.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=CC=C2Cl)S1	REAL300004083916	1	36	-2.0	-108.25	346.34	7.51	-100.74
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)CC(C)(C)C)S1	REAL300004083923	1	41	-2.0	-103.36	348.27	3.51	-99.85
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC=CC=C32)S1	REAL300004083924	1	36	-2.0	-108.20	329.29	7.59	-100.61
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=C(C3=CC=CC=C3)C=CC2=O)S1	REAL300004083926	1	41	-2.0	-120.50	372.38	6.54	-113.96
CCCC(=O)N1CCCC1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083931	1	42	-2.0	-122.69	360.13	6.33	-116.36
CCCC(=O)N1CCCCC1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004083933	1	45	-2.0	-126.21	371.52	7.16	-119.05
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=C([N+](=O)[O-])C=CC2=O)S1	REAL300004083934	1	34	-2.0	-107.66	329.27	5.42	-102.24
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC=CC=C2)S1	REAL300004083945	1	39	-2.0	-109.53	351.59	7.14	-102.39
COC1=CC=C2CC(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)COC2=C1	REAL300004083946	1	41	-2.0	-105.67	356.52	5.28	-100.39
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCCC2=CC=CC=C2)S1	REAL300004083947	1	39	-2.0	-107.22	352.09	7.18	-100.04
COC1=CC=CC=C1C1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CC1	REAL300004083949	1	40	-2.0	-114.14	355.48	6.69	-107.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3C)CC2)S1	REAL300004083950	1	39	-2.0	-109.71	342.01	7.78	-101.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(Br)=C2)S1	REAL300004083952	1	36	-2.0	-106.68	344.21	7.10	-99.58
CC1=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)N=C(C2=CC=CO2)O1	REAL300004083954	1	38	-2.0	-116.48	355.66	3.24	-113.24
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=CC=C(C)C=C3)=N2)S1	REAL300004083956	1	41	-2.0	-114.56	381.18	7.75	-106.81
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(F)C(F)=C2)S1	REAL300004083973	1	33	-2.0	-103.66	328.11	6.74	-96.92
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=CC=CS3)=N2)S1	REAL300004083976	1	35	-2.0	-114.35	351.42	6.09	-108.26
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC(C(C)C)=CC=C2C)S1	REAL300004083985	1	48	-2.0	-109.62	403.96	9.15	-100.47
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC(C)=CC=C2Cl)S1	REAL300004083986	1	39	-2.0	-109.90	361.12	7.73	-102.17
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(Cl)C(Cl)=C2)S1	REAL300004083987	1	36	-2.0	-103.81	354.81	7.45	-96.36
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(F)C(Cl)=C2)S1	REAL300004083988	1	33	-2.0	-103.48	328.40	6.52	-96.96
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300004083989	1	46	-2.0	-109.07	397.07	9.90	-99.17
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=NC(C)=CC(C)=N2)S1	REAL300004083995	1	37	-2.0	-111.42	350.34	5.36	-106.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=C(C)C=C2)C(C)C)S1	REAL300004083998	1	48	-2.0	-105.57	401.52	7.60	-97.97
CCOCCOC(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084005	1	39	-2.0	-109.61	347.16	4.32	-105.29
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)NC2CCCCC2)S1	REAL300004084007	1	44	-2.0	-105.62	374.15	3.06	-102.56
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)NCC2=CC=CO2)S1	REAL300004084009	1	38	-2.0	-105.43	352.55	1.48	-103.95
CCCCSC(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084013	1	38	-2.0	-106.68	342.96	6.64	-100.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=C(C)N(C3=CC=CC=C3)N=N2)S1	REAL300004084014	1	41	-2.0	-115.84	367.50	6.31	-109.53
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCCN2C(=O)C2=CC=CO2)S1	REAL300004084019	1	43	-2.0	-128.23	366.05	6.70	-121.53
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCC(=O)N2CC2=CC=C(C)C=C2)S1	REAL300004084020	1	46	-2.0	-106.22	404.32	8.32	-97.90
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3=C(C=C(C)C(C)=C3)O2)S1	REAL300004084022	1	40	-2.0	-110.94	351.24	7.53	-103.41
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Br)S2)S1	REAL300004084023	1	32	-2.0	-103.55	327.47	6.63	-96.92
CCC(CC)(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004084027	1	44	-2.0	-110.56	355.90	7.84	-102.72
CCC(OC1=CC=CC=C1F)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084032	1	39	-2.0	-112.30	343.84	7.14	-105.16
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)N2N=NC(C3=CC=CC=C3)=N2)S1	REAL300004084037	1	40	-2.0	-108.61	368.14	5.83	-102.78
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC(C3=CC=CC=C3)=C(C)NC2=O)S1	REAL300004084040	1	42	-2.0	-130.02	375.84	7.09	-122.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN(C)C2=CC=CC=C2[N+](=O)[O-])S1	REAL300004084042	1	39	-2.0	-118.36	351.84	6.91	-111.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Cl)C(Cl)=C2)S1	REAL300004084045	1	35	-2.0	-103.86	345.72	7.67	-96.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C(C)(C)C)C=C3)CC2)S1	REAL300004084047	1	48	-2.0	-112.50	394.89	10.65	-101.85
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC(C)=CC(C)=C3)CCC2)S1	REAL300004084048	1	45	-2.0	-112.59	377.74	9.84	-102.75
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=CC3=CC=CC=C3C2=O)S1	REAL300004084050	1	37	-2.0	-125.86	342.94	5.18	-120.68
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CCCC2)S1	REAL300004084051	1	42	-2.0	-115.99	368.27	9.30	-106.69
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CC2)S1	REAL300004084052	1	36	-2.0	-105.54	335.42	8.84	-96.70
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=C(Br)C=CC2=O)S1	REAL300004084054	1	32	-2.0	-111.19	322.36	5.37	-105.82
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Br)=C3)CC2)S1	REAL300004084055	1	36	-2.0	-105.49	339.99	8.94	-96.55
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)NC2CCC(C)CC2)S1	REAL300004084060	1	46	-2.0	-111.75	389.32	2.73	-109.02
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084062	1	48	-2.0	-106.75	411.58	6.89	-99.86
CC1=NOC(C)=C1C(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084064	1	37	-2.0	-102.74	324.61	5.32	-97.42
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)CCC2CCCC2)S1	REAL300004084068	1	45	-2.0	-103.96	381.55	5.05	-98.91
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCCC3=CC=CC=C32)S1	REAL300004084069	1	42	-2.0	-109.81	347.26	8.33	-101.48
CCCS(=O)(=O)N1CCCC1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084071	1	43	-2.0	-122.37	377.72	4.23	-118.14
COCCN1N=C(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=CC1=O	REAL300004084073	1	38	-2.0	-108.28	350.03	2.51	-105.77
CC1=NC(CSCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=CS1	REAL300004084076	1	35	-2.0	-109.32	347.90	5.20	-104.12
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=NC3=CC=CC=C3C2=O)S1	REAL300004084077	1	36	-2.0	-119.00	337.99	3.75	-115.25
COC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004084084	1	39	-2.0	-112.16	334.50	5.40	-106.76
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(C)C=C2)S1	REAL300004084099	1	38	-2.0	-108.01	335.22	7.37	-100.64
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(F)C=C2)S1	REAL300004084101	1	38	-2.0	-105.55	335.91	7.18	-98.37
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2CC3=CC=CC=C3C2=O)S1	REAL300004084102	1	37	-2.0	-116.59	339.93	5.92	-110.67
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(C)C=C2)S1	REAL300004084103	1	41	-2.0	-109.67	350.92	7.79	-101.88
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C(=O)NC3CC3)CCC2)S1	REAL300004084104	1	40	-2.0	-102.29	349.56	5.11	-97.18
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=C(Cl)C=C2)S1	REAL300004084107	1	36	-2.0	-105.49	355.91	7.87	-97.62
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(F)C=C2)S1	REAL300004084108	1	33	-2.0	-103.03	321.04	6.65	-96.38
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC=C2Cl)S1	REAL300004084114	1	33	-2.0	-107.05	329.66	7.03	-100.02
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(C)C=C2)S1	REAL300004084115	1	36	-2.0	-106.53	336.05	7.26	-99.27
CSCCC(NC(=O)C1=CC=CO1)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084117	1	43	-2.0	-108.14	393.64	4.66	-103.48
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2SCCC3=C2C=CS3)S1	REAL300004084119	1	34	-2.0	-113.33	327.62	6.62	-106.71
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)CCOC(C)C)S1	REAL300004084120	1	43	-2.0	-108.34	389.87	0.30	-108.04
CCC1=CC=C(C(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004084121	1	41	-2.0	-108.02	356.70	8.14	-99.88
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(C(C)(C)C)=N2)S1	REAL300004084124	1	40	-2.0	-109.85	362.85	5.61	-104.24
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C3=CC=CC=C3CCCC2=O)S1	REAL300004084126	1	43	-2.0	-117.52	366.99	7.52	-110.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC(Br)=C2)S1	REAL300004084127	1	38	-2.0	-108.85	350.80	7.73	-101.12
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCC(C)(C)C3=CC=CC=C32)S1	REAL300004084128	1	45	-2.0	-111.82	364.95	9.55	-102.27
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)N2C=C([N+](=O)[O-])C=N2)S1	REAL300004084131	1	37	-2.0	-100.09	344.01	5.27	-94.82
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCOC3=CC=CC=C32)S1	REAL300004084135	1	37	-2.0	-108.76	322.76	6.79	-101.97
CCC(CC)(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=C(Cl)C=C1	REAL300004084136	1	44	-2.0	-107.34	372.20	8.34	-99.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC(C)=CC=C3)CCCC2)S1	REAL300004084137	1	45	-2.0	-117.63	372.98	9.44	-108.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=COC(C3=CC=C(Cl)C=C3)=N2)S1	REAL300004084149	1	38	-2.0	-111.94	368.67	5.24	-106.70
CNC(=O)C1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCC1	REAL300004084150	1	36	-2.0	-101.22	318.17	3.38	-97.84
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(Br)C=C2)S1	REAL300004084157	1	36	-2.0	-104.70	344.74	7.18	-97.52
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(Cl)C=C2)S1	REAL300004084159	1	38	-2.0	-105.65	346.23	7.63	-98.02
COC1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)CCCC2)C=C1	REAL300004084163	1	46	-2.0	-118.85	381.96	8.04	-110.81
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC([N+](=O)[O-])=C2)S1	REAL300004084173	1	35	-2.0	-107.72	333.25	6.58	-101.14
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=C2Cl)S1	REAL300004084174	1	36	-2.0	-109.66	338.95	7.01	-102.65
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C(F)(F)F)C=C2)S1	REAL300004084184	1	36	-2.0	-103.61	343.75	6.92	-96.69
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC=C2)S1	REAL300004084203	1	33	-2.0	-106.48	314.64	6.58	-99.90
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC(C)=CC=C2)S1	REAL300004084208	1	39	-2.0	-108.95	344.32	7.15	-101.80
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=C(C)C=CC=C2C)S1	REAL300004084214	1	39	-2.0	-110.26	346.79	7.38	-102.88
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32)S1	REAL300004084217	1	45	-2.0	-107.78	397.76	6.74	-101.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)NS(=O)(=O)C2=CC=CC=C2)S1	REAL300004084218	1	40	-2.0	-110.33	367.51	2.41	-107.92
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC(C)=CC=C3)CCCCC2)S1	REAL300004084226	1	48	-2.0	-112.24	384.85	10.03	-102.21
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(Br)C=C2)S1	REAL300004084227	1	38	-2.0	-105.66	350.80	7.74	-97.92
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC(C)=CC(C)=C3)CC2)S1	REAL300004084236	1	42	-2.0	-111.84	361.50	9.65	-102.19
CC1=NN(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C(C)=C1Cl	REAL300004084247	1	35	-2.0	-106.24	335.01	5.06	-101.18
CCCS(=O)(=O)CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084251	1	34	-2.0	-118.04	321.37	1.83	-116.21
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC=C2[N+](=O)[O-])S1	REAL300004084254	1	36	-2.0	-112.67	331.92	5.30	-107.37
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C=C2Cl)S1	REAL300004084256	1	33	-2.0	-105.01	338.57	6.99	-98.02
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=CC=C2)S1	REAL300004084260	1	36	-2.0	-106.55	330.47	3.93	-102.62
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC(C)=CC=C2C)S1	REAL300004084262	1	39	-2.0	-107.61	355.32	7.86	-99.75
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(Cl)(C4)C2)C3)S1	REAL300004084274	1	43	-2.0	-110.40	354.29	7.82	-102.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2=CC=CC([N+](=O)[O-])=C2)S1	REAL300004084276	1	41	-2.0	-107.12	379.99	5.50	-101.62
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3=CC=CC=C3O2)S1	REAL300004084279	1	34	-2.0	-110.53	312.18	6.30	-104.23
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=C(C)C(C)=NNC2=O)S1	REAL300004084286	1	34	-2.0	-121.16	307.69	2.80	-118.36
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=CC=C2)S1	REAL300004084293	0	32	-2.0	-108.84	307.09	6.29	-102.55
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004084303	1	36	-2.0	-109.02	328.26	6.19	-102.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC=C2)S1	REAL300004084325	1	38	-2.0	-109.17	329.51	7.11	-102.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(Cl)C=C2Cl)S1	REAL300004084328	1	36	-2.0	-105.48	356.45	7.56	-97.92
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3)CCCC2)S1	REAL300004084330	1	42	-2.0	-113.68	358.87	8.81	-104.87
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(C4)C2)C3)S1	REAL300004084331	1	43	-2.0	-112.48	338.30	7.36	-105.12
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2)S1	REAL300004084337	1	33	-2.0	-108.14	305.04	5.91	-102.23
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC(Cl)=CC=C2Cl)S1	REAL300004084339	1	33	-2.0	-105.17	347.16	7.59	-97.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)S(=O)(=O)C2=CC=C(F)C=C2)S1	REAL300004084340	1	38	-2.0	-111.66	359.02	3.88	-107.78
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NC(CC(=O)[O-])=C(C)S2)O1	REAL300004084351	1	34	-2.0	-93.88	335.00	0.35	-93.53
CC1=CC(NC(=O)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=NO1	REAL300004084356	0	32	-2.0	-105.55	306.42	2.92	-102.63
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC(F)(F)F)S1	REAL300004084360	1	26	-2.0	-98.58	278.90	4.16	-94.42
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(CC3=CC=CC=C3)=N2)S1	REAL300004084363	1	41	-2.0	-113.69	382.93	7.76	-105.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC(=O)NC3=CC(F)=CC=C32)S1	REAL300004084367	1	35	-2.0	-101.84	326.02	5.57	-96.27
COC1=CC=C2C(=C1)C=CN2CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084372	1	40	-2.0	-106.90	359.61	6.93	-99.97
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(Cl)=C2)S1	REAL300004084381	1	36	-2.0	-106.73	339.64	6.99	-99.74
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSCCC(C)C)S1	REAL300004084387	1	38	-2.0	-105.29	341.20	6.54	-98.75
CCCCOC(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084388	1	38	-2.0	-107.27	334.67	5.67	-101.60
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OCCC(C)C)S1	REAL300004084389	1	41	-2.0	-107.20	352.24	6.19	-101.01
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OCC2CCCCO2)S1	REAL300004084390	1	43	-2.0	-110.38	366.88	5.41	-104.97
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OCC2CCCO2)S1	REAL300004084391	1	40	-2.0	-113.68	347.99	4.53	-109.15
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC=CN(CC3=CC=CC=C3)C2=O)S1	REAL300004084405	1	42	-2.0	-140.82	377.34	8.79	-132.03
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)CC2CCCCC2)S1	REAL300004084407	1	45	-2.0	-104.19	374.92	4.88	-99.31
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)CC2CCCCC2)S1	REAL300004084408	1	48	-2.0	-104.43	395.49	5.74	-98.69
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN2C(=O)CC(C)(C)C)S1	REAL300004084412	1	48	-2.0	-121.65	391.89	7.30	-114.35
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC=C2C)S1	REAL300004084413	1	41	-2.0	-108.08	338.57	7.38	-100.70
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C3OCCOC3=C2)S1	REAL300004084414	1	44	-2.0	-113.56	373.21	6.23	-107.33
CC1=NN(C)C(C)=C1C(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084416	1	41	-2.0	-111.28	347.85	5.24	-106.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCC2CCCO2)S1	REAL300004084417	1	37	-2.0	-112.18	327.76	3.83	-108.35
CC1=CN(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C2=CC=CC=C12	REAL300004084420	1	39	-2.0	-108.43	351.96	8.31	-100.12
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(OC2CCCC2)C2=CC=CC=C2)S1	REAL300004084430	1	46	-2.0	-110.70	393.56	9.15	-101.55
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(Cl)C(Cl)=C2)S1	REAL300004084433	1	38	-2.0	-102.60	361.42	8.09	-94.51
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSCC(=O)C2=CC=CC=C2)S1	REAL300004084434	1	38	-2.0	-113.21	360.61	7.33	-105.88
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)NS(C)(=O)=O)S1	REAL300004084438	1	36	-2.0	-101.38	319.49	0.49	-100.89
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC3=CC=CC=C3N2)S1	REAL300004084451	1	40	-2.0	-105.04	364.22	3.88	-101.16
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC(F)=C2)S1	REAL300004084460	1	35	-2.0	-104.40	320.23	6.76	-97.64
COC1=CC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=CC=C1[N+](=O)[O-]	REAL300004084465	1	39	-2.0	-104.10	360.53	6.66	-97.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(S(C)(=O)=O)CCCC2)S1	REAL300004084468	1	38	-2.0	-105.94	334.33	3.53	-102.41
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004084481	1	38	-2.0	-106.71	330.08	8.28	-98.43
CC1=CC=C(C(=O)NCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)S1	REAL300004084488	1	36	-2.0	-106.17	345.18	3.76	-102.41
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2CCS(=O)(=O)C2)S1	REAL300004084489	1	36	-2.0	-110.63	344.09	2.43	-108.20
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(CC2=CC=CC=C2)N2C=NN=N2)S1	REAL300004084504	1	40	-2.0	-99.87	365.43	6.81	-93.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(NC(=O)C2=CC=CS2)C(C)C)S1	REAL300004084513	1	42	-2.0	-104.83	371.49	5.88	-98.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C(C)C)C=C2)S1	REAL300004084519	1	42	-2.0	-107.75	365.23	7.84	-99.91
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C(C)(C)C)S1	REAL300004084523	1	45	-2.0	-109.19	376.21	8.44	-100.75
CC1=CC2=CC=CC=C2N1CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084526	1	39	-2.0	-108.21	349.13	8.07	-100.14
COCCSCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084533	1	33	-2.0	-104.46	314.31	3.52	-100.94
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)CC2=CC=CC(F)=C2)S1	REAL300004084534	1	39	-2.0	-105.82	362.27	4.72	-101.10
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(OC2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300004084535	1	43	-2.0	-112.62	383.09	9.55	-103.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2CCCCCCC2=O)S1	REAL300004084536	1	42	-2.0	-115.09	342.28	5.83	-109.26
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCC3=CC=CC=C32)S1	REAL300004084543	1	39	-2.0	-111.42	331.57	8.69	-102.73
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)S(C)(=O)=O)S1	REAL300004084546	1	31	-2.0	-120.56	295.00	1.17	-119.39
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)CCCC2=CC=CC=C2)S1	REAL300004084547	1	44	-2.0	-119.94	402.01	5.60	-114.34
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)C2CCCC2)S1	REAL300004084548	1	38	-2.0	-118.57	341.04	2.94	-115.63
CCCC(=O)N1CSCC1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084551	1	40	-2.0	-113.98	358.31	6.30	-107.68
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CSCN2C(=O)CC(C)(C)C)S1	REAL300004084552	1	46	-2.0	-113.41	390.43	7.12	-106.29
CCCCC(=O)N1CSCC1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084553	1	43	-2.0	-114.22	379.81	7.08	-107.14
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)NCC2=CC=C(Cl)C=C2)S1	REAL300004084557	1	41	-2.0	-103.74	388.53	3.87	-99.87
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)CCC(C)C)S1	REAL300004084558	1	41	-2.0	-103.77	355.64	3.68	-100.09
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=C2C(F)(F)F)S1	REAL300004084560	1	39	-2.0	-111.73	360.40	7.53	-104.20
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC(Cl)=CC(Cl)=C2)S1	REAL300004084561	1	36	-2.0	-103.44	357.16	7.54	-95.90
CCSC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C(C)C	REAL300004084563	1	38	-2.0	-108.14	333.88	6.68	-101.46
CC1=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)N=C(C2=CSC=C2)O1	REAL300004084564	1	38	-2.0	-112.42	363.45	4.14	-108.28
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)N2CCCCC2=O)S1	REAL300004084566	1	46	-2.0	-126.60	386.02	9.20	-117.40
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(NC(=O)CC(C)C)C2=CC=CC=C2)S1	REAL300004084567	1	48	-2.0	-108.03	413.50	7.10	-100.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC(C(F)(F)F)=C2)S1	REAL300004084568	1	41	-2.0	-109.90	368.24	8.10	-101.80
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCC3=CC=CC=C32)S1	REAL300004084572	1	36	-2.0	-109.39	319.87	7.24	-102.15
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(C(F)(F)F)=C3)CC2)S1	REAL300004084577	1	39	-2.0	-114.67	357.77	9.35	-105.32
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C3OCCOC3=C2)S1	REAL300004084581	1	41	-2.0	-109.20	358.29	5.84	-103.36
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(=O)NCCCC2=CC=CC=C2)S1	REAL300004084586	0	42	-2.0	-107.97	379.20	5.39	-102.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSCC(=O)NC2=CC=C(C)C=C2)S1	REAL300004084589	1	43	-2.0	-115.10	395.56	6.42	-108.68
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C)C=C2C)S1	REAL300004084591	1	39	-2.0	-108.78	347.29	7.33	-101.45
CC1=CC(NC(=O)CSCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=NO1	REAL300004084600	1	39	-2.0	-112.39	370.22	4.93	-107.46
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)S1	REAL300004084604	0	37	-2.0	-99.16	342.57	3.64	-95.52
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN2S(C)(=O)=O)S1	REAL300004084605	1	37	-2.0	-122.23	334.76	2.54	-119.69
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(Cl)=C2)S1	REAL300004084606	1	33	-2.0	-106.05	322.54	6.47	-99.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)SCC2=CC=CC=C2)S1	REAL300004084610	1	39	-2.0	-108.40	359.86	8.10	-100.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(C(C)C)C=C2)S1	REAL300004084611	1	42	-2.0	-106.14	374.83	8.50	-97.64
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C(F)(F)F)S1	REAL300004084613	1	36	-2.0	-111.25	342.51	6.96	-104.29
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(F)C=C2F)S1	REAL300004084614	1	33	-2.0	-106.63	318.45	6.09	-100.54
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(C(C)(C)C)=C2)S1	REAL300004084617	1	48	-2.0	-109.38	398.85	8.84	-100.54
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(Cl)C(C)=C2)S1	REAL300004084621	1	39	-2.0	-105.26	358.37	7.58	-97.68
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)N2C=CC=N2)S1	REAL300004084623	1	39	-2.0	-109.25	352.29	6.61	-102.64
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN2C(=O)C(C)(C)C)S1	REAL300004084632	1	45	-2.0	-123.89	367.83	5.96	-117.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CSC3(C)CCC(=O)N23)S1	REAL300004084633	1	38	-2.0	-115.16	346.02	5.00	-110.16
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(SCC2=CC=CC=C2)C(C)C)S1	REAL300004084634	1	45	-2.0	-108.95	397.17	9.96	-98.99
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2OCCC3=CC=CC=C32)S1	REAL300004084640	1	37	-2.0	-113.06	324.50	7.32	-105.74
COC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1OC	REAL300004084645	1	46	-2.0	-111.14	388.23	6.31	-104.83
COC1=CC=CC=C1C(C)(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084646	1	42	-2.0	-111.87	353.49	7.37	-104.50
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=CC([N+](=O)[O-])=N2)S1	REAL300004084647	1	31	-2.0	-110.64	306.78	5.23	-105.41
CCOCCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCCC1	REAL300004084648	1	45	-2.0	-108.97	369.83	7.22	-101.75
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3=CC=C(C)C=C3S2)S1	REAL300004084651	1	37	-2.0	-109.53	341.96	7.69	-101.84
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=C(Cl)C=C2)C(C)C)S1	REAL300004084659	1	41	-2.0	-103.63	365.07	9.35	-94.28
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN2C(=O)OC(C)(C)C)S1	REAL300004084664	1	46	-2.0	-121.10	386.82	5.86	-115.24
CCC(OC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084665	1	39	-2.0	-109.26	338.06	7.09	-102.17
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC3=CC=CC=C32)S1	REAL300004084666	1	39	-2.0	-111.96	350.08	8.22	-103.74
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCCC2)S1	REAL300004084667	1	42	-2.0	-116.60	352.45	8.75	-107.85
CCC1=CC=CC(OCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1	REAL300004084668	1	39	-2.0	-108.59	347.93	7.36	-101.23
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C(C)C)S1	REAL300004084672	1	42	-2.0	-110.10	363.65	7.88	-102.22
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC=C(C)C=C2C)S1	REAL300004084675	1	39	-2.0	-107.41	355.31	7.86	-99.55
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)S1	REAL300004084676	1	49	-2.0	-113.90	378.64	8.33	-105.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSCC2=CC=C(F)C=C2)S1	REAL300004084679	1	36	-2.0	-105.59	347.73	7.59	-98.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCCN2C(=O)OC(C)(C)C)S1	REAL300004084683	1	49	-2.0	-121.19	397.16	6.86	-114.33
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)OC(C)(C)C)S1	REAL300004084684	1	42	-2.0	-103.83	361.82	3.20	-100.63
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(NC(=O)OC(C)(C)C)C(C)C)S1	REAL300004084685	1	48	-2.0	-103.05	390.14	5.22	-97.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)S1	REAL300004084686	1	51	-2.0	-103.75	416.53	6.01	-97.74
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)OC(C)(C)C)S1	REAL300004084687	1	39	-2.0	-102.94	340.49	2.25	-100.69
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3=CC=CC=C32)S1	REAL300004084690	1	33	-2.0	-109.97	302.61	6.73	-103.24
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)NC(=O)OC(C)(C)C)S1	REAL300004084692	1	45	-2.0	-102.28	374.49	3.66	-98.62
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN(C)C(=O)OC(C)(C)C)S1	REAL300004084693	1	42	-2.0	-110.72	361.51	5.15	-105.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)S1	REAL300004084701	1	51	-2.0	-103.78	407.20	6.00	-97.78
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(NC(=O)OC(C)(C)C)CCCC2)S1	REAL300004084702	1	49	-2.0	-116.85	395.89	5.85	-111.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)C(C)C)S1	REAL300004084703	1	41	-2.0	-107.96	348.35	8.83	-99.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=C2F)S1	REAL300004084705	1	36	-2.0	-112.05	329.15	6.55	-105.50
CCCCS(=O)(=O)N1CCCC1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084706	1	46	-2.0	-122.45	399.22	5.01	-117.44
CCCCSCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084707	1	35	-2.0	-105.31	323.63	6.02	-99.29
CCC(OC1CCCCC1)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084709	1	45	-2.0	-110.06	367.39	7.31	-102.75
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=CC=C2F)S1	REAL300004084713	1	36	-2.0	-111.59	333.44	6.68	-104.91
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(SC3=CC=C(C)C=C3)CCCC2)S1	REAL300004084714	1	46	-2.0	-110.75	392.30	9.52	-101.23
CC1=NN(C)C(C)=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084715	1	39	-2.0	-110.89	352.97	4.86	-106.03
COC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1C	REAL300004084718	1	40	-2.0	-107.82	354.60	5.95	-101.87
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(OCC3=CC=CC=C3)CCOCC2)S1	REAL300004084720	1	47	-2.0	-113.67	397.09	6.42	-107.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCC(CC2Br)C3)S1	REAL300004084721	1	36	-2.0	-111.13	325.07	6.49	-104.64
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC(OCC(C)C)=C2)S1	REAL300004084722	1	46	-2.0	-109.64	398.76	7.68	-101.96
CCS(=O)(=O)CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084726	1	31	-2.0	-118.55	299.87	1.04	-117.51
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C)S1	REAL300004084728	1	42	-2.0	-103.66	361.05	3.16	-100.50
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)S1	REAL300004084729	1	49	-2.0	-121.19	397.14	6.86	-114.33
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)S1	REAL300004084730	1	46	-2.0	-121.16	386.88	5.86	-115.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)S1	REAL300004084731	1	49	-2.0	-120.97	395.88	6.78	-114.19
COC1=CC=CC(C(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1	REAL300004084732	1	39	-2.0	-108.51	342.54	5.94	-102.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3C)CCOCC2)S1	REAL300004084733	1	46	-2.0	-108.26	368.19	6.82	-101.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCCC(C)C)S1	REAL300004084735	1	38	-2.0	-106.41	331.25	5.45	-100.96
CC1=NC([N+](=O)[O-])=CN1CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084736	1	34	-2.0	-102.16	328.93	6.68	-95.48
CCOC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004084738	1	39	-2.0	-109.18	350.90	7.15	-102.03
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3C)CCCCC2)S1	REAL300004084744	1	48	-2.0	-109.70	375.59	9.10	-100.60
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CSCN2C(=O)OC(C)(C)C)S1	REAL300004084747	1	44	-2.0	-112.52	384.19	6.06	-106.46
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=C(Cl)C=CC=C2Cl)S1	REAL300004084748	1	35	-2.0	-109.28	335.30	7.39	-101.89
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)S1	REAL300004084750	1	51	-2.0	-103.78	407.20	6.00	-97.78
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2CN(C(=O)OC(C)(C)C)C2)S1	REAL300004084754	1	47	-2.0	-108.05	405.81	5.08	-102.97
CCC(OC1=CC=CC=C1Cl)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084755	1	39	-2.0	-109.95	353.64	7.61	-102.34
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C3CCCCC3=C2)S1	REAL300004084757	1	43	-2.0	-108.90	367.77	8.41	-100.49
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NN(C3=CC=CC=C3)C=C2)S1	REAL300004084764	1	39	-2.0	-118.13	354.15	7.29	-110.84
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)S(=O)(=O)C2CCOCC2)S1	REAL300004084765	1	42	-2.0	-104.40	366.81	2.33	-102.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3)CC3CCC2C3)S1	REAL300004084766	1	49	-2.0	-120.03	390.95	9.69	-110.34
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC3=CC=CC=C3O2)S1	REAL300004084771	1	38	-2.0	-112.84	344.03	7.67	-105.17
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C(C)C)N2CCCS2(=O)=O)S1	REAL300004084776	1	43	-2.0	-117.75	370.16	3.93	-113.82
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C(Cl)=C3)CCC2)S1	REAL300004084777	1	39	-2.0	-109.97	367.07	9.48	-100.49
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)CNC(=O)OC(C)(C)C)S1	REAL300004084778	1	48	-2.0	-108.85	398.70	4.47	-104.38
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)CC2=CC=CC(Cl)=C2)S1	REAL300004084780	1	41	-2.0	-106.67	366.62	8.29	-98.38
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC(C(F)(F)F)=C1	REAL300004084781	1	41	-2.0	-103.13	368.39	9.26	-93.87
COC1=CC=C(C(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1OC	REAL300004084782	1	43	-2.0	-108.25	372.54	5.89	-102.36
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC(Cl)=C2)C(C)C)S1	REAL300004084794	1	41	-2.0	-104.18	364.29	9.30	-94.88
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=NC(C3=CC=C(C)C=C3)=N2)S1	REAL300004084795	1	40	-2.0	-108.09	369.98	5.84	-102.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=NC(C3=CC=C(Cl)C=C3)=N2)S1	REAL300004084796	1	37	-2.0	-104.33	364.53	5.65	-98.68
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2CC(C)CCC2C(C)C)S1	REAL300004084809	1	51	-2.0	-110.52	406.20	8.49	-102.03
CCC(C)C1=CC=CC=C1OCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084810	1	45	-2.0	-110.56	382.10	8.54	-102.02
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CSC3=CC=CC=C32)S1	REAL300004084812	1	34	-2.0	-107.56	320.22	6.98	-100.58
CCC(OC1=CC=CC=C1C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084814	1	42	-2.0	-109.59	357.68	7.79	-101.80
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC(Cl)=C3)CCCC2)S1	REAL300004084818	1	45	-2.0	-108.12	388.42	10.91	-97.21
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3)CCC2)S1	REAL300004084819	1	42	-2.0	-108.67	357.33	9.95	-98.72
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3)CC2)S1	REAL300004084821	1	39	-2.0	-106.01	340.68	9.76	-96.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC(C)C)CCC2)S1	REAL300004084823	1	41	-2.0	-109.93	333.31	7.36	-102.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC(Cl)=C2)S1	REAL300004084826	1	35	-2.0	-104.50	330.55	7.21	-97.29
CCC(OC1CCCC(C)C1)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084827	1	48	-2.0	-111.71	386.14	8.01	-103.70
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NN(C3=CC=C(F)C=C3)C=C2)S1	REAL300004084829	1	39	-2.0	-115.00	360.57	7.36	-107.64
COC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004084832	1	42	-2.0	-109.70	358.99	6.41	-103.29
COCCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCCC1	REAL300004084836	1	42	-2.0	-108.17	347.97	6.25	-101.92
CCC(OC1=CC=CC(C)=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084842	1	42	-2.0	-109.95	359.15	7.81	-102.14
COCCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCC1	REAL300004084844	1	39	-2.0	-110.50	336.99	4.70	-105.80
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(S(C)(=O)=O)C=C2)S1	REAL300004084845	1	39	-2.0	-113.03	365.72	3.44	-109.59
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C3CCCC3=C2)S1	REAL300004084848	1	43	-2.0	-109.57	368.42	8.38	-101.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=CC=C2)S1	REAL300004084852	1	36	-2.0	-109.25	338.68	7.32	-101.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2CCCS2(=O)=O)S1	REAL300004084854	1	34	-2.0	-118.43	318.71	0.93	-117.50
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(NC(=O)OC(C)(C)C)CC2)S1	REAL300004084857	1	43	-2.0	-112.59	373.50	3.76	-108.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=C([N+](=O)[O-])C=N2)S1	REAL300004084861	1	31	-2.0	-103.66	306.50	4.28	-99.38
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NN(C3=CC=CC=C3)N=C2)S1	REAL300004084875	1	38	-2.0	-114.31	349.81	5.94	-108.37
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)S1	REAL300004084877	1	49	-2.0	-112.88	414.99	7.74	-105.14
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSCC2=CC=CS2)S1	REAL300004084889	1	33	-2.0	-106.54	330.78	6.57	-99.97
CCOC1=CC=C(SCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004084891	1	40	-2.0	-105.39	365.97	6.80	-98.59
COC1=CC=C(SCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004084898	1	37	-2.0	-105.63	344.11	5.87	-99.76
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(C)C=C2Br)S1	REAL300004084900	1	36	-2.0	-108.53	346.86	7.23	-101.30
CCOC1=CC=C(OC(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004084902	1	46	-2.0	-107.60	384.93	7.01	-100.59
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C3=CC=CC=C23)S1	REAL300004084906	1	39	-2.0	-107.05	364.43	8.63	-98.42
CCCCCS(=O)(=O)CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084909	1	40	-2.0	-117.89	364.37	3.40	-114.49
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCN(C(=O)OC(C)(C)C)CC2)S1	REAL300004084910	1	52	-2.0	-109.19	415.57	6.71	-102.48
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC=C2Cl)S1	REAL300004084912	1	38	-2.0	-110.02	336.88	7.31	-102.71
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC(C)=C(Cl)C(C)=C2)S1	REAL300004084916	1	39	-2.0	-105.20	359.20	7.59	-97.61
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COCCN2C(=O)OC(C)(C)C)S1	REAL300004084920	1	47	-2.0	-119.79	388.40	4.42	-115.37
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCCN2C(=O)OC(C)(C)C)S1	REAL300004084921	1	49	-2.0	-120.66	398.66	7.19	-113.47
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)CC2=CC=CC=C2)S1	REAL300004084924	1	41	-2.0	-107.61	349.11	7.74	-99.87
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C)C=C3)CCOCC2)S1	REAL300004084925	1	46	-2.0	-109.24	376.57	7.70	-101.54
CCC(SC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084927	1	39	-2.0	-108.57	353.01	7.75	-100.82
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2CCCC2)S1	REAL300004084930	1	39	-2.0	-108.25	332.43	6.06	-102.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2CCCCCC2)S1	REAL300004084934	1	45	-2.0	-108.10	360.11	7.01	-101.09
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=NN=CN2C(C)C)S1	REAL300004084936	1	38	-2.0	-111.19	354.82	7.14	-104.05
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCCN2C(=O)C2=CC=CC=C2)S1	REAL300004084938	1	46	-2.0	-128.51	389.46	8.60	-119.91
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC3=NC=CN23)S1	REAL300004084945	1	32	-2.0	-104.80	313.04	5.72	-99.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(=O)C2=CN(C3=CC=CC=C3)N=C2)S1	REAL300004084951	0	38	-2.0	-111.41	354.38	6.52	-104.89
COCCCS(=O)(=O)NCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004084956	1	40	-2.0	-110.05	369.24	-0.62	-110.67
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSCC(F)(F)F)S1	REAL300004084981	1	29	-2.0	-103.57	300.32	4.92	-98.65
CC1=CSC2=NC=C(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)C(=O)N12	REAL300004084990	1	34	-2.0	-128.09	324.35	5.66	-122.43
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC3=C(CCC3)S2)S1	REAL300004084999	1	40	-2.0	-106.55	369.26	4.99	-101.56
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC=CN(C)C2=O)S1	REAL300004085004	1	32	-2.0	-134.81	297.45	4.88	-129.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCC3=C2C=CS3)S1	REAL300004085010	1	36	-2.0	-109.54	323.86	7.58	-101.96
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Cl)S2)S1	REAL300004085014	1	32	-2.0	-103.41	322.83	6.51	-96.90
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2C3=CC=CC=C3OC3=CC=CC=C32)S1	REAL300004085030	1	41	-2.0	-113.39	365.68	8.74	-104.65
COC1=CC=C(C(=O)NCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004085032	1	40	-2.0	-105.57	360.64	3.27	-102.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC(=O)NC3=CC=CC=C32)S1	REAL300004085033	1	35	-2.0	-107.54	319.90	5.53	-102.01
COC1=CC=C(C(=O)NCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1OC	REAL300004085034	1	44	-2.0	-106.37	389.85	3.18	-103.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=C(C(C)(C)C)C=C2)S1	REAL300004085035	1	48	-2.0	-105.76	407.35	6.29	-99.47
CCOC1=CC=CC=C1C(=O)NCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004085037	1	43	-2.0	-111.56	379.65	5.41	-106.15
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=CS2)S1	REAL300004085038	1	33	-2.0	-105.64	322.61	2.93	-102.71
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=CC(F)=C2)S1	REAL300004085039	1	36	-2.0	-104.63	337.65	4.04	-100.59
COC1=CC=CC(C(=O)NCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1	REAL300004085040	1	40	-2.0	-107.67	360.72	3.27	-104.40
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=C3OCOC3=C2)S1	REAL300004085041	1	39	-2.0	-105.20	356.49	2.60	-102.60
CCOC1=CC=C(C(=O)NCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004085042	1	43	-2.0	-105.15	381.72	4.17	-100.98
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)C2=CC=C([N+](=O)[O-])C(C)=C2)S1	REAL300004085043	1	41	-2.0	-101.72	375.38	5.15	-96.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC=C(C3=CC=CO3)NC2=O)S1	REAL300004085052	1	36	-2.0	-128.62	336.14	4.72	-123.90
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COC3=CC=C(F)C=C3C2)S1	REAL300004085070	1	37	-2.0	-102.27	333.40	6.04	-96.23
CCOCCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCC1	REAL300004085075	1	42	-2.0	-111.22	359.20	5.58	-105.64
CCC1=NNC(=O)C(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1CC	REAL300004085078	1	40	-2.0	-121.25	345.34	4.30	-116.95
CC1=C(C)N2C(=NC=C(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)C2=O)S1	REAL300004085088	1	37	-2.0	-127.33	344.55	6.41	-120.92
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004085090	1	36	-2.0	-109.02	328.26	6.19	-102.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2CCCC2)S1	REAL300004085092	1	41	-2.0	-108.53	329.41	6.63	-101.90
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCCCCC2)S1	REAL300004085093	1	41	-2.0	-107.34	317.56	7.23	-100.11
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Br)C=C2)S1	REAL300004085100	1	35	-2.0	-103.95	335.10	7.32	-96.63
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=C(F)C=C1	REAL300004085107	1	38	-2.0	-105.02	339.79	7.45	-97.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(NS(C)(=O)=O)C(C)(C)C)S1	REAL300004085115	1	42	-2.0	-102.34	364.60	2.13	-100.21
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC(=O)NCC(F)(F)F)S1	REAL300004085119	1	32	-2.0	-109.44	313.00	3.36	-106.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CC3=C(C=CC4=C3C=CC=C4)O2)S1	REAL300004085121	1	41	-2.0	-113.26	370.62	8.93	-104.33
CCOC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004085123	0	39	-2.0	-115.79	355.43	6.55	-109.24
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC=CC=C3F)C(=O)C=C2)S1	REAL300004085136	1	38	-2.0	-114.67	358.75	6.09	-108.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCN2C(=O)NC(C)C)S1	REAL300004085149	1	44	-2.0	-127.27	375.71	4.32	-122.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COC3=CC=C(Br)C=C32)S1	REAL300004085153	1	34	-2.0	-106.46	332.63	5.81	-100.65
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3F)CCC2)S1	REAL300004085154	1	39	-2.0	-105.53	343.38	8.29	-97.24
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3F)CCCC2)S1	REAL300004085155	1	42	-2.0	-105.61	359.21	8.81	-96.80
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(OC2=CC=CC(Cl)=C2)C(C)C)S1	REAL300004085159	1	42	-2.0	-107.36	369.47	9.02	-98.34
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN(C)S(=O)(=O)C2=CC=CN=C2)S1	REAL300004085163	1	39	-2.0	-114.55	367.17	2.07	-112.48
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)S1	REAL300004085165	0	37	-2.0	-93.84	348.98	3.70	-90.14
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NC(CC(=O)[O-])=C(C)S1	REAL300004085170	1	43	-2.0	-100.72	385.54	5.32	-95.40
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H](C)NC(=O)C2CCCCC2)S1	REAL300004085171	1	45	-2.0	-104.32	376.81	5.04	-99.28
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC=CC(=O)N2C)S1	REAL300004085200	1	32	-2.0	-101.68	292.74	4.30	-97.38
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC=C2)S1	REAL300004085210	1	35	-2.0	-107.53	313.81	6.70	-100.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H](C)C2=CC=CC=C2)S1	REAL300004085223	1	35	-2.0	-107.43	313.04	6.66	-100.77
CO[C@@H](C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004085224	1	36	-2.0	-108.99	328.27	6.17	-102.82
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=C(OC)C=C1	REAL300004085232	1	42	-2.0	-108.18	362.88	6.68	-101.50
CCC1=CC=C(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004085241	1	44	-2.0	-109.78	372.40	8.55	-101.23
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=C(C)C(C)=NN(C)C2=O)S1	REAL300004085252	1	37	-2.0	-123.20	327.47	4.38	-118.82
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=C(C)N=C(C(C)(C)C)NC2=O)S1	REAL300004085253	1	43	-2.0	-123.63	368.11	5.34	-118.29
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(OC3=CC=CC=N3)C=C2)S1	REAL300004085254	1	43	-2.0	-110.24	391.68	6.28	-103.96
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2Br)S1	REAL300004085297	1	33	-2.0	-108.76	325.46	6.56	-102.20
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(=O)COC2=CC=CC=C2)S1	REAL300004085301	1	40	-2.0	-106.96	364.78	4.54	-102.42
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)NC(=O)C2=CC=CO2)S1	REAL300004085302	1	36	-2.0	-107.40	335.25	2.79	-104.61
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCC(=O)N2C2=CC=CC=C2S3)S1	REAL300004085307	1	39	-2.0	-110.57	361.95	6.71	-103.86
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCCS2(=O)=O)S1	REAL300004085315	1	35	-2.0	-122.80	319.16	1.81	-120.99
CC(=O)N(CCC1=CC=CC=C1)CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004085320	1	45	-2.0	-104.77	395.83	7.88	-96.89
COC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCCCC1	REAL300004085334	1	39	-2.0	-109.05	324.10	4.85	-104.20
COC1=CC2=CC=C([C@H](C)C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)C=C2C=C1	REAL300004085335	1	45	-2.0	-109.65	388.29	8.20	-101.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H](C)C2=CC=CC=C2)S1	REAL300004085336	1	35	-2.0	-108.00	313.04	6.66	-101.34
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)C2CC2)S1	REAL300004085348	1	39	-2.0	-108.70	345.56	8.17	-100.53
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=C(F)C=CC=C2F)S1	REAL300004085349	1	35	-2.0	-112.71	321.16	6.70	-106.01
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3F)CC2)S1	REAL300004085354	1	39	-2.0	-102.53	347.25	9.70	-92.83
CCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCCCC1	REAL300004085357	1	41	-2.0	-108.06	325.06	7.61	-100.45
CCOC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCCC1	REAL300004085360	1	39	-2.0	-109.84	328.97	5.06	-104.78
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC3=CC=CC=C32)S1	REAL300004085368	1	42	-2.0	-112.40	367.70	8.82	-103.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(S(C)(=O)=O)CCC2)S1	REAL300004085372	1	35	-2.0	-110.35	321.50	2.32	-108.03
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CC2)S1	REAL300004085380	1	39	-2.0	-107.64	357.42	9.33	-98.31
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(Cl)C=C2F)S1	REAL300004085394	1	38	-2.0	-108.56	347.75	7.56	-101.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3Cl)CC2)S1	REAL300004085398	1	39	-2.0	-101.87	354.78	10.05	-91.82
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC(F)=C3)CCC2)S1	REAL300004085401	1	42	-2.0	-105.43	360.76	9.95	-95.48
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(F)C2=CC=C(C(F)(F)F)C=C2)S1	REAL300004085404	1	35	-2.0	-101.82	339.55	7.18	-94.64
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)COCC2=CC=CC=C2)S1	REAL300004085406	1	45	-2.0	-105.88	390.67	7.61	-98.27
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COC3=C2C=C(C)C(C)=C3)S1	REAL300004085408	1	40	-2.0	-111.03	350.40	6.41	-104.62
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)S1	REAL300004085410	1	38	-2.0	-106.86	361.97	7.21	-99.65
COC1=CC=C2OCC(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)CC2=C1	REAL300004085420	1	41	-2.0	-105.87	356.51	5.25	-100.62
C=CCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCOCC1	REAL300004085429	1	40	-2.0	-106.27	331.58	5.82	-100.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NN(C)C3=CC=CC=C32)S1	REAL300004085436	1	38	-2.0	-114.39	346.07	5.99	-108.40
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(OC3=CC=CC=C3)CC2)S1	REAL300004085440	1	37	-2.0	-102.82	335.43	7.56	-95.26
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=C(F)C=CC=C3F)CCC2)S1	REAL300004085441	1	39	-2.0	-113.89	349.56	7.88	-106.01
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=NN=C2C2=CSC=C2)S1	REAL300004085452	1	34	-2.0	-103.84	330.12	4.04	-99.80
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NC(C3CC3)=NN2C)S1	REAL300004085454	1	38	-2.0	-109.37	344.68	5.56	-103.81
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCN2C(=O)C2CC2)S1	REAL300004085456	1	40	-2.0	-124.74	347.11	6.34	-118.40
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCC3=CC=CC=C32)S1	REAL300004085457	1	39	-2.0	-109.47	338.55	7.71	-101.76
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C)C=C3)CCC2)S1	REAL300004085458	1	42	-2.0	-112.28	356.54	9.18	-103.10
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3F)CCC2)S1	REAL300004085459	1	39	-2.0	-116.61	338.11	9.06	-107.55
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC=C(F)C=C32)S1	REAL300004085460	1	36	-2.0	-107.50	336.46	7.70	-99.80
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCC3=CC(Br)=CC=C32)S1	REAL300004085465	1	36	-2.0	-105.31	341.17	7.87	-97.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COCCN2CC(F)(F)F)S1	REAL300004085467	1	38	-2.0	-107.51	329.83	1.68	-105.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCCC2=CC=CC(F)=C2)S1	REAL300004085485	1	39	-2.0	-107.35	359.28	7.29	-100.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCC(C)C2=CC=CC=C2)S1	REAL300004085486	1	42	-2.0	-107.40	368.91	7.71	-99.69
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCC3=C(O)C=CC=C32)S1	REAL300004085488	1	40	-2.0	-109.78	341.27	5.93	-103.85
CCC1CCCCC1OCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004085489	1	45	-2.0	-109.74	369.49	7.45	-102.29
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCS(=O)(=O)N2)S1	REAL300004085492	1	31	-2.0	-106.53	296.26	-1.22	-107.75
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(N3C=NN=N3)CCCCC2)S1	REAL300004085500	1	40	-2.0	-97.58	337.89	6.20	-91.38
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3Cl)CCC2)S1	REAL300004085501	1	39	-2.0	-110.85	351.76	8.04	-102.81
CCN1C=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=N1	REAL300004085511	1	35	-2.0	-114.89	319.67	4.75	-110.14
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1Br	REAL300004085512	1	36	-2.0	-109.43	342.66	7.23	-102.20
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C)C(C)=C3)CCOCC2)S1	REAL300004085528	1	49	-2.0	-110.01	393.63	8.24	-101.77
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CCC2)S1	REAL300004085529	1	42	-2.0	-107.70	373.88	9.50	-98.20
COC1=CC=C2CCCC(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)C2=C1	REAL300004085543	1	43	-2.0	-118.07	361.11	7.99	-110.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCS2(=O)=O)S1	REAL300004085547	1	32	-2.0	-115.66	298.11	2.27	-113.39
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=CC=C2OC(C)C)S1	REAL300004085549	0	42	-2.0	-116.48	373.23	7.18	-109.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=C(C)C3=CC=CC=C3C(=O)N2)S1	REAL300004085550	1	38	-2.0	-110.91	336.67	5.37	-105.54
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(Cl)C=C2)S1	REAL300004085551	1	35	-2.0	-103.94	330.54	7.22	-96.72
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)CC(F)(F)F)S1	REAL300004085570	1	34	-2.0	-101.22	305.05	5.30	-95.92
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COCC2C2=CC=CC=C2)S1	REAL300004085571	1	40	-2.0	-110.00	348.57	5.99	-104.01
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC2COC3(C)C)S1	REAL300004085573	1	37	-2.0	-110.02	312.20	5.10	-104.92
COC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCC(F)(F)CC1	REAL300004085575	1	39	-2.0	-100.44	324.95	7.25	-93.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=C(C3CC3)C=N2)S1	REAL300004085577	1	36	-2.0	-110.09	328.40	5.73	-104.36
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(N3C=NN=N3)CC2)S1	REAL300004085582	1	31	-2.0	-96.60	292.70	4.48	-92.12
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CCCCC2)S1	REAL300004085597	1	38	-2.0	-106.60	327.47	6.68	-99.92
CCCCC(C)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004085598	1	37	-2.0	-106.49	323.84	5.98	-100.51
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004085599	0	36	-2.0	-114.69	334.34	5.67	-109.02
COCCCN1N=C(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=CC1=O	REAL300004085602	1	41	-2.0	-106.39	371.80	3.25	-103.14
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1CCOC1	REAL300004085606	1	37	-2.0	-106.99	315.55	3.87	-103.12
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NN(C(C)(C)C)N=N2)S1	REAL300004085607	1	39	-2.0	-111.50	350.25	3.74	-107.76
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)N2C=CC=N2)S1	REAL300004085611	1	35	-2.0	-105.53	315.52	4.67	-100.86
COC1=CC=C(OC(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1	REAL300004085612	1	43	-2.0	-107.01	363.95	6.09	-100.92
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(CC(C)C)C2=CC=C(Cl)C=C2)S1	REAL300004085613	1	44	-2.0	-105.29	388.19	9.07	-96.22
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(N3C=NN=N3)CCOCC2)S1	REAL300004085615	1	38	-2.0	-95.63	329.84	3.74	-91.89
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=CC=C2)S1	REAL300004085618	1	39	-2.0	-107.70	334.35	6.85	-100.85
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3C)CCC2)S1	REAL300004085619	1	42	-2.0	-109.85	353.62	8.15	-101.70
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1CCCC1	REAL300004085627	1	39	-2.0	-108.82	324.89	6.45	-102.37
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3=CC=CC=C3CO2)S1	REAL300004085629	1	37	-2.0	-110.38	329.95	6.58	-103.80
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1CCCCC1	REAL300004085630	1	42	-2.0	-109.68	343.92	7.00	-102.68
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=C(F)C=C1	REAL300004085639	1	36	-2.0	-105.10	335.45	6.27	-98.83
CCCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC(Cl)=C1	REAL300004085640	1	41	-2.0	-104.25	367.56	9.51	-94.74
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3=C(Cl)C=CC=C32)S1	REAL300004085641	1	33	-2.0	-106.50	319.30	7.24	-99.26
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC=C(C)C=C2)S1	REAL300004085646	1	42	-2.0	-109.59	371.99	7.83	-101.76
CCCC(OCC)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004085648	1	38	-2.0	-107.04	334.32	5.71	-101.33
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COC3=CC(F)=CC=C3C2)S1	REAL300004085653	1	37	-2.0	-102.04	333.41	6.04	-96.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC=CC=C2C)S1	REAL300004085655	1	42	-2.0	-110.74	366.75	7.85	-102.89
CCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCC(F)(F)CC1	REAL300004085656	1	41	-2.0	-102.61	336.17	7.75	-94.86
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2OCCO[C@@H]2C2=CC=CC=C2)S1	REAL300004085658	1	41	-2.0	-111.73	348.20	7.15	-104.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CC=C(C)CC2)S1	REAL300004085659	1	39	-2.0	-108.57	327.14	6.54	-102.03
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2C[C@H]2OC(C)(C)C)S1	REAL300004085660	1	39	-2.0	-107.22	337.47	4.97	-102.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCCCCC2)S1	REAL300004085667	1	48	-2.0	-111.38	373.42	9.74	-101.64
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C(C)(F)F)CC2)S1	REAL300004085675	1	32	-2.0	-107.99	297.45	5.86	-102.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CCOCC2)S1	REAL300004085676	1	36	-2.0	-103.25	319.05	4.34	-98.91
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC(F)=CC(F)=C3)CCCC2)S1	REAL300004085682	1	42	-2.0	-110.30	364.40	8.91	-101.39
CCOC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCOCC1	REAL300004085689	1	40	-2.0	-106.37	327.89	5.63	-100.74
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(F)(F)N2C=C(C3=CC=CC=C3)N=N2)S1	REAL300004085700	0	38	-2.0	-108.22	360.80	5.83	-102.39
CCCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=C(Cl)C=C1	REAL300004085710	1	41	-2.0	-103.61	368.32	9.57	-94.04
COC1=CC=CC(C(OC)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1	REAL300004085712	1	40	-2.0	-111.09	358.72	5.49	-105.60
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCC3=CC(F)=CC=C32)S1	REAL300004085722	1	36	-2.0	-105.25	326.29	7.31	-97.94
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCC2=CC=CC=C2C)S1	REAL300004085724	1	39	-2.0	-110.14	346.76	7.09	-103.05
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCC2=CC(C)=CC=C2)S1	REAL300004085725	1	39	-2.0	-109.00	352.77	7.11	-101.89
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCC2=CC=C(C)C=C2)S1	REAL300004085726	1	39	-2.0	-108.86	352.77	7.12	-101.74
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H](C)OC2=CC=C(Cl)C=C2Cl)S1	REAL300004085730	1	36	-2.0	-105.50	355.43	7.56	-97.94
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCCCC1	REAL300004085738	1	42	-2.0	-112.51	343.59	5.81	-106.70
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CC2(C)C)S1	REAL300004085739	1	42	-2.0	-110.42	358.56	8.52	-101.90
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(Cl)=C3)CC(C)C2)S1	REAL300004085742	1	42	-2.0	-113.15	372.40	9.68	-103.47
COC1=CC=C(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)CCC2)C=C1OC	REAL300004085743	1	47	-2.0	-113.21	393.87	7.72	-105.49
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=C(Cl)C=CC=C3Cl)CCC2)S1	REAL300004085744	1	39	-2.0	-109.84	361.15	8.68	-101.16
COC1=CC=C(C(=O)NC2=NC(CC(=O)[O-])=C(C)S2)C([O-])=C1	REAL300004085745	1	34	-2.0	-106.30	309.42	5.32	-100.98
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300004085747	1	48	-2.0	-110.99	403.66	10.53	-100.46
COC(C)(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1F	REAL300004085748	1	39	-2.0	-109.77	335.09	6.65	-103.12
CCC(C)C(OC)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004085752	1	38	-2.0	-105.87	324.00	6.08	-99.79
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CC[C@H](CC3=CC=CC=C3)O2)S1	REAL300004085760	1	43	-2.0	-112.63	374.18	8.15	-104.48
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCCCO3)CCC2)S1	REAL300004085765	1	43	-2.0	-113.54	350.84	7.50	-106.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CCC2)S1	REAL300004085766	1	41	-2.0	-107.92	363.37	9.17	-98.75
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC(C(F)(F)F)=N2)S1	REAL300004085767	1	40	-2.0	-107.31	366.87	6.59	-100.72
CC1=CN(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)N=C1C(F)(F)F	REAL300004085778	1	35	-2.0	-108.07	337.94	5.16	-102.91
CC1=NOC(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)CCOCC2)=C1	REAL300004085786	1	42	-2.0	-103.04	358.99	4.99	-98.05
CCOC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C(C)C	REAL300004085787	1	38	-2.0	-107.43	325.62	6.15	-101.28
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN2CC2=CC=C(Cl)C=C2)S1	REAL300004085792	1	44	-2.0	-113.19	384.30	6.35	-106.84
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CC3(CCC3)C2)S1	REAL300004085804	1	46	-2.0	-113.93	380.39	10.24	-103.69
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C(F)F)CCC2)S1	REAL300004085805	1	32	-2.0	-102.55	294.46	5.26	-97.29
CC1=CN(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)N=C1C(F)(F)F	REAL300004085806	1	41	-2.0	-102.65	373.90	6.17	-96.48
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2CCCCO2)S1	REAL300004085807	1	42	-2.0	-105.58	341.35	5.39	-100.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2C(C)OC(C)C2C)S1	REAL300004085810	1	39	-2.0	-107.50	320.93	5.34	-102.16
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2=CC=C(Cl)C(F)=C2)S1	REAL300004085811	1	40	-2.0	-102.13	371.89	6.94	-95.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@]23CCC[C@H]2OCC3)S1	REAL300004085812	1	37	-2.0	-107.27	313.76	4.33	-102.94
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(CC2=CC=CC=C2)C(C)C)S1	REAL300004085813	1	47	-2.0	-110.72	374.68	8.68	-102.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3C)CCCC2)S1	REAL300004085814	1	45	-2.0	-110.94	364.94	8.61	-102.33
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)COC3=CC=CC=C3O2)S1	REAL300004085824	1	38	-2.0	-111.84	337.80	5.33	-106.51
CC1=CN2C=C(CC(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)N=C2S1	REAL300004085825	1	35	-2.0	-118.68	334.59	6.74	-111.94
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CC3CCC2C3)S1	REAL300004085827	1	39	-2.0	-110.45	316.72	6.43	-104.02
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCC(F)(F)CC2)S1	REAL300004085828	1	38	-2.0	-106.54	323.69	6.16	-100.38
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(CCC(F)(F)F)=N2)S1	REAL300004085831	1	37	-2.0	-107.00	363.83	5.71	-101.29
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)N2C=CC(C(F)(F)F)=N2)S1	REAL300004085833	1	35	-2.0	-98.06	335.83	4.93	-93.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC(C)=CC=C2)S1	REAL300004085839	1	42	-2.0	-109.75	372.76	7.86	-101.89
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)S1	REAL300004085847	1	34	-2.0	-107.62	306.99	4.11	-103.51
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=C(Br)C=C1	REAL300004085849	1	38	-2.0	-105.12	354.69	8.01	-97.11
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3=CC=C(Cl)C=C32)S1	REAL300004085853	1	33	-2.0	-108.93	319.37	7.25	-101.68
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=CC=CC2=O)S1	REAL300004085860	1	32	-2.0	-117.15	301.06	4.78	-112.37
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2CCCCC2=O)S1	REAL300004085862	1	36	-2.0	-114.07	317.37	4.48	-109.59
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCC2=CC=NN2C)S1	REAL300004085871	1	36	-2.0	-109.52	331.43	4.09	-105.43
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=CC(C)=CC2=O)S1	REAL300004085873	1	35	-2.0	-114.73	322.51	5.43	-109.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CN=C2)S1	REAL300004085877	1	37	-2.0	-106.41	324.60	5.31	-101.10
CCOC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1CCOC1	REAL300004085882	1	40	-2.0	-109.15	338.40	4.44	-104.71
COC1=CC=CC(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1	REAL300004085886	1	42	-2.0	-113.71	359.00	6.41	-107.30
CCN1CCOCC1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004085902	1	38	-2.0	-107.30	318.75	1.36	-105.94
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COCCN2C2CCCC2)S1	REAL300004085904	1	45	-2.0	-110.84	360.62	3.33	-107.51
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN2C2CC2)S1	REAL300004085906	1	38	-2.0	-110.11	319.41	3.75	-106.36
CCCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=N1	REAL300004085908	1	40	-2.0	-108.27	346.59	6.42	-101.85
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CN=C3)CCCC2)S1	REAL300004085910	1	41	-2.0	-110.22	346.56	6.95	-103.27
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCC3=CC=CN=C32)S1	REAL300004085911	1	35	-2.0	-115.02	314.73	5.41	-109.61
CCOC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1CCOCC1	REAL300004085923	1	43	-2.0	-106.71	359.92	5.80	-100.91
CCOC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1CCCC1	REAL300004085924	1	42	-2.0	-109.28	346.71	7.42	-101.86
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)S1	REAL300004085929	1	37	-2.0	-111.07	311.78	5.20	-105.87
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(=O)C2=CC=C(F)C=C2)S1	REAL300004085933	0	31	-2.0	-104.79	299.84	5.37	-99.42
CCC1CCCC1(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004085936	1	41	-2.0	-109.76	332.92	7.51	-102.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@]2(C3=CC=CC=C3)C[C@@H](F)C2)S1	REAL300004085937	1	39	-2.0	-106.05	341.76	8.59	-97.46
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=C(C(C)(C)C)C=C2)S1	REAL300004085940	0	44	-2.0	-108.08	383.29	8.61	-99.47
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC([C@H]3CC[C@H](C)CC3)=N2)S1	REAL300004085944	1	47	-2.0	-109.04	406.38	7.62	-101.42
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(C(F)(F)F)C=C2)S1	REAL300004085947	1	41	-2.0	-105.03	368.24	8.11	-96.92
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(F)C=C2F)S1	REAL300004085948	1	38	-2.0	-108.41	337.42	7.10	-101.31
C=CCCCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004085949	1	45	-2.0	-108.31	390.58	9.45	-98.86
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)OCCC3=CC=CC=C32)S1	REAL300004085950	1	40	-2.0	-111.56	341.89	5.97	-105.59
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC(Cl)=CC=C2C)S1	REAL300004085951	1	36	-2.0	-107.11	342.61	7.19	-99.92
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC(C(C)(C)C)(C2)C3)S1	REAL300004085952	1	42	-2.0	-109.40	358.47	7.54	-101.86
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2CCCCS2(=O)=O)S1	REAL300004085958	1	37	-2.0	-122.67	334.38	1.86	-120.81
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCOC3=C(F)C=CC=C32)S1	REAL300004085961	1	37	-2.0	-104.30	328.91	6.85	-97.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=C(C(F)F)C=C2C2CC2)S1	REAL300004085964	1	39	-2.0	-111.32	363.54	6.39	-104.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CC(F)(F)C2)S1	REAL300004085968	1	32	-2.0	-107.28	294.16	5.24	-102.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(OC(C)C)CCC2)S1	REAL300004085969	1	39	-2.0	-106.64	330.12	6.11	-100.53
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCCCO3)CCOCC2)S1	REAL300004085970	1	47	-2.0	-103.70	365.00	6.53	-97.17
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3CCCC3)=N2)S1	REAL300004085979	1	41	-2.0	-109.33	366.59	6.34	-102.99
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3CC3)=N2)S1	REAL300004085980	1	35	-2.0	-109.73	332.60	5.29	-104.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2CCC(C)CC2)S1	REAL300004085981	1	42	-2.0	-109.24	352.12	6.76	-102.48
C=C(C)[C@@H]1OCC[C@@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004085989	1	37	-2.0	-106.35	321.48	4.76	-101.59
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2CC2)S1	REAL300004085995	1	37	-2.0	-105.13	320.88	4.88	-100.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2[C@@H](C3=CC=CC=C3)C2(F)F)S1	REAL300004085999	1	36	-2.0	-107.66	334.85	7.56	-100.10
COC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCSC1	REAL300004086024	1	34	-2.0	-107.99	308.60	3.67	-104.32
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(C)(C4)C2)C3)S1	REAL300004086026	1	46	-2.0	-113.04	358.47	7.85	-105.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCCCC3)CC2)S1	REAL300004086027	1	42	-2.0	-109.85	344.92	7.90	-101.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C4OCCOC4=C3)CC2)S1	REAL300004086028	1	42	-2.0	-117.25	363.16	7.50	-109.75
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC3=C(CCOC3)NC2=O)S1	REAL300004086039	1	37	-2.0	-128.82	331.73	3.01	-125.81
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCCS2(=O)=O)S1	REAL300004086042	1	35	-2.0	-120.90	316.68	2.23	-118.67
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C#N)CC3CCC2C3)S1	REAL300004086049	1	37	-2.0	-108.51	318.28	5.86	-102.65
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CCCOCC3=CC=CC=C3)CC2)S1	REAL300004086057	1	49	-2.0	-115.29	425.74	9.25	-106.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)SC2=CC=C(F)C=C2)S1	REAL300004086060	1	36	-2.0	-105.45	345.58	7.42	-98.03
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CCC3=CC=CC=C3)CC2)S1	REAL300004086080	1	42	-2.0	-114.35	371.87	8.95	-105.40
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCOC3=CC=CC=C32)S1	REAL300004086082	1	40	-2.0	-106.89	339.24	6.39	-100.50
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCCO2)S1	REAL300004086083	1	40	-2.0	-114.26	346.11	6.28	-107.98
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=C(C)N(C)C3=NC=NN3C2C)S1	REAL300004086089	1	41	-2.0	-107.11	355.67	8.07	-99.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCS(=O)(=O)C3=CC=CC=C32)S1	REAL300004086106	1	39	-2.0	-112.26	354.66	3.64	-108.62
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=C(S(N)(=O)=O)C=N2)S1	REAL300004086122	1	34	-2.0	-113.72	332.70	-1.58	-115.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(S(N)(=O)=O)C=C2)S1	REAL300004086123	1	38	-2.0	-110.51	359.26	0.87	-109.64
CC1=NC(S(=O)(=O)NCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=CN1C	REAL300004086127	1	40	-2.0	-114.48	374.52	0.76	-113.72
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NC(C)=C(C)NC2=O)S1	REAL300004086130	1	34	-2.0	-130.76	312.03	2.89	-127.87
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=C(C)NC(=O)C=C2)S1	REAL300004086132	1	32	-2.0	-103.65	294.41	3.16	-100.49
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCC3=CC(C)=CC=C3O2)S1	REAL300004086145	1	40	-2.0	-110.41	351.40	7.75	-102.66
COC1=COC(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=CC1=O	REAL300004086148	1	32	-2.0	-104.80	304.93	3.46	-101.34
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCC(=O)C3=CC=CN32)S1	REAL300004086158	1	36	-2.0	-101.20	322.15	6.20	-95.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CN(C)C=N2)S1	REAL300004086165	1	37	-2.0	-115.31	354.22	0.92	-114.39
COCCC(C)(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086173	1	38	-2.0	-108.41	325.21	3.96	-104.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CS3)CCCCC2)S1	REAL300004086174	1	45	-2.0	-108.32	371.90	9.93	-98.39
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COCCN2CC(F)F)S1	REAL300004086188	1	38	-2.0	-108.88	323.21	1.55	-107.33
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(Br)C(C)(C)C)S1	REAL300004086192	1	34	-2.0	-103.32	309.44	5.35	-97.97
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC=C(C(F)(F)F)NC2=O)S1	REAL300004086195	1	32	-2.0	-119.48	315.58	3.86	-115.62
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CC=CN=C2)S1	REAL300004086196	1	36	-2.0	-106.54	345.97	0.09	-106.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCCN2CC2=CC=C(F)C=C2)S1	REAL300004086207	1	47	-2.0	-114.62	388.00	6.75	-107.87
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN2CC2=CC=C(F)C=C2)S1	REAL300004086208	1	44	-2.0	-113.58	373.98	5.90	-107.68
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C(C)C)C=C3)CCCC2)S1	REAL300004086210	1	51	-2.0	-118.09	412.70	10.67	-107.42
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCC2=CC=CC(Cl)=C2)S1	REAL300004086226	1	36	-2.0	-107.39	348.10	6.95	-100.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC(Br)=C(C)NC2=O)S1	REAL300004086227	1	32	-2.0	-125.04	315.76	4.06	-120.98
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC=C3)CCOCC2)S1	REAL300004086232	1	46	-2.0	-106.73	368.84	8.87	-97.86
C=CC(C)(CCOC)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086242	1	39	-2.0	-109.50	333.59	4.91	-104.59
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CN(C)N=C1	REAL300004086244	1	36	-2.0	-108.91	332.75	3.95	-104.96
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)S(=O)(=O)C2CC2)S1	REAL300004086246	1	38	-2.0	-121.29	342.62	3.02	-118.27
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2CCCCC2)S1	REAL300004086251	1	39	-2.0	-104.37	324.54	5.05	-99.32
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)CCC2=CC=CC=C2)S1	REAL300004086256	1	39	-2.0	-105.41	350.13	5.56	-99.85
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3)CCCCC2)S1	REAL300004086258	1	45	-2.0	-108.31	380.17	9.89	-98.42
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C(C)(C)C)C=C3)CCC2)S1	REAL300004086260	1	51	-2.0	-112.81	410.92	10.86	-101.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC(F)=C3)CCCCC2)S1	REAL300004086264	1	48	-2.0	-114.83	388.62	10.89	-103.94
CCOCCS(=O)(=O)NCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086268	1	40	-2.0	-108.28	369.59	-0.44	-108.72
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=C(C)C3=CC=CC=C3NC2=O)S1	REAL300004086278	1	38	-2.0	-129.23	336.25	5.68	-123.55
CC1=NOC(C)=C1C(C)(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086280	1	40	-2.0	-104.74	336.07	5.67	-99.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CN=C3)CC2)S1	REAL300004086283	1	35	-2.0	-106.77	313.68	6.54	-100.23
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=C(C)NC(=O)C(Br)=C2)S1	REAL300004086285	1	32	-2.0	-102.86	315.00	3.78	-99.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)N(C)CC(F)(F)F)S1	REAL300004086286	1	36	-2.0	-108.45	320.38	3.32	-105.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(CO)C2=CC=CC=C2)S1	REAL300004086292	1	36	-2.0	-111.97	323.71	3.82	-108.15
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=CC=C([O-])C(F)=C2)S1	REAL300004086294	1	30	-2.0	-93.39	289.15	4.61	-88.78
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(Cl)C=C2)S1	REAL300004086295	1	33	-2.0	-102.36	321.73	4.62	-97.74
CSCCC(O)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086296	1	33	-2.0	-104.95	313.46	2.99	-101.96
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(CC(C)C)C=C2)S1	REAL300004086299	1	47	-2.0	-108.44	394.96	9.38	-99.06
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])S1	REAL300004086306	1	33	-2.0	-98.03	318.71	7.00	-91.03
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)NS(C)(=O)=O)S1	REAL300004086308	1	33	-2.0	-103.85	312.16	-0.68	-104.53
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H](O)C2=CC=CC=C2Cl)S1	REAL300004086309	1	33	-2.0	-107.43	315.20	4.94	-102.49
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H](C)OCC2=CC=CC=C2)S1	REAL300004086311	1	39	-2.0	-109.58	350.82	7.10	-102.48
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC(C(F)(F)F)=C2)S1	REAL300004086314	1	37	-2.0	-101.25	347.74	5.42	-95.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CN3C=C(Cl)C=C(Cl)C3=N2)S1	REAL300004086318	1	35	-2.0	-114.83	355.70	7.69	-107.14
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)N2CCOCC2)S1	REAL300004086321	1	41	-2.0	-107.92	333.66	2.18	-105.74
CCC(CC)(CO)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086324	1	38	-2.0	-112.67	317.38	2.11	-110.56
CSCC(C)(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086325	1	35	-2.0	-104.57	317.09	5.44	-99.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCCS2)S1	REAL300004086326	1	33	-2.0	-110.71	300.48	5.48	-105.23
CCC(C)(C)C(O)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086327	1	38	-2.0	-104.19	313.08	4.29	-99.90
CSC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCC1	REAL300004086328	1	33	-2.0	-107.51	306.00	5.68	-101.83
COC(CC(C)C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086329	1	38	-2.0	-106.63	329.67	5.28	-101.35
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(O)CC2=CC=CC=C2)S1	REAL300004086333	1	39	-2.0	-106.79	343.18	4.15	-102.64
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CN=C2)S1	REAL300004086334	1	35	-2.0	-107.05	317.95	4.74	-102.31
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN(CC2=CC=CN=C2)C2=CC=CC=C2)S1	REAL300004086336	1	46	-2.0	-108.02	398.59	8.32	-99.70
COCCCOCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086340	1	36	-2.0	-107.92	325.85	3.23	-104.69
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(O)CCSC2)S1	REAL300004086349	1	31	-2.0	-102.13	290.34	1.76	-100.37
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(Cl)C=C2F)S1	REAL300004086352	1	33	-2.0	-105.96	325.64	4.71	-101.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC(Cl)=CC(Cl)=C2)S1	REAL300004086353	1	33	-2.0	-101.02	338.46	5.11	-95.91
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN(CC2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300004086359	1	47	-2.0	-109.05	397.74	9.96	-99.09
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC(C)CC3=CNN=C32)S1	REAL300004086362	1	39	-2.0	-116.20	335.24	4.75	-111.45
CC1=NOC(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)CC2)=C1	REAL300004086363	1	35	-2.0	-103.30	321.29	6.38	-96.92
COC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)N=C1	REAL300004086365	1	35	-2.0	-110.97	319.13	3.77	-107.20
CCS(=O)(=O)NC(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086369	1	36	-2.0	-103.19	333.63	0.22	-102.97
CCS(=O)(=O)NCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086374	1	33	-2.0	-109.31	314.07	-0.48	-109.79
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H](C)C2=CC=C(CC(C)C)C=C2)S1	REAL300004086393	1	47	-2.0	-107.54	394.21	9.34	-98.20
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2CCN(C3=CC=CC=N3)CC2)S1	REAL300004086400	1	45	-2.0	-108.77	377.84	3.84	-104.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3Br)CC2)S1	REAL300004086405	1	36	-2.0	-109.31	343.94	7.77	-101.54
CCC(O)(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC(Cl)=C1	REAL300004086411	1	39	-2.0	-106.94	353.27	4.64	-102.30
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)S1	REAL300004086419	0	36	-2.0	-96.94	343.62	2.66	-94.28
COC1=CC=CN=C1CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086420	1	35	-2.0	-115.16	319.46	3.63	-111.53
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CN=CN2C)N(C)C)S1	REAL300004086422	1	40	-2.0	-104.09	330.06	3.89	-100.20
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCC3=NN(C)C=C32)S1	REAL300004086424	1	39	-2.0	-107.94	337.50	5.98	-101.96
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H](C)OC2=CC=C(Br)C=C2)S1	REAL300004086425	1	36	-2.0	-104.71	343.96	7.14	-97.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CN(C)N=C2)S1	REAL300004086426	1	33	-2.0	-106.31	309.42	1.76	-104.55
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=CC=NC2=O)S1	REAL300004086434	1	31	-2.0	-121.42	296.00	2.63	-118.79
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)N2CCC(O)CC2)S1	REAL300004086437	1	48	-2.0	-110.15	397.42	3.99	-106.16
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=NNC=N3)=N2)S1	REAL300004086439	1	34	-2.0	-120.15	336.57	4.17	-115.98
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(S(C)(=O)=O)C=C2)S1	REAL300004086441	1	41	-2.0	-111.03	374.51	4.22	-106.81
CSC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004086446	1	36	-2.0	-106.69	334.66	7.29	-99.40
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=C(Cl)C=N2)S1	REAL300004086447	1	29	-2.0	-105.43	293.40	4.07	-101.36
COC1=CC=CC(C2(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)CC2)=C1	REAL300004086448	1	40	-2.0	-117.40	348.21	7.63	-109.77
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)N(C)C)S1	REAL300004086449	1	35	-2.0	-106.52	327.25	-0.98	-107.50
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CN=C(C3CC3)NC2=O)S1	REAL300004086453	1	35	-2.0	-124.08	324.52	4.38	-119.70
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=C(Cl)C=C2)N(C)C)S1	REAL300004086454	1	40	-2.0	-104.72	363.40	5.87	-98.85
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC(CC(C)C)=C2)S1	REAL300004086459	1	47	-2.0	-108.20	394.98	9.37	-98.83
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)N1CCOC(CC)C1	REAL300004086477	1	47	-2.0	-108.11	376.51	3.83	-104.28
CCN(CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)CC1=CC=CC=C1Cl	REAL300004086478	1	43	-2.0	-110.26	375.74	6.57	-103.69
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)CC(C)(C)C)S1	REAL300004086486	1	43	-2.0	-107.82	334.22	6.37	-101.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN(C)C2=NC3=CC=CC=C3S2)S1	REAL300004086489	1	39	-2.0	-113.95	364.09	7.23	-106.72
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H](O)CC2=CC=CC=C2)S1	REAL300004086492	1	36	-2.0	-105.15	327.79	4.73	-100.42
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H](O)C2=CC=CC=C2)S1	REAL300004086493	1	33	-2.0	-104.89	304.22	4.06	-100.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC(C(F)(F)F)=C2)S1	REAL300004086494	1	36	-2.0	-105.20	342.78	5.07	-100.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H](O)C2=CC=CC=C2)S1	REAL300004086496	1	33	-2.0	-105.79	304.04	4.08	-101.71
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CN=C2)S1	REAL300004086499	1	32	-2.0	-104.12	299.68	2.32	-101.80
CC1=CC(C(F)(F)F)=NN1CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086505	1	35	-2.0	-105.91	338.59	4.97	-100.94
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC(CO)=C2)S1	REAL300004086513	1	40	-2.0	-111.48	355.72	3.80	-107.68
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CN(C)C3=CC=CC=C23)S1	REAL300004086521	1	42	-2.0	-111.20	369.39	8.46	-102.74
CC1=NC2=CC=CC=C2N1CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086524	1	38	-2.0	-108.20	344.85	7.02	-101.18
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)S1	REAL300004086527	1	43	-2.0	-117.80	379.71	3.32	-114.48
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2OCCC3=C2C=CS3)S1	REAL300004086528	1	40	-2.0	-109.45	353.70	6.88	-102.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C#N)CCSCC2)S1	REAL300004086537	1	34	-2.0	-102.64	313.22	5.28	-97.36
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C4OCOC4=C3)CC2)S1	REAL300004086539	1	39	-2.0	-116.06	344.71	7.00	-109.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@]23C[C@H]2COC32CCC2)S1	REAL300004086540	1	38	-2.0	-109.40	324.78	5.24	-104.16
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCC3(CC2)OCCO3)S1	REAL300004086541	1	44	-2.0	-110.84	358.55	5.01	-105.83
CC1=NC(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C(C)S1	REAL300004086545	1	34	-2.0	-110.56	321.58	4.48	-106.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CN(CC3=CC=CC=C3)CCO2)S1	REAL300004086549	1	45	-2.0	-108.71	385.18	5.58	-103.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CCC2)S1	REAL300004086552	1	32	-2.0	-106.15	298.75	5.73	-100.42
COCCS(=O)(=O)CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086553	1	35	-2.0	-115.45	333.55	0.11	-115.34
COC1=CC=CC(C(O)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1	REAL300004086561	1	37	-2.0	-108.85	334.50	3.39	-105.46
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CC2)S1	REAL300004086562	1	39	-2.0	-108.24	347.07	9.83	-98.41
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CO)CCOCC2)S1	REAL300004086563	1	37	-2.0	-110.65	312.99	1.04	-109.61
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2CCCCC2)S1	REAL300004086566	1	44	-2.0	-107.50	343.91	7.26	-100.24
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCCC1	REAL300004086567	1	39	-2.0	-112.61	331.69	5.27	-107.34
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCOCC1	REAL300004086568	1	40	-2.0	-109.15	335.23	3.44	-105.71
COC1=CC=C2CCC(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)C2=C1	REAL300004086587	1	40	-2.0	-117.21	346.87	6.90	-110.31
COC1=CC=C2ON=C(CC(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)C2=C1	REAL300004086591	1	38	-2.0	-112.09	349.79	4.77	-107.32
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC(C)(C)OC3=CC=CC=C32)S1	REAL300004086595	1	43	-2.0	-109.16	359.70	7.95	-101.21
CCC(C)(C)OCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086597	1	38	-2.0	-108.23	322.57	5.18	-103.05
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC3=CC=CC=C3C=C2)S1	REAL300004086599	1	41	-2.0	-109.47	359.71	8.95	-100.52
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C3OCOC3=C2)S1	REAL300004086600	1	41	-2.0	-110.80	355.54	5.77	-105.03
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(O)C2=CC=C(Cl)C=C2)S1	REAL300004086601	1	36	-2.0	-104.41	337.61	4.12	-100.29
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3=CC(Br)=CC=C3O2)S1	REAL300004086603	1	34	-2.0	-105.88	333.49	6.92	-98.96
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])S1	REAL300004086604	0	40	-2.0	-106.87	370.69	6.79	-100.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)N2CCSCC2)S1	REAL300004086606	1	38	-2.0	-104.63	328.48	3.90	-100.73
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])S1	REAL300004086609	0	37	-2.0	-107.73	349.37	5.84	-101.89
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=NC3=C2CCCC3)S1	REAL300004086617	1	38	-2.0	-109.68	334.89	4.61	-105.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(S(N)(=O)=O)CC2)S1	REAL300004086618	1	31	-2.0	-103.67	297.65	0.15	-103.52
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C#N)CCCCC2)S1	REAL300004086623	1	36	-2.0	-106.74	315.27	5.58	-101.16
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C#N)CC3(CC3)C2)S1	REAL300004086624	1	34	-2.0	-106.00	316.04	6.03	-99.97
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C#N)CCCOC2)S1	REAL300004086625	1	34	-2.0	-103.47	306.52	3.31	-100.16
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCCN2CC2=CC=NC=C2)S1	REAL300004086636	1	46	-2.0	-114.06	376.74	4.94	-109.12
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCCN2CC2=CC=CN=C2)S1	REAL300004086637	1	46	-2.0	-109.96	384.18	4.99	-104.97
CC1=NNC(C)=C1C(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086638	1	38	-2.0	-108.59	327.32	4.03	-104.56
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC=N2)S1	REAL300004086640	1	33	-2.0	-105.60	303.80	3.52	-102.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCC2CCCC2)S1	REAL300004086645	1	39	-2.0	-107.45	336.82	6.13	-101.32
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)S1	REAL300004086650	0	35	-2.0	-110.18	322.52	6.62	-103.56
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCC(=O)CC2)S1	REAL300004086655	1	37	-2.0	-103.00	314.91	5.17	-97.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2CCOCC2)S1	REAL300004086661	1	42	-2.0	-108.87	335.12	4.86	-104.01
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN(C)S(=O)(=O)N(C)C)S1	REAL300004086665	1	38	-2.0	-103.03	343.92	1.06	-101.97
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2CCOC2)S1	REAL300004086672	1	34	-2.0	-109.60	306.14	2.81	-106.79
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC=NC=C2)S1	REAL300004086681	1	38	-2.0	-108.55	345.69	5.33	-103.22
CCC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)N=C1	REAL300004086684	1	37	-2.0	-111.80	332.49	5.91	-105.89
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C#N)CC23CCCC3)S1	REAL300004086695	1	37	-2.0	-108.80	331.93	6.57	-102.23
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C#N)CC3CCC2CC3)S1	REAL300004086696	1	40	-2.0	-108.17	331.34	6.48	-101.69
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC2=CC=CC(Cl)=C2)S1	REAL300004086702	1	34	-2.0	-101.40	326.51	4.98	-96.42
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CN(C)N=C2)S1	REAL300004086708	1	37	-2.0	-108.22	355.53	-0.42	-108.64
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)N2CCC3=CC=CC=C3C2)S1	REAL300004086711	1	44	-2.0	-108.23	365.09	6.00	-102.23
CC1=CN=C(COCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)O1	REAL300004086719	1	35	-2.0	-112.50	328.01	1.94	-110.56
COC(CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086726	1	39	-2.0	-109.51	342.80	6.62	-102.89
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2F)N2CCOCC2)S1	REAL300004086727	1	45	-2.0	-115.41	380.77	5.06	-110.35
CCC(CC)C(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)N1CCOCC1	REAL300004086728	1	50	-2.0	-107.12	375.69	4.17	-102.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=N3)CC2)S1	REAL300004086740	1	35	-2.0	-112.75	324.45	5.67	-107.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)C2CC2)S1	REAL300004086741	1	32	-2.0	-117.27	308.30	1.86	-115.41
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C(C)C2=CC=C(C)C=C2)S1	REAL300004086742	1	42	-2.0	-104.68	361.31	6.66	-98.02
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(O)C(C)C2=CC=CC=C2)S1	REAL300004086743	1	42	-2.0	-106.40	352.00	4.94	-101.46
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN3C=C(C(F)(F)F)N=C23)S1	REAL300004086762	1	39	-2.0	-121.55	358.61	6.79	-114.76
C#CCN1CCC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086764	1	36	-2.0	-109.89	322.34	3.85	-106.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCN(C)C3=CC=CC=C32)S1	REAL300004086768	1	41	-2.0	-111.96	343.19	6.71	-105.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H](NCC(F)(F)F)C(C)C)S1	REAL300004086769	1	39	-2.0	-102.36	345.55	4.64	-97.72
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CN(C)CC(C)O2)S1	REAL300004086772	1	38	-2.0	-108.93	329.14	2.59	-106.34
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CN(C)C(=O)NC2=O)S1	REAL300004086773	1	32	-2.0	-117.20	301.91	2.07	-115.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC(C(F)(F)F)=CNC2=O)S1	REAL300004086775	1	32	-2.0	-124.39	315.44	3.96	-120.43
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NN3C=CC=NC3=N2)S1	REAL300004086777	1	33	-2.0	-124.21	313.32	6.03	-118.18
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN2CC2=CC=CC=N2)S1	REAL300004086779	1	43	-2.0	-111.10	371.99	5.02	-106.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)N2CCOCC2)S1	REAL300004086782	1	38	-2.0	-105.86	318.41	1.62	-104.24
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(OC2=CC=C(Cl)C=C2)C(C)C)S1	REAL300004086801	1	42	-2.0	-105.16	369.83	9.04	-96.12
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC2=C(C)C=CC=C2C)S1	REAL300004086805	1	40	-2.0	-106.73	348.66	5.93	-100.80
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC(F)=C2)N2CCOCC2)S1	REAL300004086809	1	45	-2.0	-108.53	387.38	4.85	-103.68
CCN1CCOC(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C1	REAL300004086810	1	38	-2.0	-108.24	326.08	2.64	-105.60
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCSC3=CC=CC=C32)S1	REAL300004086813	1	37	-2.0	-110.80	336.30	7.31	-103.49
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])S1	REAL300004086814	0	40	-2.0	-113.94	367.70	6.42	-107.52
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NC(CC(=O)[O-])=C(C)S2)=N1	REAL300004086815	0	43	-2.0	-111.55	377.23	7.56	-103.99
C=CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004086817	1	39	-2.0	-107.77	343.32	8.78	-98.99
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NSC3=CC=CC=C32)S1	REAL300004086820	1	34	-2.0	-109.62	326.85	6.10	-103.52
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(F)(C4)C2)C3)S1	REAL300004086822	1	43	-2.0	-111.24	344.43	7.40	-103.84
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C3OCOC3=C2)S1	REAL300004086827	1	38	-2.0	-105.68	339.85	5.36	-100.32
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC(F)=CC(F)=C2)S1	REAL300004086831	1	33	-2.0	-102.60	317.86	6.05	-96.55
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(O)CCCC(C)(C)C2)S1	REAL300004086839	1	42	-2.0	-106.76	339.75	4.10	-102.66
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(O)CN2C(=O)C=CC=C2C)S1	REAL300004086842	1	42	-2.0	-113.39	354.85	3.23	-110.16
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(O)CN2C=CC(C)=CC2=O)S1	REAL300004086843	1	42	-2.0	-112.11	365.45	3.21	-108.90
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=C3CCCCC3=NN2)S1	REAL300004086847	1	39	-2.0	-107.04	338.73	4.81	-102.23
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCC3=NNC=C32)S1	REAL300004086848	1	36	-2.0	-106.09	314.54	4.65	-101.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(CCS(C)(=O)=O)C2=CC=CC=C2)S1	REAL300004086854	1	44	-2.0	-121.53	398.40	4.87	-116.66
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN2C2=NC=CC=N2)S1	REAL300004086860	1	39	-2.0	-111.35	338.35	4.10	-107.25
COC1=CC=C([C@]2(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)C[C@H](O)C2)C=C1	REAL300004086868	1	44	-2.0	-108.16	380.54	3.67	-104.49
CC1=CN(C(C)(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=N1	REAL300004086869	1	38	-2.0	-104.05	334.30	6.39	-97.66
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CC(O)CN2C)S1	REAL300004086874	1	38	-2.0	-110.09	319.41	0.43	-109.66
COC1=CC(COCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=CC=N1	REAL300004086878	1	39	-2.0	-109.49	358.46	3.16	-106.33
COC1=CC=C(COCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=N1	REAL300004086879	1	39	-2.0	-108.35	357.65	3.10	-105.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCC2=CC(=O)NC=C2)S1	REAL300004086880	1	36	-2.0	-125.27	333.15	3.42	-121.85
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@]2(C3=CC=CC=C3)C[C@H](O)C2)S1	REAL300004086884	1	40	-2.0	-113.85	347.99	5.46	-108.39
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CC[C@H](C(F)(F)F)O2)S1	REAL300004086890	1	33	-2.0	-107.34	311.72	4.74	-102.60
CNS(=O)(=O)CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086899	1	30	-2.0	-112.18	293.31	-1.40	-113.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CS(=O)(=O)NC(C)(C)C)S1	REAL300004086900	1	39	-2.0	-112.97	341.31	0.80	-112.17
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)N2C=NC3=CC=CC=C32)S1	REAL300004086911	1	38	-2.0	-105.80	341.22	7.23	-98.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CNC(C)=CC2=O)S1	REAL300004086913	1	32	-2.0	-135.71	298.63	4.24	-131.47
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC(=O)NC3=CC=C(F)C=C32)S1	REAL300004086921	1	35	-2.0	-110.22	326.11	5.58	-104.64
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2CCOCC2)S1	REAL300004086933	1	37	-2.0	-103.77	316.12	1.91	-101.86
C#CCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCCCC1	REAL300004086938	1	40	-2.0	-109.87	334.64	7.85	-102.02
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2CCC(O)CC2)S1	REAL300004086939	1	45	-2.0	-111.21	352.91	4.06	-107.15
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(O)CCC2=CC=CC=C2)S1	REAL300004086942	1	42	-2.0	-107.37	366.10	5.01	-102.36
COC1CCCCC1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086943	1	39	-2.0	-110.17	328.69	5.79	-104.38
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)S1	REAL300004086954	0	30	-2.0	-90.18	305.16	5.16	-85.02
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(O)CCSCC2)S1	REAL300004086956	1	34	-2.0	-102.12	306.80	2.61	-99.51
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3=C(O2)C(C)=CC=C3)S1	REAL300004086961	1	37	-2.0	-110.93	333.40	6.93	-104.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCC3=CC=CC=C3C2)S1	REAL300004086963	1	42	-2.0	-109.42	350.83	8.08	-101.34
COC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCOCC1	REAL300004086969	1	37	-2.0	-105.62	310.98	2.05	-103.57
COC1=C(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)NC(=O)NC1=O	REAL300004086971	1	33	-2.0	-98.53	312.59	0.81	-97.72
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CSC=C2)S1	REAL300004086980	1	30	-2.0	-107.05	296.63	4.93	-102.12
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=CC=N2)S1	REAL300004086982	1	35	-2.0	-111.84	322.38	4.26	-107.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(NC3=CC=CC=C3)CC2)S1	REAL300004086984	1	38	-2.0	-109.39	341.18	5.62	-103.77
CCCCS(=O)(=O)NCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004086986	1	39	-2.0	-108.79	357.06	1.09	-107.70
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OCC2=CC=C(F)C=C2)S1	REAL300004086992	1	39	-2.0	-107.29	356.99	7.22	-100.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)CC2=CC=CC(C(F)(F)F)=C2)S1	REAL300004086996	1	39	-2.0	-104.77	367.32	5.76	-99.01
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCOCC2)S1	REAL300004087000	1	46	-2.0	-103.40	378.83	8.88	-94.52
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=CC(F)=C3)CCOCC2)S1	REAL300004087001	1	46	-2.0	-104.47	378.83	8.91	-95.56
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN2C2=CC=CC=C2)S1	REAL300004087003	1	41	-2.0	-106.51	344.98	5.55	-100.96
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=CC(C(F)F)=N2)S1	REAL300004087009	1	32	-2.0	-111.04	310.93	4.40	-106.64
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)N2N=NN=C2C(C)(C)C)S1	REAL300004087010	1	42	-2.0	-106.64	359.57	4.48	-102.16
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NC(C3=CC=C(F)C=C3)=CS2)S1	REAL300004087013	1	38	-2.0	-109.38	365.62	6.92	-102.46
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=NC3=CC=CC=C32)S1	REAL300004087014	1	35	-2.0	-107.19	324.61	7.23	-99.96
CCC1=NC2=CC=CC=C2N1CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004087015	1	41	-2.0	-108.11	363.23	7.56	-100.55
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(NS(C)(=O)=O)C(C)C)S1	REAL300004087016	1	39	-2.0	-103.49	345.81	1.42	-102.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)N2CCC3=CC=CC=C32)S1	REAL300004087017	1	41	-2.0	-108.73	347.16	5.92	-102.81
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=CC=N2)S1	REAL300004087021	1	37	-2.0	-108.43	325.80	5.65	-102.78
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSCC2=CC=C(C(C)(C)C)C=C2)S1	REAL300004087023	1	48	-2.0	-107.05	416.75	9.80	-97.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC=C2)S1	REAL300004087026	1	33	-2.0	-104.88	304.81	4.12	-100.76
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2O)S1	REAL300004087030	1	34	-2.0	-110.56	315.80	3.60	-106.96
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNS(=O)(=O)C2=CC=C(C)C=C2)S1	REAL300004087032	1	40	-2.0	-107.01	372.39	2.55	-104.46
CCN(CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004087041	1	40	-2.0	-108.60	343.56	7.21	-101.39
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2CCOCC2)S1	REAL300004087054	1	37	-2.0	-107.56	324.55	3.67	-103.89
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OCCC2=CC=CC=C2)S1	REAL300004087057	1	42	-2.0	-108.17	373.08	7.92	-100.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC(C)C)CCCC2)S1	REAL300004087061	1	44	-2.0	-109.63	348.03	7.91	-101.72
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(S(C)(=O)=O)CC2)S1	REAL300004087063	1	32	-2.0	-113.07	307.22	2.18	-110.89
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CN=C2)C(C)C)S1	REAL300004087065	1	40	-2.0	-108.75	343.32	6.97	-101.78
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=NC(C3=CC=CC=C3)=N2)S1	REAL300004087068	1	38	-2.0	-113.33	352.22	7.87	-105.46
CC1=C(CC(=O)[O-])N=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL300004087070	0	33	-2.0	-97.12	307.36	3.41	-93.71
CC1=C(CC(=O)[O-])N=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL300004087070	1	33	-2.0	-97.12	307.42	3.43	-93.69
CC(=O)C1=CN(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)N=N1	REAL300004087076	1	33	-2.0	-106.37	316.12	2.66	-103.71
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=C(C(C)O)N=N2)S1	REAL300004087082	1	35	-2.0	-109.01	323.51	0.28	-108.73
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NC(C(C)C)=C(C)S2)S1	REAL300004087084	1	40	-2.0	-110.45	363.48	5.86	-104.59
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(N3CCOCC3)=N2)S1	REAL300004087086	1	41	-2.0	-110.35	368.97	2.93	-107.42
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NC(C3=CC=CC=C3)=CS2)S1	REAL300004087088	1	38	-2.0	-110.63	359.99	6.89	-103.74
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NN=C(C3=CC=CC=C3)N2C)S1	REAL300004087091	1	41	-2.0	-115.33	366.05	7.46	-107.87
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=NC=C2)S1	REAL300004087093	1	34	-2.0	-105.37	309.04	4.94	-100.43
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NC(C3=CC=CO3)=C(C)S2)S1	REAL300004087094	1	38	-2.0	-111.26	364.11	5.74	-105.52
CCCOC1=CC=NC(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=N1	REAL300004087095	1	40	-2.0	-110.54	361.76	3.35	-107.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=NC=CS2)S1	REAL300004087097	1	34	-2.0	-109.69	319.15	4.48	-105.21
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)S1	REAL300004087108	0	30	-2.0	-90.35	298.95	5.09	-85.26
CCOC1=CC(C(=O)NC2=NC(CC(=O)[O-])=C(C)S2)=CC(Cl)=C1[O-]	REAL300004087112	1	37	-2.0	-94.22	350.00	6.14	-88.08
COC1=CC=C(Cl)C=C1NCC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004087115	1	38	-2.0	-105.68	354.90	4.39	-101.29
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=NC(CC(=O)[O-])=C(C)S3)=N2)C=C1	REAL300004087122	0	41	-2.0	-110.16	372.43	5.07	-105.09
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC(C2=CC=CC=C2)C(F)(F)F)S1	REAL300004087133	1	40	-2.0	-106.09	365.78	5.48	-100.61
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=C(Cl)C(F)=C2)S1	REAL300004087143	1	33	-2.0	-103.59	328.40	6.52	-97.07
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=NC(CC(=O)[O-])=C(C)S2)=CO1	REAL300004087146	1	34	-2.0	-94.71	334.92	0.34	-94.37
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CSCCS2)S1	REAL300004087161	1	31	-2.0	-107.50	301.37	5.23	-102.27
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CSC(C3=CC=CC=N3)=N2)S1	REAL300004087163	1	37	-2.0	-121.18	355.21	5.20	-115.98
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)N2CCSCC2)S1	REAL300004087170	1	45	-2.0	-109.71	379.93	7.20	-102.51
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C(C)C)N2CC(C)OC(C)C2)S1	REAL300004087171	1	50	-2.0	-109.13	392.73	4.62	-104.51
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCC(=O)C3=CC=CC=C32)S1	REAL300004087175	1	38	-2.0	-107.39	337.14	6.95	-100.44
COC(=CC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004087180	1	37	-2.0	-109.33	334.01	6.86	-102.47
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCCCC3)CCCCC2)S1	REAL300004087201	1	51	-2.0	-106.40	375.97	10.83	-95.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C(C)=CC(C)=NC2=O)S1	REAL300004087203	1	37	-2.0	-123.15	334.65	3.63	-119.52
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(C(F)(F)F)C=C2)S1	REAL300004087204	1	38	-2.0	-103.35	352.54	7.70	-95.65
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CSC(C3=CC=CC=C3O)=N2)S1	REAL300004087208	1	38	-2.0	-110.99	358.04	3.08	-107.91
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=NSN=C2N2CCOCC2)S1	REAL300004087215	1	41	-2.0	-103.17	373.65	0.96	-102.21
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CNC2=CC=C(S(C)(=O)=O)C=C2)S1	REAL300004087216	1	40	-2.0	-109.20	370.45	1.98	-107.22
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C(F)(F)F)C=C2)S1	REAL300004087218	1	39	-2.0	-104.14	361.64	7.48	-96.66
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H](C)OC2=CC=C(Cl)C=C2)S1	REAL300004087225	1	36	-2.0	-104.87	339.40	7.04	-97.83
CC1=NN(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1C1=CC=CC=C1	REAL300004087228	1	42	-2.0	-110.95	375.69	7.68	-103.27
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(OC2=CC=CC=C2)C(C)(C)O)S1	REAL300004087229	1	43	-2.0	-113.38	364.57	4.73	-108.65
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)S1	REAL300004087238	0	38	-2.0	-98.77	346.59	9.00	-89.77
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)S1	REAL300004087238	1	38	-2.0	-98.84	346.64	8.99	-89.85
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H](CC(C)C)NCC(F)(F)F)S1	REAL300004087239	1	42	-2.0	-105.31	367.16	5.28	-100.03
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(N3CCOCC3)CC2)S1	REAL300004087244	1	39	-2.0	-110.46	331.16	3.23	-107.23
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(OC3=CC=C(Cl)C=C3)CC2)S1	REAL300004087246	1	37	-2.0	-107.43	351.95	6.83	-100.60
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NN(C(C)C)C=C2)S1	REAL300004087248	1	38	-2.0	-114.93	338.37	5.27	-109.66
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCC2=NC3=CC=CC=C3S2)S1	REAL300004087256	1	38	-2.0	-113.69	363.04	5.87	-107.82
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C(O)C2=NC3=CC=CC=C3S2)S1	REAL300004087262	1	39	-2.0	-110.80	368.55	1.35	-109.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN(C)C2=CC=CC=C2)S1	REAL300004087267	1	37	-2.0	-107.97	327.44	6.39	-101.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(CC(C)C)N2C=CN=C2)S1	REAL300004087282	1	41	-2.0	-104.37	356.17	7.60	-96.77
CCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCOCC1	REAL300004087298	1	39	-2.0	-105.15	316.76	5.27	-99.88
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300004087309	0	33	-2.0	-87.67	317.92	3.22	-84.45
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300004087309	1	33	-2.0	-87.60	317.98	3.22	-84.38
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1C(F)(F)F	REAL300004087331	1	39	-2.0	-111.78	354.76	7.94	-103.84
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC=C2C)S1	REAL300004087345	1	38	-2.0	-108.60	330.15	7.18	-101.42
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)C(C)(C)C2(C)C)S1	REAL300004087355	1	41	-2.0	-111.18	329.94	6.24	-104.94
CCC1=NOC(COCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=N1	REAL300004087356	1	37	-2.0	-109.65	343.66	2.61	-107.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCOC2CCCC3)S1	REAL300004087367	1	40	-2.0	-114.29	323.75	5.38	-108.91
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)S1	REAL300004087368	1	46	-2.0	-111.08	381.70	2.89	-108.19
CC1=NN(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C2=NC=CC=C12	REAL300004087372	1	37	-2.0	-119.71	341.66	5.51	-114.20
CCCOC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=C(F)C=C1C	REAL300004087373	1	45	-2.0	-104.82	391.10	9.09	-95.73
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COC3=C(F)C=C(F)C=C3C2)S1	REAL300004087377	1	37	-2.0	-101.41	339.57	6.10	-95.31
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCC3=CNN=C32)S1	REAL300004087382	1	33	-2.0	-115.10	299.27	3.66	-111.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@]23CCO[C@@H]2CCCCC3)S1	REAL300004087385	1	43	-2.0	-110.46	331.89	5.70	-104.76
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCC(C)(CC2)OC3)S1	REAL300004087386	1	40	-2.0	-107.96	332.23	4.92	-103.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCC(C)CC2)S1	REAL300004087387	1	41	-2.0	-109.49	333.91	6.72	-102.77
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCC3=CNN=C32)S1	REAL300004087389	1	36	-2.0	-118.30	316.90	4.40	-113.90
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC(F)=CC(F)=C2)S1	REAL300004087398	1	35	-2.0	-102.66	326.62	6.83	-95.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCC2=CC=C(C(F)(F)F)C=C2)S1	REAL300004087399	1	39	-2.0	-106.11	370.10	7.45	-98.66
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC(F)=CC(F)=C1	REAL300004087403	1	36	-2.0	-103.37	342.04	6.33	-97.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CC2)S1	REAL300004087416	1	33	-2.0	-108.41	312.22	7.34	-101.07
CCC(C)(COCC1=CC=CC=C1)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004087417	1	48	-2.0	-106.77	406.61	8.11	-98.66
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(CCC2=CC=CC=C2)C2=CC=CC=C2)S1	REAL300004087418	1	48	-2.0	-109.92	416.14	11.13	-98.79
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCOCC3)CC2)S1	REAL300004087419	1	40	-2.0	-111.12	335.06	5.49	-105.63
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CC3CCC(C2)S3)S1	REAL300004087421	1	40	-2.0	-109.91	329.45	6.85	-103.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CC3CCC(C2)S3(=O)=O)S1	REAL300004087422	1	42	-2.0	-103.43	336.38	3.30	-100.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C(F)(F)F)S1	REAL300004087423	1	33	-2.0	-101.07	309.60	3.54	-97.53
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)CC2=CC(Cl)=CC(Cl)=C2)S1	REAL300004087425	1	36	-2.0	-100.88	361.26	5.74	-95.14
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC3=C2OCC3)S1	REAL300004087426	1	38	-2.0	-112.99	339.52	3.95	-109.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2(C)CCCC2)S1	REAL300004087430	1	39	-2.0	-108.74	329.70	5.81	-102.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COC3=CC(Cl)=CC=C3C2)S1	REAL300004087433	1	37	-2.0	-102.16	343.73	6.50	-95.66
CC(=O)N1CSC[C@@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004087454	1	34	-2.0	-113.65	314.89	4.71	-108.94
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCCCO1	REAL300004087456	1	40	-2.0	-113.53	337.07	3.61	-109.92
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2CCCCCCC2)S1	REAL300004087461	1	45	-2.0	-106.98	349.93	5.10	-101.88
CCN1C=C([C@@H]2OCC[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=N1	REAL300004087466	1	43	-2.0	-107.14	374.59	4.90	-102.24
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=N1	REAL300004087467	1	47	-2.0	-106.53	408.23	3.95	-102.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2=CN(C)N=C2)S1	REAL300004087468	1	40	-2.0	-107.12	353.02	4.04	-103.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2=C(C)N(C)N=C2)S1	REAL300004087469	1	43	-2.0	-106.58	370.28	4.47	-102.11
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCO[C@H]2C2=CC=NN2C(C)C)S1	REAL300004087470	1	49	-2.0	-110.96	405.45	5.97	-104.99
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCCO[C@H]2C2=CC=NN2C)S1	REAL300004087472	1	43	-2.0	-108.86	360.61	4.96	-103.90
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=NN=C2C2=CC=CC=C2)S1	REAL300004087475	1	37	-2.0	-105.62	339.57	5.00	-100.62
COC12CCC(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)(CC1)CC2	REAL300004087488	1	43	-2.0	-106.72	345.80	5.28	-101.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2=CC=NN2C(C)C)S1	REAL300004087489	1	46	-2.0	-105.61	392.57	5.49	-100.12
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NOC(C3CC3)=C2)S1	REAL300004087490	1	35	-2.0	-111.72	323.91	5.89	-105.83
CC1=NC=C([N+](=O)[O-])N1CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004087497	1	34	-2.0	-108.49	324.36	6.45	-102.04
COC1=CC(=O)NC=C1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004087499	1	33	-2.0	-108.00	307.23	2.46	-105.54
CCCCS(=O)(=O)CC(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004087501	1	37	-2.0	-118.06	342.87	2.61	-115.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2CCCCCC2)S1	REAL300004087502	1	42	-2.0	-107.44	343.87	6.43	-101.01
COC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCCCCC1	REAL300004087504	1	42	-2.0	-109.01	334.34	5.49	-103.52
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=NN(CC(F)(F)F)C=C2)S1	REAL300004087506	1	35	-2.0	-115.95	337.55	5.25	-110.70
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C(F)C2=CC=CC=C2)S1	REAL300004087511	1	41	-2.0	-110.19	352.80	7.81	-102.38
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(O)CC(C3=CC=CC=C3)C2)S1	REAL300004087520	1	40	-2.0	-106.84	351.25	4.87	-101.97
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=CC=C2C2=CC=CC=C2)S1	REAL300004087528	1	39	-2.0	-114.06	348.91	6.57	-107.49
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=CC3=CC(C)=CN=C32)S1	REAL300004087533	1	37	-2.0	-117.81	341.12	5.55	-112.26
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2(C)CCOCC2)S1	REAL300004087545	1	40	-2.0	-108.06	336.65	4.08	-103.98
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CC3(CCC3)C2)S1	REAL300004087549	1	43	-2.0	-111.07	373.43	9.28	-101.79
CC1=C(CC(F)(F)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C2=CC=CC=C2N1	REAL300004087551	0	42	-2.0	-110.77	380.25	7.64	-103.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CN(C)N=C3)CCCO2)S1	REAL300004087557	1	40	-2.0	-111.95	351.09	3.98	-107.97
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2CCCC3(CC3)S2(=O)=O)S1	REAL300004087568	1	41	-2.0	-123.50	365.36	3.30	-120.20
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CCCO2)S1	REAL300004087574	1	41	-2.0	-110.43	340.25	5.30	-105.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCCCO2)S1	REAL300004087585	1	43	-2.0	-111.81	359.16	7.13	-104.68
CC1=CC(COCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=NO1	REAL300004087595	1	35	-2.0	-107.42	327.56	4.61	-102.81
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=N2)S1	REAL300004087602	1	32	-2.0	-111.57	302.53	3.35	-108.22
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2CCC(CO)CC2)S1	REAL300004087604	1	41	-2.0	-109.14	343.17	0.83	-108.31
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)CC2=CC=C(O)C=C2)S1	REAL300004087605	1	42	-2.0	-107.80	360.89	4.93	-102.87
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2)C2=CC=CC=C2C)S1	REAL300004087606	1	45	-2.0	-112.76	384.55	9.89	-102.87
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2CCCO2)S1	REAL300004087607	1	39	-2.0	-104.77	324.58	4.58	-100.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCC(CC2)C3(C)C)S1	REAL300004087614	1	42	-2.0	-111.74	332.37	6.74	-105.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C(C)(F)F)CCOCC2)S1	REAL300004087616	1	39	-2.0	-100.41	326.66	5.33	-95.08
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CCC2)S1	REAL300004087617	1	40	-2.0	-112.90	333.93	6.43	-106.47
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCCCO3)CCCO2)S1	REAL300004087618	1	44	-2.0	-110.36	361.39	4.88	-105.48
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC(C)=CC=C2)C2CCCCC2)S1	REAL300004087619	1	51	-2.0	-110.03	413.12	10.41	-99.62
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC(Cl)=C2)S1	REAL300004087625	1	33	-2.0	-104.58	321.73	4.61	-99.97
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC(Cl)=C1	REAL300004087626	1	38	-2.0	-105.04	349.36	7.85	-97.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3=CC(C)=CC=C3S2)S1	REAL300004087627	1	37	-2.0	-110.59	342.04	7.69	-102.90
COCC1=NC=C(C(=O)NC2=NC(CC(=O)[O-])=C(C)S2)C(=O)[N-]1	REAL300004087639	1	35	-2.0	-97.74	323.91	1.79	-95.95
COCC1=NC=C(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C(=O)N1	REAL300004087639	1	35	-2.0	-125.17	326.67	1.99	-123.18
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC(C)=CC=C2C)C(C)C)S1	REAL300004087644	1	47	-2.0	-108.74	386.85	10.02	-98.72
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCCC2=CC=C(Cl)S2)S1	REAL300004087648	1	36	-2.0	-105.14	360.14	6.93	-98.21
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=C(C(F)(F)F)C3=C2CCC3)S1	REAL300004087651	1	39	-2.0	-108.73	365.31	6.35	-102.38
CCC(F)(F)C(C)(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004087653	1	37	-2.0	-111.72	320.25	5.72	-106.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCCC2=CC=CS2)S1	REAL300004087654	1	36	-2.0	-106.67	343.09	6.32	-100.35
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1CCCOC1	REAL300004087657	1	40	-2.0	-110.79	340.41	4.02	-106.77
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCNS2(=O)=O)S1	REAL300004087665	1	34	-2.0	-118.08	314.30	-0.44	-118.52
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2C)C2CCCC2)S1	REAL300004087672	1	48	-2.0	-111.12	389.59	10.56	-100.56
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC(C(F)(F)F)=C2)S1	REAL300004087677	1	38	-2.0	-103.85	352.11	7.68	-96.17
CSC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C(C)C	REAL300004087686	1	35	-2.0	-107.61	311.75	5.81	-101.80
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CN=C(C3CCC3)NC2=O)S1	REAL300004087687	1	38	-2.0	-123.41	340.57	4.87	-118.54
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(F)C=C2)S1	REAL300004087692	1	35	-2.0	-103.84	320.21	6.77	-97.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCC3=NC=NN32)S1	REAL300004087693	1	35	-2.0	-115.48	312.70	5.82	-109.66
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)OCC(F)(F)F)S1	REAL300004087695	1	35	-2.0	-107.68	324.75	5.02	-102.66
CCOC1=CC=C(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)N=C1	REAL300004087698	1	38	-2.0	-110.84	340.99	4.70	-106.14
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCCO1	REAL300004087700	1	37	-2.0	-115.82	323.76	2.84	-112.98
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCC(CC2)C3(C)C)S1	REAL300004087702	1	42	-2.0	-111.74	332.37	6.74	-105.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(C3CC3)C=C2)S1	REAL300004087703	1	40	-2.0	-106.31	354.22	6.20	-100.11
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CC=C2C)C2CCCCC2)S1	REAL300004087705	1	51	-2.0	-109.56	407.07	11.22	-98.34
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=NN(C)C=C2)S1	REAL300004087707	1	38	-2.0	-111.11	335.74	4.98	-106.13
CC1=CN(C(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)N=C1	REAL300004087708	1	35	-2.0	-103.06	316.37	4.62	-98.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CSC(C3=CC=CC=C3)=N2)S1	REAL300004087709	1	37	-2.0	-110.62	347.74	5.37	-105.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(N3C=CN=N3)CC2)S1	REAL300004087711	1	32	-2.0	-101.86	300.19	3.95	-97.91
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCC(CC2)CC3)S1	REAL300004087712	1	39	-2.0	-110.94	320.15	6.55	-104.39
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CC3=CC=CC=C3C2)S1	REAL300004087734	1	39	-2.0	-109.37	339.23	7.81	-101.56
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=C(F)C(Cl)=C2)S1	REAL300004087735	1	35	-2.0	-103.89	336.40	7.26	-96.63
CCC(=O)N1CSC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004087744	1	37	-2.0	-116.46	337.24	5.39	-111.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCCN2CC2=CC=CC(F)=C2)S1	REAL300004087748	1	47	-2.0	-109.00	396.04	6.89	-102.11
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(F)C=C2C)S1	REAL300004087751	1	36	-2.0	-101.65	323.66	5.26	-96.39
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C#N)CC23CCOCC3)S1	REAL300004087753	1	38	-2.0	-108.25	334.70	4.81	-103.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2=CC=CN=C2)S1	REAL300004087754	1	39	-2.0	-106.10	344.39	4.52	-101.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C#N)CC23CCC3)S1	REAL300004087756	1	34	-2.0	-107.19	313.74	6.12	-101.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CC3(CCC3)C2)S1	REAL300004087757	1	39	-2.0	-107.19	344.33	7.44	-99.75
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=CN=C2)S1	REAL300004087758	0	31	-2.0	-106.59	302.07	4.49	-102.10
CCC(O)(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004087761	1	39	-2.0	-108.56	337.20	4.73	-103.83
CC(=O)N1CSC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004087774	1	34	-2.0	-113.55	313.43	4.66	-108.89
COC1=CC=CC2=C1CC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)CO2	REAL300004087775	1	41	-2.0	-109.79	355.35	5.33	-104.46
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC=C(F)C=C3)C(=O)CC2)S1	REAL300004087782	1	40	-2.0	-104.88	368.06	6.12	-98.76
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NN(C3=CC=C(C)C=C3)C(=O)CC2)S1	REAL300004087783	1	43	-2.0	-109.14	383.04	6.74	-102.40
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=C3CCCC3=NNC2=O)S1	REAL300004087788	1	35	-2.0	-123.06	314.48	3.37	-119.69
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(CC2CCCCC2)C2=CC=CC=C2)S1	REAL300004087791	1	51	-2.0	-109.07	414.77	10.50	-98.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)S1	REAL300004087795	1	46	-2.0	-109.17	380.71	5.55	-103.62
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23OC4C5COCC4C2C53)S1	REAL300004087797	1	37	-2.0	-116.49	320.39	3.23	-113.26
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CCOCC2)S1	REAL300004087798	1	44	-2.0	-107.72	349.24	6.66	-101.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)OC3(C)C)S1	REAL300004087805	1	40	-2.0	-104.76	335.31	4.76	-100.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)N2C=NN=N2)S1	REAL300004087806	1	33	-2.0	-100.02	304.27	3.58	-96.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CN=CN=C2)S1	REAL300004087807	1	36	-2.0	-105.11	319.61	5.05	-100.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CCCC2)S1	REAL300004087808	1	43	-2.0	-107.12	349.99	6.03	-101.09
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CC=CC1	REAL300004087809	1	37	-2.0	-110.81	323.96	5.15	-105.66
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=NC(C(C)(C)C)=N2)S1	REAL300004087821	1	39	-2.0	-106.32	350.95	3.79	-102.53
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2=NC=CN2C)S1	REAL300004087840	1	40	-2.0	-107.56	350.04	4.43	-103.13
COC1=CC=C(C(C)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=C1F	REAL300004087843	1	39	-2.0	-109.10	349.52	6.07	-103.03
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1CC(F)(F)C1	REAL300004087844	1	36	-2.0	-105.33	330.25	5.46	-99.87
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2CCCOC2)S1	REAL300004087845	1	37	-2.0	-106.68	323.66	3.64	-103.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COCC2=NC(C3CC3)=NO2)S1	REAL300004087846	1	38	-2.0	-110.36	353.55	3.51	-106.85
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(C(F)(F)F)C=C2)S1	REAL300004087851	1	36	-2.0	-101.30	343.55	5.12	-96.18
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=CC=C2C(F)(F)F)S1	REAL300004087852	1	36	-2.0	-109.44	330.57	5.86	-103.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(Cl)C(Cl)=C2)S1	REAL300004087853	1	33	-2.0	-100.32	336.74	5.09	-95.23
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2CCCCCC2)S1	REAL300004087856	1	42	-2.0	-106.06	337.24	4.73	-101.33
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC(F)=CC(F)=C2)S1	REAL300004087858	1	33	-2.0	-100.99	317.82	4.23	-96.76
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC(Cl)=CC=C3F)CCC2)S1	REAL300004087867	1	39	-2.0	-110.28	353.69	8.74	-101.54
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC(F)=CC=C3F)CCC2)S1	REAL300004087868	1	39	-2.0	-112.23	343.37	8.30	-103.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=NN=C2C2CC2)S1	REAL300004087869	1	34	-2.0	-105.15	319.53	4.08	-101.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(=O)C2=CC=C(C)C=C2)S1	REAL300004087875	0	34	-2.0	-110.61	314.84	5.98	-104.63
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(=O)C2=CC=C(Cl)C=C2)S1	REAL300004087876	0	31	-2.0	-105.12	310.16	5.82	-99.30
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCS(=O)(=O)CC2)S1	REAL300004087886	1	38	-2.0	-110.14	329.36	2.15	-107.99
C=CCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CC=CC1	REAL300004087888	1	37	-2.0	-107.37	320.86	7.61	-99.76
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(F)CC2CCCC2)S1	REAL300004087891	1	38	-2.0	-104.06	327.99	6.54	-97.52
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCCC2)S1	REAL300004087893	1	45	-2.0	-111.16	374.75	10.37	-100.79
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCCC2CC(=O)CC3)S1	REAL300004087894	1	41	-2.0	-104.37	331.00	7.23	-97.14
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCCO3)CC2)S1	REAL300004087895	1	37	-2.0	-106.26	320.91	5.17	-101.09
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCCCO2)S1	REAL300004087896	1	46	-2.0	-112.83	385.64	8.42	-104.41
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C=CCC1	REAL300004087900	1	37	-2.0	-110.83	323.57	5.09	-105.74
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CCCCO2)S1	REAL300004087901	1	36	-2.0	-106.07	321.71	4.52	-101.55
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCO[C@H]2C2=CC=C(F)C=C2)S1	REAL300004087902	1	40	-2.0	-104.99	357.32	6.44	-98.55
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H]2CCC3=CC=CC=C32)S1	REAL300004087908	1	36	-2.0	-111.55	316.57	7.60	-103.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=C(C3CCOC3)C=N2)S1	REAL300004087910	1	40	-2.0	-108.14	353.31	4.24	-103.90
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCCC2CCC3)S1	REAL300004087928	1	39	-2.0	-111.82	321.65	6.60	-105.22
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2OCCC[C@@H]2C2=CC=CC=C2)S1	REAL300004087929	1	43	-2.0	-104.95	352.65	8.51	-96.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2OCCC[C@H]2C2=CC=CC=C2)S1	REAL300004087930	1	43	-2.0	-110.44	365.37	8.37	-102.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CCCNS2(=O)=O)S1	REAL300004087931	1	37	-2.0	-111.66	325.54	0.71	-110.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC(C)=CC(F)=C2)S1	REAL300004087941	1	38	-2.0	-108.79	341.63	7.43	-101.36
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCC3=CC=NN32)S1	REAL300004087943	1	36	-2.0	-116.24	317.93	5.14	-111.10
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CC=CC=C2C(F)F)S1	REAL300004087947	1	36	-2.0	-110.04	335.01	6.90	-103.14
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=C(F)C=CC=C3Cl)CCC2)S1	REAL300004087960	1	39	-2.0	-110.89	353.95	8.53	-102.36
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)OC32CCC2)S1	REAL300004087962	1	41	-2.0	-105.50	345.34	5.55	-99.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)OC32CCOCC2)S1	REAL300004087963	1	45	-2.0	-107.62	366.55	4.23	-103.39
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCOCC3)CCOCC2)S1	REAL300004087969	1	47	-2.0	-106.62	359.16	5.99	-100.63
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC(F)=C2)S1	REAL300004087973	1	33	-2.0	-103.89	321.83	6.69	-97.20
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC(C3CC3)=NNC2=O)S1	REAL300004087979	1	35	-2.0	-118.41	323.87	3.77	-114.64
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCCCO3)CC2)S1	REAL300004087980	1	40	-2.0	-112.60	337.20	5.59	-107.01
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3)CCCO2)S1	REAL300004087981	1	43	-2.0	-111.38	374.68	7.52	-103.86
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H]2CCC3=CC=CC=C32)S1	REAL300004087995	1	36	-2.0	-109.11	319.97	7.22	-101.89
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CSC2=CC=CC(Cl)=C2)S1	REAL300004088000	1	33	-2.0	-103.92	332.15	7.13	-96.79
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=NC(C3CC3)=N2)S1	REAL300004088002	1	34	-2.0	-106.13	319.85	3.67	-102.46
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])S1	REAL300004088006	0	30	-2.0	-95.22	312.78	7.04	-88.18
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H](C)C2=CC=C3OCOC3=C2)S1	REAL300004088009	1	38	-2.0	-106.47	339.08	5.32	-101.15
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2CCN(S(C)(=O)=O)CC2)S1	REAL300004088010	1	44	-2.0	-111.02	387.43	2.46	-108.56
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C(C)=C3)CC2)S1	REAL300004088025	1	42	-2.0	-109.56	367.54	10.45	-99.11
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(F)C=C3C)CC2)S1	REAL300004088026	1	42	-2.0	-109.76	365.28	10.27	-99.49
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC4(C)CC(C)(CC(O)(C4)C2)C3)S1	REAL300004088028	1	50	-2.0	-113.13	389.37	4.99	-108.14
CSC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC(Cl)=C1	REAL300004088037	1	36	-2.0	-107.53	353.43	7.66	-99.87
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCOC2CCOC3)S1	REAL300004088058	1	38	-2.0	-115.94	317.95	3.71	-112.23
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2CC2)C2CCCO2)S1	REAL300004088059	1	40	-2.0	-105.03	338.30	6.10	-98.93
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(CC(F)(F)F)C2=CC=CC=C2)S1	REAL300004088064	1	38	-2.0	-103.09	349.35	7.61	-95.48
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCC3=C2N=CS3)S1	REAL300004088085	1	35	-2.0	-116.00	321.58	5.43	-110.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(N3C=NC=N3)CC2)S1	REAL300004088086	1	32	-2.0	-103.72	301.25	6.44	-97.28
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=NNC(=O)C(C)=C2)S1	REAL300004088095	1	31	-2.0	-103.10	294.66	1.58	-101.52
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(F)(F)CCN2C=CN=N2)S1	REAL300004088101	0	34	-2.0	-107.74	324.67	3.82	-103.92
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC=C(F)C=C2C)S1	REAL300004088102	0	35	-2.0	-103.79	327.44	6.74	-97.05
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(F)(F)CCN2C=CC=N2)S1	REAL300004088103	0	35	-2.0	-106.62	330.87	5.05	-101.57
CC1=NN=NN1C(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CC=C1	REAL300004088106	1	40	-2.0	-111.90	361.19	5.91	-105.99
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN2C2=CN=CC=N2)S1	REAL300004088107	1	39	-2.0	-108.34	337.67	2.90	-105.44
COCC(OC1=CC=C(Cl)C=C1C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004088118	1	43	-2.0	-108.99	392.74	6.97	-102.02
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(O)CCCCCC2)S1	REAL300004088119	1	39	-2.0	-105.96	318.12	3.47	-102.49
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(=O)C2=CC(Cl)=CC(Cl)=C2)S1	REAL300004088121	0	31	-2.0	-103.28	326.90	6.33	-96.95
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC=C(F)C(F)=C2)S1	REAL300004088125	1	38	-2.0	-102.11	342.20	7.23	-94.88
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=CC=C(Cl)C=C2C)S1	REAL300004088126	1	42	-2.0	-105.97	370.65	7.99	-97.98
COCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CC=CCC1	REAL300004088130	1	40	-2.0	-110.97	340.61	5.13	-105.84
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C(F)(F)F)CC3CCC2CC3)S1	REAL300004088132	1	42	-2.0	-107.85	341.55	7.53	-100.32
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC=C3)CCOC2)S1	REAL300004088134	1	40	-2.0	-109.41	342.96	6.38	-103.03
CCC1(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)CCCC2=CC=CC=C21	REAL300004088136	1	45	-2.0	-110.39	363.77	8.86	-101.53
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CC3)CCCO2)S1	REAL300004088137	1	37	-2.0	-110.04	319.99	5.34	-104.70
CCC(C)C1=CC=C(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C(=O)N1	REAL300004088138	1	41	-2.0	-129.18	355.51	5.61	-123.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C(C)(C)C)C=C2C)S1	REAL300004088139	1	51	-2.0	-108.75	419.15	9.51	-99.24
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H](C)OC2=CC=C(Cl)C=C2C)S1	REAL300004088140	1	39	-2.0	-105.27	359.47	7.74	-97.53
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)OC2=CC=C(C)C=C2C)S1	REAL300004088141	1	42	-2.0	-109.11	364.39	7.86	-101.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(CC(C)C)C2=CC=CC=C2)S1	REAL300004088143	1	44	-2.0	-107.24	368.75	9.56	-97.68
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(OCC(C)C)C(C)C)S1	REAL300004088152	1	44	-2.0	-108.58	366.75	7.57	-101.01
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(CC2=CC=CC=C2)C2=CC=C(F)C=C2)S1	REAL300004088155	1	45	-2.0	-105.50	399.39	10.31	-95.19
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004088156	1	45	-2.0	-105.88	395.90	9.04	-96.84
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)OC3C)S1	REAL300004088161	1	37	-2.0	-105.14	319.93	4.70	-100.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23COC(C=CC2)C3)S1	REAL300004088162	1	35	-2.0	-106.76	304.57	4.05	-102.71
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H](C)C2=CC=C(F)C=C2)S1	REAL300004088168	1	35	-2.0	-103.84	320.21	6.77	-97.07
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23COC(C2)CCC3)S1	REAL300004088171	1	37	-2.0	-106.54	309.21	4.16	-102.38
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCC(C)(C2)OC3)S1	REAL300004088172	1	37	-2.0	-106.48	317.75	4.16	-102.32
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(CC2=CC=C(F)C=C2)C2=CC=CC=C2)S1	REAL300004088173	1	45	-2.0	-106.29	399.40	10.31	-95.98
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCN(CCC2)S3(=O)=O)S1	REAL300004088177	1	38	-2.0	-114.32	330.50	1.65	-112.67
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@H](C)C2=CC(C)=CC=C2)S1	REAL300004088185	1	38	-2.0	-108.36	334.44	7.32	-101.04
CCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)N1C=NC=N1	REAL300004088192	1	34	-2.0	-99.50	308.80	6.02	-93.48
CC1=NN(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C(C)=C1C	REAL300004088193	1	38	-2.0	-111.00	338.42	5.19	-105.81
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(Cl)C=C3F)CC2)S1	REAL300004088195	1	36	-2.0	-111.25	348.37	8.01	-103.24
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CC(C(F)(F)F)=CO2)S1	REAL300004088197	1	32	-2.0	-104.19	318.46	5.36	-98.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCC3=NN=CN32)S1	REAL300004088200	1	35	-2.0	-108.17	309.48	6.63	-101.54
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2C=CC3=CC(F)=CC=C32)S1	REAL300004088202	1	36	-2.0	-103.77	336.55	7.70	-96.07
COC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C1=CC=CN=C1	REAL300004088205	1	35	-2.0	-107.98	323.88	4.41	-103.57
C=CCOCC(C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1)C(C)(C)C	REAL300004088239	1	45	-2.0	-104.81	370.44	7.25	-97.56
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3(C)CCCN3S2(=O)=O)S1	REAL300004088240	1	41	-2.0	-116.73	349.05	2.45	-114.28
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCC(C)(CC2)CO3)S1	REAL300004088251	1	40	-2.0	-113.51	332.35	4.96	-108.55
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=CC(C)=C(C)NC2=O)S1	REAL300004088255	1	35	-2.0	-131.80	315.79	4.09	-127.71
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(C)C=C3F)CC2)S1	REAL300004088260	1	39	-2.0	-115.18	353.04	8.17	-107.01
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)OC2=C(F)C=CC=C2F)S1	REAL300004088267	1	39	-2.0	-116.52	349.25	7.11	-109.41
CC1=C(CC(=O)[O-])N=C([N-]C(=O)COC2=CN(C)N=C2)S1	REAL300004088280	1	33	-2.0	-109.14	309.83	3.69	-105.45
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCC(C(F)(F)F)(CC2)C3)S1	REAL300004088286	1	39	-2.0	-105.08	345.87	6.87	-98.21
CC=CC1=CC=C(OCC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)C(OC)=C1	REAL300004088290	1	44	-2.0	-113.18	387.82	7.68	-105.50
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2COC3COCC32)S1	REAL300004088305	1	35	-2.0	-102.51	305.41	1.85	-100.66
CC1=C(CC(=O)[O-])N=C(NC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)S1	REAL300004088312	0	38	-2.0	-103.73	347.69	4.23	-99.50
COC1=CC=CC=C1OC(C)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004088325	1	40	-2.0	-114.06	352.17	6.23	-107.83
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=CC(Cl)=C2C)S1	REAL300004088326	1	32	-2.0	-104.17	314.43	4.51	-99.66
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCC(C3CCCO3)O2)S1	REAL300004088329	1	41	-2.0	-114.06	349.76	5.09	-108.97
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC=CC3=CC=CC=C32)S1	REAL300004088335	1	37	-2.0	-108.45	329.53	7.75	-100.70
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23COC(C)(C2)CCC3)S1	REAL300004088349	1	40	-2.0	-107.92	329.96	4.86	-103.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2C(C)(C)C2(F)F)S1	REAL300004088356	1	32	-2.0	-106.58	293.94	5.25	-101.33
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2C(F)(F)C23CCC3)S1	REAL300004088358	1	33	-2.0	-107.96	305.61	6.04	-101.92
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCOCC3)CC2(F)F)S1	REAL300004088363	1	40	-2.0	-109.23	344.46	5.95	-103.28
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3CCC3)CC2(F)F)S1	REAL300004088364	1	36	-2.0	-107.45	317.83	7.01	-100.44
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CN2N=NC3=CC=CC=C32)S1	REAL300004088369	1	34	-2.0	-109.76	319.44	4.20	-105.56
COC1=CC=C2C(=C1)CCCC2C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004088378	1	43	-2.0	-110.00	361.11	8.00	-102.00
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC=C(Cl)C=C2Cl)S1	REAL300004088381	1	33	-2.0	-103.41	331.92	5.44	-97.97
CC1=NN(C)C(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=C1	REAL300004088383	1	35	-2.0	-106.24	318.32	4.21	-102.03
COC1=CC=CC(CC(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=N1	REAL300004088385	1	35	-2.0	-111.37	321.75	3.10	-108.27
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)C2=CC(C(F)(F)F)=CC=N2)S1	REAL300004088386	1	40	-2.0	-107.93	364.90	6.64	-101.29
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(F)C2CCOC2)S1	REAL300004088416	1	33	-2.0	-102.62	293.79	3.19	-99.43
CCC1(C)CCC(C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)O1	REAL300004088417	1	39	-2.0	-110.07	332.16	5.75	-104.32
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CC3(CCC3)CO2)S1	REAL300004088421	1	37	-2.0	-109.94	320.29	5.43	-104.51
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CCC(C2)S(=O)(=O)CC3)S1	REAL300004088427	1	39	-2.0	-108.50	333.95	2.62	-105.88
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCC3=NC=CC=C32)S1	REAL300004088428	1	38	-2.0	-106.93	326.69	6.89	-100.04
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCC3(CCOCC3)O2)S1	REAL300004088453	1	41	-2.0	-109.58	346.05	4.56	-105.02
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCC3(CCC3)O2)S1	REAL300004088454	1	37	-2.0	-110.65	321.78	5.62	-105.03
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC3=CC=CC=C32)S1	REAL300004088457	1	41	-2.0	-111.37	355.71	8.80	-102.57
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)C2=CC=CC=C2Cl)S1	REAL300004088458	1	35	-2.0	-107.80	327.50	7.11	-100.69
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)N2C=CC(C3CC3)=N2)S1	REAL300004088462	1	39	-2.0	-103.96	345.44	5.99	-97.97
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=C(F)C=C2)C2CC2)S1	REAL300004088465	1	39	-2.0	-104.96	347.45	8.83	-96.13
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC(C)(C2)OCC3)S1	REAL300004088469	1	37	-2.0	-106.60	316.15	4.35	-102.25
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC4(C)CC(C)(CC(F)(C4)C2)C3)S1	REAL300004088470	1	49	-2.0	-112.98	384.78	8.37	-104.61
CC1=CC(C(F)(F)C(=O)[N-]C2=NC(CC(=O)[O-])=C(C)S2)=CS1	REAL300004088471	0	32	-2.0	-106.42	319.90	6.06	-100.36
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CN(C)N=C2)S1	REAL300004088472	0	32	-2.0	-107.37	311.56	4.09	-103.28
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=NC=C3)CC2)S1	REAL300004088486	1	35	-2.0	-108.60	313.87	6.55	-102.05
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C)(C)N2C=CC(C3CC3)=N2)S1	REAL300004088487	1	42	-2.0	-107.21	367.24	6.73	-100.48
COC12CCC(C(=O)[N-]C3=NC(CC(=O)[O-])=C(C)S3)(CC1)C2	REAL300004088491	1	40	-2.0	-108.30	337.36	4.80	-103.50
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC4CC(CC(C4)O2)C3)S1	REAL300004088492	1	41	-2.0	-115.32	329.49	5.53	-109.79
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CCOCC2)S1	REAL300004088493	1	40	-2.0	-105.82	349.78	6.10	-99.72
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=C(C)C=C2)C2CC2)S1	REAL300004088497	1	42	-2.0	-109.14	362.44	9.44	-99.70
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C(F)C=C3C)CC2)S1	REAL300004088499	1	39	-2.0	-106.40	348.41	7.86	-98.54
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC(F)=CC=C3C)CC2)S1	REAL300004088500	1	39	-2.0	-108.30	349.01	7.84	-100.46
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CC2)S1	REAL300004088501	1	38	-2.0	-107.58	346.89	9.00	-98.58
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C)CC(C)OC(C)C2)S1	REAL300004088505	1	42	-2.0	-107.33	346.57	5.18	-102.15
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@]23COC[C@H]2C3(F)F)S1	REAL300004088507	1	31	-2.0	-106.31	295.30	3.30	-103.01
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(F)(F)C2=CC(F)=CC=C2C)S1	REAL300004088508	0	35	-2.0	-105.31	327.43	6.74	-98.57
CCC1=CC=CC=C1C(F)(F)C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004088509	0	38	-2.0	-110.29	338.17	7.23	-103.06
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2=C3CCCCC3=NNC2=O)S1	REAL300004088524	1	38	-2.0	-121.78	329.03	3.98	-117.80
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC(C(F)(F)F)(C2)CO3)S1	REAL300004088541	1	34	-2.0	-105.46	322.70	4.04	-101.42
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CC(F)=C3C)CC2)S1	REAL300004088547	1	39	-2.0	-108.99	347.88	7.80	-101.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C3=CC=CS3)CCCC2)S1	REAL300004088548	1	39	-2.0	-109.13	343.33	7.93	-101.20
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(C2=CC=CS2)C2CCCCC2)S1	REAL300004088549	1	45	-2.0	-108.20	384.47	9.02	-99.18
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(C#N)CC3CC3C2)S1	REAL300004088551	1	34	-2.0	-105.79	310.74	5.89	-99.90
C=C(C)[C@@H]1OCCC[C@H]1C(=O)[N-]C1=NC(CC(=O)[O-])=C(C)S1	REAL300004088552	1	40	-2.0	-105.21	338.67	5.16	-100.05
CC1=C(CC(=O)[O-])N=C([N-]C(=O)CC2=CC(C(F)(F)F)=NN2C)S1	REAL300004088556	1	35	-2.0	-102.80	337.75	4.61	-98.19
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2CCCN3C=NN=C23)S1	REAL300004088570	1	35	-2.0	-123.47	311.96	6.37	-117.10
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2=CC(C)=CC=C2)S1	REAL300004088571	1	36	-2.0	-106.50	325.43	4.75	-101.75
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(CC3=CC=C(O)C=C3)CC2)S1	REAL300004088572	1	40	-2.0	-111.27	351.66	6.90	-104.37
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)CC2=CC=CC=C2)S1	REAL300004088578	1	36	-2.0	-105.56	328.56	4.77	-100.79
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C2(O)CCCC(C)CC2)S1	REAL300004088581	1	42	-2.0	-105.97	334.13	4.20	-101.77
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C(O)C2CCC(C(C)(C)C)CC2)S1	REAL300004088582	1	51	-2.0	-105.95	386.10	6.85	-99.10
CC1=C(CC(=O)[O-])N=C([N-]C(=O)[C@@H](O)CC2=CC3=CC=CC=C3C=C2)S1	REAL300004088589	1	42	-2.0	-107.29	373.88	6.98	-100.31
CC1=C(CC(=O)[O-])N=C([N-]C(=O)C23CC(C2)CN3C2CC2)S1	REAL300004088606	1	39	-2.0	-111.67	329.73	4.67	-107.00
CC1=C(C(C)C)N=C([N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)S1	REAL300004088734	1	43	-2.0	-92.93	391.32	3.13	-89.80
CC1=C(C(C)C)N=C([N-]C(=O)CN2C=C(C(=O)[O-])N=N2)S1	REAL300004088750	1	34	-2.0	-101.55	315.82	3.47	-98.08
CC1=C(C(C)C)N=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)C3)S1	REAL300004088760	1	42	-2.0	-99.22	346.42	7.12	-92.10
CC1=C(C(C)C)N=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004088761	1	45	-2.0	-93.95	359.56	7.69	-86.26
CC1=C(C(C)C)N=C([N-]C(=O)CN2C=C(C(=O)[O-])C=N2)S1	REAL300004088767	1	35	-2.0	-100.37	319.35	4.88	-95.49
CC1=C(C(C)C)N=C([N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)S1	REAL300004088771	1	44	-2.0	-108.96	382.30	7.38	-101.58
CC1=C(C(C)C)N=C([N-]C(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)S1	REAL300004088775	1	39	-2.0	-106.19	334.94	6.17	-100.02
CC1=C(C(C)C)N=C([N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)S1	REAL300004088780	1	38	-2.0	-113.39	345.38	2.38	-111.01
CC1=C(C(C)C)N=C([N-]C(=O)CN2C=CC(C(=O)[O-])=N2)S1	REAL300004088785	1	35	-2.0	-114.19	320.07	4.97	-109.22
CC1=C(C(C)C)N=C([N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)S1	REAL300004088787	1	42	-2.0	-103.80	357.83	6.66	-97.14
CC1=C(C(C)C)N=C([N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)S1	REAL300004088795	1	42	-2.0	-108.55	370.62	8.88	-99.67
CC1=C(C(C)C)N=C([N-]C(=O)C23CC(C(=O)[O-])(C2)CO3)S1	REAL300004088816	1	37	-2.0	-97.94	324.78	4.33	-93.61
CC1=C(C(C)C)N=C([N-]C(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])S1	REAL300004088828	1	41	-2.0	-124.43	338.79	8.05	-116.38
CC1=C(C(C)C)N=C([N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)S1	REAL300004088833	1	45	-2.0	-93.95	359.56	7.69	-86.26
O=C([O-])C1=CC(CC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)=CC=C1	REAL300004089107	1	39	-2.0	-107.35	372.92	9.94	-97.41
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CC1	REAL300004089108	1	33	-2.0	-115.08	322.26	7.86	-107.22
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CC1	REAL300004089109	1	33	-2.0	-115.08	322.26	7.86	-107.22
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)C=C1	REAL300004089118	1	39	-2.0	-100.17	372.91	9.95	-90.22
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)N=N1	REAL300004089119	1	35	-2.0	-104.11	350.06	5.94	-98.17
O=C([O-])C12CC(C(=O)[N-]C3=NC=C(CC4=CC(F)=CC(F)=C4)S3)(C1)C2	REAL300004089127	1	37	-2.0	-98.44	351.48	8.84	-89.60
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCC1	REAL300004089128	1	36	-2.0	-114.83	335.10	8.43	-106.40
CC(C)(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300004089129	1	35	-2.0	-116.72	329.99	8.44	-108.28
O=C([O-])C12CCC(C(=O)[N-]C3=NC=C(CC4=CC(F)=CC(F)=C4)S3)(CC1)C2	REAL300004089131	1	43	-2.0	-101.89	382.05	9.63	-92.26
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CCCC1	REAL300004089136	1	39	-2.0	-117.70	351.58	9.08	-108.62
O=C([O-])C1=CN(CC(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)N=C1	REAL300004089139	1	36	-2.0	-102.62	354.96	7.42	-95.20
O=C([O-])C1(C(=O)[N-]C2=NC=C(CC3=CC(F)=CC(F)=C3)S2)CC2(CCC2)C1	REAL300004089141	1	43	-2.0	-119.11	380.06	9.98	-109.13
O=C([O-])COCC(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300004089144	1	33	-2.0	-108.73	327.18	7.07	-101.66
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CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300004089147	1	41	-2.0	-105.91	368.21	8.81	-97.10
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CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1	REAL300004089188	1	36	-2.0	-115.54	339.92	8.42	-107.12
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CC(C)(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1	REAL300004089226	1	35	-2.0	-121.46	327.92	8.33	-113.13
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CC1(C(=O)[O-])CC(C(=O)[N-]C2=NC=C(CC3=C(F)C=CC=C3F)S2)C1	REAL300004089268	1	39	-2.0	-105.61	355.16	8.60	-97.01
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CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300004089960	1	47	-2.0	-94.70	355.20	7.72	-86.98
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CC(C)(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300004089976	1	41	-2.0	-111.13	327.79	7.42	-103.71
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O=C([O-])C12CCC(C(=O)[N-]C3=NC(C4CCCCCC4)=CS3)(CC1)CC2	REAL300004089979	1	52	-2.0	-92.98	391.02	9.15	-83.83
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300004089980	1	47	-2.0	-94.70	355.20	7.72	-86.98
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CC(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300004089982	1	44	-2.0	-98.27	345.45	7.36	-90.91
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CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300004089998	1	47	-2.0	-101.40	366.00	7.83	-93.57
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O=C([O-])C1(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC=CC1	REAL300004090040	1	43	-2.0	-118.50	342.58	7.79	-110.71
O=C([O-])CC1(CC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC1	REAL300004090043	1	45	-2.0	-106.53	356.59	7.93	-98.60
O=C([O-])C1C(F)(F)C12CC(C(=O)[N-]C1=NC(C3CCCCCC3)=CS1)C2	REAL300004090044	1	46	-2.0	-93.88	380.11	8.81	-85.07
COC(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300004090046	1	39	-2.0	-115.49	323.28	5.91	-109.58
C[C@]1(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C[C@H]1C(=O)[O-]	REAL300004090047	1	42	-2.0	-125.37	341.92	7.34	-118.03
O=C([O-])C1=NC=CC=C1CCC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300004090050	1	47	-2.0	-117.85	379.64	7.75	-110.10
O=C([O-])C12CC(C(=O)[N-]C3=NC(C4CCCCCC4)=CS3)(C1)OC2	REAL300004090051	1	44	-2.0	-96.33	355.89	5.81	-90.52
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300004090053	1	42	-2.0	-115.75	335.73	7.69	-108.06
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)CC2(CCC2)C1	REAL300004090054	1	49	-2.0	-119.23	377.30	8.98	-110.25
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300004090061	1	43	-2.0	-118.27	347.55	7.85	-110.42
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300004090063	1	47	-2.0	-130.96	366.05	6.65	-124.31
CC(C)[C@]1(C(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C[C@H]1C(=O)[O-]	REAL300004090065	1	48	-2.0	-128.10	375.72	8.39	-119.71
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300004090066	1	48	-2.0	-98.06	385.37	9.36	-88.70
O=C([O-])C1=CSC(CC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)=C1	REAL300004090067	1	42	-2.0	-100.71	362.26	8.11	-92.60
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC(C3CCCCCC3)=CS2)C=C1F	REAL300004090068	1	45	-2.0	-97.93	375.25	8.99	-88.94
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[N-]C1=NC(C2CCCCCC2)=CS1	REAL300004090069	1	45	-2.0	-120.64	352.53	7.83	-112.81
O=C([O-])C12CCC(C(=O)[N-]C3=NC(C4CCCCCC4)=CS3)(CC1)CC2	REAL300004090070	1	52	-2.0	-92.98	391.02	9.15	-83.83
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)CC1	REAL300004090076	1	39	-2.0	-114.33	344.28	7.36	-106.97
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)CC1	REAL300004090077	1	39	-2.0	-114.33	344.28	7.36	-106.97
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090080	1	47	-2.0	-95.11	371.76	8.31	-86.80
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)C1	REAL300004090082	1	45	-2.0	-101.98	377.64	8.36	-93.62
O=C([O-])C12CC(C(=O)[N-]C3=NC(C4CCCC(C(F)(F)F)C4)=CS3)(C1)C2	REAL300004090084	1	43	-2.0	-96.98	365.99	8.44	-88.54
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)CCC1	REAL300004090085	1	42	-2.0	-116.69	350.06	7.88	-108.81
CC(C)(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090086	1	41	-2.0	-112.25	344.48	7.97	-104.28
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090087	1	47	-2.0	-95.11	371.76	8.31	-86.80
O=C([O-])CCCC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090088	1	41	-2.0	-101.07	349.41	7.48	-93.59
CC(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090089	1	44	-2.0	-98.71	362.01	7.95	-90.76
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)CCCC1	REAL300004090091	1	45	-2.0	-119.91	367.58	8.49	-111.42
O=C([O-])CSCCC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090092	1	42	-2.0	-91.78	372.44	8.07	-83.71
O=C([O-])COCC(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090094	1	39	-2.0	-104.67	341.53	6.64	-98.03
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090095	1	47	-2.0	-101.86	382.57	8.42	-93.44
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)C1	REAL300004090096	1	45	-2.0	-101.98	377.64	8.36	-93.62
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090098	1	42	-2.0	-122.29	358.43	7.62	-114.67
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090099	1	42	-2.0	-122.29	358.43	7.62	-114.67
O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090100	1	39	-2.0	-119.07	344.10	7.26	-111.81
CCC(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090101	1	41	-2.0	-116.92	347.56	7.32	-109.60
CC(C)C(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090102	1	44	-2.0	-116.34	358.45	7.94	-108.40
O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090103	1	39	-2.0	-101.62	346.62	7.30	-94.32
O=C([O-])[C@H]1C[C@@H](C(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)C1	REAL300004090104	1	42	-2.0	-101.66	354.72	7.89	-93.77
CC1(C(=O)[O-])CC(C(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)C1	REAL300004090105	1	45	-2.0	-101.33	371.73	8.30	-93.03
CCCC(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090107	1	44	-2.0	-119.71	369.05	8.10	-111.61
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)CC=CC1	REAL300004090108	1	43	-2.0	-118.78	359.72	8.39	-110.39
O=C([O-])CC1(CC(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)CC1	REAL300004090109	1	45	-2.0	-106.54	375.19	8.60	-97.94
COC(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090110	1	39	-2.0	-116.61	339.86	6.48	-110.13
C[C@]1(C(=O)[N-]C2=NC(C3CCCC(C(F)(F)F)C3)=CS2)C[C@H]1C(=O)[O-]	REAL300004090111	1	42	-2.0	-121.21	354.04	8.98	-112.23
CC(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090112	1	38	-2.0	-112.15	326.24	7.41	-104.74
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090113	1	42	-2.0	-114.94	359.29	8.28	-106.66
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090114	1	43	-2.0	-118.67	364.72	8.47	-110.20
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[N-]C1=NC(C2CCCC(C(F)(F)F)C2)=CS1	REAL300004090115	1	45	-2.0	-120.29	369.21	8.43	-111.86
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)CC1	REAL300004090121	1	39	-2.0	-118.48	336.61	7.51	-110.97
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)CC1	REAL300004090122	1	39	-2.0	-118.48	336.61	7.51	-110.97
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090125	1	47	-2.0	-93.27	379.42	8.19	-85.08
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)C1	REAL300004090127	1	45	-2.0	-100.77	377.65	8.35	-92.42
O=C([O-])C12CC(C(=O)[N-]C3=NC(C4CCC(C(F)(F)F)CC4)=CS3)(C1)C2	REAL300004090129	1	43	-2.0	-94.66	373.51	8.35	-86.31
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)CCC1	REAL300004090130	1	42	-2.0	-121.29	350.06	7.91	-113.38
CC(C)(C(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090131	1	41	-2.0	-109.72	352.14	7.85	-101.87
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090132	1	47	-2.0	-93.27	379.42	8.19	-85.08
O=C([O-])CCCC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090133	1	41	-2.0	-99.07	357.06	7.37	-91.70
CC(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090134	1	44	-2.0	-96.79	369.67	7.84	-88.95
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)CCCC1	REAL300004090136	1	45	-2.0	-123.45	367.58	8.52	-114.93
O=C([O-])CSCCC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090137	1	42	-2.0	-89.97	380.09	7.96	-82.01
O=C([O-])COCC(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090139	1	39	-2.0	-102.54	349.19	6.53	-96.01
CC(C)(CCC(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090140	1	47	-2.0	-99.97	390.22	8.31	-91.66
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)C1	REAL300004090141	1	45	-2.0	-100.77	377.65	8.35	-92.42
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090143	1	42	-2.0	-121.60	358.41	7.62	-113.98
O=C([O-])[C@@H]1CC[C@@H]1C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090144	1	42	-2.0	-121.60	358.41	7.62	-113.98
O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090145	1	39	-2.0	-128.72	337.40	7.35	-121.37
CCC(C(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090146	1	41	-2.0	-114.23	355.22	7.21	-107.02
CC(C)C(C(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090147	1	44	-2.0	-115.10	371.29	7.78	-107.32
O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090148	1	39	-2.0	-100.25	346.63	7.30	-92.95
O=C([O-])[C@H]1C[C@@H](C(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)C1	REAL300004090149	1	42	-2.0	-101.62	362.35	7.78	-93.84
CC1(C(=O)[O-])CC(C(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)C1	REAL300004090150	1	45	-2.0	-98.74	379.38	8.19	-90.55
CCCC(C(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090152	1	44	-2.0	-113.10	371.80	8.02	-105.08
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)CC=CC1	REAL300004090153	1	43	-2.0	-116.17	368.75	8.13	-108.04
O=C([O-])CC1(CC(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)CC1	REAL300004090154	1	45	-2.0	-109.13	375.21	8.62	-100.51
COC(C(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090155	1	39	-2.0	-113.85	347.50	6.38	-107.47
C[C@]1(C(=O)[N-]C2=NC(C3CCC(C(F)(F)F)CC3)=CS2)C[C@H]1C(=O)[O-]	REAL300004090156	1	42	-2.0	-122.86	366.14	7.81	-115.05
CC(C(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090157	1	38	-2.0	-109.52	333.90	7.30	-102.22
CC1CC1(C(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090158	1	42	-2.0	-114.20	361.93	7.93	-106.27
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090159	1	43	-2.0	-116.02	372.38	8.35	-107.67
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[N-]C1=NC(C2CCC(C(F)(F)F)CC2)=CS1	REAL300004090160	1	45	-2.0	-123.31	369.21	8.45	-114.86
O=C([O-])C1=CC=C(CCC(=O)[N-]C2=NC(C3CCCCC3)=CS2)C=C1	REAL300004090167	1	45	-2.0	-92.92	378.95	9.34	-83.58
O=C([O-])C1=CC=CC=C1CCC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300004090174	1	45	-2.0	-116.38	370.35	9.07	-107.31
O=C([O-])C1=CC(CC(=O)[N-]C2=NC(C3CCCCC3)=CS2)=CC=C1	REAL300004090176	1	42	-2.0	-104.56	357.55	8.52	-96.04
O=C([O-])C1CCCC(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300004090177	1	45	-2.0	-105.40	352.94	7.90	-97.50
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300004090180	1	44	-2.0	-94.78	342.03	7.28	-87.50
O=C([O-])[C@H]1CC[C@H](C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC1	REAL300004090183	1	45	-2.0	-93.64	360.00	8.09	-85.55
O=C([O-])C1CCC(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC1	REAL300004090184	1	45	-2.0	-93.64	360.01	8.09	-85.55
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC(C3CCCCC3)=CS2)C=C1	REAL300004090185	1	42	-2.0	-97.12	357.54	8.53	-88.59
O=C([O-])C1=CN(CC(=O)[N-]C2=NC(C3CCCCC3)=CS2)N=N1	REAL300004090186	1	38	-2.0	-100.17	334.69	4.52	-95.65
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300004090189	1	42	-2.0	-102.21	340.26	7.44	-94.77
O=C([O-])C12CC(C(=O)[N-]C3=NC(C4CCCCC4)=CS3)(C1)C2	REAL300004090194	1	40	-2.0	-95.72	336.12	7.44	-88.28
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCC1	REAL300004090195	1	39	-2.0	-115.43	319.74	7.01	-108.42
O=C(CC1CCC(C(=O)[O-])CC1)[N-]C1=NC(C2CCCCC2)=CS1	REAL300004090196	1	48	-2.0	-100.63	369.34	8.53	-92.10
O=C([O-])C12CCC(C(=O)[N-]C3=NC(C4CCCCC4)=CS3)(CC1)C2	REAL300004090197	1	46	-2.0	-97.70	366.69	8.23	-89.47
O=C([O-])C12CCC(C(=O)[N-]C3=NC(C4CCCCC4)=CS3)(CC1)CC2	REAL300004090198	1	49	-2.0	-92.73	378.45	8.73	-84.00
CC(C)(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300004090199	1	44	-2.0	-94.78	342.03	7.28	-87.50
CC(CC(=O)[O-])CC(=O)[N-]C1=NC(C2CCCCC2)=CS1	REAL300004090200	1	41	-2.0	-98.18	332.28	6.92	-91.26
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CCCC1	REAL300004090204	1	42	-2.0	-117.71	337.87	7.46	-110.25
O=C([O-])C1=CC=C2CCCC(CC(=O)[N-]C3=NC(C4CCCCC4)=CS3)C2=C1	REAL300004090205	1	52	-2.0	-106.34	411.77	10.75	-95.59
O=C([O-])C1=CN(CC(=O)[N-]C2=NC(C3CCCCC3)=CS2)N=C1	REAL300004090208	1	39	-2.0	-98.88	339.62	6.00	-92.88
O=C([O-])C1(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)CC2(CCC2)C1	REAL300004090210	1	46	-2.0	-118.63	364.70	8.56	-110.07
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]C2=NC(C3CCCCC3)=CS2)C1	REAL300004090212	1	48	-2.0	-107.44	401.17	8.44	-99.00
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O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300004090672	1	42	-2.0	-128.85	360.17	5.74	-123.11
CC(C)[C@]1(C(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C[C@H]1C(=O)[O-]	REAL300004090673	1	43	-2.0	-125.17	369.98	7.49	-117.68
CC1=CC(C(=O)[O-])=CC=C1CC(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300004090674	1	43	-2.0	-97.69	381.54	8.53	-89.16
O=C([O-])C1=CSC(CC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)=C1	REAL300004090675	1	37	-2.0	-100.26	356.39	7.20	-93.06
O=C([O-])C1=CC=C(CC(=O)[N-]C2=NC(COC3=CC=CC=C3)=CS2)C=C1F	REAL300004090676	1	40	-2.0	-97.73	369.39	8.08	-89.65
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)[N-]C1=NC(COC2=CC=CC=C2)=CS1	REAL300004090677	1	40	-2.0	-118.95	346.82	6.93	-112.02
O=C([O-])C12CCC(C(=O)[N-]C3=NC(COC4=CC=CC=C4)=CS3)(CC1)CC2	REAL300004090678	1	47	-2.0	-91.93	385.74	8.26	-83.67
COC1=CC=CC(CC2=CN=C([N-]C(=O)CC3=CC=CC(C(=O)[O-])=C3)S2)=C1	REAL300004091086	1	43	-2.0	-112.00	389.60	9.10	-102.90
COC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC3)S2)=C1	REAL300004091087	1	37	-2.0	-118.85	338.95	7.02	-111.83
COC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC3)S2)=C1	REAL300004091088	1	37	-2.0	-118.85	338.95	7.02	-111.83
COC1=CC=CC(CC2=CN=C([N-]C(=O)CC3=CC=C(C(=O)[O-])C=C3)S2)=C1	REAL300004091097	1	43	-2.0	-104.49	389.59	9.11	-95.38
COC1=CC=CC(CC2=CN=C([N-]C(=O)CN3C=C(C(=O)[O-])N=N3)S2)=C1	REAL300004091098	1	39	-2.0	-108.45	366.74	5.10	-103.35
COC1=CC=CC(CC2=CN=C([N-]C(=O)C34CC(C(=O)[O-])(C3)C4)S2)=C1	REAL300004091106	1	41	-2.0	-102.14	368.17	8.01	-94.13
COC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CCC3)S2)=C1	REAL300004091107	1	40	-2.0	-119.28	351.78	7.59	-111.69
COC1=CC=CC(CC2=CN=C([N-]C(=O)C(C)(C)C(=O)[O-])S2)=C1	REAL300004091108	1	39	-2.0	-121.83	346.80	7.58	-114.25
COC1=CC=CC(CC2=CN=C([N-]C(=O)C34CCC(C(=O)[O-])(CC3)C4)S2)=C1	REAL300004091110	1	47	-2.0	-106.56	398.99	8.81	-97.75
COC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CCCC3)S2)=C1	REAL300004091115	1	43	-2.0	-122.31	368.26	8.24	-114.07
COC1=CC=CC(CC2=CN=C([N-]C(=O)CN3C=C(C(=O)[O-])C=N3)S2)=C1	REAL300004091118	1	40	-2.0	-106.95	371.67	6.58	-100.37
COC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC4(CCC4)C3)S2)=C1	REAL300004091120	1	47	-2.0	-123.12	396.74	9.15	-113.97
COC1=CC=CC(CC2=CN=C([N-]C(=O)COCC(=O)[O-])S2)=C1	REAL300004091124	1	37	-2.0	-113.03	343.86	6.23	-106.80
COC1=CC=CC(CC2=CN=C([N-]C(=O)[C@H]3C[C@@H](C)[C@H](C(=O)[O-])O3)S2)=C1	REAL300004091126	1	44	-2.0	-113.20	387.30	7.90	-105.30
COC1=CC=CC(CC2=CN=C([N-]C(=O)C(C)(C)CCC(=O)[O-])S2)=C1	REAL300004091127	1	45	-2.0	-110.39	384.89	7.97	-102.42
COC1=CC=CC(CC2=CN=C([N-]C(=O)CN3C=CC(C(=O)[O-])=N3)S2)=C1	REAL300004091137	1	40	-2.0	-122.38	371.00	6.60	-115.78
COC1=CC=CC(CC2=CN=C([N-]C(=O)[C@H]3CC[C@@H](CCC(=O)[O-])O3)S2)=C1	REAL300004091139	1	47	-2.0	-111.21	408.76	8.34	-102.87
COC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC=CC3)S2)=C1	REAL300004091163	1	41	-2.0	-122.55	363.43	7.80	-114.75
COC1=CC=CC(CC2=CN=C([N-]C(=O)C(OC)C(=O)[O-])S2)=C1	REAL300004091168	1	37	-2.0	-121.36	342.17	6.09	-115.27
COC1=CC=CC(CC2=CN=C([N-]C(=O)[C@@]3(C)C[C@H]3C(=O)[O-])S2)=C1	REAL300004091169	1	40	-2.0	-131.43	358.51	7.85	-123.58
COC1=CC=CC(CC2=CN=C([N-]C(=O)C34CC(C(=O)[O-])(C3)CO4)S2)=C1	REAL300004091172	1	42	-2.0	-102.52	375.27	5.95	-96.57
COC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC3C)S2)=C1	REAL300004091175	1	40	-2.0	-119.39	356.60	7.59	-111.80
COC1=CC=CC(CC2=CN=C([N-]C(=O)C3(C(=O)[O-])CC4(CCC4)C3)S2)=C1	REAL300004091176	1	47	-2.0	-123.12	396.74	9.15	-113.97
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC=C(CC2=CC=CC(OC)=C2)S1	REAL300004091181	1	41	-2.0	-122.13	367.22	8.00	-114.13
COC1=CC=CC(CC2=CN=C([N-]C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C(=O)[O-])S2)=C1	REAL300004091183	1	45	-2.0	-137.81	384.94	6.78	-131.03
COC1=CC=CC(CC2=CN=C([N-]C(=O)[C@@]3(C(C)C)C[C@H]3C(=O)[O-])S2)=C1	REAL300004091184	1	46	-2.0	-133.87	394.60	8.48	-125.39
COC1=CC=CC(CC2=CN=C([N-]C(=O)CC3=CC=C(C(=O)[O-])C=C3C)S2)=C1	REAL300004091185	1	46	-2.0	-105.19	406.30	9.58	-95.61
COC1=CC=CC(CC2=CN=C([N-]C(=O)CC3=CC(C(=O)[O-])=CS3)S2)=C1	REAL300004091186	1	40	-2.0	-108.23	381.14	8.25	-99.98
CC1=C(CCC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300004092590	1	54	-2.0	-107.75	424.54	7.74	-100.01
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)=C1	REAL300004092943	0	44	-2.0	-114.84	365.34	5.05	-109.79
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	REAL300004093255	0	44	-2.0	-113.52	365.46	5.29	-108.23
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)C=C1	REAL300004093305	1	46	-2.0	-115.92	389.12	10.68	-105.24
C[C@@H]1CN(C(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C[C@H]1CC(=O)[O-]	REAL300004093757	1	47	-2.0	-89.78	388.28	4.13	-85.65
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)O1	REAL300004093758	1	38	-2.0	-89.30	334.66	1.60	-87.70
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)=C1	REAL300004093989	0	48	-2.0	-116.72	400.51	3.27	-113.45
C[C@@H]1CN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C[C@H]1CC(=O)[O-]	REAL300004094035	0	41	-2.0	-111.88	344.01	4.39	-107.49
CC(C)C(=O)[N-]C1=NC(CC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)=CS1	REAL300004094409	1	45	-2.0	-112.12	379.66	5.97	-106.15
C[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C[C@H]1CC(=O)[O-]	REAL300004094644	0	41	-2.0	-103.04	351.31	4.41	-98.63
CC1=C(CC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004094649	1	47	-2.0	-115.97	390.38	6.20	-109.77
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1	REAL300004094653	0	47	-2.0	-114.19	386.95	6.07	-108.12
CC1=C(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004094724	1	47	-2.0	-111.82	377.17	5.82	-106.00
C[C@@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C[C@H]1CC(=O)[O-]	REAL300004095474	0	47	-2.0	-103.41	386.58	6.56	-96.85
C[C@@H]1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C[C@H]1CC(=O)[O-]	REAL300004095669	1	37	-2.0	-115.11	320.10	7.66	-107.45
C[C@@H]1CN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C[C@H]1CC(=O)[O-]	REAL300004095768	0	40	-2.0	-97.22	343.42	3.36	-93.86
C[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@H]1CC(=O)[O-]	REAL300004095799	1	39	-2.0	-112.72	330.61	4.99	-107.73
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3C[C@@H](C)[C@H](CC(=O)[O-])C3)=N2)=C1	REAL300004095853	0	50	-2.0	-127.40	402.09	9.16	-118.24
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](C)[C@H](CC(=O)[O-])C3)=N2)C=C1	REAL300004095854	0	50	-2.0	-126.61	402.08	9.16	-117.45
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)=N1	REAL300004095930	0	44	-2.0	-120.40	370.21	8.24	-112.16
C[C@@H]1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C[C@H]1CC(=O)[O-]	REAL300004095935	0	41	-2.0	-124.69	348.30	7.31	-117.38
C[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@H]1CC(=O)[O-]	REAL300004095959	1	39	-2.0	-115.51	322.23	8.40	-107.11
C[C@@H]1CN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C[C@H]1CC(=O)[O-]	REAL300004095979	0	41	-2.0	-87.83	362.89	4.74	-83.09
C[C@@H]1CN(C(=O)C2=CN=C(I)C([O-])=C2)C[C@H]1CC(=O)[O-]	REAL300004096028	0	33	-2.0	-104.04	302.45	4.48	-99.56
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3C[C@@H](C)[C@H](CC(=O)[O-])C3)=N2)=C1	REAL300004096091	0	44	-2.0	-131.69	366.64	7.89	-123.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)=N1	REAL300004096092	0	47	-2.0	-129.53	381.11	8.83	-120.70
CC1=C(CC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004096152	1	47	-2.0	-114.44	390.56	6.19	-108.25
C[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@H]1CC(=O)[O-]	REAL300004096195	0	34	-2.0	-93.78	303.30	5.92	-87.86
COC1=C(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300004096203	1	37	-2.0	-93.62	310.96	1.46	-92.16
CCOC1=CC(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300004096310	1	41	-2.0	-98.43	348.11	6.90	-91.53
C[C@@H]1CN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C[C@H]1CC(=O)[O-]	REAL300004096314	0	44	-2.0	-127.98	373.48	8.44	-119.54
COC1=CC=C(N2C=C([O-])C(C(=O)N3C[C@@H](C)[C@H](CC(=O)[O-])C3)=N2)C=C1	REAL300004096322	0	45	-2.0	-126.40	371.37	6.54	-119.86
C[N-]S(=O)(=O)C1=CC(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)=CO1	REAL300004096342	1	38	-2.0	-92.17	332.47	1.18	-90.99
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H]1CC(=O)[O-]	REAL300004096473	0	37	-2.0	-86.71	317.89	4.85	-81.86
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H]1CC(=O)[O-]	REAL300004096473	1	37	-2.0	-86.69	317.95	4.86	-81.83
COCC1=NC=C(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)C(=O)[N-]1	REAL300004096745	1	39	-2.0	-100.38	326.81	2.44	-97.94
C[C@@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@H]1CC(=O)[O-]	REAL300004096784	1	42	-2.0	-101.17	340.23	5.49	-95.68
C[C@@H]1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1CC(=O)[O-]	REAL300004097045	0	34	-2.0	-110.34	314.17	7.71	-102.63
CC1=C(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004097306	0	42	-2.0	-113.95	357.47	4.89	-109.06
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300004098867	1	39	-2.0	-88.48	359.64	1.18	-87.30
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300004099302	1	46	-2.0	-104.28	400.58	5.58	-98.70
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(OC)C=C1[O-]	REAL300004099914	1	39	-2.0	-108.60	334.06	6.15	-102.45
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300004100349	1	35	-2.0	-93.55	312.19	5.42	-88.13
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004100360	1	38	-2.0	-102.53	343.36	7.84	-94.69
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300004100394	0	35	-2.0	-90.16	309.63	3.47	-86.69
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300004100394	1	35	-2.0	-90.18	309.69	3.48	-86.70
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300004100463	0	41	-2.0	-94.28	368.26	3.51	-90.77
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004100488	1	40	-2.0	-93.66	345.64	4.98	-88.68
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=CC([O-])=C1	REAL300004100524	1	34	-2.0	-94.00	301.86	3.53	-90.47
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300004100603	0	45	-2.0	-109.27	388.68	7.61	-101.66
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004100636	0	40	-2.0	-113.12	347.16	7.45	-105.67
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300004100770	0	45	-2.0	-117.19	391.51	7.26	-109.93
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-]	REAL300004100771	0	48	-2.0	-114.80	401.28	8.38	-106.42
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004100879	0	35	-2.0	-89.39	329.03	5.96	-83.43
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300004100965	0	38	-2.0	-99.47	331.96	4.25	-95.22
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300004100965	1	38	-2.0	-99.48	332.01	4.26	-95.22
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004100996	0	35	-2.0	-90.13	321.99	5.90	-84.23
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1	REAL300004101000	1	42	-2.0	-92.92	373.87	6.93	-85.99
CCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300004101005	0	46	-2.0	-112.70	397.07	5.90	-106.80
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CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300004105800	1	39	-2.0	-144.13	327.95	8.26	-135.87
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CC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300004106131	0	37	-2.0	-111.52	312.76	5.37	-106.15
CC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300004106131	1	37	-2.0	-111.52	312.82	5.39	-106.13
CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300004106160	0	34	-2.0	-104.10	303.60	7.03	-97.07
CCOC1=CC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300004106163	1	41	-2.0	-108.65	354.66	8.07	-100.58
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C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)=CO1	REAL300004106184	1	38	-2.0	-109.65	339.57	2.32	-107.33
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300004106320	0	37	-2.0	-95.70	323.35	5.18	-90.52
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300004106320	1	37	-2.0	-95.69	323.42	5.19	-90.50
COCC1=NC=C(C(=O)NC(C)(C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300004106575	1	39	-2.0	-117.39	328.63	3.75	-113.64
CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)(C(=O)[O-])C1=CC=CC=C1	REAL300004106617	1	42	-2.0	-118.64	342.98	6.61	-112.03
CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300004106858	0	34	-2.0	-123.30	318.19	8.68	-114.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)O1	REAL300004108637	1	46	-2.0	-93.22	383.52	1.87	-91.35
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CCOC1=CC(C(=O)N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300004111029	1	49	-2.0	-102.49	399.40	7.30	-95.19
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CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300004115749	1	34	-2.0	-93.33	300.23	6.70	-86.63
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004115758	1	37	-2.0	-105.49	331.28	9.15	-96.34
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300004115843	0	40	-2.0	-95.16	356.14	4.82	-90.34
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004115868	1	39	-2.0	-92.00	334.38	6.34	-85.66
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300004115918	0	50	-2.0	-114.83	415.75	9.86	-104.97
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-]	REAL300004115919	0	50	-2.0	-113.92	415.68	9.86	-104.06
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300004115984	0	44	-2.0	-110.96	377.46	8.91	-102.05
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004115989	0	41	-2.0	-112.85	361.90	8.00	-104.85
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004116016	0	39	-2.0	-114.54	334.36	8.74	-105.80
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300004116152	0	44	-2.0	-118.65	380.24	8.59	-110.06
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CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004116263	0	34	-2.0	-90.73	316.96	7.28	-83.45
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300004116347	0	37	-2.0	-103.40	319.17	5.53	-97.87
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300004116347	1	37	-2.0	-103.43	319.23	5.54	-97.89
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004116376	0	34	-2.0	-90.54	310.02	7.19	-83.35
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2CC)=CC(Cl)=C1[O-]	REAL300004116379	1	41	-2.0	-94.36	361.73	8.26	-86.10
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300004116385	0	45	-2.0	-113.93	384.95	7.24	-106.69
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CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004116536	0	37	-2.0	-86.32	329.82	5.33	-80.99
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004116536	1	37	-2.0	-86.36	329.76	5.32	-81.04
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(COC)[N-]C1=O	REAL300004116791	1	39	-2.0	-91.32	336.50	3.95	-87.37
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004116833	1	42	-2.0	-92.31	350.38	6.73	-85.58
CCC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004117074	0	34	-2.0	-101.07	325.35	9.19	-91.88
CCN(C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C1=CC=CC(C(=O)[O-])=C1	REAL300004118612	1	46	-2.0	-139.46	400.39	12.43	-127.03
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CCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C1=CC=CC(C(=O)[O-])=C1	REAL300004118966	1	38	-2.0	-99.17	338.66	3.23	-95.94
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CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C(=O)[O-])=C1	REAL300004121138	1	37	-2.0	-100.68	324.15	6.55	-94.13
CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC(C(=O)[O-])=C1	REAL300004121167	0	34	-2.0	-105.87	297.57	7.22	-98.65
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CCN(C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C1=CC=CC(C(=O)[O-])=C1	REAL300004121176	0	45	-2.0	-140.85	374.80	8.19	-132.66
CCN(C(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C1=CC=CC(C(=O)[O-])=C1	REAL300004121191	1	38	-2.0	-116.56	333.24	2.78	-113.78
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(C(=O)[O-])=C1	REAL300004121327	0	37	-2.0	-98.11	319.58	6.88	-91.23
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(C(=O)[O-])=C1	REAL300004121327	1	37	-2.0	-98.07	319.65	6.89	-91.18
CCN(C(=O)C1=CN=C(COC)[N-]C1=O)C1=CC=CC(C(=O)[O-])=C1	REAL300004121582	1	39	-2.0	-107.65	323.96	3.42	-104.23
CCN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CC(C(=O)[O-])=C1	REAL300004121624	1	42	-2.0	-107.68	337.87	6.32	-101.36
CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC(C(=O)[O-])=C1	REAL300004121865	0	34	-2.0	-107.45	325.20	9.53	-97.92
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CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])N=C1	REAL300004123508	0	40	-2.0	-100.43	359.99	3.37	-97.06
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=CC=C(C(=O)[O-])N=C2)C=C1	REAL300004123559	1	42	-2.0	-105.23	381.98	8.28	-96.95
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])N=C2)O1	REAL300004124008	1	43	-2.0	-97.20	386.42	1.56	-95.64
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])N=C2)O1	REAL300004124009	1	34	-2.0	-96.89	330.97	-0.85	-97.74
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])N=C1	REAL300004124284	0	37	-2.0	-99.18	338.52	2.47	-96.71
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC=C(C(=O)[O-])N=C2)=CS1	REAL300004124655	1	41	-2.0	-100.33	372.71	3.57	-96.76
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=C(C(=O)[O-])N=C1	REAL300004124894	0	37	-2.0	-94.68	344.93	2.53	-92.15
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CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])N=C1	REAL300004124900	0	43	-2.0	-100.81	381.49	4.15	-96.66
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])N=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004124981	1	43	-2.0	-97.21	362.88	3.94	-93.27
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=CC=C(C(=O)[O-])N=C1	REAL300004125803	0	43	-2.0	-103.84	384.41	4.72	-99.12
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CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])N=C3)=N2)C=C1	REAL300004126207	0	46	-2.0	-109.52	399.10	6.53	-102.99
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])N=C2)=N1	REAL300004126293	0	40	-2.0	-106.70	366.64	5.63	-101.07
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CCOC1=CC(C(=O)NCC2=CC=C(C(=O)[O-])N=C2)=CC(Cl)=C1[O-]	REAL300004126725	1	37	-2.0	-97.09	345.18	4.92	-92.17
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C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=C(C(=O)[O-])N=C2)=CO1	REAL300004126759	1	34	-2.0	-97.42	330.10	-0.86	-98.28
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COCC1=NC=C(C(=O)NCC2=CC=C(C(=O)[O-])N=C2)C(=O)[N-]1	REAL300004127224	1	35	-2.0	-95.25	319.23	0.55	-94.70
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CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])N=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004127849	0	38	-2.0	-100.53	343.54	3.05	-97.48
CC1=CC=C(C2=NNC(=S)N2CC(=O)NC(C(=O)[O-])C2=CC=CN=C2)C=C1	REAL300004128951	0	42	-2.0	-115.69	378.92	8.65	-107.04
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(C(=O)[O-])C2=CC=CN=C2)C=C1	REAL300004128951	1	42	-2.0	-115.69	378.92	8.65	-107.04
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CN=C2)O1	REAL300004129316	1	43	-2.0	-101.74	382.06	2.03	-99.71
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CN=C2)O1	REAL300004129317	1	34	-2.0	-100.18	327.30	-0.42	-100.60
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C2=CC=CN=C2)=CS1	REAL300004129814	1	41	-2.0	-117.14	369.28	3.95	-113.19
CC1=C(CC(=O)NC(C(=O)[O-])C2=CC=CN=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004130009	1	43	-2.0	-128.28	378.99	4.15	-124.13
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CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=CN=C2)C=N1	REAL300004130956	0	36	-2.0	-106.80	335.54	1.91	-104.89
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CN=C3)=N2)=C1	REAL300004131028	0	46	-2.0	-135.89	395.50	6.96	-128.93
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CN=C3)=N2)C=C1	REAL300004131029	0	46	-2.0	-133.96	395.07	6.95	-127.01
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300004131086	0	40	-2.0	-130.10	363.22	6.00	-124.10
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CN=C1	REAL300004131091	0	37	-2.0	-130.90	341.65	5.11	-125.79
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CN=C1	REAL300004131114	1	35	-2.0	-136.68	315.05	5.93	-130.75
O=C([O-])C(NC(=O)C1=CN=C(I)C([O-])=C1)C1=CC=CN=C1	REAL300004131178	0	29	-2.0	-101.55	296.37	2.95	-98.60
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CN=C3)=N2)=C1	REAL300004131232	0	40	-2.0	-138.33	360.24	5.63	-132.70
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=N1	REAL300004131233	0	43	-2.0	-137.20	376.48	6.77	-130.43
CC1=C(CC(=O)NC(C(=O)[O-])C2=CC=CN=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004131282	1	43	-2.0	-126.82	379.41	4.08	-122.74
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COC1=C(C(=O)NC(C(=O)[O-])C2=CC=CN=C2)NC(=O)[N-]C1=O	REAL300004131331	1	33	-2.0	-101.60	303.06	-0.61	-102.21
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CN=C1	REAL300004131417	0	30	-2.0	-100.34	290.46	4.33	-96.01
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=CC(Cl)=C1[O-]	REAL300004131421	1	37	-2.0	-104.75	341.52	5.36	-99.39
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C3=CC=CN=C3)=N2)C=C1	REAL300004131429	0	41	-2.0	-133.62	364.36	4.33	-129.29
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=CN=C2)=CO1	REAL300004131442	1	34	-2.0	-103.91	326.68	-0.50	-104.41
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CN=C1	REAL300004131566	0	33	-2.0	-93.82	310.45	2.41	-91.41
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CN=C1	REAL300004131566	1	33	-2.0	-93.82	310.51	2.40	-91.42
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=CN=C2)C(=O)[N-]1	REAL300004131806	1	35	-2.0	-114.72	315.50	0.98	-113.74
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CN=C1	REAL300004131844	1	38	-2.0	-116.18	329.40	3.89	-112.29
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CN=C1	REAL300004132068	0	30	-2.0	-115.93	305.07	6.40	-109.53
CSC1=CC=C(NC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300004133140	1	42	-2.0	-124.01	374.07	5.69	-118.32
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(SC)C(C(=O)[O-])=C1	REAL300004133395	1	42	-2.0	-125.44	374.15	5.90	-119.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(SC)C(C(=O)[O-])=C2)O1	REAL300004133791	1	36	-2.0	-99.84	345.11	1.70	-98.14
CSC1=CC=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300004134021	0	39	-2.0	-123.64	352.70	5.01	-118.63
CSC1=CC=C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C=C1C(=O)[O-]	REAL300004134340	1	43	-2.0	-101.33	386.60	6.13	-95.20
CSC1=CC=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300004134545	0	39	-2.0	-115.49	359.09	5.08	-110.41
CSC1=CC=C(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C=C1C(=O)[O-]	REAL300004134634	1	45	-2.0	-100.98	376.08	6.54	-94.44
COC1=CC=C(C(=O)NC2=CC=C(SC)C(C(=O)[O-])=C2)C([O-])=C1	REAL300004135120	1	36	-2.0	-108.02	319.53	6.71	-101.31
CSC1=CC=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1C(=O)[O-]	REAL300004135675	1	32	-2.0	-107.45	298.49	5.94	-101.51
CSC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1C(=O)[O-]	REAL300004135688	1	35	-2.0	-128.61	328.84	8.39	-120.22
CSC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300004135729	0	32	-2.0	-106.49	295.94	4.01	-102.48
CSC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300004135729	1	32	-2.0	-106.49	296.00	4.03	-102.46
CSC1=CC=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300004135816	0	38	-2.0	-109.22	353.75	4.04	-105.18
CSC1=CC=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1C(=O)[O-]	REAL300004135851	1	37	-2.0	-98.79	331.47	5.45	-93.34
CSC1=CC=C(NC(=O)C2=CN=CC([O-])=C2)C=C1C(=O)[O-]	REAL300004135893	1	31	-2.0	-114.98	287.33	4.06	-110.92
CSC1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1C(=O)[O-]	REAL300004136007	0	39	-2.0	-135.70	359.47	7.22	-128.48
CSC1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1C(=O)[O-]	REAL300004136053	0	37	-2.0	-138.07	332.64	8.02	-130.05
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(SC)C(C(=O)[O-])=C2)=N1	REAL300004136220	0	45	-2.0	-139.87	394.17	8.90	-130.97
CSC1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300004136355	0	32	-2.0	-105.01	314.21	6.50	-98.51
CSC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300004136473	0	35	-2.0	-119.88	317.44	4.79	-115.09
CSC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300004136473	1	35	-2.0	-119.89	317.49	4.81	-115.08
CSC1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300004136513	0	32	-2.0	-105.08	308.29	6.43	-98.65
CCOC1=CC(C(=O)NC2=CC=C(SC)C(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300004136516	1	39	-2.0	-108.79	359.09	7.48	-101.31
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(SC)C(C(=O)[O-])=C3)=N2)C=C1	REAL300004136525	0	43	-2.0	-136.72	382.54	6.45	-130.27
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(SC)C(C(=O)[O-])=C2)=CO1	REAL300004136549	1	36	-2.0	-116.24	344.27	1.69	-114.55
CSC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1C(=O)[O-]	REAL300004136642	0	40	-2.0	-119.80	356.72	10.38	-109.42
CSC1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1C(=O)[O-]	REAL300004136642	1	40	-2.0	-119.82	356.67	10.40	-109.42
CSC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300004136717	0	35	-2.0	-97.58	328.11	4.59	-92.99
CSC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300004136717	1	35	-2.0	-97.55	328.04	4.58	-92.97
CSC1=CC=C(NC(=O)C2=C[N-]N=CC2=O)C=C1C(=O)[O-]	REAL300004137010	0	30	-2.0	-99.41	279.55	4.49	-94.92
COCC1=NC=C(C(=O)NC2=CC=C(SC)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300004137045	1	37	-2.0	-97.91	333.31	3.11	-94.80
CSC1=CC=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1C(=O)[O-]	REAL300004137095	1	40	-2.0	-98.92	347.22	5.99	-92.93
CSC1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1C(=O)[O-]	REAL300004137415	0	32	-2.0	-123.34	322.91	8.43	-114.91
O=C([O-])C1=CC=C2NC=C(C3CCN(C(=O)C4=CC=C([O-])C(F)=C4)CC3)C2=C1	REAL300004139917	1	45	-2.0	-101.64	377.01	8.54	-93.10
O=C([O-])C1=CC=C2NC=C(C3CCN(C(=O)CCC4=N[N-]N=N4)CC3)C2=C1	REAL300004139974	0	45	-2.0	-97.27	375.76	7.00	-90.27
O=C([O-])C1=CC=C2NC=C(C3CCN(C(=O)CCC4=NN=N[N-]4)CC3)C2=C1	REAL300004139974	1	45	-2.0	-97.30	375.82	7.02	-90.28
O=C([O-])C1=CC=C2NC=C(C3CCN(C(=O)C4=CN=CC([O-])=C4)CC3)C2=C1	REAL300004140031	1	44	-2.0	-100.47	367.50	6.73	-93.74
O=C([O-])C1=CC=C2NC=C(C3CCN(C(=O)CCCC4=N[N-]N=N4)CC3)C2=C1	REAL300004140286	0	48	-2.0	-103.95	397.25	7.78	-96.17
O=C([O-])C1=CC=C2NC=C(C3CCN(C(=O)CCCC4=NN=N[N-]4)CC3)C2=C1	REAL300004140286	1	48	-2.0	-103.99	397.31	7.80	-96.19
O=C([O-])C1=CC=C2NC=C(C3CCN(C(=O)C4=CC=C([O-])C(Cl)=C4)CC3)C2=C1	REAL300004140302	0	45	-2.0	-98.18	387.23	9.06	-89.12
O=C([O-])C1=CC=C2NC=C(C3CCN(C(=O)C4=C[N-]N=CC4=O)CC3)C2=C1	REAL300004140493	0	43	-2.0	-94.90	365.37	7.04	-87.86
CC1=NN(CC(=O)[O-])C(NC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)=C1	REAL300004142327	1	43	-2.0	-111.27	384.28	9.63	-101.64
CC1=NN(CC(=O)[O-])C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)=C1	REAL300004142688	1	44	-2.0	-98.71	387.73	2.94	-95.77
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C)=NN2CC(=O)[O-])O1	REAL300004142689	1	35	-2.0	-97.80	332.96	0.49	-97.31
CC1=NN(CC(=O)[O-])C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=C1	REAL300004143187	1	42	-2.0	-100.04	374.66	4.92	-95.12
CC1=NN(CC(=O)[O-])C(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)=C1	REAL300004143381	1	44	-2.0	-105.04	384.58	5.07	-99.97
COC1=CC=C(C(=O)NC2=CC(C)=NN2CC(=O)[O-])C([O-])=C1	REAL300004143824	1	35	-2.0	-109.64	307.28	5.49	-104.15
CC1=NN(CC(=O)[O-])C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300004144251	1	34	-2.0	-101.24	316.67	7.16	-94.08
CC1=NN(CC(=O)[O-])C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=C1	REAL300004144335	0	37	-2.0	-100.83	341.58	2.83	-98.00
CC1=NN(CC(=O)[O-])C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300004144356	1	36	-2.0	-106.77	319.17	4.31	-102.46
CC1=NN(CC(=O)[O-])C(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])=C1	REAL300004144407	0	47	-2.0	-117.69	401.17	7.87	-109.82
CC1=NN(CC(=O)[O-])C(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])=C1	REAL300004144408	0	47	-2.0	-115.42	401.11	7.87	-107.55
CC1=NN(CC(=O)[O-])C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])=C1	REAL300004144470	0	41	-2.0	-110.80	363.24	6.94	-103.86
CC1=NN(CC(=O)[O-])C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300004144475	0	38	-2.0	-112.09	347.33	6.02	-106.07
CC1=NN(CC(=O)[O-])C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300004144499	0	36	-2.0	-115.87	320.48	6.78	-109.09
CC1=NN(CC(=O)[O-])C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])=C1	REAL300004144623	0	41	-2.0	-119.10	365.67	6.60	-112.50
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C)=NN2CC(=O)[O-])=N1	REAL300004144624	0	44	-2.0	-116.68	375.20	7.74	-108.94
CC1=NN(CC(=O)[O-])C(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)=C1	REAL300004144674	1	44	-2.0	-103.33	384.76	5.06	-98.27
CC1=NN(CC(=O)[O-])C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300004144717	0	31	-2.0	-91.73	302.35	5.30	-86.43
CC1=NN(CC(=O)[O-])C(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300004144814	0	31	-2.0	-92.19	296.14	5.22	-86.97
CCOC1=CC(C(=O)NC2=CC(C)=NN2CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300004144817	1	38	-2.0	-96.75	347.19	6.27	-90.48
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C)=NN3CC(=O)[O-])=N2)C=C1	REAL300004144825	0	42	-2.0	-115.54	370.40	5.25	-110.29
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C)=NN2CC(=O)[O-])=CO1	REAL300004144839	1	35	-2.0	-94.64	332.01	0.49	-94.15
CC1=NN(CC(=O)[O-])C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300004144967	0	34	-2.0	-89.67	315.88	3.37	-86.30
CC1=NN(CC(=O)[O-])C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300004144967	1	34	-2.0	-89.61	315.95	3.38	-86.23
COCC1=NC=C(C(=O)NC2=CC(C)=NN2CC(=O)[O-])C(=O)[N-]1	REAL300004145213	1	36	-2.0	-104.85	321.26	1.91	-102.94
CC1=NN(CC(=O)[O-])C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300004145250	1	39	-2.0	-106.29	335.17	4.79	-101.50
CC1=NN(CC(=O)[O-])C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300004145476	0	31	-2.0	-98.74	310.74	7.19	-91.55
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCN(CC(=O)[O-])CC2)=C1	REAL300004146569	0	43	-2.0	-98.88	358.28	2.43	-96.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(CC(=O)[O-])CC1	REAL300004146880	0	43	-2.0	-100.83	357.03	2.61	-98.22
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCN(CC(=O)[O-])CC2)C=C1	REAL300004146930	1	45	-2.0	-119.79	372.55	7.53	-112.26
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCN(CC(=O)[O-])CC2)O1	REAL300004147384	1	46	-2.0	-96.09	378.01	1.39	-94.70
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCN(CC(=O)[O-])CC2)O1	REAL300004147385	1	37	-2.0	-95.22	323.25	-1.05	-96.27
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCN(CC(=O)[O-])CC2)=C1	REAL300004147615	0	47	-2.0	-106.41	392.32	0.61	-105.80
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(CC(=O)[O-])CC1	REAL300004147661	0	40	-2.0	-99.42	335.56	1.72	-97.70
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCN(CC(=O)[O-])CC2)=CS1	REAL300004148035	1	44	-2.0	-94.78	367.83	3.35	-91.43
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCN(CC(=O)[O-])CC1	REAL300004148272	0	40	-2.0	-93.08	343.31	1.83	-91.25
CC1=C(CC(=O)N2CCN(CC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004148275	1	46	-2.0	-101.33	377.80	3.53	-97.80
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCN(CC(=O)[O-])CC1	REAL300004148279	0	46	-2.0	-101.30	378.53	3.40	-97.90
CC1=C(C(=O)N2CCN(CC(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004148350	1	46	-2.0	-103.03	366.47	3.06	-99.97
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCN(CC(=O)[O-])CC1	REAL300004149109	0	46	-2.0	-104.17	381.54	3.98	-100.19
O=C([O-])CN1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300004149304	1	36	-2.0	-97.70	312.95	4.19	-93.51
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCN(CC(=O)[O-])CC2)C=N1	REAL300004149404	0	39	-2.0	-98.07	326.94	0.29	-97.78
O=C([O-])CN1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300004149434	1	38	-2.0	-101.32	318.77	2.29	-99.03
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCN(CC(=O)[O-])CC3)=N2)=C1	REAL300004149488	0	49	-2.0	-111.29	391.37	6.54	-104.75
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCN(CC(=O)[O-])CC3)=N2)C=C1	REAL300004149489	0	49	-2.0	-110.16	391.04	6.51	-103.65
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCN(CC(=O)[O-])CC2)=N1	REAL300004149566	0	43	-2.0	-107.81	363.21	5.08	-102.73
O=C([O-])CN1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300004149571	0	40	-2.0	-109.84	337.57	4.68	-105.16
O=C([O-])CN1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300004149595	1	38	-2.0	-116.72	305.47	5.25	-111.47
O=C([O-])CN1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CC1	REAL300004149615	0	40	-2.0	-92.27	348.19	1.66	-90.61
O=C([O-])CN1CCN(C(=O)C2=CN=C(I)C([O-])=C2)CC1	REAL300004149664	0	32	-2.0	-89.42	288.26	1.40	-88.02
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCN(CC(=O)[O-])CC3)=N2)=C1	REAL300004149727	0	43	-2.0	-114.47	355.60	5.24	-109.23
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCN(CC(=O)[O-])CC2)=N1	REAL300004149728	0	46	-2.0	-111.44	372.18	6.37	-105.07
O=C([O-])CN1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300004149831	0	33	-2.0	-89.04	295.02	3.36	-85.68
COC1=C(C(=O)N2CCN(CC(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300004149839	1	36	-2.0	-93.27	307.45	-2.67	-95.94
CCOC1=CC(C(=O)N2CCN(CC(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300004149946	1	40	-2.0	-93.61	339.86	4.32	-89.29
O=C([O-])CN1CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CC1	REAL300004149950	0	43	-2.0	-115.95	365.91	5.48	-110.47
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCN(CC(=O)[O-])CC3)=N2)C=C1	REAL300004149958	0	44	-2.0	-110.35	360.33	3.89	-106.46
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCN(CC(=O)[O-])CC2)=CO1	REAL300004149978	1	37	-2.0	-93.01	316.87	-1.88	-94.89
O=C([O-])CN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300004150108	0	36	-2.0	-86.12	306.07	2.28	-83.84
O=C([O-])CN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300004150108	1	36	-2.0	-86.09	306.13	2.28	-83.81
COCC1=NC=C(C(=O)N2CCN(CC(=O)[O-])CC2)C(=O)[N-]1	REAL300004150382	1	38	-2.0	-105.27	305.66	-0.70	-105.97
O=C([O-])CN1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300004150423	1	41	-2.0	-100.98	334.63	2.84	-98.14
O=C([O-])CN1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300004150682	0	33	-2.0	-95.88	305.27	4.71	-91.17
CC1=C(C(=O)N2CCN(CC(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004150945	0	41	-2.0	-121.31	343.01	1.69	-119.62
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(F)C(=O)[O-])C2)=C1	REAL300004153947	0	41	-2.0	-108.33	352.68	4.52	-103.81
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(F)C(=O)[O-])C1	REAL300004154258	0	41	-2.0	-96.59	352.34	4.77	-91.82
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C(F)C(=O)[O-])C2)C=C1	REAL300004154308	1	43	-2.0	-101.88	376.44	10.21	-91.67
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(F)C(=O)[O-])C2)O1	REAL300004154756	1	44	-2.0	-88.88	376.14	3.48	-85.40
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(F)C(=O)[O-])C2)O1	REAL300004154757	1	35	-2.0	-88.68	322.15	1.07	-87.61
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(F)C(=O)[O-])C1	REAL300004155030	0	38	-2.0	-96.07	331.77	3.90	-92.17
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(F)C(=O)[O-])C2)=CS1	REAL300004155401	1	42	-2.0	-95.50	366.07	5.49	-90.01
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C(F)C(=O)[O-])C1	REAL300004155638	0	38	-2.0	-100.49	337.67	3.92	-96.57
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(F)C(=O)[O-])C1	REAL300004155644	0	44	-2.0	-97.86	374.74	5.59	-92.27
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C(F)C(=O)[O-])C1	REAL300004156497	0	44	-2.0	-99.85	376.89	6.14	-93.71
O=C([O-])C(F)C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300004156691	1	34	-2.0	-110.31	307.12	6.86	-103.45
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(F)C(=O)[O-])C2)C=N1	REAL300004156790	0	37	-2.0	-92.28	326.84	2.91	-89.37
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C(F)C(=O)[O-])C3)=N2)=C1	REAL300004156875	0	47	-2.0	-108.97	390.02	8.61	-100.36
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(F)C(=O)[O-])C3)=N2)C=C1	REAL300004156876	0	47	-2.0	-121.20	389.48	8.55	-112.65
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(F)C(=O)[O-])C2)=N1	REAL300004156958	0	41	-2.0	-118.58	357.12	7.68	-110.90
O=C([O-])C(F)C1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300004156963	0	38	-2.0	-104.67	335.20	6.71	-97.96
O=C([O-])C(F)C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300004156989	1	36	-2.0	-106.75	307.40	7.86	-98.89
O=C([O-])C(F)C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300004157010	0	38	-2.0	-80.66	348.86	4.21	-76.45
O=C([O-])C(F)C1CCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300004157059	0	30	-2.0	-83.19	287.35	3.94	-79.25
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(F)C(=O)[O-])C3)=N2)=C1	REAL300004157124	0	41	-2.0	-111.73	354.65	7.33	-104.40
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(F)C(=O)[O-])C2)=N1	REAL300004157125	0	44	-2.0	-124.36	368.84	8.32	-116.04
O=C([O-])C(F)C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300004157234	0	31	-2.0	-92.42	287.54	5.31	-87.11
COC1=C(C(=O)N2CCC(C(F)C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300004157243	1	34	-2.0	-87.19	293.50	1.00	-86.19
O=C([O-])C(F)C1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300004157348	0	31	-2.0	-95.49	282.01	5.28	-90.21
CCOC1=CC(C(=O)N2CCC(C(F)C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300004157352	1	38	-2.0	-97.29	333.17	6.33	-90.96
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(F)C(=O)[O-])C3)=N2)C=C1	REAL300004157364	0	42	-2.0	-121.18	358.77	5.94	-115.24
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(F)C(=O)[O-])C2)=CO1	REAL300004157385	1	35	-2.0	-88.44	317.49	0.71	-87.73
O=C([O-])C(F)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300004157523	0	34	-2.0	-81.95	304.17	4.37	-77.58
O=C([O-])C(F)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300004157523	1	34	-2.0	-81.92	304.24	4.37	-77.55
COCC1=NC=C(C(=O)N2CCC(C(F)C(=O)[O-])C2)C(=O)[N-]1	REAL300004157806	1	36	-2.0	-95.26	318.38	2.05	-93.21
O=C([O-])C(F)C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300004158110	0	31	-2.0	-107.11	302.24	6.80	-100.31
CC1=C(C(=O)N2CCC(C(F)C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004158373	1	39	-2.0	-111.93	344.20	4.50	-107.43
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCCOC)O1	REAL300004159326	1	43	-2.0	-90.69	392.43	0.43	-90.26
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(OC)C=C1[O-]	REAL300004160086	1	43	-2.0	-113.71	366.85	5.41	-108.30
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300004160460	1	39	-2.0	-94.61	346.64	4.67	-89.94
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004160473	1	42	-2.0	-103.62	376.96	7.10	-96.52
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300004160517	0	39	-2.0	-91.56	343.26	2.74	-88.82
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300004160517	1	39	-2.0	-91.56	343.32	2.75	-88.81
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004160585	1	44	-2.0	-97.04	379.26	4.28	-92.76
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=CC([O-])=C1	REAL300004160607	1	38	-2.0	-95.21	335.48	2.79	-92.42
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004160698	0	44	-2.0	-115.02	380.78	6.72	-108.30
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004160918	0	39	-2.0	-90.61	362.65	5.23	-85.38
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300004160999	0	42	-2.0	-101.37	364.77	3.53	-97.84
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300004160999	1	42	-2.0	-101.35	364.82	3.54	-97.81
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004161027	0	39	-2.0	-91.34	356.44	5.16	-86.18
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C=C2OCCOC)=CO1	REAL300004161047	1	43	-2.0	-97.91	391.59	0.41	-97.50
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004161154	0	42	-2.0	-86.95	376.25	3.31	-83.64
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004161154	1	42	-2.0	-86.95	376.18	3.31	-83.64
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=C[N-]N=CC1=O	REAL300004161332	0	37	-2.0	-88.11	327.69	3.22	-84.89
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(COC)[N-]C1=O	REAL300004161353	1	44	-2.0	-96.10	381.38	1.89	-94.21
COCCOC1=CC(C(=O)[O-])=CC=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004161389	1	47	-2.0	-96.70	395.02	4.79	-91.91
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C(O)C2=CC=NC=C2)O1	REAL300004163068	1	38	-2.0	-92.96	348.54	-2.96	-95.92
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C(=O)[O-])C(O)C2=CC=NC=C2)=CS1	REAL300004163505	1	45	-2.0	-104.90	390.28	1.44	-103.46
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C(O)C1=CC=NC=C1	REAL300004164580	1	34	-2.0	-100.01	306.10	2.05	-97.96
O=C([O-])C(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(O)C1=CC=NC=C1	REAL300004164591	1	37	-2.0	-118.45	336.24	4.63	-113.82
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C(O)C1=CC=NC=C1	REAL300004164625	0	34	-2.0	-97.18	303.42	0.11	-97.07
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C(O)C1=CC=NC=C1	REAL300004164625	1	34	-2.0	-97.18	303.48	0.12	-97.06
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(C(=O)[O-])C(O)C2=CC=NC=C2)C=N1	REAL300004164694	0	40	-2.0	-100.40	358.39	-0.58	-100.98
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(O)C1=CC=NC=C1	REAL300004164719	1	39	-2.0	-108.09	337.82	1.53	-106.56
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C(O)C1=CC=NC=C1	REAL300004164755	1	33	-2.0	-104.26	294.94	0.16	-104.10
O=C([O-])C(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(O)C1=CC=NC=C1	REAL300004164840	0	41	-2.0	-123.43	364.89	2.64	-120.79
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(O)C1=CC=NC=C1	REAL300004164871	1	39	-2.0	-128.81	339.08	3.55	-125.26
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C(=O)[O-])C(O)C2=CC=NC=C2)=N1	REAL300004165010	0	47	-2.0	-129.35	399.74	4.30	-125.05
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(O)C1=CC=NC=C1	REAL300004165121	0	34	-2.0	-97.75	321.91	2.67	-95.08
COC1=C(C(=O)NC(C(=O)[O-])C(O)C2=CC=NC=C2)NC(=O)[N-]C1=O	REAL300004165133	1	37	-2.0	-96.04	327.93	-2.93	-98.97
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C(O)C1=CC=NC=C1	REAL300004165211	0	37	-2.0	-106.60	325.08	0.87	-105.73
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C(O)C1=CC=NC=C1	REAL300004165211	1	37	-2.0	-106.57	325.13	0.88	-105.69
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(O)C1=CC=NC=C1	REAL300004165243	0	34	-2.0	-97.88	315.89	2.54	-95.34
CCOC1=CC(C(=O)NC(C(=O)[O-])C(O)C2=CC=NC=C2)=CC(Cl)=C1[O-]	REAL300004165247	1	41	-2.0	-102.30	366.75	3.64	-98.66
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C(=O)[O-])C(O)C3=CC=NC=C3)=N2)C=C1	REAL300004165253	0	45	-2.0	-126.28	389.84	1.97	-124.31
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C(O)C2=CC=NC=C2)=CO1	REAL300004165269	1	38	-2.0	-98.92	350.66	-2.86	-101.78
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(O)C1=CC=NC=C1	REAL300004165410	0	37	-2.0	-88.13	334.48	0.04	-88.09
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(O)C1=CC=NC=C1	REAL300004165410	1	37	-2.0	-88.13	334.55	0.04	-88.09
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C(O)C1=CC=NC=C1	REAL300004165646	0	32	-2.0	-95.75	282.96	-0.19	-95.94
COCC1=NC=C(C(=O)NC(C(=O)[O-])C(O)C2=CC=NC=C2)C(=O)[N-]1	REAL300004165670	1	39	-2.0	-107.60	340.11	-0.83	-108.43
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(O)C1=CC=NC=C1	REAL300004165713	1	42	-2.0	-108.24	353.57	2.07	-106.17
O=C([O-])C(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(O)C1=CC=NC=C1	REAL300004165956	0	34	-2.0	-109.21	330.18	4.02	-105.19
CC1=C(CCC(=O)N2CCC[C@@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300004167308	1	48	-2.0	-112.96	383.57	6.92	-106.04
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300004167715	1	42	-2.0	-111.05	368.82	6.34	-104.71
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300004167775	1	40	-2.0	-138.68	349.53	9.73	-128.95
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300004167820	1	42	-2.0	-116.81	362.96	6.29	-110.52
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H]2C(=O)[O-])C=C1	REAL300004167822	1	45	-2.0	-105.58	383.02	7.14	-98.44
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300004167910	1	42	-2.0	-125.36	356.55	6.22	-119.14
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300004167911	1	42	-2.0	-118.63	363.13	6.38	-112.25
CC1=CC(C(=O)N2CCC[C@@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300004167920	0	38	-2.0	-101.50	343.76	4.48	-97.02
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N3CCC[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300004168014	1	45	-2.0	-106.69	384.53	7.06	-99.63
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300004168080	0	39	-2.0	-122.47	348.47	5.22	-117.25
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H]2C(=O)[O-])O1	REAL300004168097	1	41	-2.0	-100.57	347.34	3.39	-97.18
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H]2C(=O)[O-])O1	REAL300004168098	1	32	-2.0	-99.39	293.73	0.83	-98.56
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCC[C@@H]3C(=O)[O-])=C2)C=C1	REAL300004168190	1	45	-2.0	-119.12	383.79	6.96	-112.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCC[C@@H]3C(=O)[O-])=C2)=C1	REAL300004168215	1	45	-2.0	-121.00	383.84	6.96	-114.04
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300004168304	0	39	-2.0	-112.28	355.09	5.38	-106.90
O=C([O-])[C@H]1CCCN1C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300004168305	0	42	-2.0	-128.15	383.05	6.50	-121.65
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@@H]2C(=O)[O-])=CS1	REAL300004168519	1	39	-2.0	-126.41	339.91	5.04	-121.37
CC1=C(CC(=O)N2CCC[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004168664	1	41	-2.0	-137.74	350.77	5.25	-132.49
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300004168792	1	42	-2.0	-108.43	356.75	6.24	-102.19
O=C([O-])[C@H]1CCCN1C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300004169168	0	28	-2.0	-100.71	282.77	5.69	-95.02
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004169204	1	31	-2.0	-114.89	271.95	6.77	-108.12
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@@H]2C(=O)[O-])C=N1	REAL300004169260	0	34	-2.0	-110.18	303.43	2.47	-107.71
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300004169300	1	41	-2.0	-103.23	351.78	4.46	-98.77
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@@H]3C(=O)[O-])=N2)=C1	REAL300004169314	0	44	-2.0	-142.97	363.25	8.20	-134.77
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@H]3C(=O)[O-])=N2)C=C1	REAL300004169315	0	44	-2.0	-141.77	363.20	8.22	-133.55
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300004169351	0	38	-2.0	-138.71	328.63	7.31	-131.40
O=C([O-])[C@H]1CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004169354	0	35	-2.0	-139.54	308.07	6.70	-132.84
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300004169375	0	35	-2.0	-102.44	324.67	3.81	-98.63
O=C([O-])[C@H]1CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300004169401	0	27	-2.0	-110.24	262.95	3.37	-106.87
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@@H]3C(=O)[O-])=N2)=C1	REAL300004169423	0	38	-2.0	-146.96	327.79	6.93	-140.03
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@H]2C(=O)[O-])=N1	REAL300004169424	0	41	-2.0	-145.38	343.21	8.04	-137.34
CC1=C(CC(=O)N2CCC[C@@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004169437	1	41	-2.0	-135.89	348.63	5.33	-130.56
CCOC1=CC(C(=O)N2CCC[C@@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004169487	1	35	-2.0	-112.67	302.54	5.78	-106.89
O=C([O-])[C@H]1CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300004169490	0	38	-2.0	-142.23	337.70	7.21	-135.02
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@H]3C(=O)[O-])=N2)C=C1	REAL300004169493	0	39	-2.0	-141.11	331.14	5.93	-135.18
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@@H]2C(=O)[O-])=CO1	REAL300004169502	1	32	-2.0	-109.41	292.55	0.30	-109.11
O=C([O-])[C@H]1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004169835	0	28	-2.0	-112.06	265.65	6.80	-105.26
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=C1	REAL300004171586	0	41	-2.0	-125.40	365.83	5.06	-120.34
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC1=CC=C(C(=O)[O-])O1	REAL300004171901	0	41	-2.0	-126.83	365.91	5.29	-121.54
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N(C)CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300004171951	1	43	-2.0	-121.33	387.17	10.65	-110.68
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300004172394	1	44	-2.0	-100.31	387.03	4.17	-96.14
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])O2)O1	REAL300004172395	1	35	-2.0	-99.32	333.98	1.62	-97.70
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O	REAL300004172668	0	38	-2.0	-124.85	344.44	4.39	-120.46
CC(C)C(=O)[N-]C1=NC(CC(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=CS1	REAL300004173037	1	42	-2.0	-128.28	377.92	5.99	-122.29
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O	REAL300004173273	0	38	-2.0	-116.14	351.28	4.43	-111.71
CC1=C(CC(=O)N(C)CC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004173276	1	44	-2.0	-137.30	388.76	6.18	-131.12
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N(C)CC1=CC=C(C(=O)[O-])O1	REAL300004173279	0	44	-2.0	-127.84	387.40	6.08	-121.76
CC1=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004173359	1	44	-2.0	-130.70	376.41	5.71	-124.99
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004174390	1	34	-2.0	-132.20	320.54	7.11	-125.09
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300004174498	0	37	-2.0	-119.62	342.51	3.52	-116.10
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004174531	1	36	-2.0	-127.32	329.13	4.86	-122.46
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N(C)CC3=CC=C(C(=O)[O-])O3)=N2)=C1	REAL300004174589	0	47	-2.0	-136.14	401.34	9.19	-126.95
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)CC3=CC=C(C(=O)[O-])O3)=N2)C=C1	REAL300004174590	0	47	-2.0	-135.46	401.29	9.19	-126.27
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=N1	REAL300004174680	0	41	-2.0	-132.79	367.76	8.31	-124.48
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004174685	0	38	-2.0	-134.69	347.49	7.34	-127.35
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004174716	1	36	-2.0	-135.07	320.67	8.55	-126.52
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(C)CC3=CC=C(C(=O)[O-])O3)=N2)=C1	REAL300004174869	0	41	-2.0	-142.05	366.10	7.96	-134.09
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=N1	REAL300004174870	0	44	-2.0	-138.31	382.26	8.99	-129.32
CC1=C(CC(=O)N(C)CC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004174941	1	44	-2.0	-136.43	388.04	6.13	-130.30
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004174991	0	31	-2.0	-104.64	303.70	5.98	-98.66
COC1=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])O2)NC(=O)[N-]C1=O	REAL300004175002	1	34	-2.0	-105.67	317.76	-0.03	-105.70
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004175127	0	31	-2.0	-105.87	296.13	5.90	-99.97
CCOC1=CC(C(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=CC(Cl)=C1[O-]	REAL300004175130	1	38	-2.0	-109.56	348.34	6.95	-102.61
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)CC3=CC=C(C(=O)[O-])O3)=N2)C=C1	REAL300004175142	0	42	-2.0	-135.20	370.58	6.58	-128.62
C[N-]S(=O)(=O)C1=CC(C(=O)N(C)CC2=CC=C(C(=O)[O-])O2)=CO1	REAL300004175165	1	35	-2.0	-102.39	330.19	1.23	-101.16
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004175322	0	34	-2.0	-97.24	316.17	5.06	-92.18
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004175322	1	34	-2.0	-97.19	316.23	5.08	-92.11
COCC1=NC=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])O2)C(=O)[N-]1	REAL300004175641	1	36	-2.0	-125.32	330.96	2.51	-122.81
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004175685	1	39	-2.0	-127.55	344.88	5.41	-122.14
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004175983	0	31	-2.0	-113.99	314.19	7.21	-106.78
CC1=C(C(=O)N(C)CC2=CC=C(C(=O)[O-])O2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004176283	0	39	-2.0	-133.18	356.58	4.80	-128.38
CC1=C(CCC(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(=O)NC(N2CCOCC2)=N1	REAL300004176740	0	48	-2.0	-123.62	386.96	6.16	-117.46
CC1=C(CCC(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300004176740	1	48	-2.0	-123.62	386.96	6.16	-117.46
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300004177054	0	38	-2.0	-106.07	328.82	3.92	-102.15
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300004177301	1	42	-2.0	-95.58	374.60	6.19	-89.39
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300004177344	0	38	-2.0	-120.96	329.24	4.21	-116.75
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300004177382	1	40	-2.0	-116.24	351.96	8.81	-107.43
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300004177432	1	42	-2.0	-99.63	374.29	6.13	-93.50
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=C1	REAL300004177434	1	45	-2.0	-96.40	388.10	6.88	-89.52
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300004177549	1	42	-2.0	-106.79	367.89	6.06	-100.73
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300004177550	1	42	-2.0	-104.82	368.16	6.13	-98.69
CC1=CC(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300004177561	0	38	-2.0	-89.66	349.33	4.23	-85.43
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300004177681	1	45	-2.0	-96.46	389.47	6.74	-89.72
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300004177763	0	39	-2.0	-105.30	359.95	5.13	-100.17
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])O1	REAL300004177780	1	41	-2.0	-105.37	353.83	2.53	-102.84
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])O1	REAL300004177781	1	32	-2.0	-104.24	300.21	-0.00	-104.24
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])=C2)C=C1	REAL300004177890	1	45	-2.0	-102.65	389.58	6.80	-95.85
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])=C2)=C1	REAL300004177927	1	45	-2.0	-103.05	389.60	6.79	-96.26
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])=C1	REAL300004177998	0	42	-2.0	-127.16	364.00	2.19	-124.97
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300004178046	0	35	-2.0	-119.12	307.73	3.32	-115.80
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300004178055	0	39	-2.0	-102.87	360.10	5.13	-97.74
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300004178056	0	42	-2.0	-101.87	384.67	5.75	-96.12
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CS1	REAL300004178358	1	39	-2.0	-111.03	341.94	4.40	-106.63
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300004178531	0	35	-2.0	-112.94	314.12	3.40	-109.54
CC1=C(CC(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004178540	1	41	-2.0	-115.83	351.82	4.57	-111.26
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300004178545	0	41	-2.0	-121.64	350.70	5.00	-116.64
CC1=C(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300004178595	1	41	-2.0	-117.43	331.62	4.90	-112.53
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300004178701	1	42	-2.0	-95.73	368.06	6.06	-89.67
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@H]1CC[C@H]1C(=O)[O-]	REAL300004179117	0	41	-2.0	-125.72	353.59	5.59	-120.13
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300004179198	0	28	-2.0	-90.86	288.57	5.19	-85.67
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004179251	1	31	-2.0	-103.20	283.49	6.63	-96.57
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])C=N1	REAL300004179327	0	34	-2.0	-103.76	308.39	2.21	-101.55
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300004179380	1	41	-2.0	-91.50	363.11	4.30	-87.20
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])=N2)=C1	REAL300004179395	0	44	-2.0	-140.32	368.36	7.41	-132.91
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])=N2)C=C1	REAL300004179396	0	44	-2.0	-123.77	368.01	7.32	-116.45
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])=N1	REAL300004179450	0	38	-2.0	-118.75	335.49	6.38	-112.37
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004179453	0	35	-2.0	-135.43	314.51	5.56	-129.87
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300004179481	0	35	-2.0	-87.94	329.71	3.57	-84.37
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CN=C(I)C([O-])=C1	REAL300004179512	0	27	-2.0	-105.36	269.22	3.37	-101.99
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])=N2)=C1	REAL300004179548	0	38	-2.0	-127.76	332.57	6.05	-121.71
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])=N1	REAL300004179549	0	41	-2.0	-125.09	341.45	7.26	-117.83
CC1=C(CC(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004179572	1	41	-2.0	-113.45	352.01	4.57	-108.88
CCOC1=CC(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004179641	1	35	-2.0	-107.49	314.39	5.78	-101.71
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300004179645	0	38	-2.0	-131.29	337.72	6.84	-124.45
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])=N2)C=C1	REAL300004179651	0	39	-2.0	-123.41	337.30	4.70	-118.71
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])=CO1	REAL300004179666	1	32	-2.0	-93.71	299.71	-0.34	-94.05
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004180106	0	28	-2.0	-102.71	277.66	6.74	-95.97
CC1=C(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004180276	0	36	-2.0	-119.98	311.87	3.79	-116.19
CCCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)NC1=O)C(=O)[O-]	REAL300004180595	0	50	-2.0	-105.72	404.76	6.16	-99.56
CCCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300004180595	1	50	-2.0	-105.72	404.76	6.16	-99.56
CCCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004180914	0	40	-2.0	-115.79	346.92	3.99	-111.80
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300004181165	1	44	-2.0	-107.56	392.46	6.30	-101.26
CCCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300004181206	0	40	-2.0	-116.79	347.00	4.20	-112.59
CCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300004181244	1	42	-2.0	-127.03	368.15	9.16	-117.87
CCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300004181294	1	44	-2.0	-99.79	391.65	6.32	-93.47
CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300004181296	1	47	-2.0	-99.83	406.16	6.95	-92.88
CCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300004181411	1	44	-2.0	-106.32	385.26	6.25	-100.07
CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300004181412	1	44	-2.0	-111.72	386.02	6.26	-105.46
CCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300004181424	0	40	-2.0	-91.20	367.52	4.39	-86.81
CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300004181550	1	47	-2.0	-100.40	406.82	6.91	-93.49
CCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300004181634	0	41	-2.0	-108.01	378.01	5.22	-102.79
CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300004181651	1	43	-2.0	-96.82	371.90	2.49	-94.33
CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300004181652	1	34	-2.0	-95.88	317.98	0.00	-95.88
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300004181764	1	47	-2.0	-114.69	407.67	6.85	-107.84
CCCC(NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300004181803	1	47	-2.0	-115.45	407.68	6.85	-108.60
CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004181875	0	44	-2.0	-120.71	381.33	2.21	-118.50
CCCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004181923	0	37	-2.0	-115.04	325.53	3.31	-111.73
CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300004181931	0	41	-2.0	-110.00	377.96	5.28	-104.72
CCCC(NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300004181932	0	44	-2.0	-114.40	402.85	5.87	-108.53
CCCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300004182246	1	41	-2.0	-110.79	359.72	4.41	-106.38
CCCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004182420	0	37	-2.0	-107.50	331.94	3.36	-104.14
CCCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300004182429	1	43	-2.0	-114.97	369.75	4.65	-110.32
CCCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300004182434	0	43	-2.0	-117.38	368.50	4.99	-112.39
CCCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300004182485	1	43	-2.0	-110.86	349.45	4.87	-105.99
CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300004182592	1	44	-2.0	-99.72	385.42	6.23	-93.49
CCCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004183016	0	43	-2.0	-120.00	371.18	5.63	-114.37
CCCC(NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300004183099	0	30	-2.0	-93.90	305.92	5.52	-88.38
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004183153	1	33	-2.0	-117.38	301.68	6.77	-110.61
CCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300004183229	0	36	-2.0	-103.03	325.75	2.39	-100.64
CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300004183283	1	43	-2.0	-95.81	380.46	4.45	-91.36
CCCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300004183298	0	46	-2.0	-132.05	385.94	7.45	-124.60
CCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300004183299	0	46	-2.0	-130.37	386.11	7.37	-123.00
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300004183353	0	40	-2.0	-126.91	352.81	6.52	-120.39
CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300004183356	0	37	-2.0	-127.86	332.09	5.59	-122.27
CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300004183384	0	37	-2.0	-95.81	347.81	3.62	-92.19
CCCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300004183415	0	29	-2.0	-98.98	286.21	3.40	-95.58
CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300004183453	0	40	-2.0	-135.15	349.84	6.15	-129.00
CCCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300004183454	0	43	-2.0	-133.75	367.18	7.17	-126.58
CCCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300004183478	1	43	-2.0	-113.44	369.85	4.55	-108.89
CCCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300004183551	1	37	-2.0	-101.50	332.19	5.79	-95.71
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004183555	0	40	-2.0	-135.97	355.82	6.90	-129.07
CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300004183561	0	41	-2.0	-130.06	355.40	4.75	-125.31
CCCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300004183576	1	34	-2.0	-102.31	316.28	0.02	-102.29
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300004184038	0	30	-2.0	-113.33	294.90	6.86	-106.47
CCCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300004184215	0	38	-2.0	-113.60	329.68	3.94	-109.66
CC1=C(CCC(=O)N[C@@H](C(=O)[O-])C(C)C)C(=O)NC(N2CCOCC2)=N1	REAL300004184525	0	50	-2.0	-105.93	394.69	5.81	-100.12
CC1=C(CCC(=O)N[C@@H](C(=O)[O-])C(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300004184525	1	50	-2.0	-105.93	394.69	5.81	-100.12
CC(C)[C@@H](NC(=O)C1=CC=CC(S(=O)(=O)NC2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300004184943	0	44	-2.0	-107.81	386.33	6.07	-101.74
CC(C)[C@@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300004184943	1	44	-2.0	-107.81	386.33	6.07	-101.74
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300004185001	1	42	-2.0	-113.06	359.27	8.77	-104.29
CC(C)[C@@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300004185046	1	44	-2.0	-100.46	382.43	5.92	-94.54
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C1	REAL300004185048	1	47	-2.0	-100.04	396.12	6.61	-93.43
CC(C)[C@@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300004185137	1	44	-2.0	-106.68	379.70	6.05	-100.63
CC(C)[C@@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300004185138	1	44	-2.0	-112.64	381.80	6.01	-106.63
CC1=CC(C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300004185148	0	40	-2.0	-91.44	357.46	4.03	-87.41
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@@H](C(=O)[O-])C(C)C)C=C2)C=C1	REAL300004185248	1	47	-2.0	-100.97	398.30	6.45	-94.52
CC(C)[C@@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300004185315	0	41	-2.0	-105.55	368.60	4.78	-100.77
CC(C)[C@@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300004185332	1	43	-2.0	-97.79	368.29	2.26	-95.53
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](C(=O)[O-])C(C)C)O1	REAL300004185333	1	34	-2.0	-96.04	308.59	-0.41	-96.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@@H](C(=O)[O-])C(C)C)=C2)C=C1	REAL300004185427	1	47	-2.0	-114.89	401.31	6.68	-108.21
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@@H](C(=O)[O-])C(C)C)=C2)=C1	REAL300004185454	1	47	-2.0	-115.72	397.62	6.51	-109.21
CC(C)[C@@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300004185542	0	41	-2.0	-110.97	373.74	5.00	-105.97
CC(C)[C@@H](NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300004185543	0	44	-2.0	-118.67	396.48	5.70	-112.97
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H](C(=O)[O-])C(C)C)=CS1	REAL300004185765	1	41	-2.0	-116.14	349.66	4.05	-112.09
CC1=C(CC(=O)N[C@@H](C(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004185911	1	43	-2.0	-127.43	359.59	4.20	-123.23
CC(C)[C@@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300004186040	1	44	-2.0	-99.81	376.21	5.84	-93.97
CC(C)[C@@H](NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300004186425	0	30	-2.0	-94.36	295.86	5.16	-89.20
CC(C)[C@@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004186462	1	33	-2.0	-118.48	292.28	6.34	-112.14
CC(C)[C@@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300004186518	0	36	-2.0	-104.11	322.12	2.16	-101.95
CC(C)[C@@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300004186559	1	43	-2.0	-96.50	376.84	4.23	-92.27
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])C(C)C)=N2)=C1	REAL300004186573	0	46	-2.0	-133.03	376.12	7.01	-126.02
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])C(C)C)=N2)C=C1	REAL300004186574	0	46	-2.0	-130.97	379.73	7.23	-123.74
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300004186610	0	40	-2.0	-127.29	338.18	6.09	-121.20
CC(C)[C@@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300004186613	0	37	-2.0	-128.83	322.27	5.17	-123.66
CC(C)[C@@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300004186634	0	37	-2.0	-96.65	338.42	3.21	-93.44
CC(C)[C@@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300004186660	0	29	-2.0	-99.91	282.58	3.15	-96.76
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])C(C)C)=N2)=C1	REAL300004186684	0	40	-2.0	-136.04	346.21	5.91	-130.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1	REAL300004186685	0	43	-2.0	-133.99	355.74	7.05	-126.94
CC1=C(CC(=O)N[C@@H](C(=O)[O-])C(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004186699	1	43	-2.0	-126.30	365.36	4.35	-121.95
CCOC1=CC(C(=O)N[C@@H](C(=O)[O-])C(C)C)=CC(Cl)=C1[O-]	REAL300004186752	1	37	-2.0	-101.93	322.13	5.43	-96.50
CC(C)[C@@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004186755	0	40	-2.0	-136.42	349.44	6.73	-129.69
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])C(C)C)=N2)C=C1	REAL300004186758	0	41	-2.0	-130.69	349.02	4.60	-126.09
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](C(=O)[O-])C(C)C)=CO1	REAL300004186767	1	34	-2.0	-102.45	307.06	-0.38	-102.83
CC(C)[C@@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300004187116	0	30	-2.0	-113.71	289.36	6.65	-107.06
CC1=C(CCC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300004187990	1	52	-2.0	-127.39	405.06	8.58	-118.81
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=C1	REAL300004188544	1	44	-2.0	-140.83	369.14	11.60	-129.23
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])O1	REAL300004188902	1	45	-2.0	-103.26	368.43	5.09	-98.17
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])O1	REAL300004188903	1	36	-2.0	-102.18	314.55	2.54	-99.64
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=CS1	REAL300004189401	1	43	-2.0	-132.64	360.00	6.91	-125.73
CC1=C(CC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004189593	1	45	-2.0	-138.27	369.93	7.12	-131.15
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004190344	1	35	-2.0	-142.36	302.02	8.33	-134.03
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C=N1	REAL300004190419	0	38	-2.0	-113.29	323.54	4.32	-108.97
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004190437	1	37	-2.0	-118.40	304.89	5.96	-112.44
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])=N2)=C1	REAL300004190486	0	48	-2.0	-151.31	382.94	10.10	-141.21
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])=N2)C=C1	REAL300004190487	0	48	-2.0	-150.61	382.93	10.10	-140.51
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300004190538	0	42	-2.0	-147.70	348.78	9.18	-138.52
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004190542	0	39	-2.0	-147.84	329.15	8.25	-139.59
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004190560	1	37	-2.0	-154.31	304.55	8.98	-145.33
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300004190577	0	39	-2.0	-114.33	346.32	5.69	-108.64
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=CN=C(I)C([O-])=C1	REAL300004190617	0	31	-2.0	-117.22	284.76	5.32	-111.90
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])=N2)=C1	REAL300004190664	0	42	-2.0	-156.18	347.42	8.84	-147.34
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=N1	REAL300004190665	0	45	-2.0	-154.42	363.78	9.86	-144.56
CC1=C(CC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004190705	1	45	-2.0	-136.55	370.11	7.11	-129.44
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004190737	0	32	-2.0	-109.45	285.12	6.83	-102.62
COC1=C(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])NC(=O)[N-]C1=O	REAL300004190743	1	35	-2.0	-108.43	299.50	0.87	-107.56
CCOC1=CC(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004190818	1	39	-2.0	-114.78	329.12	7.83	-106.95
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300004190821	0	42	-2.0	-153.76	342.70	9.05	-144.71
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])=N2)C=C1	REAL300004190826	0	43	-2.0	-150.21	352.22	7.49	-142.72
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])=CO1	REAL300004190837	1	36	-2.0	-119.63	312.85	2.22	-117.41
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004190938	0	35	-2.0	-99.87	297.76	5.84	-94.03
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004190938	1	35	-2.0	-99.91	297.83	5.85	-94.06
COCC1=NC=C(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])C(=O)[N-]1	REAL300004191143	1	37	-2.0	-117.86	306.74	3.61	-114.25
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004191174	1	40	-2.0	-119.86	322.41	6.37	-113.49
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004191365	0	32	-2.0	-136.48	295.04	8.46	-128.02
CC1=C(CCC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300004191994	1	54	-2.0	-103.63	413.99	7.88	-95.75
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)C=C1	REAL300004192544	1	46	-2.0	-113.02	378.90	10.77	-102.25
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1	REAL300004192905	1	47	-2.0	-92.99	379.79	4.16	-88.83
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)O1	REAL300004192906	1	38	-2.0	-92.32	324.98	1.68	-90.64
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)=CS1	REAL300004193405	1	45	-2.0	-97.98	369.74	6.10	-91.88
CC1=C(CC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004193597	1	47	-2.0	-102.84	379.56	6.30	-96.54
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004194371	1	37	-2.0	-104.28	309.67	7.64	-96.64
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300004194447	0	40	-2.0	-95.81	335.64	3.60	-92.21
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004194465	1	39	-2.0	-95.57	315.09	5.00	-90.57
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C)=N2)=C1	REAL300004194513	0	50	-2.0	-114.10	392.85	9.26	-104.84
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C)=N2)C=C1	REAL300004194514	0	50	-2.0	-112.19	392.42	9.27	-102.92
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)=N1	REAL300004194566	0	44	-2.0	-108.69	359.13	8.33	-100.36
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004194571	0	41	-2.0	-112.18	339.05	7.40	-104.78
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004194589	1	39	-2.0	-113.16	314.06	7.89	-105.27
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300004194607	0	41	-2.0	-88.47	355.18	4.91	-83.56
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300004194647	0	33	-2.0	-91.80	296.07	4.60	-87.20
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C)=N2)=C1	REAL300004194695	0	44	-2.0	-116.40	356.98	8.00	-108.40
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)=N1	REAL300004194696	0	47	-2.0	-114.72	373.66	9.06	-105.66
CC1=C(CC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004194738	1	47	-2.0	-100.32	379.84	6.27	-94.05
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004194773	0	34	-2.0	-90.48	296.10	6.12	-84.36
COC1=C(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)NC(=O)[N-]C1=O	REAL300004194779	1	37	-2.0	-92.42	308.71	0.04	-92.38
CCOC1=CC(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)=CC(Cl)=C1[O-]	REAL300004194857	1	41	-2.0	-94.78	341.27	7.10	-87.68
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300004194860	0	44	-2.0	-117.92	351.31	8.17	-109.75
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C)=N2)C=C1	REAL300004194865	0	45	-2.0	-112.18	361.71	6.65	-105.53
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)=CO1	REAL300004194876	1	38	-2.0	-96.23	323.26	1.45	-94.78
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004194982	0	37	-2.0	-85.74	307.42	5.02	-80.72
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004194982	1	37	-2.0	-85.71	307.48	5.02	-80.69
COCC1=NC=C(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)C(=O)[N-]1	REAL300004195193	1	39	-2.0	-94.66	318.36	2.55	-92.11
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004195227	1	42	-2.0	-95.14	330.95	5.55	-89.59
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004195422	0	34	-2.0	-99.35	304.41	7.62	-91.73
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2C2CCCO2)O1	REAL300004196675	1	46	-2.0	-94.91	380.76	1.88	-93.03
O=C([O-])C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C(C2CCCO2)C1	REAL300004197990	1	42	-2.0	-98.70	334.74	5.97	-92.73
O=C([O-])C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(C2CCCO2)C1	REAL300004198002	1	45	-2.0	-110.82	369.30	7.26	-103.56
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C(C2CCCO2)C1	REAL300004198041	0	42	-2.0	-91.14	333.88	4.19	-86.95
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C(C2CCCO2)C1	REAL300004198041	1	42	-2.0	-91.10	333.94	4.21	-86.89
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])CC2C2CCCO2)C=N1	REAL300004198097	0	48	-2.0	-96.92	387.47	3.81	-93.11
O=C([O-])C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C(C2CCCO2)C1	REAL300004198118	1	47	-2.0	-101.89	371.36	5.14	-96.75
O=C([O-])C1CCN(C(=O)C2=CN=CC([O-])=C2)C(C2CCCO2)C1	REAL300004198144	1	41	-2.0	-97.28	320.98	3.82	-93.46
O=C([O-])C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(C2CCCO2)C1	REAL300004198248	1	47	-2.0	-115.26	365.65	8.14	-107.12
O=C([O-])C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(C2CCCO2)C1	REAL300004198478	0	42	-2.0	-92.51	348.78	6.37	-86.14
COC1=C(C(=O)N2CCC(C(=O)[O-])CC2C2CCCO2)NC(=O)[N-]C1=O	REAL300004198491	1	45	-2.0	-95.74	364.60	0.24	-95.50
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)C(C2CCCO2)C1	REAL300004198562	0	45	-2.0	-96.58	355.38	4.98	-91.60
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)C(C2CCCO2)C1	REAL300004198562	1	45	-2.0	-96.59	355.44	4.99	-91.60
O=C([O-])C1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C(C2CCCO2)C1	REAL300004198591	0	42	-2.0	-95.18	344.53	6.45	-88.73
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])CC2C2CCCO2)=CC(Cl)=C1[O-]	REAL300004198594	1	49	-2.0	-95.19	381.81	8.00	-87.19
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])CC2C2CCCO2)=CO1	REAL300004198615	1	46	-2.0	-97.42	374.40	1.57	-95.85
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C2CCCO2)C1	REAL300004198740	0	45	-2.0	-89.25	358.78	5.27	-83.98
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C2CCCO2)C1	REAL300004198740	1	45	-2.0	-89.29	358.85	5.28	-84.01
O=C([O-])C1CCN(C(=O)C2=C[N-]N=CC2=O)C(C2CCCO2)C1	REAL300004198943	0	40	-2.0	-98.57	324.42	4.32	-94.25
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])CC2C2CCCO2)C(=O)[N-]1	REAL300004198965	1	47	-2.0	-99.65	376.49	2.98	-96.67
O=C([O-])C1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(C2CCCO2)C1	REAL300004199003	1	50	-2.0	-110.98	392.35	5.78	-105.20
O=C([O-])C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(C2CCCO2)C1	REAL300004199219	0	42	-2.0	-104.43	359.49	8.04	-96.39
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C(=O)[O-])C2CCCCCC2)=C1	REAL300004200254	0	53	-2.0	-107.85	415.26	6.27	-101.58
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1CCCCCC1	REAL300004200502	0	53	-2.0	-107.13	409.72	6.64	-100.49
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C(=O)[O-])C2CCCCCC2)O1	REAL300004200886	1	47	-2.0	-99.38	381.69	2.45	-96.93
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C(=O)[O-])C1CCCCCC1	REAL300004201102	0	50	-2.0	-106.74	393.56	5.57	-101.17
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C(=O)[O-])C2CCCCCC2)=CS1	REAL300004201414	1	54	-2.0	-105.07	427.71	6.70	-98.37
CC1=C(C(=O)NCC(C(=O)[O-])C2CCCCCC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004201698	1	56	-2.0	-117.38	417.91	7.05	-110.33
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(F)=C1)C1CCCCCC1	REAL300004202724	1	43	-2.0	-99.08	339.68	6.52	-92.56
O=C([O-])C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCCCC1	REAL300004202737	1	46	-2.0	-105.95	364.40	9.22	-96.73
O=C(CCC1=N[N-]N=N1)NCC(C(=O)[O-])C1CCCCCC1	REAL300004202779	0	43	-2.0	-93.70	336.78	4.59	-89.11
O=C(CCC1=NN=N[N-]1)NCC(C(=O)[O-])C1CCCCCC1	REAL300004202779	1	43	-2.0	-93.70	336.84	4.61	-89.09
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC(C(=O)[O-])C2CCCCCC2)C=N1	REAL300004202862	0	49	-2.0	-103.59	389.31	4.77	-98.82
O=C([O-])C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCCCC1	REAL300004202897	1	48	-2.0	-114.93	372.42	6.00	-108.93
O=C([O-])C(CNC(=O)C1=CN=CC([O-])=C1)C1CCCCCC1	REAL300004202939	1	42	-2.0	-97.74	328.21	4.62	-93.12
O=C([O-])C(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCCCC1	REAL300004203052	0	50	-2.0	-119.99	401.21	7.85	-112.14
O=C([O-])C(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCCCC1	REAL300004203098	1	48	-2.0	-124.42	373.51	8.67	-115.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C(=O)[O-])C2CCCCCC2)=N1	REAL300004203257	0	56	-2.0	-125.32	428.88	9.61	-115.71
O=C([O-])C(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCCCC1	REAL300004203389	0	43	-2.0	-94.75	355.43	7.10	-87.65
COC1=C(C(=O)NCC(C(=O)[O-])C2CCCCCC2)NC(=O)[N-]C1=O	REAL300004203407	1	46	-2.0	-96.88	361.52	2.13	-94.75
O=C(CCCC1=N[N-]N=N1)NCC(C(=O)[O-])C1CCCCCC1	REAL300004203506	0	46	-2.0	-95.09	353.00	5.52	-89.57
O=C(CCCC1=NN=N[N-]1)NCC(C(=O)[O-])C1CCCCCC1	REAL300004203506	1	46	-2.0	-95.10	353.06	5.53	-89.57
O=C([O-])C(CNC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCCCCC1	REAL300004203544	0	43	-2.0	-96.17	349.48	7.01	-89.16
CCOC1=CC(C(=O)NCC(C(=O)[O-])C2CCCCCC2)=CC(Cl)=C1[O-]	REAL300004203547	1	50	-2.0	-100.75	400.27	8.07	-92.68
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C(=O)[O-])C2CCCCCC2)=CO1	REAL300004203579	1	47	-2.0	-92.40	379.49	2.34	-90.06
O=C([O-])C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCCC1	REAL300004203745	0	46	-2.0	-90.14	363.61	5.30	-84.84
O=C([O-])C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCCC1	REAL300004203745	1	46	-2.0	-90.08	363.67	5.31	-84.77
O=C([O-])C(CNC(=O)C1=C[N-]N=CC1=O)C1CCCCCC1	REAL300004204033	0	41	-2.0	-102.68	321.28	5.11	-97.57
COCC1=NC=C(C(=O)NCC(C(=O)[O-])C2CCCCCC2)C(=O)[N-]1	REAL300004204068	1	48	-2.0	-111.76	369.98	3.83	-107.93
O=C([O-])C(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCCCCC1	REAL300004204117	1	51	-2.0	-115.30	388.17	6.56	-108.74
O=C([O-])C(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCCCC1	REAL300004204437	0	43	-2.0	-103.03	357.32	9.25	-93.78
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)(CC(C)C)C(=O)[O-])=C1	REAL300004205657	0	49	-2.0	-104.39	391.27	5.24	-99.15
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)(CC(C)C)C(=O)[O-]	REAL300004205966	0	49	-2.0	-104.44	389.90	5.71	-98.73
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(C)(CC(C)C)C(=O)[O-])C=C1	REAL300004206013	1	51	-2.0	-102.21	412.94	10.35	-91.86
CC(C)CC(C)(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300004206449	1	52	-2.0	-99.16	414.49	4.06	-95.10
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)(CC(C)C)C(=O)[O-])O1	REAL300004206450	1	43	-2.0	-101.18	362.92	1.31	-99.87
CC(C)CC(C)(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004206723	0	46	-2.0	-105.21	371.53	4.61	-100.60
CC(C)CC(C)(CNC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300004207074	1	50	-2.0	-98.82	403.67	5.64	-93.18
CC(C)CC(C)(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004207312	0	46	-2.0	-98.59	376.19	4.61	-93.98
CC1=C(CC(=O)NCC(C)(CC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004207315	1	52	-2.0	-113.75	414.80	5.86	-107.89
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)(CC(C)C)C(=O)[O-]	REAL300004207318	0	52	-2.0	-107.01	413.44	6.30	-100.71
CC1=C(C(=O)NCC(C)(CC(C)C)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300004207399	1	52	-2.0	-116.32	394.82	6.10	-110.22
CC(C)CC(C)(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004208432	1	42	-2.0	-103.66	346.13	8.03	-95.63
CC(C)CC(C)(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300004208540	0	45	-2.0	-104.08	372.57	3.63	-100.45
CC(C)CC(C)(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300004208574	1	44	-2.0	-112.22	348.62	4.98	-107.24
CC(C)CC(C)(CNC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300004208633	0	55	-2.0	-123.64	429.07	8.89	-114.75
CC(C)CC(C)(CNC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300004208634	0	55	-2.0	-122.60	431.05	8.69	-113.91
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(C)(CC(C)C)C(=O)[O-])=N1	REAL300004208725	0	49	-2.0	-118.57	399.92	7.84	-110.73
CC(C)CC(C)(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300004208730	0	46	-2.0	-117.03	376.78	6.79	-110.24
CC(C)CC(C)(CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300004208762	1	44	-2.0	-121.59	349.73	7.65	-113.94
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C)(CC(C)C)C(=O)[O-])=N2)=C1	REAL300004208921	0	49	-2.0	-124.84	393.55	7.62	-117.22
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C)(CC(C)C)C(=O)[O-])=N1	REAL300004208922	0	52	-2.0	-125.35	412.02	8.58	-116.77
CC1=C(CC(=O)NCC(C)(CC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004208993	1	52	-2.0	-112.53	414.09	5.81	-106.72
CC(C)CC(C)(CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300004209045	0	39	-2.0	-91.21	330.24	6.31	-84.90
COC1=C(C(=O)NCC(C)(CC(C)C)C(=O)[O-])NC(=O)[N-]C1=O	REAL300004209058	1	42	-2.0	-96.97	339.65	1.18	-95.79
CC(C)CC(C)(CNC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300004209187	0	39	-2.0	-94.06	327.13	6.02	-88.04
CCOC1=CC(C(=O)NCC(C)(CC(C)C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004209190	1	46	-2.0	-99.28	378.18	7.06	-92.22
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C)(CC(C)C)C(=O)[O-])=N2)C=C1	REAL300004209202	0	50	-2.0	-122.44	400.34	6.06	-116.38
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C)(CC(C)C)C(=O)[O-])=CO1	REAL300004209225	1	43	-2.0	-91.83	358.78	1.52	-90.31
CC(C)CC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300004209381	0	42	-2.0	-89.42	345.13	4.14	-85.28
CC(C)CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300004209381	1	42	-2.0	-89.44	345.20	4.13	-85.31
COCC1=NC=C(C(=O)NCC(C)(CC(C)C)C(=O)[O-])C(=O)[N-]1	REAL300004209698	1	44	-2.0	-110.37	349.15	2.88	-107.49
CC(C)CC(C)(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300004209742	1	47	-2.0	-112.50	364.37	5.54	-106.96
CC(C)CC(C)(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300004210044	0	39	-2.0	-101.40	340.19	8.07	-93.33
CC1=C(C(=O)NCC(C)(CC(C)C)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004210343	0	47	-2.0	-116.62	372.05	5.41	-111.21
CC1=C(CCC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C(=O)NC(N2CCOCC2)=N1	REAL300004210915	0	52	-2.0	-101.24	416.87	6.90	-94.34
CC1=C(CCC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C(=O)[N-]C(N2CCOCC2)=N1	REAL300004210915	1	52	-2.0	-101.24	416.87	6.90	-94.34
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=N[N-]C3=CC=CC=C3C2=O)[C@H]2C[C@H]21	REAL300004211014	0	36	-2.0	-105.71	313.37	6.69	-99.02
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)=C1	REAL300004211275	0	42	-2.0	-105.63	359.29	4.72	-100.91
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	REAL300004211588	0	42	-2.0	-107.79	358.62	4.91	-102.88
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C=C1	REAL300004211637	1	44	-2.0	-118.30	381.47	9.85	-108.45
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)O1	REAL300004212087	1	45	-2.0	-94.17	383.23	3.24	-90.93
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)O1	REAL300004212088	1	36	-2.0	-93.73	329.61	0.72	-93.01
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)=C1	REAL300004212321	0	46	-2.0	-112.37	393.99	2.94	-109.43
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	REAL300004212366	0	39	-2.0	-106.33	337.15	4.02	-102.31
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)=CS1	REAL300004212741	1	43	-2.0	-107.80	371.84	5.14	-102.66
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	REAL300004212975	0	39	-2.0	-99.00	344.31	4.11	-94.89
CC1=C(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004212981	1	45	-2.0	-115.66	381.81	5.29	-110.37
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	REAL300004212986	0	45	-2.0	-108.33	380.12	5.70	-102.63
CC1=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004213056	1	45	-2.0	-100.64	362.07	5.56	-95.08
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	REAL300004213785	0	45	-2.0	-110.59	383.53	6.29	-104.30
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=C[N-]C3=CC=C(Br)C=C3C2=O)[C@H]2C[C@H]21	REAL300004213800	1	37	-2.0	-93.52	336.87	7.27	-86.25
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])[C@H]2C[C@H]21	REAL300004213977	1	35	-2.0	-106.59	313.80	7.50	-99.09
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C=N1	REAL300004214075	0	38	-2.0	-99.02	338.69	3.08	-95.94
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)[C@H]2C[C@H]21	REAL300004214105	1	37	-2.0	-99.57	316.23	4.54	-95.03
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](C(=O)[O-])[C@@H]4C[C@@H]43)=N2)=C1	REAL300004214160	0	48	-2.0	-120.24	397.82	8.10	-112.14
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](C(=O)[O-])[C@@H]4C[C@@H]43)=N2)C=C1	REAL300004214161	0	48	-2.0	-118.91	397.75	8.10	-110.81
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)=N1	REAL300004214235	0	42	-2.0	-115.57	365.30	7.20	-108.37
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])[C@H]2C[C@H]21	REAL300004214239	0	39	-2.0	-117.04	343.97	6.25	-110.79
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)[C@H]2C[C@H]21	REAL300004214263	1	37	-2.0	-117.43	317.60	7.12	-110.31
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)[C@H]2C[C@H]21	REAL300004214282	0	39	-2.0	-91.10	359.95	4.36	-86.74
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CN=C(I)C([O-])=C2)[C@H]2C[C@H]21	REAL300004214331	0	31	-2.0	-94.24	299.19	4.09	-90.15
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](C(=O)[O-])[C@@H]4C[C@@H]43)=N2)=C1	REAL300004214393	0	42	-2.0	-123.44	362.31	6.83	-116.61
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)=N1	REAL300004214394	0	45	-2.0	-120.90	371.85	7.97	-112.93
CC1=C(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004214451	1	45	-2.0	-114.67	382.89	5.33	-109.34
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)[C@H]2C[C@H]21	REAL300004214491	0	32	-2.0	-93.28	299.51	5.53	-87.75
COC1=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)NC(=O)[N-]C1=O	REAL300004214499	1	35	-2.0	-95.48	305.43	0.59	-94.89
CCOC1=CC(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)=CC(Cl)=C1[O-]	REAL300004214603	1	39	-2.0	-97.45	344.35	6.51	-90.94
O=C([O-])[C@@H]1C[C@H](NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])[C@H]2C[C@H]21	REAL300004214607	0	42	-2.0	-123.30	367.45	7.61	-115.69
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@@H](C(=O)[O-])[C@@H]4C[C@@H]43)=N2)C=C1	REAL300004214615	0	43	-2.0	-118.86	367.03	5.48	-113.38
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)=CO1	REAL300004214636	1	36	-2.0	-99.12	329.44	0.74	-98.38
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O=C([O-])[C@@H]1C[C@H](NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[C@H]2C[C@H]21	REAL300004215321	0	32	-2.0	-102.39	308.16	7.55	-94.84
CC1=C(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004215578	0	40	-2.0	-103.65	342.29	4.64	-99.01
CC(NC(=O)C1=CC=C([O-])C(F)=C1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300004216633	1	34	-2.0	-103.15	315.11	7.17	-95.98
CC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300004216673	0	34	-2.0	-99.97	312.56	5.22	-94.75
CC(NC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300004216673	1	34	-2.0	-99.98	312.62	5.23	-94.75
CC(NC(=O)C1=CN=CC([O-])=C1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300004216724	1	33	-2.0	-109.09	303.95	5.29	-103.80
CC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300004216927	0	37	-2.0	-109.66	334.06	6.00	-103.66
CC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300004216927	1	37	-2.0	-109.67	334.12	6.01	-103.66
CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300004216941	0	34	-2.0	-101.20	324.91	7.66	-93.54
CC(NC(=O)C1=C[N-]N=CC1=O)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300004217104	0	32	-2.0	-105.37	296.16	5.72	-99.65
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C(Cl)=C1	REAL300004217842	0	31	-2.0	-93.95	319.61	4.70	-89.25
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C(Cl)=C1	REAL300004217842	1	31	-2.0	-93.91	319.67	4.71	-89.20
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(Br)C(Cl)=C1	REAL300004217869	1	30	-2.0	-100.70	311.00	4.74	-95.96
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(Br)C(Cl)=C1	REAL300004218018	0	29	-2.0	-99.29	302.93	5.26	-94.03
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2(CCC(=O)[O-])CCCCC2)O1	REAL300004222454	1	44	-2.0	-98.81	363.82	2.61	-96.20
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2(CCC(=O)[O-])CCCCC2)=CS1	REAL300004222920	1	51	-2.0	-114.83	405.56	7.02	-107.81
CC1=C(CC(=O)NC2(CCC(=O)[O-])CCCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004223103	1	53	-2.0	-117.60	415.52	7.17	-110.43
O=C([O-])CCC1(NC(=O)C2=CC=C([O-])C(F)=C2)CCCCC1	REAL300004223992	1	40	-2.0	-106.75	317.20	6.86	-99.89
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CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2(CCC(=O)[O-])CCCCC2)C=N1	REAL300004224086	0	46	-2.0	-104.28	373.18	5.06	-99.22
O=C([O-])CCC1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCCC1	REAL300004224111	1	45	-2.0	-105.37	350.84	6.38	-98.99
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(CCC(=O)[O-])CCCCC3)=N2)=C1	REAL300004224160	0	56	-2.0	-134.82	432.07	9.99	-124.83
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3(CCC(=O)[O-])CCCCC3)=N2)C=C1	REAL300004224161	0	56	-2.0	-133.83	431.95	9.98	-123.85
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2(CCC(=O)[O-])CCCCC2)=N1	REAL300004224227	0	50	-2.0	-129.08	399.68	9.21	-119.87
O=C([O-])CCC1(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCCCC1	REAL300004224232	0	47	-2.0	-131.67	378.22	8.14	-123.53
O=C([O-])CCC1(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCCCC1	REAL300004224261	1	45	-2.0	-132.84	351.32	8.88	-123.96
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(CCC(=O)[O-])CCCCC3)=N2)=C1	REAL300004224394	0	50	-2.0	-136.83	397.27	8.82	-128.01
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2(CCC(=O)[O-])CCCCC2)=N1	REAL300004224395	0	53	-2.0	-134.22	406.39	9.97	-124.25
CC1=C(CC(=O)NC2(CCC(=O)[O-])CCCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004224453	1	53	-2.0	-115.11	415.69	7.16	-107.95
O=C([O-])CCC1(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCCCC1	REAL300004224508	0	40	-2.0	-100.35	333.96	7.53	-92.82
COC1=C(C(=O)NC2(CCC(=O)[O-])CCCCC2)NC(=O)[N-]C1=O	REAL300004224519	1	43	-2.0	-101.46	339.77	2.32	-99.14
O=C([O-])CCC1(NC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL300004224593	0	43	-2.0	-109.80	336.14	5.70	-104.10
O=C([O-])CCC1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL300004224593	1	43	-2.0	-109.80	336.20	5.71	-104.09
O=C([O-])CCC1(NC(=O)C2=CC=C([O-])C(Cl)=C2)CCCCC1	REAL300004224623	0	40	-2.0	-103.18	326.99	7.33	-95.85
CCOC1=CC(C(=O)NC2(CCC(=O)[O-])CCCCC2)=CC(Cl)=C1[O-]	REAL300004224627	1	47	-2.0	-105.68	378.04	8.38	-97.30
COC1=CC=C(N2C=C([O-])C(C(=O)NC3(CCC(=O)[O-])CCCCC3)=N2)C=C1	REAL300004224633	0	51	-2.0	-133.13	401.24	7.37	-125.76
C[N-]S(=O)(=O)C1=CC(C(=O)NC2(CCC(=O)[O-])CCCCC2)=CO1	REAL300004224648	1	44	-2.0	-108.31	363.63	2.70	-105.61
O=C([O-])CCC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL300004224782	0	43	-2.0	-92.66	347.40	5.59	-87.07
O=C([O-])CCC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL300004224782	1	43	-2.0	-92.63	347.47	5.60	-87.03
COCC1=NC=C(C(=O)NC2(CCC(=O)[O-])CCCCC2)C(=O)[N-]1	REAL300004225038	1	45	-2.0	-104.40	352.74	4.01	-100.39
O=C([O-])CCC1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCCCC1	REAL300004225080	1	48	-2.0	-105.37	366.59	6.93	-98.44
O=C([O-])CCC1(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCCC1	REAL300004225318	0	40	-2.0	-113.71	341.77	9.24	-104.47
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=C1	REAL300004227230	1	43	-2.0	-124.82	377.64	5.37	-119.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300004227479	1	43	-2.0	-126.18	377.72	5.59	-120.59
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)O1	REAL300004227850	1	37	-2.0	-102.00	348.67	1.40	-100.60
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC2=CC=CN=C21	REAL300004228052	0	40	-2.0	-124.28	356.25	4.70	-119.58
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=CS1	REAL300004228352	1	44	-2.0	-128.26	391.26	5.79	-122.47
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C([O-])=C1	REAL300004229106	1	37	-2.0	-136.46	323.10	6.36	-130.10
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=CC=C([O-])C(F)=C2)=C1	REAL300004229645	1	33	-2.0	-107.16	302.87	5.61	-101.55
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300004229659	1	36	-2.0	-129.34	332.38	8.05	-121.29
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300004229706	0	33	-2.0	-105.93	299.55	3.72	-102.21
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300004229706	1	33	-2.0	-105.95	299.49	3.70	-102.25
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=N1	REAL300004229788	0	39	-2.0	-109.96	357.30	3.73	-106.23
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300004229822	1	38	-2.0	-114.01	335.05	5.15	-108.86
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=CN=CC([O-])=C2)=C1	REAL300004229862	1	32	-2.0	-113.62	291.71	3.71	-109.91
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300004229977	0	40	-2.0	-138.49	363.03	6.91	-131.58
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300004230022	0	38	-2.0	-142.51	336.19	7.68	-134.83
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300004230308	0	33	-2.0	-105.02	318.06	6.18	-98.84
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300004230426	0	36	-2.0	-117.63	321.88	4.48	-113.15
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300004230426	1	36	-2.0	-117.62	321.82	4.46	-113.16
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300004230463	0	33	-2.0	-105.00	312.66	6.10	-98.90
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=CC(Cl)=C1[O-]	REAL300004230466	1	40	-2.0	-109.49	362.90	7.16	-102.33
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)=CO1	REAL300004230499	1	37	-2.0	-113.30	348.64	1.35	-111.95
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300004230591	0	41	-2.0	-123.85	361.11	10.05	-113.80
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300004230591	1	41	-2.0	-123.79	361.06	10.04	-113.75
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300004230666	0	36	-2.0	-98.28	331.65	4.28	-94.00
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300004230666	1	36	-2.0	-98.26	331.58	4.27	-93.99
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=C[N-]N=CC2=O)=C1	REAL300004230949	0	31	-2.0	-105.26	283.11	4.16	-101.10
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C(=O)[N-]1	REAL300004230983	1	38	-2.0	-113.49	336.89	2.81	-110.68
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300004231031	1	41	-2.0	-114.05	350.81	5.70	-108.35
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300004231341	0	33	-2.0	-124.64	326.46	8.09	-116.55
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC2=CC=CC=C2C(=O)[O-])=C1	REAL300004232570	0	44	-2.0	-115.05	377.05	5.43	-109.62
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300004232868	0	44	-2.0	-116.80	376.83	5.65	-111.15
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC2=CC=CC=C2C(=O)[O-])C=C1	REAL300004232913	1	46	-2.0	-128.23	399.00	10.56	-117.67
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=CC=CC=C2C(=O)[O-])O1	REAL300004233343	1	47	-2.0	-100.46	401.76	3.99	-96.47
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=CC=CC=C2C(=O)[O-])O1	REAL300004233344	1	38	-2.0	-100.00	348.15	1.46	-98.54
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300004233613	0	41	-2.0	-114.32	355.70	4.74	-109.58
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCC2=CC=CC=C2C(=O)[O-])=CS1	REAL300004233963	1	45	-2.0	-111.19	389.84	5.86	-105.33
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300004234199	0	41	-2.0	-107.65	362.07	4.82	-102.83
CC1=C(CC(=O)NCCC2=CC=CC=C2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004234202	1	47	-2.0	-115.13	399.87	6.01	-109.12
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=CC=CC=C1C(=O)[O-]	REAL300004234205	0	47	-2.0	-116.41	398.67	6.43	-109.98
CC1=C(C(=O)NCCC2=CC=CC=C2C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300004234286	1	47	-2.0	-112.44	379.68	6.23	-106.21
O=C([O-])C1=CC=CC=C1CCNC(=O)C1=CC=C([O-])C(F)=C1	REAL300004235346	1	34	-2.0	-102.88	301.17	5.69	-97.19
O=C([O-])C1=CC=CC=C1CCNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004235357	1	37	-2.0	-116.27	331.84	8.23	-108.04
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC2=CC=CC=C2C(=O)[O-])C=N1	REAL300004235464	0	40	-2.0	-106.11	356.75	3.78	-102.33
O=C([O-])C1=CC=CC=C1CCNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004235500	1	39	-2.0	-110.54	334.06	5.25	-105.29
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCC3=CC=CC=C3C(=O)[O-])=N2)=C1	REAL300004235558	0	50	-2.0	-131.22	416.00	8.83	-122.39
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCC3=CC=CC=C3C(=O)[O-])=N2)C=C1	REAL300004235559	0	50	-2.0	-129.87	415.94	8.82	-121.05
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC2=CC=CC=C2C(=O)[O-])=N1	REAL300004235654	0	44	-2.0	-125.88	383.15	7.95	-117.93
O=C([O-])C1=CC=CC=C1CCNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004235659	0	41	-2.0	-127.12	362.15	6.97	-120.15
O=C([O-])C1=CC=CC=C1CCNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004235697	1	39	-2.0	-130.32	335.66	7.86	-122.46
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCC3=CC=CC=C3C(=O)[O-])=N2)=C1	REAL300004235863	0	44	-2.0	-134.12	380.50	7.56	-126.56
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC2=CC=CC=C2C(=O)[O-])=N1	REAL300004235864	0	47	-2.0	-131.47	397.73	8.62	-122.85
CC1=C(CC(=O)NCCC2=CC=CC=C2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004235941	1	47	-2.0	-113.27	400.05	6.00	-107.27
O=C([O-])C1=CC=CC=C1CCNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004236001	0	34	-2.0	-99.52	317.52	6.24	-93.28
COC1=C(C(=O)NCCC2=CC=CC=C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300004236017	1	37	-2.0	-102.29	323.32	1.33	-100.96
O=C([O-])C1=CC=CC=C1CCNC(=O)CCCC1=N[N-]N=N1	REAL300004236118	0	37	-2.0	-106.32	320.42	4.53	-101.79
O=C([O-])C1=CC=CC=C1CCNC(=O)CCCC1=NN=N[N-]1	REAL300004236118	1	37	-2.0	-106.31	320.48	4.55	-101.76
O=C([O-])C1=CC=CC=C1CCNC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004236154	0	34	-2.0	-100.28	310.97	6.18	-94.10
CCOC1=CC(C(=O)NCCC2=CC=CC=C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004236157	1	41	-2.0	-104.14	362.36	7.21	-96.93
COC1=CC=C(N2C=C([O-])C(C(=O)NCCC3=CC=CC=C3C(=O)[O-])=N2)C=C1	REAL300004236167	0	45	-2.0	-129.57	385.23	6.21	-123.36
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2=CC=CC=C2C(=O)[O-])=CO1	REAL300004236191	1	38	-2.0	-105.10	346.94	1.42	-103.68
O=C([O-])C1=CC=CC=C1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004236357	0	37	-2.0	-94.10	330.71	4.34	-89.76
O=C([O-])C1=CC=CC=C1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004236357	1	37	-2.0	-94.12	330.78	4.34	-89.78
COCC1=NC=C(C(=O)NCCC2=CC=CC=C2C(=O)[O-])C(=O)[N-]1	REAL300004236689	1	39	-2.0	-109.28	336.15	2.85	-106.43
O=C([O-])C1=CC=CC=C1CCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004236737	1	42	-2.0	-110.22	349.88	5.83	-104.39
O=C([O-])C1=CC=CC=C1CCNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004237058	0	34	-2.0	-112.39	325.92	8.27	-104.12
CCCN(C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(C)C(=O)[O-]	REAL300004237888	1	53	-2.0	-119.35	415.33	8.65	-110.70
CCCN(C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(C)C(=O)[O-]	REAL300004238417	1	45	-2.0	-102.87	378.95	10.70	-92.17
CCCN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(C)C(=O)[O-]	REAL300004238563	1	47	-2.0	-127.18	383.27	6.89	-120.29
CCCN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(C)C(=O)[O-]	REAL300004238564	1	47	-2.0	-121.39	394.62	7.36	-114.03
CCCN(C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(C)C(=O)[O-]	REAL300004238575	0	43	-2.0	-99.73	368.58	5.30	-94.43
CCCN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(C)C(=O)[O-]	REAL300004238758	0	44	-2.0	-117.84	375.27	5.90	-111.94
CCCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(C)C(=O)[O-]	REAL300004238776	1	46	-2.0	-116.88	379.15	4.50	-112.38
CCCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(C)C(=O)[O-]	REAL300004238777	1	37	-2.0	-95.52	324.13	2.62	-92.90
CCCN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(C)C(=O)[O-]	REAL300004239002	0	44	-2.0	-112.10	378.86	6.03	-106.07
CCCN(C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(C)C(=O)[O-]	REAL300004239254	1	44	-2.0	-102.61	369.60	6.06	-96.55
CCCN(C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(C)C(=O)[O-]	REAL300004239430	1	46	-2.0	-117.34	380.46	6.26	-111.08
CCCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(C)C(=O)[O-]	REAL300004239560	1	47	-2.0	-109.53	381.71	6.85	-102.68
CCCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(C)C(=O)[O-]	REAL300004240094	1	36	-2.0	-115.44	301.82	7.48	-107.96
CCCN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(C)C(=O)[O-]	REAL300004240162	0	39	-2.0	-108.60	333.42	3.45	-105.15
CCCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(C)C(=O)[O-]	REAL300004240208	1	46	-2.0	-104.07	376.73	5.09	-98.98
CCCN(C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(C)C(=O)[O-]	REAL300004240222	0	49	-2.0	-125.30	391.55	9.14	-116.16
CCCN(C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(C)C(=O)[O-]	REAL300004240223	0	49	-2.0	-136.05	388.59	9.24	-126.81
CCCN(C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(C)C(=O)[O-]	REAL300004240269	0	43	-2.0	-132.09	357.81	8.35	-123.74
CCCN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(C)C(=O)[O-]	REAL300004240273	0	40	-2.0	-119.94	338.33	7.31	-112.63
CCCN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(C)C(=O)[O-]	REAL300004240289	1	38	-2.0	-129.01	311.13	9.04	-119.97
CCCN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(C)C(=O)[O-]	REAL300004240305	0	40	-2.0	-95.18	348.46	4.46	-90.72
CCCN(C(=O)C1=CN=C(I)C([O-])=C1)C(C)C(=O)[O-]	REAL300004240337	0	32	-2.0	-96.37	293.61	5.32	-91.05
CCCN(C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(C)C(=O)[O-]	REAL300004240370	0	43	-2.0	-140.24	352.47	7.96	-132.28
CCCN(C(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(C)C(=O)[O-]	REAL300004240371	0	46	-2.0	-132.11	372.38	8.16	-123.95
CCCN(C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(C)C(=O)[O-]	REAL300004240399	1	46	-2.0	-115.97	379.74	6.22	-109.75
CCCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(C)C(=O)[O-]	REAL300004240426	0	33	-2.0	-109.69	286.87	5.66	-104.03
CCCN(C(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(C)C(=O)[O-]	REAL300004240486	1	40	-2.0	-100.60	339.48	6.95	-93.65
CCCN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(C)C(=O)[O-]	REAL300004240489	0	43	-2.0	-131.53	344.73	8.10	-123.43
CCCN(C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(C)C(=O)[O-]	REAL300004240493	0	44	-2.0	-134.86	357.30	6.62	-128.24
CCCN(C(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(C)C(=O)[O-]	REAL300004240503	1	37	-2.0	-99.62	317.48	1.13	-98.49
CCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C(=O)[O-]	REAL300004240598	0	36	-2.0	-98.25	305.55	5.50	-92.75
CCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C(=O)[O-]	REAL300004240598	1	36	-2.0	-98.24	305.62	5.52	-92.72
CCCN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(C)C(=O)[O-]	REAL300004240801	1	41	-2.0	-120.24	334.96	5.41	-114.83
CCCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)C(=O)[O-]	REAL300004240964	0	33	-2.0	-109.19	295.82	7.29	-101.90
CC1=C(CCC(=O)NC(CC(=O)[O-])C(C)(C)C)C(=O)[N-]C(N2CCOCC2)=N1	REAL300004242090	1	56	-2.0	-102.98	428.10	7.13	-95.85
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(=O)[O-])C(C)(C)C)C=C1	REAL300004242641	1	48	-2.0	-130.38	393.87	10.18	-120.20
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C(C)(C)C)O1	REAL300004243003	1	49	-2.0	-99.64	394.90	3.52	-96.12
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C(C)(C)C)O1	REAL300004243004	1	40	-2.0	-98.27	341.24	0.99	-97.28
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C(C)(C)C)=CS1	REAL300004243502	1	47	-2.0	-103.56	383.04	5.38	-98.18
CC1=C(CC(=O)NC(CC(=O)[O-])C(C)(C)C)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004243694	1	49	-2.0	-109.25	393.89	5.57	-103.68
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004244483	1	39	-2.0	-111.13	324.99	7.64	-103.49
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300004244560	0	42	-2.0	-103.65	349.89	3.31	-100.34
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004244578	1	41	-2.0	-111.94	328.11	4.70	-107.24
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C(C)(C)C)=N2)=C1	REAL300004244626	0	52	-2.0	-129.33	409.48	8.34	-120.99
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C(C)(C)C)=N2)C=C1	REAL300004244627	0	52	-2.0	-127.42	409.41	8.33	-119.09
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C(C)(C)C)=N1	REAL300004244680	0	46	-2.0	-123.16	376.95	7.43	-115.73
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004244685	0	43	-2.0	-124.05	355.63	6.48	-117.57
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004244705	1	41	-2.0	-127.16	328.79	7.27	-119.89
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300004244723	0	43	-2.0	-92.02	371.11	4.60	-87.42
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=CN=C(I)C([O-])=C1	REAL300004244763	0	35	-2.0	-96.87	310.35	4.32	-92.55
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C(C)(C)C)=N2)=C1	REAL300004244813	0	46	-2.0	-131.97	373.98	7.06	-124.91
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C(C)(C)C)=N1	REAL300004244814	0	49	-2.0	-130.51	390.48	8.15	-122.36
CC1=C(CC(=O)NC(CC(=O)[O-])C(C)(C)C)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004244856	1	49	-2.0	-107.15	393.16	5.52	-101.63
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004244893	0	36	-2.0	-95.51	310.66	5.77	-89.74
COC1=C(C(=O)NC(CC(=O)[O-])C(C)(C)C)NC(=O)[N-]C1=O	REAL300004244899	1	39	-2.0	-97.63	316.59	0.72	-96.91
CCOC1=CC(C(=O)NC(CC(=O)[O-])C(C)(C)C)=CC(Cl)=C1[O-]	REAL300004244976	1	43	-2.0	-100.99	355.50	6.75	-94.24
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300004244979	0	46	-2.0	-133.36	379.12	7.85	-125.51
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C(C)(C)C)=N2)C=C1	REAL300004244984	0	47	-2.0	-126.93	378.70	5.71	-121.22
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C(C)(C)C)=CO1	REAL300004244995	1	40	-2.0	-98.14	340.42	0.96	-97.18
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004245100	0	39	-2.0	-90.45	324.19	3.85	-86.60
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004245100	1	39	-2.0	-90.43	324.26	3.87	-86.56
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C(C)(C)C)C(=O)[N-]1	REAL300004245316	1	41	-2.0	-109.98	329.27	2.40	-107.58
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004245352	1	44	-2.0	-112.08	343.87	5.25	-106.83
CC(C)(C)C(CC(=O)[O-])NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004245547	0	36	-2.0	-107.66	319.01	7.68	-99.98
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=C1	REAL300004247272	1	45	-2.0	-103.27	372.91	6.85	-96.42
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300004247541	1	45	-2.0	-105.38	375.84	7.07	-98.31
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)O1	REAL300004247963	1	39	-2.0	-110.50	341.88	3.35	-107.15
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300004248206	0	42	-2.0	-103.95	354.37	6.16	-97.79
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=CS1	REAL300004248540	1	46	-2.0	-95.08	387.65	7.87	-87.21
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC(C(=O)[O-])CC2=CC=CC=C21	REAL300004248756	0	42	-2.0	-100.55	362.05	6.26	-94.29
CC1=C(C(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004248843	1	48	-2.0	-114.96	382.62	7.50	-107.46
COC1=CC=C(C(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C([O-])=C1	REAL300004249335	1	39	-2.0	-111.40	321.21	6.99	-104.41
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300004249888	1	35	-2.0	-101.20	299.26	7.29	-93.91
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300004249901	1	38	-2.0	-103.50	330.86	8.66	-94.84
O=C([O-])C1CC2=CC=CC=C2N(C(=O)CCC2=N[N-]N=N2)C1	REAL300004249935	0	35	-2.0	-92.31	296.54	5.80	-86.51
O=C([O-])C1CC2=CC=CC=C2N(C(=O)CCC2=NN=N[N-]2)C1	REAL300004249935	1	35	-2.0	-92.36	296.60	5.81	-86.55
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C=N1	REAL300004250024	0	41	-2.0	-108.18	353.03	5.25	-102.93
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300004250059	1	40	-2.0	-113.70	330.17	6.51	-107.19
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=N1	REAL300004250213	0	45	-2.0	-119.97	383.98	9.49	-110.48
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300004250218	0	42	-2.0	-113.08	357.72	9.23	-103.85
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300004250260	0	40	-2.0	-115.71	329.58	10.15	-105.56
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CC4=CC=CC=C43)=N2)=C1	REAL300004250427	0	45	-2.0	-121.62	374.98	9.72	-111.90
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=N1	REAL300004250428	0	48	-2.0	-123.12	394.52	10.55	-112.57
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300004250567	0	35	-2.0	-96.84	314.31	7.81	-89.03
O=C([O-])C1CC2=CC=CC=C2N(C(=O)CCCC2=N[N-]N=N2)C1	REAL300004250684	0	38	-2.0	-90.33	317.58	6.46	-83.87
O=C([O-])C1CC2=CC=CC=C2N(C(=O)CCCC2=NN=N[N-]2)C1	REAL300004250684	1	38	-2.0	-90.32	317.63	6.48	-83.84
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300004250723	0	35	-2.0	-97.50	309.05	7.77	-89.73
CCOC1=CC(C(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=CC(Cl)=C1[O-]	REAL300004250727	1	42	-2.0	-102.18	359.15	8.78	-93.40
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])CC4=CC=CC=C43)=N2)C=C1	REAL300004250736	0	46	-2.0	-118.04	379.45	8.40	-109.64
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)=CO1	REAL300004250760	1	39	-2.0	-94.39	342.40	3.17	-91.22
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C1	REAL300004250850	0	43	-2.0	-109.98	354.69	12.59	-97.39
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C1	REAL300004250850	1	43	-2.0	-109.60	354.71	12.59	-97.01
CC1=C(C(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C2=C([N-]C=NC2=O)O1	REAL300004250863	0	39	-2.0	-114.89	336.32	5.08	-109.81
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300004250922	0	38	-2.0	-93.48	324.99	6.79	-86.69
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300004250922	1	38	-2.0	-93.42	325.05	6.80	-86.62
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])CC3=CC=CC=C32)C(=O)[N-]1	REAL300004251258	1	40	-2.0	-111.69	331.98	4.18	-107.51
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300004251307	1	43	-2.0	-114.01	345.93	7.05	-106.96
O=C([O-])C1CC2=CC=CC=C2N(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300004251633	0	35	-2.0	-100.87	324.92	8.71	-92.16
CC1=C(CCC(=O)NC2=NN(C)C(C(=O)[O-])=C2)C(=O)NC(N2CCOCC2)=N1	REAL300004252699	0	48	-2.0	-101.13	395.77	5.47	-95.66
CC1=C(CCC(=O)NC2=NN(C)C(C(=O)[O-])=C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300004252699	1	48	-2.0	-101.13	395.77	5.47	-95.66
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300004253059	1	38	-2.0	-104.65	337.94	3.27	-101.38
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN(C)C(C(=O)[O-])=C1	REAL300004253372	1	38	-2.0	-105.89	338.01	3.51	-102.38
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=NN(C)C(C(=O)[O-])=C2)C=C1	REAL300004253421	1	40	-2.0	-112.92	360.39	8.43	-104.49
CN1N=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C=C1C(=O)[O-]	REAL300004253871	1	41	-2.0	-87.11	362.60	1.84	-85.27
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN(C)C(C(=O)[O-])=C2)O1	REAL300004253872	1	32	-2.0	-86.88	308.98	-0.69	-87.57
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=NN(C)C(C(=O)[O-])=C2)=C1	REAL300004254105	0	42	-2.0	-111.22	372.91	1.48	-109.74
CN1N=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300004254150	0	35	-2.0	-104.37	316.54	2.61	-101.76
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=NN(C)C(C(=O)[O-])=C2)=CS1	REAL300004254525	1	39	-2.0	-108.62	350.76	3.72	-104.90
CN1N=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300004254759	0	35	-2.0	-97.13	322.95	2.67	-94.46
CC1=C(CC(=O)NC2=NN(C)C(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004254765	1	41	-2.0	-111.69	360.69	3.86	-107.83
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN(C)C(C(=O)[O-])=C1	REAL300004254770	1	41	-2.0	-106.43	359.51	4.29	-102.14
CC1=C(C(=O)NC2=NN(C)C(C(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004254840	1	41	-2.0	-94.88	341.37	4.11	-90.77
CN1N=C(NC(=O)C2=CC3=CC=CC=C3C=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300004255569	0	41	-2.0	-109.54	362.43	4.87	-104.67
CN1N=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1C(=O)[O-]	REAL300004255761	1	31	-2.0	-106.77	292.69	5.96	-100.81
CN1N=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300004255859	0	34	-2.0	-93.94	317.59	1.64	-92.30
CN1N=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C1C(=O)[O-]	REAL300004255889	1	33	-2.0	-94.04	295.43	3.05	-90.99
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=NN(C)C(C(=O)[O-])=C3)=N2)=C1	REAL300004255944	0	44	-2.0	-117.30	377.13	6.67	-110.63
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=NN(C)C(C(=O)[O-])=C3)=N2)C=C1	REAL300004255945	0	44	-2.0	-116.14	377.12	6.67	-109.47
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=NN(C)C(C(=O)[O-])=C2)=N1	REAL300004256019	0	38	-2.0	-113.25	344.66	5.78	-107.47
CN1N=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1C(=O)[O-]	REAL300004256023	0	35	-2.0	-115.04	323.34	4.82	-110.22
CN1N=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1C(=O)[O-]	REAL300004256047	0	33	-2.0	-117.69	296.49	5.59	-112.10
CN1N=C(NC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300004256066	0	35	-2.0	-88.88	338.81	2.93	-85.95
CN1N=C(NC(=O)C2=CN=C(I)C([O-])=C2)C=C1C(=O)[O-]	REAL300004256115	0	27	-2.0	-91.01	278.06	2.65	-88.36
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=NN(C)C(C(=O)[O-])=C3)=N2)=C1	REAL300004256177	0	38	-2.0	-120.69	341.68	5.40	-115.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NN(C)C(C(=O)[O-])=C2)=N1	REAL300004256178	0	41	-2.0	-118.43	351.20	6.54	-111.89
CC1=C(CC(=O)NC2=NN(C)C(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004256235	1	41	-2.0	-110.33	360.87	3.85	-106.48
CN1N=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300004256275	0	28	-2.0	-89.30	278.36	4.11	-85.19
CCOC1=CC(C(=O)NC2=NN(C)C(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300004256387	1	35	-2.0	-92.65	323.20	5.08	-87.57
CN1N=C(NC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C=C1C(=O)[O-]	REAL300004256391	0	38	-2.0	-120.57	346.83	6.18	-114.39
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=NN(C)C(C(=O)[O-])=C3)=N2)C=C1	REAL300004256399	0	39	-2.0	-116.06	346.41	4.05	-112.01
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=NN(C)C(C(=O)[O-])=C2)=CO1	REAL300004256420	1	32	-2.0	-97.19	308.13	-0.71	-97.90
CN1N=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1C(=O)[O-]	REAL300004256490	0	36	-2.0	-101.73	320.55	7.97	-93.76
CN1N=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1C(=O)[O-]	REAL300004256490	1	36	-2.0	-101.85	320.60	7.95	-93.90
CN1N=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300004256546	0	31	-2.0	-83.40	291.96	2.20	-81.20
CN1N=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300004256546	1	31	-2.0	-83.46	291.89	2.18	-81.28
COCC1=NC=C(C(=O)NC2=NN(C)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300004256812	1	33	-2.0	-93.51	297.27	0.70	-92.81
CN1N=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C1C(=O)[O-]	REAL300004256849	1	36	-2.0	-93.93	311.18	3.60	-90.33
CN1N=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1C(=O)[O-]	REAL300004257105	0	28	-2.0	-102.59	286.75	6.00	-96.59
CC1=C(C(=O)NC2=NN(C)C(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004257362	0	36	-2.0	-97.79	321.58	3.19	-94.60
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCC3=CC(C(=O)[O-])=CC=C32)O1	REAL300004258906	1	42	-2.0	-115.46	365.60	4.47	-110.99
COC1=CC=C(C(=O)N2CCCCC3=CC(C(=O)[O-])=CC=C32)C([O-])=C1	REAL300004259844	1	42	-2.0	-104.76	343.38	8.27	-96.49
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=CC=C([O-])C(F)=C1	REAL300004260264	1	38	-2.0	-101.75	319.18	8.14	-93.61
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004260276	1	41	-2.0	-98.12	352.72	9.96	-88.16
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)CCC1=N[N-]N=N1	REAL300004260315	0	38	-2.0	-95.56	319.29	6.74	-88.82
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)CCC1=NN=N[N-]1	REAL300004260315	1	38	-2.0	-95.56	319.35	6.75	-88.81
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCCC3=CC(C(=O)[O-])=CC=C32)C=N1	REAL300004260378	0	44	-2.0	-101.42	374.24	6.22	-95.20
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004260400	1	43	-2.0	-105.75	361.94	7.78	-97.97
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=CN=CC([O-])=C1	REAL300004260432	1	37	-2.0	-108.35	307.04	6.21	-102.14
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004260543	0	43	-2.0	-108.07	352.55	11.50	-96.57
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004260770	0	38	-2.0	-99.62	335.08	8.67	-90.95
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)CCCC1=N[N-]N=N1	REAL300004260855	0	41	-2.0	-92.80	340.65	7.51	-85.29
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)CCCC1=NN=N[N-]1	REAL300004260855	1	41	-2.0	-92.84	340.71	7.52	-85.32
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004260885	0	38	-2.0	-98.89	328.97	8.62	-90.27
CCOC1=CC(C(=O)N2CCCCC3=CC(C(=O)[O-])=CC=C32)=CC(Cl)=C1[O-]	REAL300004260889	1	45	-2.0	-105.54	379.91	9.63	-95.91
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCCC3=CC(C(=O)[O-])=CC=C32)=CO1	REAL300004260909	1	42	-2.0	-112.81	361.08	3.91	-108.90
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004261043	0	41	-2.0	-99.18	348.00	8.01	-91.17
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004261043	1	41	-2.0	-99.17	348.07	8.00	-91.17
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=C[N-]N=CC1=O	REAL300004261263	0	36	-2.0	-95.60	299.74	6.63	-88.97
COCC1=NC=C(C(=O)N2CCCCC3=CC(C(=O)[O-])=CC=C32)C(=O)[N-]1	REAL300004261284	1	43	-2.0	-104.47	362.06	5.36	-99.11
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004261326	1	46	-2.0	-105.73	377.70	8.33	-97.40
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004261546	0	38	-2.0	-96.23	346.78	10.03	-86.20
CC(CN1C=NC2=CC=CC=C21)(NC(=O)C1=CC=C([O-])C(F)=C1)C(=O)[O-]	REAL300004263629	1	40	-2.0	-106.55	335.86	7.51	-99.04
CC(CN1C=NC2=CC=CC=C21)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300004263682	0	40	-2.0	-103.84	333.35	5.54	-98.30
CC(CN1C=NC2=CC=CC=C21)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300004263682	1	40	-2.0	-103.82	333.41	5.55	-98.27
CC(CN1C=NC2=CC=CC=C21)(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)[O-]	REAL300004263745	1	45	-2.0	-112.01	368.98	6.93	-105.08
CC(CN1C=NC2=CC=CC=C21)(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300004263840	1	45	-2.0	-140.52	370.02	9.21	-131.31
CC(CN1C=NC2=CC=CC=C21)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300004264043	0	40	-2.0	-103.57	351.78	7.88	-95.69
COC1=C(C(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])NC(=O)[N-]C1=O	REAL300004264056	1	43	-2.0	-103.20	357.91	2.48	-100.72
CC(CN1C=NC2=CC=CC=C21)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300004264118	0	43	-2.0	-113.67	354.84	6.33	-107.34
CC(CN1C=NC2=CC=CC=C21)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300004264118	1	43	-2.0	-113.70	354.89	6.34	-107.36
CC(CN1C=NC2=CC=CC=C21)(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300004264143	0	40	-2.0	-104.42	345.66	8.00	-96.42
CC(CN1C=NC2=CC=CC=C21)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300004264255	0	43	-2.0	-94.86	365.30	5.96	-88.90
CC(CN1C=NC2=CC=CC=C21)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300004264255	1	43	-2.0	-94.85	365.36	5.97	-88.88
CC(CN1C=NC2=CC=CC=C21)(NC(=O)C1=C[N-]N=CC1=O)C(=O)[O-]	REAL300004264409	0	38	-2.0	-103.27	316.93	6.05	-97.22
COCC1=NC=C(C(=O)NC(C)(CN2C=NC3=CC=CC=C32)C(=O)[O-])C(=O)[N-]1	REAL300004264426	1	45	-2.0	-111.97	370.74	4.69	-107.28
CC(CN1C=NC2=CC=CC=C21)(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300004264458	1	48	-2.0	-113.75	384.83	7.50	-106.25
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)S1	REAL300004265608	0	40	-2.0	-103.88	367.48	2.66	-101.22
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C(=O)[O-])=C(C)S1	REAL300004265893	0	40	-2.0	-104.74	367.55	2.87	-101.87
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(C(=O)[O-])=C(C)S2)O1	REAL300004266332	1	34	-2.0	-99.25	338.53	-1.34	-100.59
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)S1	REAL300004266585	0	37	-2.0	-103.48	346.09	1.98	-101.50
CC1=C(C(=O)[O-])N=C(CNC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)S1	REAL300004266922	1	41	-2.0	-102.35	380.28	3.08	-99.27
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)S1	REAL300004267146	0	37	-2.0	-98.49	352.50	2.05	-96.44
CC1=C(C(=O)[O-])N=C(CNC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)S1	REAL300004267148	1	43	-2.0	-106.03	390.21	3.24	-102.79
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C(=O)[O-])=C(C)S1	REAL300004267151	0	43	-2.0	-105.18	389.05	3.66	-101.52
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)S1	REAL300004267234	1	43	-2.0	-104.20	370.17	3.47	-100.73
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CC=C([O-])C(F)=C2)S1	REAL300004268275	1	30	-2.0	-98.54	291.90	2.91	-95.63
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])S1	REAL300004268287	1	33	-2.0	-102.96	322.22	5.46	-97.50
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)S1	REAL300004268400	0	36	-2.0	-102.11	347.13	1.00	-101.11
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)S1	REAL300004268434	1	35	-2.0	-102.98	324.70	2.48	-100.50
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])S1	REAL300004268585	0	40	-2.0	-111.92	374.22	5.15	-106.77
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])S1	REAL300004268590	0	37	-2.0	-112.95	352.88	4.19	-108.76
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)S1	REAL300004268631	1	35	-2.0	-114.66	326.04	5.08	-109.58
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])S1	REAL300004268795	0	40	-2.0	-119.54	371.23	4.78	-114.76
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(C(=O)[O-])=C(C)S2)=N1	REAL300004268796	0	43	-2.0	-116.61	380.75	5.92	-110.69
CC1=C(C(=O)[O-])N=C(CNC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)S1	REAL300004268873	1	43	-2.0	-104.37	390.40	3.23	-101.14
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)S1	REAL300004268935	0	30	-2.0	-95.32	307.90	3.46	-91.86
COC1=C(C(=O)NCC2=NC(C(=O)[O-])=C(C)S2)NC(=O)[N-]C1=O	REAL300004268952	1	33	-2.0	-97.96	314.05	-1.45	-99.41
CC1=C(C(=O)[O-])N=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL300004269051	0	33	-2.0	-99.87	310.86	1.76	-98.11
CC1=C(C(=O)[O-])N=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL300004269051	1	33	-2.0	-99.84	310.91	1.78	-98.06
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)S1	REAL300004269089	0	30	-2.0	-95.08	301.69	3.40	-91.68
CCOC1=CC(C(=O)NCC2=NC(C(=O)[O-])=C(C)S2)=CC(Cl)=C1[O-]	REAL300004269093	1	37	-2.0	-99.52	352.75	4.44	-95.08
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(C(=O)[O-])=C(C)S3)=N2)C=C1	REAL300004269103	0	41	-2.0	-115.65	375.95	3.43	-112.22
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=NC(C(=O)[O-])=C(C)S2)=CO1	REAL300004269127	1	34	-2.0	-99.07	337.67	-1.35	-100.42
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300004269290	0	33	-2.0	-92.34	321.44	1.55	-90.79
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300004269290	1	33	-2.0	-92.31	321.51	1.56	-90.75
COCC1=NC=C(C(=O)NCC2=NC(C(=O)[O-])=C(C)S2)C(=O)[N-]1	REAL300004269620	1	35	-2.0	-101.64	326.79	0.06	-101.58
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)S1	REAL300004269668	1	38	-2.0	-102.91	340.71	2.96	-99.95
CC1=C(C(=O)[O-])N=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])S1	REAL300004269987	0	30	-2.0	-99.98	316.30	5.50	-94.48
CCC[C@@H](NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300004271951	1	50	-2.0	-105.39	404.50	6.23	-99.16
CCC[C@@H](NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004272270	0	40	-2.0	-115.76	346.68	4.05	-111.71
CCC[C@@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300004272521	1	44	-2.0	-107.56	392.47	6.30	-101.26
CCC[C@@H](NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300004272562	0	40	-2.0	-116.76	347.00	4.21	-112.55
CCC[C@@H](NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300004272600	1	42	-2.0	-112.72	369.09	9.20	-103.52
CCC[C@@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300004272650	1	44	-2.0	-99.96	392.24	6.34	-93.62
CCC[C@@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C)C=C1)C(=O)[O-]	REAL300004272652	1	47	-2.0	-99.47	405.94	7.02	-92.45
CCC[C@@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300004272767	1	44	-2.0	-106.57	386.09	6.22	-100.35
CCC[C@@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300004272768	1	44	-2.0	-111.73	386.02	6.26	-105.47
CCC[C@@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300004272780	0	40	-2.0	-91.20	367.52	4.38	-86.82
CCC[C@@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(C)C=C2)C=C1)C(=O)[O-]	REAL300004272906	1	47	-2.0	-100.27	407.66	6.86	-93.41
CCC[C@@H](NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300004272990	0	41	-2.0	-107.83	378.01	5.21	-102.62
CCC[C@@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300004273007	1	43	-2.0	-96.76	372.50	2.51	-94.25
CCC[C@@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300004273008	1	34	-2.0	-95.28	317.74	0.08	-95.20
CCC[C@@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(C)C=C2)=C1)C(=O)[O-]	REAL300004273120	1	47	-2.0	-114.65	407.45	6.91	-107.74
CCC[C@@H](NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(C)=C2)=C1)C(=O)[O-]	REAL300004273159	1	47	-2.0	-115.01	407.68	6.85	-108.16
CCC[C@@H](NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004273231	0	44	-2.0	-122.00	381.62	2.20	-119.80
CCC[C@@H](NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004273279	0	37	-2.0	-115.03	325.29	3.38	-111.65
CCC[C@@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300004273287	0	41	-2.0	-110.09	377.96	5.27	-104.82
CCC[C@@H](NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300004273288	0	44	-2.0	-114.10	402.85	5.88	-108.22
CCC[C@@H](NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300004273602	1	41	-2.0	-115.54	359.48	4.48	-111.06
CCC[C@@H](NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004273776	0	37	-2.0	-107.46	331.70	3.44	-104.02
CCC[C@@H](NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300004273785	1	43	-2.0	-126.41	369.66	4.56	-121.85
CCC[C@@H](NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300004273790	0	43	-2.0	-117.39	368.26	5.07	-112.32
CCC[C@@H](NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300004273841	1	43	-2.0	-110.92	349.45	4.87	-106.05
CCC[C@@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300004273948	1	44	-2.0	-99.39	386.01	6.25	-93.14
CCC[C@@H](NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004274372	0	43	-2.0	-120.00	371.42	5.57	-114.43
CCC[C@@H](NC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300004274455	0	30	-2.0	-93.95	305.92	5.53	-88.42
CCC[C@@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004274509	1	33	-2.0	-117.38	301.67	6.78	-110.60
CCC[C@@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300004274585	0	36	-2.0	-103.22	326.58	2.34	-100.88
CCC[C@@H](NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300004274639	1	43	-2.0	-95.59	381.05	4.48	-91.11
CCC[C@@H](NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300004274654	0	46	-2.0	-132.05	385.94	7.45	-124.60
CCC[C@@H](NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300004274655	0	46	-2.0	-130.53	385.87	7.44	-123.09
CCC[C@@H](NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300004274709	0	40	-2.0	-126.22	348.24	6.44	-119.78
CCC[C@@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300004274712	0	37	-2.0	-127.86	332.09	5.59	-122.27
CCC[C@@H](NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300004274740	0	37	-2.0	-95.86	347.80	3.64	-92.22
CCC[C@@H](NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300004274771	0	29	-2.0	-99.07	286.80	3.42	-95.65
CCC[C@@H](NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300004274809	0	40	-2.0	-135.06	350.43	6.18	-128.88
CCC[C@@H](NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300004274810	0	43	-2.0	-133.00	359.94	7.32	-125.68
CCC[C@@H](NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300004274834	1	43	-2.0	-125.11	369.84	4.56	-120.55
CCC[C@@H](NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300004274907	1	37	-2.0	-101.43	331.95	5.85	-95.58
CCC[C@@H](NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004274911	0	40	-2.0	-135.91	355.58	6.96	-128.95
CCC[C@@H](NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300004274917	0	41	-2.0	-130.15	355.15	4.83	-125.32
CCC[C@@H](NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300004274932	1	34	-2.0	-101.89	316.87	0.04	-101.85
CCC[C@@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300004275394	0	30	-2.0	-113.32	295.50	6.88	-106.44
CCC[C@@H](NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300004275571	0	38	-2.0	-113.63	329.69	3.94	-109.69
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)O1	REAL300004297711	1	40	-2.0	-99.53	372.89	-1.55	-101.08
COC1=CC=C(C(NC(=O)C2=CC=C([O-])C(F)=C2)C(=O)[O-])C=C1O	REAL300004299065	1	36	-2.0	-103.05	325.66	2.75	-100.30
COC1=CC=C(C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C(=O)[O-])C=C1O	REAL300004299077	1	39	-2.0	-122.19	356.58	5.23	-116.96
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1O	REAL300004299117	0	36	-2.0	-100.83	323.70	0.75	-100.08
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1O	REAL300004299117	1	36	-2.0	-100.85	323.76	0.75	-100.10
COC1=CC=C(C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C(=O)[O-])C=C1O	REAL300004299174	0	42	-2.0	-107.91	381.24	0.86	-107.05
COC1=CC=C(C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C(=O)[O-])C=C1O	REAL300004299195	1	41	-2.0	-115.11	358.74	2.32	-112.79
COC1=CC=C(C(NC(=O)C2=CN=CC([O-])=C2)C(=O)[O-])C=C1O	REAL300004299226	1	35	-2.0	-108.33	314.85	0.87	-107.46
COC1=CC=C(C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C(=O)[O-])C=C1O	REAL300004299334	1	41	-2.0	-139.21	360.39	4.83	-134.38
COC1=CC=C(C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C(=O)[O-])C=C1O	REAL300004299570	0	36	-2.0	-101.50	342.02	3.33	-98.17
COC1=CC=C(C(NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C(=O)[O-])C=C1O	REAL300004299583	1	39	-2.0	-102.83	348.16	-1.62	-104.45
COC1=CC=C(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])C=C1O	REAL300004299655	0	39	-2.0	-108.03	344.60	1.57	-106.46
COC1=CC=C(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])C=C1O	REAL300004299655	1	39	-2.0	-108.02	344.66	1.59	-106.43
COC1=CC=C(C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C(=O)[O-])C=C1O	REAL300004299685	0	36	-2.0	-100.99	335.46	3.24	-97.75
CCOC1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)=CC(Cl)=C1[O-]	REAL300004299688	1	43	-2.0	-106.42	387.10	4.23	-102.19
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)=CO1	REAL300004299709	1	40	-2.0	-106.00	372.02	-1.58	-107.58
COC1=CC=C(C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)[O-])C=C1O	REAL300004299839	0	39	-2.0	-95.00	355.79	1.33	-93.67
COC1=CC=C(C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)[O-])C=C1O	REAL300004299839	1	39	-2.0	-94.94	355.86	1.32	-93.62
COC1=CC=C(C(NC(=O)C2=C[N-]N=CC2=O)C(=O)[O-])C=C1O	REAL300004300054	0	34	-2.0	-105.47	307.30	1.23	-104.24
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=C(OC)C(O)=C2)C(=O)[N-]1	REAL300004300076	1	41	-2.0	-113.72	360.84	-0.09	-113.81
COC1=CC=C(C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C(=O)[O-])C=C1O	REAL300004300116	1	44	-2.0	-115.46	375.14	2.74	-112.72
COC1=CC=C(C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C(=O)[O-])C=C1O	REAL300004300337	0	36	-2.0	-118.20	350.65	5.26	-112.94
COC1=CC=C(C(=O)NC2=CC=C(N3CCOCC3)C=C2C(=O)[O-])C([O-])=C1	REAL300004305142	1	45	-2.0	-110.85	361.93	4.91	-105.94
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300004305470	1	41	-2.0	-97.28	341.88	4.25	-93.03
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300004305521	0	41	-2.0	-93.62	339.47	2.31	-91.31
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300004305521	1	41	-2.0	-93.61	339.52	2.32	-91.29
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004305584	1	46	-2.0	-117.42	375.70	3.77	-113.65
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)C1=CN=CC([O-])=C1	REAL300004305598	1	40	-2.0	-96.26	329.72	2.29	-93.97
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004305672	0	46	-2.0	-123.43	376.14	6.31	-117.12
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004305867	0	41	-2.0	-96.11	358.42	4.82	-91.29
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300004305938	0	44	-2.0	-94.98	361.20	3.07	-91.91
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300004305938	1	44	-2.0	-95.02	361.26	3.09	-91.93
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004305961	0	41	-2.0	-95.26	351.68	4.72	-90.54
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004306066	0	44	-2.0	-93.35	371.61	2.90	-90.45
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004306066	1	44	-2.0	-93.35	371.54	2.90	-90.45
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)C1=C[N-]N=CC1=O	REAL300004306213	0	39	-2.0	-104.54	322.87	2.85	-101.69
COCC1=NC=C(C(=O)NC2=CC=C(N3CCOCC3)C=C2C(=O)[O-])C(=O)[N-]1	REAL300004306229	1	46	-2.0	-115.88	377.86	1.51	-114.37
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004306261	1	49	-2.0	-117.69	391.45	4.32	-113.37
O=C([O-])C1=CC=C(N2CCCN(C(=O)CCC3=N[N-]N=N3)CC2)N=C1	REAL300004310440	0	42	-2.0	-93.62	344.87	4.93	-88.69
O=C([O-])C1=CC=C(N2CCCN(C(=O)CCC3=NN=N[N-]3)CC2)N=C1	REAL300004310440	1	42	-2.0	-93.60	344.93	4.95	-88.65
O=C([O-])C1=CC=C(N2CCCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)N=C1	REAL300004310864	0	42	-2.0	-90.47	360.79	6.59	-83.88
O=C([O-])C1=CC=C(N2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)N=C1	REAL300004310953	0	45	-2.0	-95.10	368.09	5.37	-89.73
O=C([O-])C1=CC=C(N2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)N=C1	REAL300004310953	1	45	-2.0	-95.10	368.15	5.39	-89.71
O=C([O-])C1=CC=C(N2CCCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)N=C1	REAL300004310981	0	42	-2.0	-90.32	354.58	6.50	-83.82
O=C([O-])C1=CC=C(N2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)N=C1	REAL300004311105	0	45	-2.0	-88.26	371.67	6.39	-81.87
O=C([O-])C1=CC=C(N2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)N=C1	REAL300004311105	1	45	-2.0	-88.28	371.60	6.39	-81.89
O=C([O-])C1=CC=C(N2CCCN(C(=O)C3=C[N-]N=CC3=O)CC2)N=C1	REAL300004311287	0	40	-2.0	-90.14	336.52	4.67	-85.47
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300004314971	1	43	-2.0	-92.98	351.70	6.60	-86.38
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300004315041	0	43	-2.0	-91.61	346.56	4.87	-86.74
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300004315041	1	43	-2.0	-91.60	346.62	4.88	-86.72
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004315117	1	48	-2.0	-92.52	382.41	5.81	-86.71
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300004315135	1	42	-2.0	-96.75	336.03	4.45	-92.30
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004315244	1	48	-2.0	-108.51	382.95	8.73	-99.78
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004315482	0	43	-2.0	-92.39	362.68	6.96	-85.43
COC1=C(C(=O)N2CCN(C3=CC=C(C(=O)[O-])C=C3)CC2C)NC(=O)[N-]C1=O	REAL300004315501	1	46	-2.0	-94.50	377.41	0.97	-93.53
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300004315577	0	46	-2.0	-98.27	368.06	5.65	-92.62
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300004315577	1	46	-2.0	-98.30	368.12	5.66	-92.64
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004315606	0	43	-2.0	-89.65	361.50	7.08	-82.57
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004315738	0	46	-2.0	-85.83	380.21	6.12	-79.71
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004315738	1	46	-2.0	-85.76	380.28	6.13	-79.63
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300004315922	0	41	-2.0	-82.91	332.99	5.07	-77.84
COCC1=NC=C(C(=O)N2CCN(C3=CC=C(C(=O)[O-])C=C3)CC2C)C(=O)[N-]1	REAL300004315945	1	48	-2.0	-92.37	384.43	3.46	-88.91
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004315981	1	51	-2.0	-92.53	398.18	6.35	-86.18
CC1=C(CCC(=O)N2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300004320897	1	48	-2.0	-122.25	383.54	6.91	-115.34
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300004321304	1	42	-2.0	-114.75	367.52	6.73	-108.02
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300004321364	1	40	-2.0	-138.14	348.23	9.80	-128.34
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300004321409	1	42	-2.0	-112.86	368.71	6.38	-106.48
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C(=O)[O-])C=C1	REAL300004321411	1	45	-2.0	-107.90	376.43	6.97	-100.93
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300004321499	1	42	-2.0	-125.21	356.30	6.20	-119.01
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300004321500	1	42	-2.0	-113.23	361.08	6.67	-106.56
CC1=CC(C(=O)N2CCC[C@H]2C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300004321509	0	38	-2.0	-105.22	337.38	4.39	-100.83
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N3CCC[C@H]3C(=O)[O-])C=C2)C=C1	REAL300004321603	1	45	-2.0	-106.66	382.51	7.35	-99.31
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300004321669	0	39	-2.0	-118.65	354.32	5.32	-113.33
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C(=O)[O-])O1	REAL300004321686	1	41	-2.0	-101.11	349.14	3.28	-97.83
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@H]2C(=O)[O-])O1	REAL300004321687	1	32	-2.0	-99.86	293.69	0.88	-98.98
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCC[C@H]3C(=O)[O-])=C2)C=C1	REAL300004321779	1	45	-2.0	-121.74	382.50	7.34	-114.40
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCC[C@H]3C(=O)[O-])=C2)=C1	REAL300004321804	1	45	-2.0	-119.78	383.82	6.98	-112.80
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300004321893	0	39	-2.0	-111.64	353.04	5.67	-105.97
O=C([O-])[C@@H]1CCCN1C(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300004321894	0	42	-2.0	-122.72	381.68	6.61	-116.11
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@H]2C(=O)[O-])=CS1	REAL300004322108	1	39	-2.0	-120.20	338.59	5.12	-115.08
CC1=C(CC(=O)N2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004322253	1	41	-2.0	-125.01	349.40	5.34	-119.67
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300004322381	1	42	-2.0	-107.60	356.51	6.21	-101.39
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300004322757	0	28	-2.0	-100.50	280.76	5.98	-94.52
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004322793	1	31	-2.0	-122.39	279.80	6.65	-115.74
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@H]2C(=O)[O-])C=N1	REAL300004322849	0	34	-2.0	-109.76	302.34	2.43	-107.33
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300004322889	1	41	-2.0	-101.68	356.14	4.90	-96.78
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@H]3C(=O)[O-])=N2)=C1	REAL300004322903	0	44	-2.0	-142.35	361.15	8.79	-133.56
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300004322904	0	44	-2.0	-141.23	361.08	8.79	-132.44
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300004322940	0	38	-2.0	-138.53	328.97	7.74	-130.79
O=C([O-])[C@@H]1CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004322943	0	35	-2.0	-139.17	307.30	6.93	-132.24
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300004322964	0	35	-2.0	-102.87	322.63	4.10	-98.77
O=C([O-])[C@@H]1CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300004322990	0	27	-2.0	-107.41	256.97	3.25	-104.16
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@H]3C(=O)[O-])=N2)=C1	REAL300004323012	0	38	-2.0	-146.70	326.40	7.31	-139.39
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H]2C(=O)[O-])=N1	REAL300004323013	0	41	-2.0	-144.87	329.10	7.88	-136.99
CC1=C(CC(=O)N2CCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004323026	1	41	-2.0	-122.69	348.72	5.27	-117.42
CCOC1=CC(C(=O)N2CCC[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004323076	1	35	-2.0	-108.17	307.08	6.25	-101.92
O=C([O-])[C@@H]1CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300004323079	0	38	-2.0	-140.56	335.38	7.84	-132.72
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300004323082	0	39	-2.0	-140.78	330.39	6.16	-134.62
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@H]2C(=O)[O-])=CO1	REAL300004323091	1	32	-2.0	-110.04	290.70	0.48	-109.56
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004323424	0	28	-2.0	-119.28	275.07	6.72	-112.56
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(NC(=O)C1=CC=C([O-])C(F)=C1)C(=O)[O-]	REAL300004331739	1	47	-2.0	-106.36	402.16	8.23	-98.13
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300004331775	0	47	-2.0	-103.33	402.00	6.40	-96.93
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300004331775	1	47	-2.0	-103.28	402.06	6.41	-96.87
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(NC(=O)C1=CN=CC([O-])=C1)C(=O)[O-]	REAL300004331806	1	46	-2.0	-109.50	391.00	6.34	-103.16
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL300004331926	0	50	-2.0	-110.74	423.50	7.18	-103.56
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL300004331926	1	50	-2.0	-110.73	423.56	7.19	-103.54
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(NC(=O)C1=C[N-]N=CC1=O)C(=O)[O-]	REAL300004332025	0	45	-2.0	-108.68	381.53	6.74	-101.94
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2F)=C1	REAL300004332813	1	41	-2.0	-113.12	358.92	5.46	-107.66
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=C(C)C=C1F	REAL300004333112	1	41	-2.0	-113.89	359.65	5.69	-108.20
CC1=CC(F)=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C=C1C(=O)[O-]	REAL300004333570	1	44	-2.0	-92.66	384.73	3.93	-88.73
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2F)O1	REAL300004333571	1	35	-2.0	-91.88	329.97	1.50	-90.38
CC1=CC(F)=C(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300004333832	0	38	-2.0	-112.15	338.18	4.79	-107.36
CC1=CC(F)=C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C=C1C(=O)[O-]	REAL300004334172	1	42	-2.0	-118.50	376.49	6.01	-112.49
CC1=CC(F)=C(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=C1C(=O)[O-]	REAL300004334402	0	38	-2.0	-104.42	344.60	4.86	-99.56
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=C(C)C=C1F	REAL300004334407	1	44	-2.0	-114.52	381.14	6.48	-108.04
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2F)C([O-])=C1	REAL300004334995	1	35	-2.0	-126.90	304.38	6.45	-120.45
CC1=CC(F)=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=C1C(=O)[O-]	REAL300004335548	1	31	-2.0	-100.40	283.98	5.73	-94.67
CC1=CC(F)=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1C(=O)[O-]	REAL300004335560	1	34	-2.0	-116.43	314.33	8.15	-108.28
CC1=CC(F)=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C1C(=O)[O-]	REAL300004335666	0	37	-2.0	-99.83	339.53	3.84	-95.99
CC1=CC(F)=C(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C=C1C(=O)[O-]	REAL300004335759	0	47	-2.0	-127.60	398.83	8.86	-118.74
CC1=CC(F)=C(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C=C1C(=O)[O-]	REAL300004335760	0	47	-2.0	-127.21	398.10	8.84	-118.37
CC1=CC(F)=C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C=C1C(=O)[O-]	REAL300004335856	0	41	-2.0	-123.34	360.76	7.93	-115.41
CC1=CC(F)=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1C(=O)[O-]	REAL300004335861	0	38	-2.0	-124.76	344.98	7.01	-117.75
CC1=CC(F)=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1C(=O)[O-]	REAL300004335903	0	36	-2.0	-128.65	317.47	7.77	-120.88
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=C(C)C=C3F)=N2)=C1	REAL300004336068	0	41	-2.0	-131.40	363.32	7.59	-123.81
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2F)=N1	REAL300004336069	0	44	-2.0	-129.01	372.61	8.73	-120.28
CC1=CC(F)=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300004336208	0	31	-2.0	-96.18	303.70	6.37	-89.81
CC1=CC(F)=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300004336324	0	34	-2.0	-109.28	307.05	4.68	-104.60
CC1=CC(F)=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300004336324	1	34	-2.0	-109.29	307.11	4.69	-104.60
CC1=CC(F)=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300004336361	0	31	-2.0	-97.00	293.78	6.20	-90.80
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2F)=CC(Cl)=C1[O-]	REAL300004336365	1	38	-2.0	-100.29	348.54	7.35	-92.94
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=C(C)C=C3F)=N2)C=C1	REAL300004336375	0	42	-2.0	-126.15	368.05	6.24	-119.91
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2F)=CO1	REAL300004336399	1	35	-2.0	-105.75	333.47	1.56	-104.19
CC1=CC(F)=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1C(=O)[O-]	REAL300004336492	0	39	-2.0	-110.88	342.36	10.15	-100.73
CC1=CC(F)=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1C(=O)[O-]	REAL300004336492	1	39	-2.0	-111.54	341.09	10.14	-101.40
CC1=CC(F)=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(=O)[O-]	REAL300004336565	0	34	-2.0	-88.39	312.94	4.37	-84.02
CC1=CC(F)=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(=O)[O-]	REAL300004336565	1	34	-2.0	-88.42	312.87	4.36	-84.06
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=C(C)C=C2F)C(=O)[N-]1	REAL300004336900	1	36	-2.0	-99.92	318.03	2.90	-97.02
CC1=CC(F)=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1C(=O)[O-]	REAL300004337270	0	31	-2.0	-111.83	308.39	8.19	-103.64
CC1=CC(F)=C(NC(=O)C2=C(C)N=C(C3=CC=CO3)NC2=O)C=C1C(=O)[O-]	REAL300004337579	0	39	-2.0	-103.91	343.09	5.37	-98.54
CC1=CC(F)=C(NC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)C=C1C(=O)[O-]	REAL300004337579	1	39	-2.0	-103.91	343.09	5.37	-98.54
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=C([O-])C(Cl)=C2)=C1	REAL300004340720	1	32	-2.0	-102.85	303.75	5.79	-97.06
CC(SC1=CC=CC=C1C(=O)NC1=CC=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300004340721	1	35	-2.0	-113.71	324.69	7.27	-106.44
CCOC1=CC(C(=O)NC2=CC=C([O-])C(Cl)=C2)=CC=C1OCC(=O)[O-]	REAL300004340722	1	39	-2.0	-97.24	354.74	6.47	-90.77
O=C([O-])C1=CC=C(CCC(=O)NC2=CC=C([O-])C(Cl)=C2)C=C1	REAL300004340723	1	34	-2.0	-96.80	318.44	7.02	-89.78
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C([O-])C(Cl)=C2)C=C1	REAL300004340724	1	32	-2.0	-95.17	306.87	6.73	-88.44
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)NC2=CC=C([O-])C(Cl)=C2)C=C1	REAL300004340725	1	36	-2.0	-98.31	351.39	1.91	-96.40
O=C([O-])C1=CC(C(=O)NC2=CC=C([O-])C(Cl)=C2)=CC([N+](=O)[O-])=C1	REAL300004340726	1	30	-2.0	-83.72	300.81	6.18	-77.54
O=C([O-])C1=CC(C(=O)NC2=CC=C([O-])C(Cl)=C2)=CC([N+](=O)[O-])=C1	REAL300004340727	1	30	-2.0	-83.72	300.81	6.18	-77.54
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2=CC=C([O-])C(Cl)=C2)C=C1	REAL300004340728	1	38	-2.0	-94.73	347.62	7.07	-87.66
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC=C([O-])C(Cl)=C2)=C1	REAL300004340729	1	35	-2.0	-99.33	328.60	7.01	-92.32
O=C([O-])C1=CC=CC=C1CCC(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340730	1	34	-2.0	-103.02	309.69	6.74	-96.28
CC1=CC(C(=O)NC2=CC=C([O-])C(Cl)=C2)=CC(C)=C1OCC(=O)[O-]	REAL300004340731	1	38	-2.0	-94.02	345.45	7.25	-86.77
O=C([O-])C1=CC(CC(=O)NC2=CC=C([O-])C(Cl)=C2)=CC=C1	REAL300004340732	1	31	-2.0	-108.24	297.05	6.20	-102.04
O=C([O-])C1=CC=C(C(=O)NC2=CC=C([O-])C(Cl)=C2)C(F)=C1	REAL300004340733	1	28	-2.0	-93.10	276.88	5.60	-87.50
O=C([O-])C1=CC=C(CC(=O)NC2=CC=C([O-])C(Cl)=C2)C=C1	REAL300004340734	1	31	-2.0	-105.73	297.04	6.21	-99.52
CC1=NC(C(=O)NC2=CC=C([O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300004340735	1	30	-2.0	-84.57	285.85	4.30	-80.27
O=C([O-])C1=CC(Br)=CC(C(=O)NC2=CC=C([O-])C(Cl)=C2)=C1	REAL300004340736	1	28	-2.0	-95.34	293.94	6.11	-89.23
O=C([O-])CC1=CC=CC(C(=O)NC2=CC=C([O-])C(Cl)=C2)=C1	REAL300004340737	1	31	-2.0	-102.19	294.84	6.28	-95.91
O=C([O-])C1=CC=CC=C1C1=CC=CC=C1C(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340738	1	38	-2.0	-119.55	338.44	8.87	-110.68
CC1=COC(CC(=O)[O-])=C1C(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340739	1	31	-2.0	-99.29	301.67	5.06	-94.23
O=C([O-])C1CCC(CC(=O)NC2=CC=C([O-])C(Cl)=C2)CC1	REAL300004340740	1	37	-2.0	-104.81	317.45	6.45	-98.36
O=C([O-])C12CCC(C(=O)NC3=CC=C([O-])C(Cl)=C3)(CC1)C2	REAL300004340741	1	35	-2.0	-99.50	306.61	5.91	-93.59
O=C([O-])C12CCC(C(=O)NC3=CC=C([O-])C(Cl)=C3)(CC1)CC2	REAL300004340742	1	38	-2.0	-92.14	315.97	6.42	-85.72
O=C([O-])C1=C2N=CC=C(C(=O)NC3=CC=C([O-])C(Cl)=C3)N2N=C1	REAL300004340743	1	30	-2.0	-98.54	294.23	4.85	-93.69
O=C([O-])CC1=C(C(=O)NC2=CC=C([O-])C(Cl)=C2)NC2=CC=CC=C21	REAL300004340744	1	35	-2.0	-114.74	324.83	6.23	-108.51
O=C([O-])C1=CC=C2CCCC(CC(=O)NC3=CC=C([O-])C(Cl)=C3)C2=C1	REAL300004340745	1	41	-2.0	-98.42	351.53	8.41	-90.01
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC=C([O-])C(Cl)=C2)O1	REAL300004340746	1	29	-2.0	-91.50	292.19	5.10	-86.40
O=C([O-])C1(C(=O)NC2=CC=C([O-])C(Cl)=C2)CC2(CCC2)C1	REAL300004340747	1	35	-2.0	-96.32	304.03	6.20	-90.12
O=C([O-])COC1=CC=C(C(=O)NC2=CC=C([O-])C(Cl)=C2)C=C1	REAL300004340748	1	32	-2.0	-93.32	303.67	5.80	-87.52
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC=C([O-])C(Cl)=C2)C1	REAL300004340749	1	37	-2.0	-107.00	340.77	6.08	-100.92
O=C([O-])CC1=CC=C(C(=O)NC2=CC=C([O-])C(Cl)=C2)C=C1	REAL300004340750	1	31	-2.0	-94.38	294.84	6.29	-88.09
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC=C([O-])C(Cl)=C2)C=C1	REAL300004340751	1	32	-2.0	-93.97	304.45	6.82	-87.15
O=C([O-])C1=COC(C=CC(=O)NC2=CC=C([O-])C(Cl)=C2)=C1	REAL300004340752	1	29	-2.0	-94.97	291.71	4.98	-89.99
O=C([O-])CCC1=CC=CC=C1C(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340753	1	34	-2.0	-119.33	307.03	7.02	-112.31
O=C([O-])C1=C(COCC(=O)NC2=CC=C([O-])C(Cl)=C2)OC=N1	REAL300004340754	1	31	-2.0	-111.48	305.16	1.19	-110.29
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C([O-])C(Cl)=C2)O1	REAL300004340755	1	29	-2.0	-92.44	292.95	5.35	-87.09
CC1=CC=C(C(=O)NC2=CC=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300004340756	1	31	-2.0	-103.40	288.46	6.06	-97.34
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340757	1	30	-2.0	-87.04	283.64	4.39	-82.65
O=C([O-])C1=NN(CCCC(=O)NC2=CC=C([O-])C(Cl)=C2)C=C1	REAL300004340758	1	34	-2.0	-118.58	322.05	5.07	-113.51
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC2=CC=C([O-])C(Cl)=C2)O1	REAL300004340759	1	35	-2.0	-105.51	316.40	5.35	-100.16
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NC2=CC=C([O-])C(Cl)=C2)C1	REAL300004340760	1	35	-2.0	-97.34	315.18	4.34	-93.00
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340761	1	36	-2.0	-114.29	304.56	6.45	-107.84
O=C([O-])C1(C(=O)NC2=CC=C([O-])C(Cl)=C2)CC1C1=CC=CC=C1	REAL300004340763	1	35	-2.0	-93.64	312.26	7.39	-86.25
O=C([O-])CC1=C(C(=O)NC2=CC=C([O-])C(Cl)=C2)NC2=CC=CC=C21	REAL300004340764	1	35	-2.0	-114.74	324.83	6.23	-108.51
O=C([O-])C1=CN(CC(=O)NC2=CC=C([O-])C(Cl)=C2)C2=CC=CC=C12	REAL300004340765	1	35	-2.0	-114.05	330.39	7.67	-106.38
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340766	1	31	-2.0	-92.40	288.41	6.20	-86.20
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340767	1	30	-2.0	-93.53	278.02	4.31	-89.22
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340768	1	31	-2.0	-92.07	288.80	6.21	-85.86
O=C([O-])C1=CC=C(C(=O)NC2=CC=C([O-])C(Cl)=C2)C(Cl)=C1	REAL300004340769	1	28	-2.0	-91.64	284.84	6.03	-85.61
O=C([O-])C1CC2(C1)CC(C(=O)NC1=CC=C([O-])C(Cl)=C1)C2	REAL300004340770	1	35	-2.0	-97.37	313.33	6.40	-90.97
COC1=CC(C(=O)[O-])=NC(C(=O)NC2=CC=C([O-])C(Cl)=C2)=C1	REAL300004340771	1	31	-2.0	-91.90	300.21	3.13	-88.77
O=C([O-])CCC1=CC=C(C(=O)NC2=CC=C([O-])C(Cl)=C2)C=C1	REAL300004340772	1	34	-2.0	-93.22	316.24	7.09	-86.13
O=C([O-])C1C(F)(F)C12CC(C(=O)NC1=CC=C([O-])C(Cl)=C1)C2	REAL300004340773	1	32	-2.0	-95.16	306.73	6.03	-89.13
CC1=C(C(=O)NC2=CC=C([O-])C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300004340774	1	28	-2.0	-91.39	282.80	5.39	-86.00
O=C([O-])C1=CC2=C(S1)SC(C(=O)NC1=CC=C([O-])C(Cl)=C1)=C2	REAL300004340775	1	28	-2.0	-91.47	302.18	6.12	-85.35
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2=CC=C([O-])C(Cl)=C2)=C1	REAL300004340776	1	32	-2.0	-99.63	310.08	5.22	-94.41
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340777	1	31	-2.0	-92.56	300.63	5.93	-86.63
O=C([O-])C1=C2C=C(C(=O)NC3=CC=C([O-])C(Cl)=C3)SC2=CC=C1	REAL300004340778	1	31	-2.0	-109.05	307.53	6.82	-102.23
O=C([O-])C1=NC=CC=C1CCC(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340779	1	33	-2.0	-108.43	306.14	4.98	-103.45
O=C([O-])C1=CC=C(/C=C/C(=O)NC2=CC=C([O-])C(Cl)=C2)C=C1	REAL300004340780	1	32	-2.0	-96.60	306.86	6.73	-89.87
O=C([O-])C1(C(=O)NC2=CC=C([O-])C(Cl)=C2)CC2(CCC2)C1	REAL300004340781	1	35	-2.0	-96.32	304.03	6.20	-90.12
O=C([O-])C1=CSC2=C1NC(C(=O)NC1=CC=C([O-])C(Cl)=C1)=C2	REAL300004340782	1	29	-2.0	-92.09	297.82	4.54	-87.55
O=C([O-])C1=CC2=C(C=C(C(=O)NC3=CC=C([O-])C(Cl)=C3)N2)S1	REAL300004340783	1	29	-2.0	-89.76	298.00	4.68	-85.08
O=C([O-])C1=COC2=C1NC(C(=O)NC1=CC=C([O-])C(Cl)=C1)=C2	REAL300004340784	1	29	-2.0	-90.96	289.18	3.67	-87.29
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340785	1	31	-2.0	-101.64	282.48	6.09	-95.55
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C([O-])C(Cl)=C2)C=N1	REAL300004340786	1	31	-2.0	-97.07	302.64	4.95	-92.12
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340787	1	33	-2.0	-112.64	291.59	3.84	-108.80
O=C([O-])C1=CC=CC2=C(C(=O)NC3=CC=C([O-])C(Cl)=C3)C=CC=C12	REAL300004340788	1	34	-2.0	-96.30	308.69	7.61	-88.69
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=CC=C([O-])C(Cl)=C1	REAL300004340789	1	34	-2.0	-106.34	313.75	6.68	-99.66
O=C([O-])C1=CSC(CC(=O)NC2=CC=C([O-])C(Cl)=C2)=C1	REAL300004340790	1	28	-2.0	-106.00	288.59	5.35	-100.65
O=C([O-])C1=CC=C(CC(=O)NC2=CC=C([O-])C(Cl)=C2)C=C1F	REAL300004340791	1	31	-2.0	-108.00	301.59	6.24	-101.76
O=C([O-])C1=C2CCCCC2=C(C(=O)NC2=CC=C([O-])C(Cl)=C2)S1	REAL300004340792	1	35	-2.0	-90.35	321.36	7.08	-83.27
O=C([O-])C12CCC(C(=O)NC3=CC=C([O-])C(Cl)=C3)(CC1)CC2	REAL300004340793	1	38	-2.0	-92.14	315.97	6.42	-85.72
O=C([O-])C1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300004341448	0	28	-2.0	-88.94	288.37	6.09	-82.85
O=C([O-])COC1=CC=CC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300004341449	0	32	-2.0	-98.42	319.46	6.37	-92.05
O=C([O-])C1=CC=CC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300004341450	0	28	-2.0	-101.60	288.39	6.09	-95.51
O=C([O-])C1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)S1	REAL300004341451	0	25	-2.0	-85.33	282.96	5.24	-80.09
O=C([O-])C1=CC=CC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=N1	REAL300004341452	0	27	-2.0	-91.53	286.50	4.37	-87.16
CC(SC1=CC=CC=C1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300004341453	0	35	-2.0	-108.85	340.70	7.83	-101.02
O=C([O-])C1=CC=C(CCC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300004341454	0	34	-2.0	-94.47	334.45	7.58	-86.89
O=C([O-])C1=CC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CC=N1	REAL300004341455	0	27	-2.0	-101.34	284.46	4.32	-97.02
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300004341456	0	32	-2.0	-92.88	323.17	7.28	-85.60
O=C([O-])C1=CC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CC([N+](=O)[O-])=C1	REAL300004341457	0	30	-2.0	-88.06	316.54	6.74	-81.32
O=C([O-])C1=CC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CC([N+](=O)[O-])=C1	REAL300004341458	0	30	-2.0	-88.06	316.54	6.74	-81.32
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300004341459	0	35	-2.0	-93.85	346.75	7.10	-86.75
O=C([O-])C1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)O1	REAL300004341460	0	25	-2.0	-84.55	274.80	4.49	-80.06
O=C([O-])C1=CC=CC=C1CCC(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341461	0	34	-2.0	-102.50	325.75	7.29	-95.21
CC1=CC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CC(C)=C1OCC(=O)[O-]	REAL300004341462	0	38	-2.0	-90.13	363.78	7.91	-82.22
O=C([O-])C1=CC(CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CC=C1	REAL300004341463	0	31	-2.0	-105.93	313.06	6.76	-99.17
O=C([O-])C1CCCC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C1	REAL300004341464	0	34	-2.0	-101.91	314.21	6.30	-95.61
O=C([O-])C1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=N1	REAL300004341465	0	27	-2.0	-89.28	284.26	4.31	-84.97
O=C([O-])C1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)N=C1	REAL300004341466	0	27	-2.0	-82.98	286.05	4.35	-78.63
CC(C)(CC(=O)[O-])CC(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341467	0	33	-2.0	-94.22	297.54	5.52	-88.70
O=C([O-])C1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C(F)=C1	REAL300004341468	0	28	-2.0	-89.14	292.90	6.16	-82.98
O=C([O-])C1=CN=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=N1	REAL300004341469	0	26	-2.0	-83.29	281.36	2.51	-80.78
O=C([O-])[C@H]1CC[C@H](C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)CC1	REAL300004341470	0	34	-2.0	-91.15	314.56	6.31	-84.84
O=C([O-])C1CCC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)CC1	REAL300004341471	0	34	-2.0	-110.32	308.21	6.18	-104.14
O=C([O-])C1=CC=C(CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300004341472	0	31	-2.0	-103.81	313.09	6.78	-97.03
O=C([O-])C1=CN(CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)N=N1	REAL300004341473	0	27	-2.0	-107.48	290.22	2.76	-104.72
CC1=NC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300004341474	0	30	-2.0	-82.36	302.16	4.88	-77.48
O=C([O-])C1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300004341475	0	28	-2.0	-88.94	288.37	6.09	-82.85
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C1	REAL300004341476	0	31	-2.0	-100.48	295.90	5.61	-94.87
O=C([O-])CC1=CC=CC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300004341477	0	31	-2.0	-98.22	310.57	6.86	-91.36
O=C([O-])CC1=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=CO1	REAL300004341478	0	28	-2.0	-105.69	290.84	5.01	-100.68
CC1=COC(CC(=O)[O-])=C1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341479	0	31	-2.0	-105.65	317.68	5.62	-100.03
O=C([O-])C1=CC=NC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300004341480	0	27	-2.0	-92.79	285.97	4.37	-88.42
O=C([O-])C12CC(C(=O)NC3=CC(Cl)=C([O-])C(Cl)=C3)(C1)C2	REAL300004341481	0	29	-2.0	-88.99	292.09	5.64	-83.35
O=C([O-])C1(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)CCC1	REAL300004341482	0	28	-2.0	-89.30	277.18	4.98	-84.32
O=C([O-])C1CCC(CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)CC1	REAL300004341483	0	37	-2.0	-100.79	333.21	7.03	-93.76
O=C([O-])C12CCC(C(=O)NC3=CC(Cl)=C([O-])C(Cl)=C3)(CC1)C2	REAL300004341484	0	35	-2.0	-97.64	322.35	6.49	-91.15
O=C([O-])C12CCC(C(=O)NC3=CC(Cl)=C([O-])C(Cl)=C3)(CC1)CC2	REAL300004341485	0	38	-2.0	-90.07	332.26	6.98	-83.09
CC(C)(CC(=O)[O-])CC(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341486	0	33	-2.0	-94.22	297.54	5.52	-88.70
CC(CC(=O)[O-])CC(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341487	0	30	-2.0	-97.32	287.79	5.15	-92.17
O=C([O-])C1=C2N=CC=C(C(=O)NC3=CC(Cl)=C([O-])C(Cl)=C3)N2N=C1	REAL300004341488	0	30	-2.0	-95.71	310.24	5.40	-90.31
O=C([O-])CC1=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)NC2=CC=CC=C21	REAL300004341489	0	35	-2.0	-111.22	340.54	6.80	-104.42
O=C([O-])C1=CC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=NO1	REAL300004341490	0	24	-2.0	-80.69	269.24	3.67	-77.02
O=C([O-])C1(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)CCCC1	REAL300004341491	0	31	-2.0	-92.88	290.53	5.78	-87.10
O=C([O-])C1=CC=C2CCCC(CC(=O)NC3=CC(Cl)=C([O-])C(Cl)=C3)C2=C1	REAL300004341492	0	41	-2.0	-95.32	367.02	9.01	-86.31
CC1=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300004341493	0	28	-2.0	-87.51	291.52	5.22	-82.29
CC1=C(C(=O)[O-])OC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300004341494	0	28	-2.0	-85.43	292.72	5.07	-80.36
O=C([O-])C1=CN(CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)N=C1	REAL300004341495	0	28	-2.0	-103.64	295.11	4.25	-99.39
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)O1	REAL300004341496	0	29	-2.0	-88.76	308.22	5.66	-83.10
O=C([O-])C1(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)CC2(CCC2)C1	REAL300004341497	0	35	-2.0	-91.97	320.04	6.76	-85.21
O=C([O-])COC1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300004341498	0	32	-2.0	-89.44	319.39	6.37	-83.07
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C1	REAL300004341499	0	37	-2.0	-102.70	356.97	6.66	-96.04
O=C([O-])CSCCC(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341500	0	28	-2.0	-90.25	298.22	5.29	-84.96
O=C([O-])C1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)N=C1	REAL300004341501	0	27	-2.0	-82.98	286.05	4.35	-78.63
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341502	0	28	-2.0	-89.64	290.82	3.76	-85.88
C[C@@H]1C[C@H](C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)O[C@H]1C(=O)[O-]	REAL300004341503	0	32	-2.0	-99.64	310.76	5.51	-94.13
CC(C)(CCC(=O)[O-])C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341504	0	33	-2.0	-99.74	306.38	5.63	-94.11
O=C([O-])CC1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300004341505	0	31	-2.0	-89.98	310.60	6.87	-83.11
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300004341506	0	32	-2.0	-91.78	320.45	7.39	-84.39
O=C([O-])C1=COC(C=CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300004341507	0	29	-2.0	-91.20	307.47	5.55	-85.65
O=C([O-])CCC1=CC=CC=C1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341508	0	34	-2.0	-113.67	323.34	7.58	-106.09
O=C([O-])C1=C(COCC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)OC=N1	REAL300004341509	0	31	-2.0	-109.08	321.15	1.74	-107.34
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)O1	REAL300004341510	0	29	-2.0	-89.93	309.00	5.91	-84.02
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C1	REAL300004341511	0	31	-2.0	-100.48	295.90	5.61	-94.87
CC1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1C(=O)[O-]	REAL300004341512	0	31	-2.0	-101.64	304.47	6.62	-95.02
O=C([O-])C1=CN=CC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300004341513	0	27	-2.0	-92.69	283.54	4.30	-88.39
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341514	0	30	-2.0	-83.89	299.68	4.95	-78.94
O=C([O-])C1=NN(CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300004341515	0	28	-2.0	-119.44	294.45	4.25	-115.19
O=C([O-])C1=NN(CCCC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300004341516	0	34	-2.0	-116.60	338.07	5.63	-110.97
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341517	0	28	-2.0	-104.32	276.94	4.97	-99.35
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)O1	REAL300004341518	0	35	-2.0	-104.19	332.51	5.94	-98.25
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C1	REAL300004341519	0	35	-2.0	-95.30	331.21	4.90	-90.40
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341520	0	28	-2.0	-104.32	276.94	4.97	-99.35
CC1=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)OC(C(=O)[O-])=C1	REAL300004341521	0	28	-2.0	-85.14	292.62	5.17	-79.97
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341522	0	36	-2.0	-101.84	312.27	7.45	-94.39
CC(C)C(C(=O)[O-])C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341523	0	30	-2.0	-88.74	279.83	5.21	-83.53
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341524	0	34	-2.0	-111.10	304.45	6.54	-104.56
O=C([O-])C1CCCN(CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C1	REAL300004341525	0	36	-2.0	-91.14	327.89	4.12	-87.02
O=C([O-])C1(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)CC1C1=CC=CC=C1	REAL300004341526	0	35	-2.0	-88.54	328.24	8.10	-80.44
O=C([O-])CC1=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)NC2=CC=CC=C21	REAL300004341527	0	35	-2.0	-111.22	340.54	6.80	-104.42
O=C([O-])C1=CN(CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C2=CC=CC=C12	REAL300004341528	0	35	-2.0	-112.28	346.41	8.23	-104.05
O=C([O-])C1CC12CC(C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1)C2	REAL300004341529	0	32	-2.0	-100.22	310.44	6.41	-93.81
O=C([O-])[C@H]1C[C@@H](C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C1	REAL300004341530	0	28	-2.0	-99.43	280.42	5.08	-94.35
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341531	0	34	-2.0	-116.55	317.85	7.18	-109.37
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341532	0	31	-2.0	-89.48	304.22	6.78	-82.70
CC1(C(=O)[O-])CC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C1	REAL300004341533	0	31	-2.0	-87.35	297.55	5.51	-81.84
O=C([O-])C1=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=CS1	REAL300004341534	0	25	-2.0	-109.18	276.83	5.83	-103.35
O=C([O-])C1=NNC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300004341535	0	25	-2.0	-92.39	272.25	2.51	-89.88
O=C([O-])C1=CC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=NN1	REAL300004341535	1	25	-2.0	-84.83	273.75	2.44	-82.39
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341536	0	30	-2.0	-89.60	294.06	4.87	-84.73
CCCC(C(=O)[O-])C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341537	0	30	-2.0	-89.16	288.55	5.44	-83.72
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341538	0	31	-2.0	-88.50	304.20	6.78	-81.72
O=C([O-])C1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C(Cl)=C1	REAL300004341539	0	28	-2.0	-87.85	300.86	6.59	-81.26
O=C([O-])C1CC2(C1)CC(C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1)C2	REAL300004341540	0	35	-2.0	-93.57	329.34	6.96	-86.61
COC1=CC(C(=O)[O-])=NC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300004341541	0	31	-2.0	-88.66	316.22	3.69	-84.97
CN1C(C(=O)[O-])=CC=C1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341542	0	29	-2.0	-89.79	291.26	5.30	-84.49
O=C([O-])C1(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)CC=CC1	REAL300004341543	0	29	-2.0	-91.56	285.10	5.58	-85.98
O=C([O-])CCC1=CC=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300004341544	0	34	-2.0	-89.28	332.00	7.67	-81.61
CC1=C(C(=O)[O-])C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=NN1	REAL300004341545	0	28	-2.0	-109.02	286.57	3.94	-105.08
O=C([O-])CC1(CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)CC1	REAL300004341546	0	31	-2.0	-94.10	301.23	5.79	-88.31
O=C([O-])C1C(F)(F)C12CC(C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1)C2	REAL300004341547	0	32	-2.0	-91.54	322.46	6.60	-84.94
O=C([O-])C1=NC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=CS1	REAL300004341548	0	24	-2.0	-86.42	278.04	3.24	-83.18
C[C@]1(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C[C@H]1C(=O)[O-]	REAL300004341549	0	28	-2.0	-99.55	284.17	5.11	-94.44
CC1=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300004341550	0	28	-2.0	-88.01	297.64	5.94	-82.07
O=C([O-])C1=CC2=C(S1)SC(C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1)=C2	REAL300004341551	0	28	-2.0	-87.72	318.19	6.68	-81.04
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300004341552	0	32	-2.0	-95.39	326.09	5.77	-89.62
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341553	0	31	-2.0	-89.10	315.61	6.48	-82.62
O=C([O-])C1=C2C=C(C(=O)NC3=CC(Cl)=C([O-])C(Cl)=C3)SC2=CC=C1	REAL300004341554	0	31	-2.0	-104.37	323.55	7.38	-96.99
O=C([O-])C1=NC=CC=C1CCC(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341555	0	33	-2.0	-103.02	321.44	5.55	-97.47
O=C([O-])C12CC(C(=O)NC3=CC(Cl)=C([O-])C(Cl)=C3)(C1)OC2	REAL300004341556	0	30	-2.0	-86.36	298.32	3.68	-82.68
O=C([O-])C1=CC=C(/C=C/C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1	REAL300004341557	0	32	-2.0	-92.89	322.87	7.29	-85.60
CC1CC1(C(=O)[O-])C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341558	0	28	-2.0	-88.70	279.38	5.24	-83.46
O=C([O-])C1(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)CC2(CCC2)C1	REAL300004341559	0	35	-2.0	-91.97	320.04	6.76	-85.21
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341560	0	28	-2.0	-106.52	282.99	4.70	-101.82
O=C([O-])C1=CSC2=C1NC(C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1)=C2	REAL300004341561	0	29	-2.0	-89.43	313.85	5.10	-84.33
O=C([O-])C1=CC2=C(C=C(C(=O)NC3=CC(Cl)=C([O-])C(Cl)=C3)N2)S1	REAL300004341562	0	29	-2.0	-87.64	313.73	5.25	-82.39
O=C([O-])C1=COC2=C1NC(C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1)=C2	REAL300004341563	0	29	-2.0	-88.31	304.91	4.26	-84.05
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341564	0	31	-2.0	-97.28	298.76	6.64	-90.64
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=N1	REAL300004341565	0	31	-2.0	-94.76	318.95	5.50	-89.26
C=C1CCC1(C(=O)[O-])C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341566	0	29	-2.0	-90.49	288.45	5.53	-84.96
O=C([O-])C1=CSC(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300004341567	0	25	-2.0	-95.20	281.59	5.11	-90.09
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341568	0	33	-2.0	-112.03	307.23	4.30	-107.73
O=C([O-])C1=CC=CC2=C(C(=O)NC3=CC(Cl)=C([O-])C(Cl)=C3)C=CC=C12	REAL300004341569	0	34	-2.0	-92.61	324.76	8.15	-84.46
CC(C)[C@]1(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C[C@H]1C(=O)[O-]	REAL300004341570	0	34	-2.0	-110.52	316.22	6.33	-104.19
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341571	0	34	-2.0	-104.38	329.75	7.24	-97.14
O=C([O-])C1=CSC(CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)=C1	REAL300004341572	0	28	-2.0	-103.77	304.60	5.90	-97.87
O=C([O-])C1=CC=C(CC(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)C=C1F	REAL300004341573	0	31	-2.0	-106.16	317.60	6.80	-99.36
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300004341574	0	31	-2.0	-105.06	295.33	5.63	-99.43
O=C([O-])C1=C2CCCCC2=C(C(=O)NC2=CC(Cl)=C([O-])C(Cl)=C2)S1	REAL300004341575	0	35	-2.0	-86.92	337.38	7.64	-79.28
O=C([O-])C12CCC(C(=O)NC3=CC(Cl)=C([O-])C(Cl)=C3)(CC1)CC2	REAL300004341576	0	38	-2.0	-90.07	332.26	6.98	-83.09
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC(=O)[O-])C(F)(F)F)=C1	REAL300004342458	0	37	-2.0	-102.45	339.35	3.49	-98.96
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])C(F)(F)F	REAL300004342768	0	37	-2.0	-103.26	339.43	3.70	-99.56
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC(CC(=O)[O-])C(F)(F)F)C=C1	REAL300004342816	1	39	-2.0	-112.93	361.44	8.61	-104.32
O=C([O-])CC([N-]C(=O)C(F)(F)C1=CC=CC=C1)C(F)(F)F	REAL300004343195	0	29	-2.0	-114.94	284.17	5.09	-109.85
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C(F)(F)F)O1	REAL300004343257	1	40	-2.0	-92.37	365.18	1.94	-90.43
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C(F)(F)F)O1	REAL300004343258	1	31	-2.0	-90.88	310.41	-0.49	-91.37
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])C(F)(F)F	REAL300004343530	0	34	-2.0	-101.73	317.96	2.81	-98.92
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C(F)(F)F)=CS1	REAL300004343888	1	38	-2.0	-97.35	352.16	3.91	-93.44
CCOC1=CC=CC=C1C(F)(F)C(=O)[N-]C(CC(=O)[O-])C(F)(F)F	REAL300004344081	1	36	-2.0	-120.38	331.00	5.29	-115.09
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC(=O)[O-])C(F)(F)F	REAL300004344128	0	34	-2.0	-95.67	324.37	2.87	-92.80
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC(=O)[O-])C(F)(F)F	REAL300004344134	0	40	-2.0	-103.74	360.93	4.50	-99.24
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)[N-]C(CC(=O)[O-])C(F)(F)F	REAL300004344516	1	39	-2.0	-122.59	350.98	5.98	-116.61
COC1=CC=CC=C1C(F)(F)C(=O)[N-]C(CC(=O)[O-])C(F)(F)F	REAL300004344566	0	33	-2.0	-118.97	311.12	4.43	-114.54
O=C([O-])CC([N-]C(=O)C(F)(F)C1=CC=C(Br)C=C1)C(F)(F)F	REAL300004344590	0	29	-2.0	-108.60	305.47	5.71	-102.89
O=C([O-])CC([N-]C(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1)C(F)(F)F	REAL300004344660	1	35	-2.0	-112.26	338.66	4.68	-107.58
CC(C)(C)C1=CC=C(C(F)(F)C(=O)[N-]C(CC(=O)[O-])C(F)(F)F)C=C1	REAL300004344883	1	41	-2.0	-114.82	360.38	7.41	-107.41
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(F)(F)F	REAL300004345256	1	30	-2.0	-102.21	294.11	6.22	-95.99
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C(F)(F)F)C=N1	REAL300004345363	0	33	-2.0	-96.09	319.01	1.83	-94.26
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C(F)(F)F)=N2)=C1	REAL300004345455	0	43	-2.0	-118.99	378.60	6.88	-112.11
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C(F)(F)F)=N2)C=C1	REAL300004345456	0	43	-2.0	-117.11	378.54	6.87	-110.24
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C(F)(F)F)=N1	REAL300004345546	0	37	-2.0	-113.13	346.08	5.97	-107.16
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(F)(F)F	REAL300004345551	0	34	-2.0	-114.18	324.76	5.02	-109.16
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(F)(F)F	REAL300004345582	1	32	-2.0	-117.46	297.92	5.84	-111.62
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C(F)(F)F)=N2)=C1	REAL300004345737	0	37	-2.0	-121.49	343.10	5.61	-115.88
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C(F)(F)F)=N1	REAL300004345738	0	40	-2.0	-120.09	359.62	6.68	-113.41
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(F)(F)F	REAL300004345859	0	27	-2.0	-88.11	279.81	4.30	-83.81
COC1=C(C(=O)NC(CC(=O)[O-])C(F)(F)F)NC(=O)[N-]C1=O	REAL300004345871	1	30	-2.0	-90.24	285.93	-0.69	-90.93
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C(F)(F)F	REAL300004345999	0	27	-2.0	-89.02	273.57	4.22	-84.80
CCOC1=CC(C(=O)NC(CC(=O)[O-])C(F)(F)F)=CC(Cl)=C1[O-]	REAL300004346002	1	34	-2.0	-93.11	324.63	5.27	-87.84
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C(F)(F)F)=N2)C=C1	REAL300004346014	0	38	-2.0	-116.94	347.83	4.26	-112.68
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C(F)(F)F)=CO1	REAL300004346037	1	31	-2.0	-91.89	309.55	-0.51	-92.40
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(F)(F)F	REAL300004346193	0	30	-2.0	-83.67	293.32	2.39	-81.28
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(F)(F)F	REAL300004346193	1	30	-2.0	-83.64	293.39	2.39	-81.25
O=C([O-])CC([N-]C(=O)C(F)(F)C1=CC=CC(Br)=C1)C(F)(F)F	REAL300004346366	0	29	-2.0	-110.43	305.09	5.69	-104.74
CC1=C(CC(F)(F)C(=O)[N-]C(CC(=O)[O-])C(F)(F)F)C2=CC=CC=C2N1	REAL300004346419	1	39	-2.0	-114.32	357.35	6.41	-107.91
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C(F)(F)F)C(=O)[N-]1	REAL300004346514	1	32	-2.0	-100.04	298.43	0.91	-99.13
O=C([O-])CC([N-]C(=O)C(F)(F)C1=CC=CN=C1)C(F)(F)F	REAL300004346623	0	28	-2.0	-108.53	278.38	3.23	-105.30
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(F)(F)F	REAL300004346857	0	27	-2.0	-98.99	288.20	6.27	-92.72
O=C([O-])CC([N-]C(=O)C(F)(F)CCN1C=CN=N1)C(F)(F)F	REAL300004346951	0	31	-2.0	-109.51	301.77	2.60	-106.91
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-]C(CC(=O)[O-])C(F)(F)F	REAL300004346952	0	32	-2.0	-107.86	302.61	5.49	-102.37
O=C([O-])CC([N-]C(=O)C(F)(F)CCN1C=CC=N1)C(F)(F)F	REAL300004346953	0	32	-2.0	-109.57	307.97	3.81	-105.76
CC1=C(C(=O)NC(CC(=O)[O-])C(F)(F)F)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004347160	1	35	-2.0	-105.92	322.59	3.37	-102.55
CC1=CC(C(F)(F)C(=O)[N-]C(CC(=O)[O-])C(F)(F)F)=CS1	REAL300004347303	0	29	-2.0	-112.55	297.01	4.86	-107.69
CN1C=C(C(F)(F)C(=O)[N-]C(CC(=O)[O-])C(F)(F)F)C=N1	REAL300004347304	0	29	-2.0	-111.93	287.88	2.82	-109.11
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C(CC(=O)[O-])C(F)(F)F	REAL300004347338	0	32	-2.0	-107.46	303.20	5.50	-101.96
CCC1=CC=CC=C1C(F)(F)C(=O)NC(CC(=O)[O-])C(F)(F)F	REAL300004347339	0	35	-2.0	-113.56	313.75	5.91	-107.65
CCC1=CC=CC=C1C(F)(F)C(=O)[N-]C(CC(=O)[O-])C(F)(F)F	REAL300004347339	1	35	-2.0	-113.56	313.75	5.91	-107.65
CC(C1=CC=CC=N1)N(CC1=C(C(=O)[O-])OC=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300004352655	1	43	-2.0	-120.61	357.33	7.54	-113.07
CC(C1=CC=CC=N1)N(CC1=C(C(=O)[O-])OC=C1)C(=O)CCC1=N[N-]N=N1	REAL300004352695	0	43	-2.0	-92.18	347.89	6.79	-85.39
CC(C1=CC=CC=N1)N(CC1=C(C(=O)[O-])OC=C1)C(=O)CCC1=NN=N[N-]1	REAL300004352695	1	43	-2.0	-92.16	347.95	6.80	-85.36
CC(C1=CC=CC=N1)N(CC1=C(C(=O)[O-])OC=C1)C(=O)C1=CN=CC([O-])=C1	REAL300004352745	1	42	-2.0	-98.79	342.41	5.51	-93.28
CC(C1=CC=CC=N1)N(CC1=C(C(=O)[O-])OC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300004352938	0	46	-2.0	-99.58	385.86	7.55	-92.03
CC(C1=CC=CC=N1)N(CC1=C(C(=O)[O-])OC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300004352938	1	46	-2.0	-99.58	385.91	7.57	-92.01
CC(C1=CC=CC=N1)N(CC1=C(C(=O)[O-])OC=C1)C(=O)C1=C[N-]N=CC1=O	REAL300004353105	0	41	-2.0	-95.75	341.03	7.41	-88.34
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)C1(C(=O)[O-])CC1	REAL300004367267	1	45	-2.0	-114.47	393.52	7.45	-107.02
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)C1(C(=O)[O-])CC1	REAL300004367268	1	45	-2.0	-114.47	393.52	7.45	-107.02
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)C(C)(C)C(=O)[O-]	REAL300004367269	1	47	-2.0	-116.16	390.88	7.87	-108.29
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)CCCC(=O)[O-]	REAL300004367270	1	47	-2.0	-109.36	407.20	7.85	-101.51
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)COCC(=O)[O-]	REAL300004367271	1	45	-2.0	-112.45	399.33	7.10	-105.35
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	REAL300004367272	1	45	-2.0	-106.91	395.29	7.65	-99.26
CCC(C(=O)[O-])C(=O)N(C)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300004367273	1	47	-2.0	-116.06	404.22	7.57	-108.49
CN(CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	REAL300004367274	1	45	-2.0	-111.94	396.94	7.75	-104.19
COC(C(=O)[O-])C(=O)N(C)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300004367275	1	45	-2.0	-113.83	389.69	6.58	-107.25
CC(C(=O)[O-])C(=O)N(C)CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300004367276	1	44	-2.0	-113.85	377.43	7.62	-106.23
CCCC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300004371305	0	38	-2.0	-103.30	333.82	4.47	-98.83
CCCC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300004371305	1	38	-2.0	-103.31	333.88	4.48	-98.83
CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C(OCC)=C1)C1=N[N-]N=N1	REAL300004371306	0	45	-2.0	-97.28	384.81	5.15	-92.13
CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C(OCC)=C1)C1=NN=N[N-]1	REAL300004371306	1	45	-2.0	-97.30	384.87	5.16	-92.14
CCCC(NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300004371307	0	40	-2.0	-96.85	348.81	5.67	-91.18
CCCC(NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300004371307	1	40	-2.0	-96.89	348.87	5.70	-91.19
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300004371308	0	38	-2.0	-95.66	337.26	5.38	-90.28
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300004371308	1	38	-2.0	-95.69	337.32	5.40	-90.29
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300004371309	0	42	-2.0	-95.25	381.47	0.58	-94.67
CCCC(NC(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300004371309	1	42	-2.0	-95.27	381.52	0.59	-94.68
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300004371310	0	36	-2.0	-92.46	330.90	4.85	-87.61
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300004371310	1	36	-2.0	-92.46	330.96	4.86	-87.60
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300004371311	0	36	-2.0	-92.46	330.90	4.85	-87.61
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300004371311	1	36	-2.0	-92.46	330.96	4.86	-87.60
CCCC(NC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1)C1=N[N-]N=N1	REAL300004371312	0	44	-2.0	-94.53	377.73	5.76	-88.77
CCCC(NC(=O)C1=CC=C(N2N=CC(C(=O)[O-])=C2C)C=C1)C1=NN=N[N-]1	REAL300004371312	1	44	-2.0	-94.54	377.79	5.78	-88.76
CCCC(NC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=N[N-]N=N1	REAL300004371313	0	40	-2.0	-119.42	340.16	5.41	-114.01
CCCC(NC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=NN=N[N-]1	REAL300004371313	1	40	-2.0	-119.41	340.22	5.42	-113.99
CCCC(NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1)C1=N[N-]N=N1	REAL300004371314	0	44	-2.0	-94.16	377.84	6.02	-88.14
CCCC(NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1)C1=NN=N[N-]1	REAL300004371314	1	44	-2.0	-94.15	377.89	6.04	-88.11
CCCC(NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300004371315	0	37	-2.0	-103.33	327.41	4.85	-98.48
CCCC(NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300004371315	1	37	-2.0	-103.35	327.47	4.87	-98.48
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=N[N-]N=N1	REAL300004371316	0	34	-2.0	-93.73	307.26	4.27	-89.46
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=NN=N[N-]1	REAL300004371316	1	34	-2.0	-93.79	307.32	4.28	-89.51
CCCC(NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300004371317	0	37	-2.0	-105.71	327.41	4.87	-100.84
CCCC(NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300004371317	1	37	-2.0	-105.71	327.47	4.88	-100.83
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)C1=N[N-]N=N1	REAL300004371318	0	36	-2.0	-88.68	316.41	2.97	-85.71
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)C1=NN=N[N-]1	REAL300004371318	1	36	-2.0	-88.67	316.47	2.99	-85.68
CCCC(NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300004371319	0	34	-2.0	-99.00	324.03	4.79	-94.21
CCCC(NC(=O)C1=CC(Br)=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300004371319	1	34	-2.0	-99.01	324.08	4.81	-94.20
CCCC(NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300004371320	0	37	-2.0	-106.95	324.93	4.95	-102.00
CCCC(NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300004371320	1	37	-2.0	-106.97	324.98	4.96	-102.01
CCCC(NC(=O)C1=C(CC(=O)[O-])OC=C1C)C1=N[N-]N=N1	REAL300004371321	0	37	-2.0	-121.75	332.03	3.71	-118.04
CCCC(NC(=O)C1=C(CC(=O)[O-])OC=C1C)C1=NN=N[N-]1	REAL300004371321	1	37	-2.0	-121.73	332.09	3.73	-118.00
CCCC(NC(=O)CC1CCC(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL300004371322	0	43	-2.0	-103.39	347.55	5.13	-98.26
CCCC(NC(=O)CC1CCC(C(=O)[O-])CC1)C1=NN=N[N-]1	REAL300004371322	1	43	-2.0	-103.42	347.60	5.14	-98.28
CCCC(NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=NN=N[N-]1	REAL300004371323	0	36	-2.0	-101.69	324.66	3.50	-98.19
CCCC(NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=N[N-]N=N1	REAL300004371323	1	36	-2.0	-101.70	324.60	3.49	-98.21
CCCC(NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300004371324	0	41	-2.0	-115.71	354.89	4.89	-110.82
CCCC(NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300004371324	1	41	-2.0	-115.73	354.95	4.91	-110.82
CCCC(NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=N[N-]N=N1	REAL300004371325	0	47	-2.0	-107.05	381.65	7.08	-99.97
CCCC(NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=NN=N[N-]1	REAL300004371325	1	47	-2.0	-107.03	381.70	7.10	-99.93
CCCC(NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=N[N-]N=N1	REAL300004371326	0	35	-2.0	-94.27	322.29	3.77	-90.50
CCCC(NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=NN=N[N-]1	REAL300004371326	1	35	-2.0	-94.27	322.35	3.79	-90.48
CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300004371327	0	38	-2.0	-93.26	333.75	4.48	-88.78
CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300004371327	1	38	-2.0	-93.20	333.80	4.50	-88.70
CCCC(NC(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300004371328	0	37	-2.0	-97.52	324.92	4.96	-92.56
CCCC(NC(=O)C1=CC=C(CC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300004371328	1	37	-2.0	-97.52	324.98	4.97	-92.55
CCCC(NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300004371329	0	38	-2.0	-94.11	334.82	5.49	-88.62
CCCC(NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300004371329	1	38	-2.0	-94.11	334.87	5.50	-88.61
CCCC(NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=N[N-]N=N1	REAL300004371330	0	35	-2.0	-95.05	321.81	3.64	-91.41
CCCC(NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=NN=N[N-]1	REAL300004371330	1	35	-2.0	-95.08	321.87	3.66	-91.42
CCCC(NC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=NN=N[N-]1	REAL300004371331	0	37	-2.0	-119.68	335.58	-0.05	-119.73
CCCC(NC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=N[N-]N=N1	REAL300004371331	1	37	-2.0	-119.70	335.52	-0.08	-119.78
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300004371332	0	35	-2.0	-94.75	323.35	4.00	-90.75
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300004371332	1	35	-2.0	-94.75	323.40	4.01	-90.74
CCCC(NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300004371333	0	37	-2.0	-107.57	318.73	4.74	-102.83
CCCC(NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300004371333	1	37	-2.0	-107.62	318.79	4.75	-102.87
CCCC(NC(=O)C1=CC(C(=O)[O-])=CN=C1C)C1=N[N-]N=N1	REAL300004371334	0	36	-2.0	-89.90	314.18	3.04	-86.86
CCCC(NC(=O)C1=CC(C(=O)[O-])=CN=C1C)C1=NN=N[N-]1	REAL300004371334	1	36	-2.0	-89.93	314.24	3.05	-86.88
CCCC(NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300004371335	0	40	-2.0	-116.45	352.48	3.74	-112.71
CCCC(NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300004371335	1	40	-2.0	-116.44	352.43	3.72	-112.72
CCCC(NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=N[N-]N=N1	REAL300004371336	0	41	-2.0	-110.40	346.34	4.13	-106.27
CCCC(NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=NN=N[N-]1	REAL300004371336	1	41	-2.0	-110.35	346.40	4.15	-106.20
CCCC(NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=N[N-]N=N1	REAL300004371337	0	41	-2.0	-96.61	345.55	2.99	-93.62
CCCC(NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=NN=N[N-]1	REAL300004371337	1	41	-2.0	-96.62	345.60	3.00	-93.62
CCCC(NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300004371338	0	42	-2.0	-106.98	331.47	5.27	-101.71
CCCC(NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300004371338	1	42	-2.0	-106.96	331.53	5.28	-101.68
CCCC(NC(=O)CN1CCCC(C(=O)[O-])C1)C1=N[N-]N=N1	REAL300004371339	1	42	-2.0	-118.03	336.89	1.87	-116.16
CCCC(NC(=O)CN1CCCC(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300004371339	1	42	-2.0	-118.02	336.95	1.89	-116.13
CCCC(NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300004371340	0	41	-2.0	-115.71	354.89	4.89	-110.82
CCCC(NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300004371340	1	41	-2.0	-115.73	354.95	4.91	-110.82
CCCC(NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=N[N-]N=N1	REAL300004371341	0	41	-2.0	-119.35	360.77	6.32	-113.03
CCCC(NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=NN=N[N-]1	REAL300004371341	1	41	-2.0	-119.34	360.82	6.33	-113.01
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC=C1C)C1=N[N-]N=N1	REAL300004371342	0	37	-2.0	-96.28	318.76	4.86	-91.42
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC=C1C)C1=NN=N[N-]1	REAL300004371342	1	37	-2.0	-96.28	318.82	4.88	-91.40
CCCC(NC(=O)C1=CN=CC(C(=O)[O-])=C1C)C1=N[N-]N=N1	REAL300004371343	0	36	-2.0	-95.06	308.41	2.96	-92.10
CCCC(NC(=O)C1=CN=CC(C(=O)[O-])=C1C)C1=NN=N[N-]1	REAL300004371343	1	36	-2.0	-95.08	308.46	2.97	-92.11
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1C)C1=N[N-]N=N1	REAL300004371344	0	37	-2.0	-93.35	318.75	4.87	-88.48
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1C)C1=NN=N[N-]1	REAL300004371344	1	37	-2.0	-93.28	318.81	4.88	-88.40
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL300004371345	0	34	-2.0	-92.13	315.22	4.70	-87.43
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL300004371345	1	34	-2.0	-92.16	315.28	4.72	-87.44
CCCC(NC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=N[N-]N=N1	REAL300004371346	0	41	-2.0	-96.55	343.69	5.05	-91.50
CCCC(NC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=NN=N[N-]1	REAL300004371346	1	41	-2.0	-96.56	343.75	5.06	-91.50
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300004371347	0	37	-2.0	-96.97	330.59	1.79	-95.18
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300004371347	1	37	-2.0	-96.94	330.65	1.81	-95.13
CCCC(NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300004371348	0	40	-2.0	-93.84	346.32	5.76	-88.08
CCCC(NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300004371348	1	40	-2.0	-93.84	346.38	5.78	-88.06
CCCC(NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=N[N-]N=N1	REAL300004371349	0	38	-2.0	-114.14	332.34	5.37	-108.77
CCCC(NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=NN=N[N-]1	REAL300004371349	1	38	-2.0	-114.16	332.39	5.38	-108.78
CCCC(NC(=O)C1=C(C)SC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300004371350	0	34	-2.0	-94.89	313.17	4.04	-90.85
CCCC(NC(=O)C1=C(C)SC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300004371350	1	34	-2.0	-94.88	313.22	4.06	-90.82
CCCC(NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1=NN=N[N-]1	REAL300004371351	0	34	-2.0	-92.00	332.61	4.78	-87.22
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)[O-])=C1Cl)C1=N[N-]N=N1	REAL300004371352	0	38	-2.0	-100.96	340.45	3.87	-97.09
CCCC(NC(=O)C1=CC(OC)=CC(C(=O)[O-])=C1Cl)C1=NN=N[N-]1	REAL300004371352	1	38	-2.0	-100.96	340.51	3.88	-97.08
CCCC(NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=N[N-]N=N1	REAL300004371353	0	37	-2.0	-112.01	337.91	5.46	-106.55
CCCC(NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=NN=N[N-]1	REAL300004371353	1	37	-2.0	-112.03	337.97	5.47	-106.56
CCCC(NC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=N[N-]N=N1	REAL300004371354	0	39	-2.0	-105.24	336.31	3.64	-101.60
CCCC(NC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=NN=N[N-]1	REAL300004371354	1	39	-2.0	-105.23	336.36	3.66	-101.57
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300004371355	0	38	-2.0	-95.66	337.26	5.38	-90.28
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300004371355	1	38	-2.0	-95.69	337.32	5.40	-90.29
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=N[N-]N=N1	REAL300004371356	0	35	-2.0	-95.74	327.91	3.21	-92.53
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=NN=N[N-]1	REAL300004371356	1	35	-2.0	-95.70	327.97	3.22	-92.48
CCCC(NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=N[N-]N=N1	REAL300004371357	0	35	-2.0	-91.34	328.10	3.34	-88.00
CCCC(NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=NN=N[N-]1	REAL300004371357	1	35	-2.0	-91.34	328.15	3.36	-87.98
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=N[N-]N=N1	REAL300004371358	0	35	-2.0	-94.10	319.26	2.35	-91.75
CCCC(NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=NN=N[N-]1	REAL300004371358	1	35	-2.0	-94.09	319.32	2.36	-91.73
CCCC(NC(=O)C1=CC=CC(C(=O)[O-])=C1C)C1=N[N-]N=N1	REAL300004371359	0	37	-2.0	-102.11	312.89	4.75	-97.36
CCCC(NC(=O)C1=CC=CC(C(=O)[O-])=C1C)C1=NN=N[N-]1	REAL300004371359	1	37	-2.0	-102.07	312.95	4.76	-97.31
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=N[N-]N=N1	REAL300004371360	0	37	-2.0	-97.50	333.04	3.60	-93.90
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=NN=N[N-]1	REAL300004371360	1	37	-2.0	-97.51	333.09	3.62	-93.89
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300004371361	0	39	-2.0	-136.31	322.94	2.58	-133.73
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300004371361	1	39	-2.0	-136.28	323.02	2.59	-133.69
CCCC(NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=NN=N[N-]1	REAL300004371362	0	40	-2.0	-97.14	338.80	6.27	-90.87
CCCC(NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=N[N-]N=N1	REAL300004371362	1	40	-2.0	-97.13	338.74	6.26	-90.87
CCCC(NC(=O)CC1=CC=C(C(=O)[O-])C=C1C)C1=N[N-]N=N1	REAL300004371363	0	40	-2.0	-106.62	344.11	5.33	-101.29
CCCC(NC(=O)CC1=CC=C(C(=O)[O-])C=C1C)C1=NN=N[N-]1	REAL300004371363	1	40	-2.0	-106.60	344.17	5.34	-101.26
CCCC(NC(=O)CC1=CC(C(=O)[O-])=CS1)C1=N[N-]N=N1	REAL300004371364	0	34	-2.0	-102.76	318.96	4.00	-98.76
CCCC(NC(=O)CC1=CC(C(=O)[O-])=CS1)C1=NN=N[N-]1	REAL300004371364	1	34	-2.0	-102.80	319.01	4.02	-98.78
CCCC(NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=N[N-]N=N1	REAL300004371365	0	37	-2.0	-108.57	331.96	4.89	-103.68
CCCC(NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=NN=N[N-]1	REAL300004371365	1	37	-2.0	-108.58	332.01	4.90	-103.68
CCCC(NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=N[N-]N=N1	REAL300004371366	0	41	-2.0	-93.91	351.74	5.72	-88.19
CCCC(NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=NN=N[N-]1	REAL300004371366	1	41	-2.0	-93.90	351.80	5.73	-88.17
O=C([O-])C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300004372772	1	43	-2.0	-93.57	371.21	7.05	-86.52
O=C([O-])C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300004372825	0	43	-2.0	-90.07	370.65	5.52	-84.55
O=C([O-])C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300004372825	1	43	-2.0	-90.04	370.71	5.54	-84.50
O=C([O-])C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300004372864	1	42	-2.0	-94.90	362.30	5.28	-89.62
O=C([O-])C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300004373036	0	46	-2.0	-93.38	392.09	6.31	-87.07
O=C([O-])C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300004373036	1	46	-2.0	-93.40	392.15	6.32	-87.08
O=C([O-])C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300004373158	0	41	-2.0	-94.23	360.09	5.58	-88.65
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC(=O)[O-])CC2=CC=NC=C2)O1	REAL300004375391	1	40	-2.0	-113.98	363.63	2.44	-111.54
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CCC(=O)[O-])CC2=CC=NC=C2)=CS1	REAL300004375839	1	47	-2.0	-94.66	409.97	6.75	-87.91
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300004376924	1	36	-2.0	-102.22	314.54	6.04	-96.18
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004376935	1	39	-2.0	-102.51	356.64	7.51	-95.00
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)CCC1=N[N-]N=N1	REAL300004376969	0	36	-2.0	-93.58	319.03	4.63	-88.95
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)CCC1=NN=N[N-]1	REAL300004376969	1	36	-2.0	-93.58	319.09	4.64	-88.94
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CCC(=O)[O-])CC2=CC=NC=C2)C=N1	REAL300004377040	0	42	-2.0	-112.70	373.60	4.15	-108.55
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004377065	1	41	-2.0	-109.84	362.43	5.64	-104.20
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=CN=CC([O-])=C1	REAL300004377102	1	35	-2.0	-96.40	305.79	4.16	-92.24
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])CC2=CC=NC=C2)=N1	REAL300004377183	0	46	-2.0	-108.59	393.62	9.04	-99.55
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004377188	0	43	-2.0	-108.77	373.62	8.12	-100.65
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004377219	1	41	-2.0	-110.74	350.32	9.69	-101.05
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])CC3=CC=NC=C3)=N2)=C1	REAL300004377356	0	46	-2.0	-119.39	394.87	8.70	-110.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])CC2=CC=NC=C2)=N1	REAL300004377357	0	49	-2.0	-115.68	411.23	9.74	-105.94
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004377468	0	36	-2.0	-95.03	330.55	6.59	-88.44
COC1=C(C(=O)N(CCC(=O)[O-])CC2=CC=NC=C2)NC(=O)[N-]C1=O	REAL300004377480	1	39	-2.0	-103.30	350.30	0.79	-102.51
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300004377560	0	39	-2.0	-90.10	340.53	5.41	-84.69
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300004377560	1	39	-2.0	-90.08	340.59	5.42	-84.66
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004377592	0	36	-2.0	-96.84	324.34	6.53	-90.31
CCOC1=CC(C(=O)N(CCC(=O)[O-])CC2=CC=NC=C2)=CC(Cl)=C1[O-]	REAL300004377596	1	43	-2.0	-101.59	375.40	7.56	-94.03
COC1=CC=C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])CC3=CC=NC=C3)=N2)C=C1	REAL300004377602	0	47	-2.0	-116.61	399.59	7.35	-109.26
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCC(=O)[O-])CC2=CC=NC=C2)=CO1	REAL300004377618	1	40	-2.0	-92.19	358.53	1.94	-90.25
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004377759	0	39	-2.0	-95.19	347.11	6.13	-89.06
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004377759	1	39	-2.0	-95.15	347.18	6.13	-89.02
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=C[N-]N=CC1=O	REAL300004377997	0	34	-2.0	-97.93	310.26	4.72	-93.21
COCC1=NC=C(C(=O)N(CCC(=O)[O-])CC2=CC=NC=C2)C(=O)[N-]1	REAL300004378021	1	41	-2.0	-109.67	342.96	2.73	-106.94
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004378064	1	44	-2.0	-110.21	378.18	6.19	-104.02
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004378312	0	36	-2.0	-100.88	344.77	7.45	-93.43
CCCN(C(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(C)C(=O)[O-]	REAL300004380888	1	53	-2.0	-119.35	415.33	8.65	-110.70
CCCN(C(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(C)C(=O)[O-]	REAL300004381417	1	45	-2.0	-102.87	378.95	10.70	-92.17
CCCN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(C)C(=O)[O-]	REAL300004381563	1	47	-2.0	-127.18	383.27	6.89	-120.29
CCCN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(C)C(=O)[O-]	REAL300004381564	1	47	-2.0	-121.39	394.62	7.36	-114.03
CCCN(C(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(C)C(=O)[O-]	REAL300004381575	0	43	-2.0	-99.73	368.58	5.30	-94.43
CCCN(C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(C)C(=O)[O-]	REAL300004381758	0	44	-2.0	-117.84	375.27	5.90	-111.94
CCCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(C)C(=O)[O-]	REAL300004381776	1	46	-2.0	-116.88	379.15	4.50	-112.38
CCCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(C)C(=O)[O-]	REAL300004381777	1	37	-2.0	-95.52	324.13	2.62	-92.90
CCCN(C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(C)C(=O)[O-]	REAL300004382002	0	44	-2.0	-112.10	378.86	6.03	-106.07
CCCN(C(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(C)C(=O)[O-]	REAL300004382254	1	44	-2.0	-102.61	369.60	6.06	-96.55
CCCN(C(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(C)C(=O)[O-]	REAL300004382430	1	46	-2.0	-117.34	380.46	6.26	-111.08
CCCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(C)C(=O)[O-]	REAL300004382560	1	47	-2.0	-109.53	381.71	6.85	-102.68
CCCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(C)C(=O)[O-]	REAL300004383094	1	36	-2.0	-115.44	301.82	7.48	-107.96
CCCN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(C)C(=O)[O-]	REAL300004383162	0	39	-2.0	-108.60	333.42	3.45	-105.15
CCCN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(C)C(=O)[O-]	REAL300004383208	1	46	-2.0	-104.07	376.73	5.09	-98.98
CCCN(C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(C)C(=O)[O-]	REAL300004383222	0	49	-2.0	-125.30	391.55	9.14	-116.16
CCCN(C(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(C)C(=O)[O-]	REAL300004383223	0	49	-2.0	-136.05	388.59	9.24	-126.81
CCCN(C(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(C)C(=O)[O-]	REAL300004383269	0	43	-2.0	-132.09	357.81	8.35	-123.74
CCCN(C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(C)C(=O)[O-]	REAL300004383273	0	40	-2.0	-119.94	338.33	7.31	-112.63
CCCN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(C)C(=O)[O-]	REAL300004383289	1	38	-2.0	-129.01	311.13	9.04	-119.97
CCCN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(C)C(=O)[O-]	REAL300004383305	0	40	-2.0	-95.18	348.46	4.46	-90.72
CCCN(C(=O)C1=CN=C(I)C([O-])=C1)C(C)C(=O)[O-]	REAL300004383337	0	32	-2.0	-96.37	293.61	5.32	-91.05
CCCN(C(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(C)C(=O)[O-]	REAL300004383370	0	43	-2.0	-140.24	352.47	7.96	-132.28
CCCN(C(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(C)C(=O)[O-]	REAL300004383371	0	46	-2.0	-132.11	372.38	8.16	-123.95
CCCN(C(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(C)C(=O)[O-]	REAL300004383399	1	46	-2.0	-115.97	379.74	6.22	-109.75
CCCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(C)C(=O)[O-]	REAL300004383426	0	33	-2.0	-109.69	286.87	5.66	-104.03
CCCN(C(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(C)C(=O)[O-]	REAL300004383486	1	40	-2.0	-100.60	339.48	6.95	-93.65
CCCN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(C)C(=O)[O-]	REAL300004383489	0	43	-2.0	-131.53	344.73	8.10	-123.43
CCCN(C(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(C)C(=O)[O-]	REAL300004383493	0	44	-2.0	-134.86	357.30	6.62	-128.24
CCCN(C(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(C)C(=O)[O-]	REAL300004383503	1	37	-2.0	-99.62	317.48	1.13	-98.49
CCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C(=O)[O-]	REAL300004383598	0	36	-2.0	-98.25	305.55	5.50	-92.75
CCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C(=O)[O-]	REAL300004383598	1	36	-2.0	-98.24	305.62	5.52	-92.72
CCCN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(C)C(=O)[O-]	REAL300004383801	1	41	-2.0	-120.24	334.96	5.41	-114.83
CCCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(C)C(=O)[O-]	REAL300004383964	0	33	-2.0	-109.19	295.82	7.29	-101.90
O=C([O-])C1=CC=C(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)N=C1	REAL300004390463	0	39	-2.0	-89.53	329.93	3.75	-85.78
O=C([O-])C1=CC=C(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)N=C1	REAL300004390463	1	39	-2.0	-89.54	329.98	3.77	-85.77
O=C([O-])C1=CC=C(N2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)N=C1	REAL300004390992	0	39	-2.0	-89.48	348.00	5.87	-83.61
O=C([O-])C1=CC=C(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)N=C1	REAL300004391102	0	42	-2.0	-95.51	351.33	4.53	-90.98
O=C([O-])C1=CC=C(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)N=C1	REAL300004391102	1	42	-2.0	-95.53	351.39	4.54	-90.99
O=C([O-])C1=CC=C(N2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)N=C1	REAL300004391134	0	39	-2.0	-91.38	341.76	5.79	-85.59
O=C([O-])C1=CC=C(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)N=C1	REAL300004391302	0	42	-2.0	-84.73	359.12	4.78	-79.95
O=C([O-])C1=CC=C(N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)N=C1	REAL300004391302	1	42	-2.0	-84.73	359.05	4.79	-79.94
O=C([O-])C1=CC=C(N2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)N=C1	REAL300004391542	0	37	-2.0	-90.21	319.82	3.82	-86.39
O=C([O-])C1=CC=C(N2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)N=C1	REAL300004391885	0	39	-2.0	-97.18	360.02	6.74	-90.44
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)=C1	REAL300004409865	0	42	-2.0	-111.98	361.84	3.09	-108.89
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2	REAL300004410163	0	42	-2.0	-112.45	361.84	3.31	-109.14
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)C=C1	REAL300004410209	1	44	-2.0	-114.64	382.72	8.70	-105.94
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)O1	REAL300004410635	1	45	-2.0	-127.68	381.70	2.11	-125.57
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)O1	REAL300004410636	1	36	-2.0	-126.42	328.07	-0.44	-126.86
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2	REAL300004410899	0	39	-2.0	-111.05	340.40	2.41	-108.64
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)=CS1	REAL300004411244	1	43	-2.0	-103.15	373.06	4.01	-99.14
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2	REAL300004411477	0	39	-2.0	-108.49	346.86	2.49	-106.00
CC1=C(CC(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004411480	1	45	-2.0	-114.76	383.03	4.20	-110.56
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2=C(C1)C(C(=O)[O-])=NN2	REAL300004411483	0	45	-2.0	-112.96	383.34	4.10	-108.86
CC1=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004411564	1	45	-2.0	-123.35	373.53	3.84	-119.51
O=C([O-])C1=NNC2=C1CN(C(=O)C1=CC=C([O-])C(F)=C1)CC2	REAL300004412628	1	32	-2.0	-111.68	284.21	3.50	-108.18
O=C([O-])C1=NNC2=C1CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC2	REAL300004412639	1	35	-2.0	-108.32	316.48	5.02	-103.30
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)C=N1	REAL300004412746	0	38	-2.0	-111.24	337.88	1.54	-109.70
O=C([O-])C1=NNC2=C1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CC2	REAL300004412782	1	37	-2.0	-118.94	323.83	2.96	-115.98
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4)=N2)=C1	REAL300004412842	0	48	-2.0	-126.77	394.13	7.15	-119.62
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4)=N2)C=C1	REAL300004412843	0	48	-2.0	-122.34	392.12	7.09	-115.25
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)=N1	REAL300004412939	0	42	-2.0	-116.40	362.63	6.31	-110.09
O=C([O-])C1=NNC2=C1CN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CC2	REAL300004412944	0	39	-2.0	-116.10	340.93	5.31	-110.79
O=C([O-])C1=NNC2=C1CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)CC2	REAL300004412986	1	37	-2.0	-118.86	315.83	6.48	-112.38
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4)=N2)=C1	REAL300004413153	0	42	-2.0	-122.92	356.69	5.83	-117.09
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)=N1	REAL300004413154	0	45	-2.0	-121.42	376.47	6.97	-114.45
CC1=C(CC(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004413232	1	45	-2.0	-113.26	383.21	4.18	-109.08
O=C([O-])C1=NNC2=C1CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC2	REAL300004413294	0	32	-2.0	-109.82	299.01	4.00	-105.82
COC1=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)NC(=O)[N-]C1=O	REAL300004413311	1	35	-2.0	-116.22	313.15	-1.99	-118.21
O=C([O-])C1=NNC2=C1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300004413416	0	35	-2.0	-98.45	303.66	2.71	-95.74
O=C([O-])C1=NNC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300004413416	1	35	-2.0	-98.44	303.72	2.73	-95.71
O=C([O-])C1=NNC2=C1CN(C(=O)C1=CC=C([O-])C(Cl)=C1)CC2	REAL300004413453	0	32	-2.0	-108.58	294.01	3.97	-104.61
CCOC1=CC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)=CC(Cl)=C1[O-]	REAL300004413457	1	39	-2.0	-111.44	343.91	4.99	-106.45
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC4=C(C3)C(C(=O)[O-])=NN4)=N2)C=C1	REAL300004413467	0	43	-2.0	-123.31	364.11	4.54	-118.77
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)=CO1	REAL300004413491	1	36	-2.0	-120.34	327.08	-0.70	-121.04
CC1=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)C2=C([N-]C=NC2=O)O1	REAL300004413598	0	36	-2.0	-120.13	321.48	1.31	-118.82
O=C([O-])C1=NNC2=C1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300004413660	0	35	-2.0	-105.47	311.02	2.98	-102.49
O=C([O-])C1=NNC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300004413660	1	35	-2.0	-105.44	311.09	2.98	-102.46
COCC1=NC=C(C(=O)N2CCC3=C(C2)C(C(=O)[O-])=NN3)C(=O)[N-]1	REAL300004413996	1	37	-2.0	-118.56	326.13	0.55	-118.01
O=C([O-])C1=NNC2=C1CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CC2	REAL300004414044	1	40	-2.0	-123.86	331.96	3.39	-120.47
O=C([O-])C1=NNC2=C1CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300004414369	0	32	-2.0	-106.70	309.83	5.48	-101.22
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300004416225	0	40	-2.0	-95.26	359.35	3.08	-92.18
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C=N1	REAL300004416546	0	40	-2.0	-96.24	359.42	3.30	-92.94
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=CC=C(C(=O)[O-])C=N2)C=C1	REAL300004416597	1	42	-2.0	-99.38	381.41	8.22	-91.16
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=N2)O1	REAL300004417046	1	43	-2.0	-92.10	385.16	1.54	-90.56
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=N2)O1	REAL300004417047	1	34	-2.0	-91.61	330.40	-0.90	-92.51
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C=N1	REAL300004417322	0	37	-2.0	-94.94	337.96	2.41	-92.53
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=CC=C(C(=O)[O-])C=N2)=CS1	REAL300004417693	1	41	-2.0	-95.97	372.16	3.51	-92.46
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=CC=C(C(=O)[O-])C=N1	REAL300004417932	0	37	-2.0	-90.22	344.36	2.46	-87.76
CC1=C(CC(=O)NCC2=CC=C(C(=O)[O-])C=N2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004417935	1	43	-2.0	-102.34	382.08	3.66	-98.68
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=CC=C(C(=O)[O-])C=N1	REAL300004417938	0	43	-2.0	-96.67	380.92	4.09	-92.58
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])C=N2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004418019	1	43	-2.0	-94.15	362.32	3.89	-90.26
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=CC=C(C(=O)[O-])C=N1	REAL300004418841	0	43	-2.0	-99.49	383.84	4.66	-94.83
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])N=C1	REAL300004419044	1	33	-2.0	-94.09	314.10	5.88	-88.21
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=N2)C=N1	REAL300004419153	0	36	-2.0	-94.27	339.00	1.42	-92.85
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)N=C1	REAL300004419186	1	35	-2.0	-92.84	316.82	2.84	-90.00
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C=N3)=N2)=C1	REAL300004419244	0	46	-2.0	-107.45	398.54	6.47	-100.98
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C=N3)=N2)C=C1	REAL300004419245	0	46	-2.0	-106.05	398.53	6.47	-99.58
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])C=N2)=N1	REAL300004419331	0	40	-2.0	-103.04	366.07	5.58	-97.46
O=C([O-])C1=CC=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])N=C1	REAL300004419336	0	37	-2.0	-106.01	344.75	4.62	-101.39
O=C([O-])C1=CC=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)N=C1	REAL300004419365	1	35	-2.0	-104.50	317.91	5.50	-99.00
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(I)C([O-])=C2)N=C1	REAL300004419442	0	29	-2.0	-86.63	299.47	2.46	-84.17
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C=N3)=N2)=C1	REAL300004419510	0	40	-2.0	-109.83	363.09	5.20	-104.63
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C(=O)[O-])C=N2)=N1	REAL300004419511	0	43	-2.0	-106.79	372.46	6.36	-100.43
CC1=C(CC(=O)NCC2=CC=C(C(=O)[O-])C=N2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004419581	1	43	-2.0	-101.14	382.27	3.66	-97.48
O=C([O-])C1=CC=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)N=C1	REAL300004419630	0	30	-2.0	-87.99	299.77	3.89	-84.10
COC1=C(C(=O)NCC2=CC=C(C(=O)[O-])C=N2)NC(=O)[N-]C1=O	REAL300004419641	1	33	-2.0	-91.49	305.74	-1.02	-92.51
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)N=C1	REAL300004419759	0	30	-2.0	-87.53	293.56	3.83	-83.70
CCOC1=CC(C(=O)NCC2=CC=C(C(=O)[O-])C=N2)=CC(Cl)=C1[O-]	REAL300004419763	1	37	-2.0	-92.00	344.61	4.87	-87.13
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=CC=C(C(=O)[O-])C=N3)=N2)C=C1	REAL300004419775	0	41	-2.0	-106.21	367.82	3.85	-102.36
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=CC=C(C(=O)[O-])C=N2)=CO1	REAL300004419797	1	34	-2.0	-91.77	329.53	-0.92	-92.69
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=C1	REAL300004419950	0	33	-2.0	-85.13	313.31	1.98	-83.15
O=C([O-])C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=C1	REAL300004419950	1	33	-2.0	-85.11	313.37	1.98	-83.13
COCC1=NC=C(C(=O)NCC2=CC=C(C(=O)[O-])C=N2)C(=O)[N-]1	REAL300004420262	1	35	-2.0	-92.05	318.66	0.49	-91.56
O=C([O-])C1=CC=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)N=C1	REAL300004420307	1	38	-2.0	-92.96	332.57	3.39	-89.57
O=C([O-])C1=CC=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])N=C1	REAL300004420603	0	30	-2.0	-91.17	308.16	5.92	-85.25
CC1=C(C(=O)NCC2=CC=C(C(=O)[O-])C=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004420887	0	38	-2.0	-97.42	342.53	2.97	-94.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2OC(C)C)O1	REAL300004422248	1	42	-2.0	-92.25	371.42	3.07	-89.18
COC1=CC=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2OC(C)C)C([O-])=C1	REAL300004423197	1	42	-2.0	-106.97	346.00	8.06	-98.91
CC(C)OC1=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=CC=C1C(=O)[O-]	REAL300004423636	1	38	-2.0	-92.77	324.09	7.38	-85.39
CC(C)OC1=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=CC=C1C(=O)[O-]	REAL300004423648	1	41	-2.0	-98.93	355.04	9.73	-89.20
CC(C)OC1=C(NC(=O)CCC2=N[N-]N=N2)C=CC=C1C(=O)[O-]	REAL300004423689	0	38	-2.0	-89.95	321.47	5.44	-84.51
CC(C)OC1=C(NC(=O)CCC2=NN=N[N-]2)C=CC=C1C(=O)[O-]	REAL300004423689	1	38	-2.0	-89.91	321.53	5.46	-84.45
CC(C)OC1=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=CC=C1C(=O)[O-]	REAL300004423751	0	44	-2.0	-95.68	380.05	5.38	-90.30
CC(C)OC1=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=CC=C1C(=O)[O-]	REAL300004423773	1	43	-2.0	-97.14	354.48	6.84	-90.30
CC(C)OC1=C(NC(=O)C2=CN=CC([O-])=C2)C=CC=C1C(=O)[O-]	REAL300004423805	1	37	-2.0	-92.57	313.67	5.39	-87.18
CC(C)OC1=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=CC=C1C(=O)[O-]	REAL300004423887	0	45	-2.0	-110.92	384.66	8.26	-102.66
CC(C)OC1=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=CC=C1C(=O)[O-]	REAL300004423918	0	43	-2.0	-110.38	358.81	9.35	-101.03
CC(C)OC1=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300004424155	0	38	-2.0	-89.81	342.91	7.71	-82.10
CC(C)OC1=C(NC(=O)CCCC2=N[N-]N=N2)C=CC=C1C(=O)[O-]	REAL300004424243	0	41	-2.0	-97.12	343.64	6.14	-90.98
CC(C)OC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CC=C1C(=O)[O-]	REAL300004424243	1	41	-2.0	-97.16	343.69	6.15	-91.01
CC(C)OC1=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300004424273	0	38	-2.0	-89.97	335.87	7.78	-82.19
CCOC1=CC(C(=O)NC2=CC=CC(C(=O)[O-])=C2OC(C)C)=CC(Cl)=C1[O-]	REAL300004424277	1	45	-2.0	-93.93	387.75	8.68	-85.25
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(C(=O)[O-])=C2OC(C)C)=CO1	REAL300004424298	1	42	-2.0	-94.26	370.71	3.06	-91.20
CC(C)OC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CC=C1C(=O)[O-]	REAL300004424432	0	41	-2.0	-88.15	353.13	5.64	-82.51
CC(C)OC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CC=C1C(=O)[O-]	REAL300004424432	1	41	-2.0	-88.13	353.03	5.62	-82.51
CC(C)OC1=C(NC(=O)C2=C[N-]N=CC2=O)C=CC=C1C(=O)[O-]	REAL300004424651	0	36	-2.0	-88.69	305.82	5.84	-82.85
COCC1=NC=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2OC(C)C)C(=O)[N-]1	REAL300004424674	1	43	-2.0	-95.98	356.56	4.43	-91.55
CC(C)OC1=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=CC=C1C(=O)[O-]	REAL300004424716	1	46	-2.0	-97.94	372.18	7.44	-90.50
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CC(C)[C@]1(C(=O)NCC2=CC(Cl)=CC(Cl)=C2[O-])C[C@H]1C(=O)[O-]	REAL300004476677	0	37	-2.0	-104.59	342.07	6.35	-98.24
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CC1=COC(CC(=O)[O-])=C1C(=O)NC1=CC=C([O-])C(F)=C1F	REAL300004532952	1	31	-2.0	-100.35	296.84	4.69	-95.66
O=C([O-])C1CCC(CC(=O)NC2=CC=C([O-])C(F)=C2F)CC1	REAL300004532953	1	37	-2.0	-96.53	306.43	5.89	-90.64
O=C([O-])C12CCC(C(=O)NC3=CC=C([O-])C(F)=C3F)(CC1)C2	REAL300004532954	1	35	-2.0	-95.77	302.11	5.54	-90.23
O=C([O-])C12CCC(C(=O)NC3=CC=C([O-])C(F)=C3F)(CC1)CC2	REAL300004532955	1	38	-2.0	-90.90	311.97	6.04	-84.86
O=C([O-])C1=C2N=CC=C(C(=O)NC3=CC=C([O-])C(F)=C3F)N2N=C1	REAL300004532956	1	30	-2.0	-100.49	290.22	4.46	-96.03
O=C([O-])CC1=C(C(=O)NC2=CC=C([O-])C(F)=C2F)NC2=CC=CC=C21	REAL300004532957	1	35	-2.0	-107.84	320.49	5.87	-101.97
O=C([O-])C1=CC=C2CCCC(CC(=O)NC3=CC=C([O-])C(F)=C3F)C2=C1	REAL300004532958	1	41	-2.0	-98.57	345.99	8.08	-90.49
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC=C([O-])C(F)=C2F)O1	REAL300004532959	1	29	-2.0	-92.55	287.90	4.75	-87.80
O=C([O-])C1(C(=O)NC2=CC=C([O-])C(F)=C2F)CC2(CCC2)C1	REAL300004532960	1	35	-2.0	-93.04	298.71	5.83	-87.21
O=C([O-])COC1=CC=C(C(=O)NC2=CC=C([O-])C(F)=C2F)C=C1	REAL300004532961	1	32	-2.0	-90.11	299.36	5.44	-84.67
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC=C([O-])C(F)=C2F)C1	REAL300004532962	1	37	-2.0	-99.83	336.54	5.74	-94.09
C[C@@H]1C[C@H](C(=O)NC2=CC=C([O-])C(F)=C2F)O[C@H]1C(=O)[O-]	REAL300004532963	1	32	-2.0	-98.19	289.80	4.56	-93.63
O=C([O-])CC1=CC=C(C(=O)NC2=CC=C([O-])C(F)=C2F)C=C1	REAL300004532964	1	31	-2.0	-91.08	290.54	5.94	-85.14
O=C([O-])C=CC1=CC=C(C(=O)NC2=CC=C([O-])C(F)=C2F)C=C1	REAL300004532965	1	32	-2.0	-92.05	300.43	6.46	-85.59
O=C([O-])C1=COC(C=CC(=O)NC2=CC=C([O-])C(F)=C2F)=C1	REAL300004532966	1	29	-2.0	-91.81	287.41	4.61	-87.20
O=C([O-])CCC1=CC=CC=C1C(=O)NC1=CC=C([O-])C(F)=C1F	REAL300004532967	1	34	-2.0	-110.77	303.09	6.69	-104.08
O=C([O-])C1=C(COCC(=O)NC2=CC=C([O-])C(F)=C2F)OC=N1	REAL300004532968	1	31	-2.0	-109.27	301.13	0.81	-108.46
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C([O-])C(F)=C2F)O1	REAL300004532969	1	29	-2.0	-92.38	288.94	4.97	-87.41
CC1=CC=C(C(=O)NC2=CC=C([O-])C(F)=C2F)C=C1C(=O)[O-]	REAL300004532970	1	31	-2.0	-98.86	283.03	5.70	-93.16
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1=CC=C([O-])C(F)=C1F	REAL300004532971	1	30	-2.0	-87.85	279.42	4.02	-83.83
O=C([O-])C1=NN(CCCC(=O)NC2=CC=C([O-])C(F)=C2F)C=C1	REAL300004532972	1	34	-2.0	-114.89	318.04	4.70	-110.19
O=C([O-])CC[C@@H]1CC[C@H](C(=O)NC2=CC=C([O-])C(F)=C2F)O1	REAL300004532973	1	35	-2.0	-102.18	311.93	4.99	-97.19
O=C([O-])[C@@H]1CO[C@H](CCC(=O)NC2=CC=C([O-])C(F)=C2F)C1	REAL300004532974	1	35	-2.0	-94.15	310.56	3.97	-90.18
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)NC1=CC=C([O-])C(F)=C1F	REAL300004532975	1	36	-2.0	-111.20	298.90	6.41	-104.79
O=C([O-])C1CCCN(CC(=O)NC2=CC=C([O-])C(F)=C2F)C1	REAL300004532976	1	36	-2.0	-91.37	307.55	3.20	-88.17
O=C([O-])C1(C(=O)NC2=CC=C([O-])C(F)=C2F)CC1C1=CC=CC=C1	REAL300004532977	1	35	-2.0	-92.74	310.17	7.13	-85.61
O=C([O-])CC1=C(C(=O)NC2=CC=C([O-])C(F)=C2F)NC2=CC=CC=C21	REAL300004532978	1	35	-2.0	-107.84	320.49	5.87	-101.97
O=C([O-])C1=CN(CC(=O)NC2=CC=C([O-])C(F)=C2F)C2=CC=CC=C12	REAL300004532979	1	35	-2.0	-110.12	326.38	7.29	-102.83
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1=CC=C([O-])C(F)=C1F	REAL300004532980	1	31	-2.0	-94.21	283.98	5.85	-88.36
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1=CC=C([O-])C(F)=C1F	REAL300004532981	1	30	-2.0	-88.83	273.84	3.93	-84.90
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1=CC=C([O-])C(F)=C1F	REAL300004532982	1	31	-2.0	-89.45	283.33	5.84	-83.61
O=C([O-])C1=CC=C(C(=O)NC2=CC=C([O-])C(F)=C2F)C(Cl)=C1	REAL300004532983	1	28	-2.0	-88.08	280.83	5.67	-82.41
O=C([O-])C1CC2(C1)CC(C(=O)NC1=CC=C([O-])C(F)=C1F)C2	REAL300004532984	1	35	-2.0	-94.16	308.51	6.03	-88.13
COC1=CC(C(=O)[O-])=NC(C(=O)NC2=CC=C([O-])C(F)=C2F)=C1	REAL300004532985	1	31	-2.0	-93.26	296.20	2.76	-90.50
O=C([O-])CCC1=CC=C(C(=O)NC2=CC=C([O-])C(F)=C2F)C=C1	REAL300004532986	1	34	-2.0	-90.04	311.93	6.75	-83.29
O=C([O-])C1C(F)(F)C12CC(C(=O)NC1=CC=C([O-])C(F)=C1F)C2	REAL300004532987	1	32	-2.0	-91.03	302.44	5.66	-85.37
O=C([O-])C1=NC(C(=O)NC2=CC=C([O-])C(F)=C2F)=CS1	REAL300004532988	1	24	-2.0	-90.74	257.22	2.30	-88.44
CC1=C(C(=O)NC2=CC=C([O-])C(F)=C2F)C=C(C(=O)[O-])S1	REAL300004532989	1	28	-2.0	-91.73	277.61	5.00	-86.73
O=C([O-])C1=CC2=C(S1)SC(C(=O)NC1=CC=C([O-])C(F)=C1F)=C2	REAL300004532990	1	28	-2.0	-88.15	298.17	5.75	-82.40
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)NC2=CC=C([O-])C(F)=C2F)=C1	REAL300004532991	1	32	-2.0	-94.15	306.07	4.84	-89.31
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1=CC=C([O-])C(F)=C1F	REAL300004532992	1	31	-2.0	-91.48	296.36	5.59	-85.89
O=C([O-])C1=C2C=C(C(=O)NC3=CC=C([O-])C(F)=C3F)SC2=CC=C1	REAL300004532993	1	31	-2.0	-102.35	303.51	6.43	-95.92
O=C([O-])C1=NC=CC=C1CCC(=O)NC1=CC=C([O-])C(F)=C1F	REAL300004532994	1	33	-2.0	-105.01	300.54	4.62	-100.39
O=C([O-])C1=CC=C(/C=C/C(=O)NC2=CC=C([O-])C(F)=C2F)C=C1	REAL300004532995	1	32	-2.0	-93.99	302.85	6.36	-87.63
O=C([O-])C1(C(=O)NC2=CC=C([O-])C(F)=C2F)CC2(CCC2)C1	REAL300004532996	1	35	-2.0	-93.04	298.71	5.83	-87.21
O=C([O-])C1=CSC2=C1NC(C(=O)NC1=CC=C([O-])C(F)=C1F)=C2	REAL300004532997	1	29	-2.0	-92.95	292.73	4.18	-88.77
O=C([O-])C1=CC2=C(C=C(C(=O)NC3=CC=C([O-])C(F)=C3F)N2)S1	REAL300004532998	1	29	-2.0	-88.67	292.91	4.31	-84.36
O=C([O-])C1=COC2=C1NC(C(=O)NC1=CC=C([O-])C(F)=C1F)=C2	REAL300004532999	1	29	-2.0	-91.43	284.08	3.32	-88.11
CC1=C(C(=O)[O-])C=CC=C1C(=O)NC1=CC=C([O-])C(F)=C1F	REAL300004533000	1	31	-2.0	-95.83	278.76	5.70	-90.13
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C([O-])C(F)=C2F)C=N1	REAL300004533001	1	31	-2.0	-96.17	298.63	4.58	-91.59
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=C([O-])C(F)=C1F	REAL300004533002	1	33	-2.0	-115.40	287.42	3.65	-111.75
O=C([O-])C1=CC=CC2=C(C(=O)NC3=CC=C([O-])C(F)=C3F)C=CC=C12	REAL300004533003	1	34	-2.0	-92.54	304.70	7.22	-85.32
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NC1=CC=C([O-])C(F)=C1F	REAL300004533004	1	34	-2.0	-103.44	308.93	6.31	-97.13
O=C([O-])C1=CSC(CC(=O)NC2=CC=C([O-])C(F)=C2F)=C1	REAL300004533005	1	28	-2.0	-103.82	284.57	4.98	-98.84
O=C([O-])C1=CC=C(CC(=O)NC2=CC=C([O-])C(F)=C2F)C=C1F	REAL300004533006	1	31	-2.0	-105.08	297.57	5.87	-99.21
O=C([O-])C1=C2CCCCC2=C(C(=O)NC2=CC=C([O-])C(F)=C2F)S1	REAL300004533007	1	35	-2.0	-89.76	317.35	6.69	-83.07
O=C([O-])C12CCC(C(=O)NC3=CC=C([O-])C(F)=C3F)(CC1)CC2	REAL300004533008	1	38	-2.0	-90.90	311.97	6.04	-84.86
O=C([O-])C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300004537707	1	43	-2.0	-92.18	371.45	7.21	-84.97
O=C([O-])C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300004537760	0	43	-2.0	-87.90	370.83	5.66	-82.24
O=C([O-])C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300004537760	1	43	-2.0	-87.88	370.88	5.68	-82.20
O=C([O-])C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300004537799	1	42	-2.0	-92.54	358.86	5.16	-87.38
O=C([O-])C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300004537971	0	46	-2.0	-96.25	392.30	6.42	-89.83
O=C([O-])C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300004537971	1	46	-2.0	-96.24	392.36	6.43	-89.81
O=C([O-])C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300004538093	0	41	-2.0	-91.96	360.09	5.59	-86.37
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCN2CCOCC2)CC(=O)[O-])O1	REAL300004544199	1	44	-2.0	-109.43	378.85	-0.71	-110.14
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CCN2CCOCC2)CC(=O)[O-])=CS1	REAL300004544604	1	51	-2.0	-99.94	424.76	3.66	-96.28
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300004545634	1	40	-2.0	-100.21	327.09	2.82	-97.39
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004545646	1	43	-2.0	-118.81	369.24	4.39	-114.42
O=C([O-])CN(CCN1CCOCC1)C(=O)CCC1=N[N-]N=N1	REAL300004545683	0	40	-2.0	-96.09	333.82	1.55	-94.54
O=C([O-])CN(CCN1CCOCC1)C(=O)CCC1=NN=N[N-]1	REAL300004545683	1	40	-2.0	-96.06	333.88	1.57	-94.49
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CCN2CCOCC2)CC(=O)[O-])C=N1	REAL300004545747	0	46	-2.0	-102.13	382.23	0.93	-101.20
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004545771	1	45	-2.0	-106.50	365.19	1.95	-104.55
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004545888	0	47	-2.0	-124.88	390.12	4.91	-119.97
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004545919	1	45	-2.0	-125.14	365.58	6.47	-118.67
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004546151	0	40	-2.0	-97.74	343.09	3.37	-94.37
COC1=C(C(=O)N(CCN2CCOCC2)CC(=O)[O-])NC(=O)[N-]C1=O	REAL300004546163	1	43	-2.0	-100.36	364.05	-2.35	-102.71
O=C([O-])CN(CCN1CCOCC1)C(=O)CCCC1=N[N-]N=N1	REAL300004546242	0	43	-2.0	-95.17	355.32	2.33	-92.84
O=C([O-])CN(CCN1CCOCC1)C(=O)CCCC1=NN=N[N-]1	REAL300004546242	1	43	-2.0	-95.18	355.38	2.35	-92.83
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004546274	0	40	-2.0	-98.59	336.89	3.29	-95.30
CCOC1=CC(C(=O)N(CCN2CCOCC2)CC(=O)[O-])=CC(Cl)=C1[O-]	REAL300004546277	1	47	-2.0	-105.47	387.94	4.35	-101.12
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCN2CCOCC2)CC(=O)[O-])=CO1	REAL300004546298	1	44	-2.0	-94.39	374.28	-1.14	-95.53
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004546437	0	43	-2.0	-95.22	361.05	2.88	-92.34
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004546437	1	43	-2.0	-95.20	361.12	2.88	-92.32
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=C[N-]N=CC1=O	REAL300004546660	0	38	-2.0	-108.41	322.89	1.60	-106.81
COCC1=NC=C(C(=O)N(CCN2CCOCC2)CC(=O)[O-])C(=O)[N-]1	REAL300004546683	1	45	-2.0	-109.82	371.13	-0.08	-109.90
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004546725	1	48	-2.0	-123.78	390.81	3.07	-120.71
O=C([O-])CN(CCN1CCOCC1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004546958	0	40	-2.0	-118.05	359.41	4.22	-113.83
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300004549874	0	33	-2.0	-92.82	309.54	0.57	-92.25
NS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)=CC=C1[O-]	REAL300004549875	0	37	-2.0	-100.82	340.39	0.87	-99.95
NS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300004549876	0	33	-2.0	-105.27	309.32	0.57	-104.70
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1[O-]	REAL300004549877	0	30	-2.0	-89.72	303.55	-0.25	-89.97
NS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(C(=O)[O-])=N2)=CC=C1[O-]	REAL300004549878	0	32	-2.0	-97.41	307.36	-1.12	-98.53
CC(SC1=CC=CC=C1C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1)C(=O)[O-]	REAL300004549879	0	40	-2.0	-110.08	361.57	2.33	-107.75
NS(=O)(=O)C1=CC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300004549880	0	39	-2.0	-97.60	355.33	2.09	-95.51
NS(=O)(=O)C1=CC(NC(=O)C2=CC=NC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300004549881	0	32	-2.0	-103.03	305.34	-1.17	-104.20
NS(=O)(=O)C1=CC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300004549882	0	37	-2.0	-96.24	343.81	1.78	-94.46
NS(=O)(=O)C1=CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1[O-]	REAL300004549883	0	35	-2.0	-87.14	337.46	1.26	-85.88
NS(=O)(=O)C1=CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1[O-]	REAL300004549884	0	35	-2.0	-87.14	337.46	1.26	-85.88
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])O2)=CC=C1[O-]	REAL300004549885	0	30	-2.0	-89.73	295.73	-1.02	-90.75
NS(=O)(=O)C1=CC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])=CC=C1[O-]	REAL300004549886	0	39	-2.0	-105.06	346.51	1.83	-103.23
CC1=CC(C(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)=CC(C)=C1OCC(=O)[O-]	REAL300004549887	0	43	-2.0	-93.91	382.34	2.30	-91.61
NS(=O)(=O)C1=CC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300004549888	0	36	-2.0	-114.84	333.99	1.26	-113.58
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC2)=CC=C1[O-]	REAL300004549889	0	30	-2.0	-96.95	282.37	-0.89	-97.84
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC2)=CC=C1[O-]	REAL300004549890	0	30	-2.0	-96.95	282.37	-0.89	-97.84
NS(=O)(=O)C1=CC(NC(=O)C2CCCC(C(=O)[O-])C2)=CC=C1[O-]	REAL300004549891	0	39	-2.0	-108.77	329.10	0.68	-108.09
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])N=C2)=CC=C1[O-]	REAL300004549892	0	32	-2.0	-93.10	305.18	-1.19	-94.29
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)=CC=C1[O-]	REAL300004549893	0	32	-2.0	-87.86	307.00	-1.15	-89.01
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549894	0	38	-2.0	-96.93	318.47	0.02	-96.91
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1[O-]	REAL300004549895	0	33	-2.0	-91.77	313.77	0.67	-91.10
NS(=O)(=O)C1=CC(NC(=O)C2=CN=C(C(=O)[O-])C=N2)=CC=C1[O-]	REAL300004549896	0	31	-2.0	-88.10	302.58	-3.01	-91.11
NS(=O)(=O)C1=CC(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)=CC=C1[O-]	REAL300004549897	0	39	-2.0	-93.61	334.60	0.79	-92.82
NS(=O)(=O)C1=CC(NC(=O)C2CCC(C(=O)[O-])CC2)=CC=C1[O-]	REAL300004549898	0	39	-2.0	-120.04	329.14	0.66	-119.38
NS(=O)(=O)C1=CC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300004549899	0	36	-2.0	-105.93	333.99	1.28	-104.65
NS(=O)(=O)C1=CC(NC(=O)CN2C=C(C(=O)[O-])N=N2)=CC=C1[O-]	REAL300004549900	0	32	-2.0	-117.47	311.13	-2.75	-120.22
CC1=NC(C(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300004549901	0	35	-2.0	-86.42	323.25	-0.62	-87.04
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300004549902	0	33	-2.0	-92.82	309.54	0.57	-92.25
NS(=O)(=O)C1=CC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1[O-]	REAL300004549903	0	36	-2.0	-105.19	316.66	0.18	-105.01
NS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)=CC=C1[O-]	REAL300004549904	0	36	-2.0	-102.06	331.49	1.36	-100.70
NS(=O)(=O)C1=CC(NC(=O)C2=C(CC(=O)[O-])OC=C2)=CC=C1[O-]	REAL300004549905	0	33	-2.0	-117.26	312.07	-0.51	-117.77
CC1=COC(CC(=O)[O-])=C1C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549906	0	36	-2.0	-109.86	338.88	0.12	-109.74
NS(=O)(=O)C1=CC(NC(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1[O-]	REAL300004549907	0	32	-2.0	-96.01	307.18	-1.12	-97.13
NS(=O)(=O)C1=CC(NC(=O)C23CC(C(=O)[O-])(C2)C3)=CC=C1[O-]	REAL300004549908	0	34	-2.0	-95.69	312.74	0.17	-95.52
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CCC2)=CC=C1[O-]	REAL300004549909	0	33	-2.0	-98.24	295.92	-0.48	-98.72
CC(C)(C(=O)[O-])C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549910	0	32	-2.0	-110.98	289.05	-0.28	-111.26
NS(=O)(=O)C1=CC(NC(=O)CC2CCC(C(=O)[O-])CC2)=CC=C1[O-]	REAL300004549911	0	42	-2.0	-107.37	354.41	1.52	-105.85
NS(=O)(=O)C1=CC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)=CC=C1[O-]	REAL300004549912	0	40	-2.0	-107.07	343.42	1.00	-106.07
NS(=O)(=O)C1=CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)=CC=C1[O-]	REAL300004549913	0	43	-2.0	-93.55	352.89	1.47	-92.08
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549914	0	38	-2.0	-96.93	318.47	0.02	-96.91
NS(=O)(=O)C1=CC(NC(=O)CCCC(=O)[O-])=CC=C1[O-]	REAL300004549915	0	32	-2.0	-101.67	296.12	-0.80	-102.47
CC(CC(=O)[O-])CC(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549916	0	35	-2.0	-99.48	308.67	-0.35	-99.83
NS(=O)(=O)C1=CC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)=CC=C1[O-]	REAL300004549917	0	35	-2.0	-101.48	331.45	-0.11	-101.59
NS(=O)(=O)C1=CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)=CC=C1[O-]	REAL300004549918	0	40	-2.0	-112.01	361.69	1.29	-110.72
NS(=O)(=O)C1=CC(NC(=O)C2=NOC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300004549919	0	29	-2.0	-85.08	290.12	-1.84	-86.92
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CCCC2)=CC=C1[O-]	REAL300004549920	0	36	-2.0	-96.80	311.07	0.16	-96.64
CC1=C(C(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)C=C(C(=O)[O-])O1	REAL300004549921	0	33	-2.0	-92.40	312.40	-0.26	-92.66
CC1=C(C(=O)[O-])OC(C(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)=C1	REAL300004549922	0	33	-2.0	-92.24	313.65	-0.43	-92.67
NS(=O)(=O)C1=CC(NC(=O)CN2C=C(C(=O)[O-])C=N2)=CC=C1[O-]	REAL300004549923	0	33	-2.0	-113.15	315.98	-1.25	-114.40
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)=CC=C1[O-]	REAL300004549924	0	34	-2.0	-94.07	329.13	0.16	-93.91
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)=CC=C1[O-]	REAL300004549925	0	40	-2.0	-100.76	340.96	1.25	-99.51
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1[O-]	REAL300004549926	0	37	-2.0	-93.05	340.29	0.86	-92.19
NS(=O)(=O)C1=CC(NC(=O)CCSCC(=O)[O-])=CC=C1[O-]	REAL300004549927	0	33	-2.0	-93.25	319.42	-0.22	-93.47
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)=CC=C1[O-]	REAL300004549928	0	32	-2.0	-87.86	307.00	-1.15	-89.01
NS(=O)(=O)C1=CC(NC(=O)COCC(=O)[O-])=CC=C1[O-]	REAL300004549929	0	30	-2.0	-104.57	288.25	-1.64	-106.21
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549930	0	33	-2.0	-98.63	309.79	-1.51	-100.14
C[C@@H]1C[C@H](C(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)O[C@H]1C(=O)[O-]	REAL300004549931	0	37	-2.0	-108.63	331.82	0.00	-108.63
CC(C)(CCC(=O)[O-])C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549932	0	38	-2.0	-107.58	327.26	0.13	-107.45
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1[O-]	REAL300004549933	0	36	-2.0	-93.66	331.47	1.37	-92.29
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1[O-]	REAL300004549934	0	37	-2.0	-97.83	341.61	1.88	-95.95
NS(=O)(=O)C1=CC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)=CC=C1[O-]	REAL300004549935	0	34	-2.0	-97.81	328.60	0.05	-97.76
NS(=O)(=O)C1=CC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])=CC=C1[O-]	REAL300004549936	0	39	-2.0	-121.66	343.99	2.08	-119.58
NS(=O)(=O)C1=CC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)=CC=C1[O-]	REAL300004549937	0	36	-2.0	-111.72	342.08	-3.75	-115.47
NS(=O)(=O)C1=CC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)=CC=C1[O-]	REAL300004549938	0	34	-2.0	-94.02	329.84	0.40	-93.62
NS(=O)(=O)C1=CC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1[O-]	REAL300004549939	0	36	-2.0	-105.19	316.66	0.18	-105.01
CC1=CC=C(C(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300004549940	0	36	-2.0	-109.47	325.38	1.13	-108.34
NS(=O)(=O)C1=CC(NC(=O)C2=CN=CC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300004549941	0	32	-2.0	-95.16	304.48	-1.22	-96.38
CC1=NC=C(C(=O)[O-])C=C1C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549942	0	35	-2.0	-89.49	320.58	-0.56	-90.05
NS(=O)(=O)C1=CC(NC(=O)CN2C=CC(C(=O)[O-])=N2)=CC=C1[O-]	REAL300004549943	0	33	-2.0	-131.53	315.32	-1.24	-132.77
NS(=O)(=O)C1=CC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)=CC=C1[O-]	REAL300004549944	0	39	-2.0	-118.26	358.95	0.14	-118.12
NS(=O)(=O)C1=CC(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])=CC=C1[O-]	REAL300004549945	0	33	-2.0	-106.66	298.12	-0.53	-107.19
NS(=O)(=O)C1=CC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=CC=C1[O-]	REAL300004549946	0	40	-2.0	-110.79	353.29	0.41	-110.38
NS(=O)(=O)C1=CC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)=CC=C1[O-]	REAL300004549947	0	40	-2.0	-98.15	352.12	-0.61	-98.76
NS(=O)(=O)C1=CC(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])=CC=C1[O-]	REAL300004549948	0	33	-2.0	-106.66	298.12	-0.53	-107.19
NS(=O)(=O)C1=CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])=CC=C1[O-]	REAL300004549949	0	30	-2.0	-123.52	281.55	-0.04	-123.56
CC1=C(C(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)OC(C(=O)[O-])=C1	REAL300004549950	0	33	-2.0	-90.58	313.83	-0.35	-90.93
NS(=O)(=O)C1=CC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])=CC=C1[O-]	REAL300004549951	0	41	-2.0	-113.13	341.12	1.64	-111.49
CCC(C(=O)[O-])C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549952	0	32	-2.0	-96.56	294.15	-0.97	-97.53
CC(C)C(C(=O)[O-])C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549953	0	35	-2.0	-101.40	310.56	-0.42	-101.82
NS(=O)(=O)C1=CC(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])=CC=C1[O-]	REAL300004549954	0	39	-2.0	-109.22	323.21	1.22	-108.00
NS(=O)(=O)C1=CC(NC(=O)CN2CCCC(C(=O)[O-])C2)=CC=C1[O-]	REAL300004549955	0	41	-2.0	-98.01	348.50	-1.39	-99.40
NS(=O)(=O)C1=CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])=CC=C1[O-]	REAL300004549956	0	30	-2.0	-95.09	286.46	-0.86	-95.95
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)=CC=C1[O-]	REAL300004549957	0	40	-2.0	-97.85	349.14	2.46	-95.39
NS(=O)(=O)C1=CC(NC(=O)C2=C(CC(=O)[O-])C3=CC=CC=C3N2)=CC=C1[O-]	REAL300004549958	0	40	-2.0	-112.01	361.69	1.29	-110.72
NS(=O)(=O)C1=CC(NC(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)=CC=C1[O-]	REAL300004549959	0	40	-2.0	-122.55	367.33	2.72	-119.83
NS(=O)(=O)C1=CC(NC(=O)C2CC3(CC3C(=O)[O-])C2)=CC=C1[O-]	REAL300004549960	0	37	-2.0	-120.87	329.22	0.88	-119.99
NS(=O)(=O)C1=CC(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1[O-]	REAL300004549961	0	33	-2.0	-104.87	301.08	-0.40	-105.27
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549962	0	39	-2.0	-119.90	337.44	1.62	-118.28
CC1=CC=C(C(=O)[O-])C=C1C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549963	0	36	-2.0	-95.63	325.30	1.26	-94.37
CC1(C(=O)[O-])CC(C(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)C1	REAL300004549964	0	36	-2.0	-95.81	318.75	-0.01	-95.82
NS(=O)(=O)C1=CC(NC(=O)C2=C(C(=O)[O-])SC=C2)=CC=C1[O-]	REAL300004549965	0	30	-2.0	-117.45	298.21	0.33	-117.12
NS(=O)(=O)C1=CC(NC(=O)C2=CC(C(=O)[O-])=NN2)=CC=C1[O-]	REAL300004549966	0	30	-2.0	-95.47	293.18	-2.99	-98.46
CC1=C(C(=O)[O-])C=NC=C1C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549967	0	35	-2.0	-93.69	315.18	-0.66	-94.35
CCCC(C(=O)[O-])C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549968	0	35	-2.0	-97.37	315.70	-0.20	-97.57
CC1=CC(C(=O)[O-])=CC=C1C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549969	0	36	-2.0	-94.89	325.72	1.28	-93.61
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1[O-]	REAL300004549970	0	33	-2.0	-91.12	321.79	1.09	-90.03
NS(=O)(=O)C1=CC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)=CC=C1[O-]	REAL300004549971	0	40	-2.0	-96.15	350.46	1.46	-94.69
COC1=CC(C(=O)[O-])=NC(C(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)=C1	REAL300004549972	0	36	-2.0	-94.73	337.15	-1.80	-96.53
CN1C(C(=O)[O-])=CC=C1C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549973	0	34	-2.0	-93.70	312.14	-0.20	-93.90
NS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC=CC2)=CC=C1[O-]	REAL300004549974	0	34	-2.0	-97.23	305.97	0.06	-97.17
NS(=O)(=O)C1=CC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1[O-]	REAL300004549975	0	39	-2.0	-92.90	352.87	2.17	-90.73
CC1=C(C(=O)[O-])C(C(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)=NN1	REAL300004549976	0	33	-2.0	-120.85	307.16	-1.57	-122.42
NS(=O)(=O)C1=CC(NC(=O)CC2(CC(=O)[O-])CC2)=CC=C1[O-]	REAL300004549977	0	36	-2.0	-103.33	320.59	0.36	-102.97
NS(=O)(=O)C1=CC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)=CC=C1[O-]	REAL300004549978	0	37	-2.0	-94.49	343.38	1.10	-93.39
NS(=O)(=O)C1=CC(NC(=O)C2=CSC(C(=O)[O-])=N2)=CC=C1[O-]	REAL300004549979	0	29	-2.0	-93.20	298.98	-2.28	-95.48
COC(C(=O)[O-])C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549980	0	30	-2.0	-97.78	285.61	-1.80	-99.58
C[C@]1(C(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)C[C@H]1C(=O)[O-]	REAL300004549981	0	33	-2.0	-103.69	302.02	-0.20	-103.89
CC1=C(C(=O)NC2=CC=C([O-])C(S(N)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300004549982	0	33	-2.0	-93.00	319.69	0.44	-92.56
NS(=O)(=O)C1=CC(NC(=O)C2=CC3=C(SC(C(=O)[O-])=C3)S2)=CC=C1[O-]	REAL300004549983	0	33	-2.0	-90.63	339.34	1.17	-89.46
CC1=C(C(=O)[O-])C=CC(F)=C1C(=O)NC1=CC=C([O-])C(S(N)(=O)=O)=C1	REAL300004549984	0	36	-2.0	-92.93	337.57	0.97	-91.96
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CC1=C(CC(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004577545	1	46	-2.0	-125.56	402.63	5.08	-120.48
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=CC=NC=C1)C(=O)[O-]	REAL300004577548	0	46	-2.0	-117.44	399.65	5.52	-111.92
CC1=C(C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300004577629	1	46	-2.0	-109.68	381.75	5.27	-104.41
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300004578695	1	33	-2.0	-98.82	303.09	4.80	-94.02
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004578706	1	36	-2.0	-117.54	332.84	7.30	-110.24
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C=N1	REAL300004578813	0	39	-2.0	-102.31	357.75	2.88	-99.43
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004578849	1	38	-2.0	-108.74	336.46	4.23	-104.51
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC3=CC=NC=C3)C(=O)[O-])=N2)=C1	REAL300004578909	0	49	-2.0	-131.02	418.23	7.85	-123.17
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=CC=NC=C3)C(=O)[O-])=N2)C=C1	REAL300004578910	0	49	-2.0	-129.79	417.27	7.90	-121.89
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300004579005	0	43	-2.0	-126.69	385.70	6.96	-119.73
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004579010	0	40	-2.0	-127.37	364.14	6.06	-121.31
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004579051	1	38	-2.0	-131.97	337.30	6.94	-125.03
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3=CC=NC=C3)C(=O)[O-])=N2)=C1	REAL300004579217	0	43	-2.0	-134.45	382.49	6.65	-127.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=N1	REAL300004579218	0	46	-2.0	-132.77	399.24	7.66	-125.11
CC1=C(CC(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004579296	1	46	-2.0	-124.25	401.66	5.09	-119.16
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004579358	0	33	-2.0	-95.79	318.51	5.32	-90.47
COC1=C(C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300004579374	1	36	-2.0	-97.70	325.54	0.35	-97.35
O=C([O-])C(CC1=CC=NC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300004579477	0	36	-2.0	-104.83	322.28	3.56	-101.27
O=C([O-])C(CC1=CC=NC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300004579477	1	36	-2.0	-104.88	322.34	3.57	-101.31
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004579513	0	33	-2.0	-96.85	313.13	5.22	-91.63
CCOC1=CC(C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004579517	1	40	-2.0	-101.09	363.36	6.30	-94.79
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=CC=NC=C3)C(=O)[O-])=N2)C=C1	REAL300004579527	0	44	-2.0	-129.42	387.39	5.24	-124.18
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])=CO1	REAL300004579551	1	37	-2.0	-102.71	349.10	0.47	-102.24
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004579717	0	36	-2.0	-89.85	332.94	3.37	-86.48
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004579717	1	36	-2.0	-89.89	333.00	3.36	-86.53
COCC1=NC=C(C(=O)NC(CC2=CC=NC=C2)C(=O)[O-])C(=O)[N-]1	REAL300004580052	1	38	-2.0	-107.53	337.48	1.92	-105.61
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004580100	1	41	-2.0	-108.88	352.22	4.77	-104.11
O=C([O-])C(CC1=CC=NC=C1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004580422	0	33	-2.0	-113.21	327.50	7.36	-105.85
O=C([O-])COC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300004585974	0	36	-2.0	-110.03	310.23	4.39	-105.64
O=C([O-])COC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300004585974	1	36	-2.0	-110.02	310.29	4.41	-105.61
CCOC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300004585975	0	43	-2.0	-103.06	354.62	4.56	-98.50
CCOC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300004585975	1	43	-2.0	-103.07	354.69	4.55	-98.52
O=C([O-])C1=CC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300004585976	0	38	-2.0	-102.16	329.20	6.04	-96.12
O=C([O-])C1=CC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300004585976	1	38	-2.0	-102.15	329.26	6.06	-96.09
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300004585977	0	36	-2.0	-101.63	316.64	5.72	-95.91
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300004585977	1	36	-2.0	-101.61	316.70	5.74	-95.87
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300004585978	0	40	-2.0	-103.95	361.79	0.92	-103.03
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300004585978	1	40	-2.0	-103.92	361.84	0.95	-102.97
O=C([O-])C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300004585979	0	34	-2.0	-92.19	307.41	4.77	-87.42
O=C([O-])C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300004585979	1	34	-2.0	-92.21	307.46	4.79	-87.42
O=C([O-])C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300004585980	0	34	-2.0	-92.19	307.41	4.77	-87.42
O=C([O-])C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300004585980	1	34	-2.0	-92.21	307.46	4.79	-87.42
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300004585981	0	42	-2.0	-99.45	354.76	5.71	-93.74
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300004585981	1	42	-2.0	-99.45	354.82	5.72	-93.73
O=C([O-])C1=CC=CC=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300004585982	0	38	-2.0	-110.91	320.58	5.78	-105.13
O=C([O-])C1=CC=CC=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300004585982	1	38	-2.0	-110.90	320.63	5.80	-105.10
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1OCC(=O)[O-]	REAL300004585983	0	42	-2.0	-99.43	343.26	5.57	-93.86
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1OCC(=O)[O-]	REAL300004585983	1	42	-2.0	-99.46	343.32	5.57	-93.89
O=C([O-])C1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300004585984	0	35	-2.0	-111.21	307.74	5.23	-105.98
O=C([O-])C1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300004585984	1	35	-2.0	-111.25	307.80	5.25	-106.00
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300004585985	0	32	-2.0	-100.68	278.09	3.71	-96.97
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300004585985	1	32	-2.0	-100.60	278.16	3.71	-96.89
O=C([O-])C1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300004585986	0	35	-2.0	-113.53	307.73	5.24	-108.29
O=C([O-])C1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300004585986	1	35	-2.0	-113.47	307.79	5.26	-108.21
CC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300004585987	0	34	-2.0	-94.41	293.38	3.78	-90.63
CC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300004585987	1	34	-2.0	-94.38	293.44	3.81	-90.57
O=C([O-])C1=CC(Br)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300004585988	0	32	-2.0	-105.40	300.52	4.70	-100.70
O=C([O-])C1=CC(Br)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300004585988	1	32	-2.0	-105.39	300.57	4.72	-100.67
O=C([O-])CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300004585989	0	35	-2.0	-108.38	301.33	4.88	-103.50
O=C([O-])CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300004585989	1	35	-2.0	-108.36	301.39	4.90	-103.46
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300004585990	0	35	-2.0	-118.66	312.81	4.09	-114.57
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300004585990	1	35	-2.0	-118.62	312.87	4.11	-114.51
O=C([O-])C1CCC(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300004585991	0	41	-2.0	-112.55	327.85	5.49	-107.06
O=C([O-])C1CCC(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300004585991	1	41	-2.0	-112.53	327.91	5.51	-107.02
O=C([O-])C1=C2N=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)N2N=C1	REAL300004585992	0	34	-2.0	-107.85	311.43	3.25	-104.60
O=C([O-])C1=C2N=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)N2N=C1	REAL300004585992	1	34	-2.0	-107.83	311.37	3.23	-104.60
O=C([O-])CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC2=CC=CC=C21	REAL300004585993	0	39	-2.0	-125.90	330.24	5.41	-120.49
O=C([O-])CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC2=CC=CC=C21	REAL300004585993	1	39	-2.0	-125.94	330.29	5.43	-120.51
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CCCC3C3=N[N-]N=N3)C2=C1	REAL300004585994	0	45	-2.0	-113.24	361.89	7.47	-105.77
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CCCC3C3=NN=N[N-]3)C2=C1	REAL300004585994	1	45	-2.0	-113.23	361.94	7.49	-105.74
O=C([O-])C=CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300004585995	0	33	-2.0	-97.46	299.64	4.18	-93.28
O=C([O-])C=CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300004585995	1	33	-2.0	-97.40	299.70	4.20	-93.20
O=C([O-])COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300004585996	0	36	-2.0	-98.45	310.74	4.43	-94.02
O=C([O-])COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300004585996	1	36	-2.0	-98.45	310.80	4.45	-94.00
O=C([O-])CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300004585997	0	35	-2.0	-104.30	301.92	4.93	-99.37
O=C([O-])CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300004585997	1	35	-2.0	-104.29	301.98	4.94	-99.35
O=C([O-])C=CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300004585998	0	36	-2.0	-100.63	311.81	5.45	-95.18
O=C([O-])C=CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300004585998	1	36	-2.0	-100.64	311.87	5.46	-95.18
O=C([O-])C1=COC(C=CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300004585999	0	33	-2.0	-101.80	301.11	3.96	-97.84
O=C([O-])C1=COC(C=CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300004585999	1	33	-2.0	-101.80	301.17	3.98	-97.82
O=C([O-])C1=C(COCC(=O)N2CCCC2C2=NN=N[N-]2)OC=N1	REAL300004586000	0	35	-2.0	-128.97	315.98	0.35	-128.62
O=C([O-])C1=C(COCC(=O)N2CCCC2C2=N[N-]N=N2)OC=N1	REAL300004586000	1	35	-2.0	-128.99	315.92	0.32	-128.67
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300004586001	0	33	-2.0	-99.18	302.73	4.32	-94.86
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300004586001	1	33	-2.0	-99.13	302.79	4.34	-94.79
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300004586002	0	35	-2.0	-102.46	295.08	4.67	-97.79
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300004586002	1	35	-2.0	-102.43	295.14	4.69	-97.74
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300004586003	0	34	-2.0	-98.75	293.44	2.99	-95.76
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300004586003	1	34	-2.0	-98.74	293.49	3.01	-95.73
O=C([O-])C1=NN(CCCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300004586004	0	38	-2.0	-125.62	332.83	4.12	-121.50
O=C([O-])C1=NN(CCCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300004586004	1	38	-2.0	-125.65	332.77	4.10	-121.55
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300004586005	0	39	-2.0	-117.80	322.76	4.35	-113.45
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300004586005	1	39	-2.0	-117.83	322.81	4.38	-113.45
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300004586006	0	39	-2.0	-109.34	325.86	3.36	-105.98
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300004586006	1	39	-2.0	-109.38	325.92	3.39	-105.99
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300004586007	0	40	-2.0	-114.72	314.17	5.73	-108.99
O=C([O-])C1C2C=CC(CC2)C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300004586007	1	40	-2.0	-116.83	313.52	5.65	-111.18
O=C([O-])CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC2=CC=CC=C21	REAL300004586009	0	39	-2.0	-125.90	330.24	5.41	-120.49
O=C([O-])CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC2=CC=CC=C21	REAL300004586009	1	39	-2.0	-125.94	330.29	5.43	-120.51
O=C([O-])C1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300004586010	0	39	-2.0	-127.96	341.08	6.65	-121.31
O=C([O-])C1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300004586010	1	39	-2.0	-127.95	341.14	6.68	-121.27
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300004586011	0	35	-2.0	-107.91	299.44	4.79	-103.12
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300004586011	1	35	-2.0	-107.94	299.49	4.81	-103.13
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300004586012	0	34	-2.0	-96.45	289.99	2.93	-93.52
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300004586012	1	34	-2.0	-96.43	290.05	2.94	-93.49
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300004586013	0	35	-2.0	-99.81	300.53	4.82	-94.99
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300004586013	1	35	-2.0	-99.78	300.59	4.84	-94.94
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300004586014	0	32	-2.0	-100.67	286.07	4.14	-96.53
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300004586014	1	32	-2.0	-100.67	286.13	4.15	-96.52
O=C([O-])C1CC2(C1)CC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL300004586015	0	39	-2.0	-105.13	323.59	5.38	-99.75
O=C([O-])C1CC2(C1)CC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL300004586015	1	39	-2.0	-105.12	323.64	5.41	-99.71
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300004586016	0	35	-2.0	-99.01	307.58	2.59	-96.42
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300004586016	1	35	-2.0	-99.04	307.64	2.61	-96.43
O=C([O-])CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300004586017	0	38	-2.0	-99.53	323.32	5.73	-93.80
O=C([O-])CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300004586017	1	38	-2.0	-99.54	323.38	5.75	-93.79
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL300004586018	0	36	-2.0	-106.38	316.53	5.03	-101.35
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL300004586018	1	36	-2.0	-106.43	316.58	5.05	-101.38
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL300004586019	0	32	-2.0	-101.61	290.54	4.03	-97.58
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL300004586019	1	32	-2.0	-101.61	290.59	4.05	-97.56
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CCCC1C1=N[N-]N=N1)=C2	REAL300004586020	0	32	-2.0	-100.28	307.61	4.62	-95.66
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CCCC1C1=NN=N[N-]1)=C2	REAL300004586020	1	32	-2.0	-100.28	307.67	4.65	-95.63
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300004586021	0	36	-2.0	-105.19	320.04	3.77	-101.42
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300004586021	1	36	-2.0	-105.23	320.10	3.79	-101.44
O=C([O-])C1=C2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)SC2=CC=C1	REAL300004586022	0	35	-2.0	-122.91	313.66	5.42	-117.49
O=C([O-])C1=C2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)SC2=CC=C1	REAL300004586022	1	35	-2.0	-122.94	313.72	5.44	-117.50
O=C([O-])C1=NC=CC=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300004586023	0	37	-2.0	-113.24	316.73	4.02	-109.22
O=C([O-])C1=NC=CC=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300004586023	1	37	-2.0	-113.23	316.79	4.04	-109.19
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300004586024	0	36	-2.0	-101.63	316.64	5.72	-95.91
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300004586024	1	36	-2.0	-101.61	316.70	5.74	-95.87
O=C([O-])C1=CSC2=C1NC(C(=O)N1CCCC1C1=N[N-]N=N1)=C2	REAL300004586025	0	33	-2.0	-99.94	303.37	3.70	-96.24
O=C([O-])C1=CSC2=C1NC(C(=O)N1CCCC1C1=NN=N[N-]1)=C2	REAL300004586025	1	33	-2.0	-99.90	303.43	3.71	-96.19
O=C([O-])C1=CC2=C(C=C(C(=O)N3CCCC3C3=N[N-]N=N3)N2)S1	REAL300004586026	0	33	-2.0	-96.63	304.10	3.86	-92.77
O=C([O-])C1=CC2=C(C=C(C(=O)N3CCCC3C3=NN=N[N-]3)N2)S1	REAL300004586026	1	33	-2.0	-96.66	304.16	3.87	-92.79
O=C([O-])C1=COC2=C1NC(C(=O)N1CCCC1C1=N[N-]N=N1)=C2	REAL300004586027	0	33	-2.0	-98.49	294.71	2.84	-95.65
O=C([O-])C1=COC2=C1NC(C(=O)N1CCCC1C1=NN=N[N-]1)=C2	REAL300004586027	1	33	-2.0	-98.48	294.76	2.85	-95.63
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300004586028	0	35	-2.0	-103.24	295.80	4.78	-98.46
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300004586028	1	35	-2.0	-103.26	295.86	4.80	-98.46
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300004586029	0	35	-2.0	-102.83	312.40	3.95	-98.88
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300004586029	1	35	-2.0	-102.85	312.46	3.95	-98.90
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300004586030	0	37	-2.0	-145.26	301.16	3.17	-142.09
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300004586030	1	37	-2.0	-145.23	301.22	3.18	-142.05
O=C([O-])C1=CC=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C12	REAL300004586031	0	38	-2.0	-99.97	319.50	6.29	-93.68
O=C([O-])C1=CC=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C12	REAL300004586031	1	38	-2.0	-99.95	319.44	6.28	-93.67
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300004586032	0	38	-2.0	-114.50	324.42	5.70	-108.80
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300004586032	1	38	-2.0	-114.51	324.48	5.73	-108.78
O=C([O-])C1=CSC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300004586033	0	32	-2.0	-110.73	299.28	4.37	-106.36
O=C([O-])C1=CSC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300004586033	1	32	-2.0	-110.73	299.33	4.40	-106.33
O=C([O-])C1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300004586034	0	35	-2.0	-116.29	312.27	5.26	-111.03
O=C([O-])C1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300004586034	1	35	-2.0	-116.28	312.33	5.27	-111.01
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300004586035	0	39	-2.0	-100.10	327.69	5.69	-94.41
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300004586035	1	39	-2.0	-100.08	327.75	5.71	-94.37
CCO[N-]C(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300004597963	0	36	-2.0	-103.30	330.00	2.99	-100.31
CCO[N-]C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300004597967	0	32	-2.0	-94.71	304.10	1.08	-93.63
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[N-]OC2CCCCO2)O1	REAL300004597979	0	44	-2.0	-107.87	383.86	4.12	-103.75
O=C(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[N-]OC1CCCCO1	REAL300004597983	0	40	-2.0	-99.84	357.97	2.21	-97.63
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]OC2CCCCO2)C1	REAL300004597996	0	41	-2.0	-118.67	347.55	6.42	-112.25
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]OC1CCCCO1	REAL300004597997	0	35	-2.0	-123.22	312.03	1.31	-121.91
O=C([O-])C1(C(=O)[N-]OC2CCCCO2)CC1C1=CC=CC=C1	REAL300004597998	0	39	-2.0	-128.94	322.68	7.66	-121.28
O=C([O-])C1=CN(CC(=O)[N-]OC2CCCCO2)C2=CC=CC=C12	REAL300004598000	0	39	-2.0	-118.97	337.26	7.98	-110.99
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[N-]OCC(F)(F)F)O1	REAL300004598109	0	36	-2.0	-98.97	349.56	3.44	-95.53
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)[N-]OCC(F)(F)F)C=C1	REAL300004598113	0	32	-2.0	-90.30	323.67	1.53	-88.77
O=C([O-])C1=CC=C2CCCC(CC(=O)[N-]OCC(F)(F)F)C2=C1	REAL300004598125	1	37	-2.0	-104.47	323.85	7.98	-96.49
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]OCC(F)(F)F)C1	REAL300004598126	0	33	-2.0	-107.91	313.12	5.73	-102.18
O=C([O-])C1(C(=O)[N-]OCC(F)(F)F)CC1C1=CC=CC=C1	REAL300004598127	0	31	-2.0	-111.58	287.44	7.12	-104.46
O=C([O-])C1=CN(CC(=O)[N-]OCC(F)(F)F)C2=CC=CC=C12	REAL300004598129	0	31	-2.0	-108.69	302.98	7.30	-101.39
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[N-]OCC2=CC=CN=C2)O1	REAL300004598139	0	42	-2.0	-105.61	384.73	4.26	-101.35
O=C(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[N-]OCC1=CC=CN=C1	REAL300004598144	0	38	-2.0	-97.28	358.85	2.35	-94.93
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]OCC2=CC=CN=C2)C1	REAL300004598159	0	39	-2.0	-115.27	348.44	6.55	-108.72
O=C([O-])C1=C(COCC(=O)[N-]OCC2=CC=CN=C2)OC=N1	REAL300004598161	0	33	-2.0	-119.93	312.89	1.44	-118.49
O=C([O-])C1(C(=O)[N-]OCC2=CC=CN=C2)CC1C1=CC=CC=C1	REAL300004598164	0	37	-2.0	-124.45	322.59	7.89	-116.56
O=C([O-])C1=CN(CC(=O)[N-]OCC2=CC=CN=C2)C2=CC=CC=C12	REAL300004598166	0	37	-2.0	-115.71	338.14	8.11	-107.60
O=C([O-])C1(C(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300004598199	0	31	-2.0	-116.69	298.06	7.27	-109.42
O=C([O-])C1(C(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300004598200	0	31	-2.0	-116.69	298.06	7.27	-109.42
O=C([O-])C1=CN(CC(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)N=N1	REAL300004598210	0	33	-2.0	-104.12	325.84	5.39	-98.73
O=C([O-])C1(C(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)CCC1	REAL300004598219	0	34	-2.0	-118.47	311.62	7.64	-110.83
CC(C)(C(=O)[O-])C(=O)[N-]OCC1=CC=C(C(F)(F)F)C=C1	REAL300004598220	0	33	-2.0	-118.77	305.77	7.57	-111.20
O=C([O-])C1(C(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)CCCC1	REAL300004598230	0	37	-2.0	-121.32	329.03	8.24	-113.08
O=C([O-])C1=CN(CC(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300004598233	0	34	-2.0	-102.99	330.76	6.87	-96.12
O=C([O-])C1(C(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)CC2(CCC2)C1	REAL300004598235	0	41	-2.0	-122.18	355.98	9.35	-112.83
O=C([O-])COCC(=O)[N-]OCC1=CC=C(C(F)(F)F)C=C1	REAL300004598239	0	31	-2.0	-108.99	302.95	6.33	-102.66
C[C@@H]1C[C@H](C(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)O[C@H]1C(=O)[O-]	REAL300004598241	0	38	-2.0	-109.93	346.36	7.98	-101.95
O=C([O-])C1=C(COCC(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)OC=N1	REAL300004598247	0	37	-2.0	-116.51	356.79	4.22	-112.29
O=C([O-])C1=NN(CC(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300004598253	0	34	-2.0	-117.58	330.10	6.90	-110.68
O=C([O-])CC[C@@H]1CC[C@H](C(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)O1	REAL300004598256	0	41	-2.0	-107.16	367.55	8.41	-98.75
CCC(C(=O)[O-])C(=O)[N-]OCC1=CC=C(C(F)(F)F)C=C1	REAL300004598262	0	33	-2.0	-118.33	308.98	7.16	-111.17
CC(C)C(C(=O)[O-])C(=O)[N-]OCC1=CC=C(C(F)(F)F)C=C1	REAL300004598263	0	36	-2.0	-117.19	319.89	7.65	-109.54
O=C([O-])C1(C(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)CC1C1=CC=CC=C1	REAL300004598267	0	41	-2.0	-120.23	366.57	10.67	-109.56
O=C([O-])C1=CN(CC(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)C2=CC=CC=C12	REAL300004598269	0	41	-2.0	-111.75	382.03	10.89	-100.86
CCCC(C(=O)[O-])C(=O)[N-]OCC1=CC=C(C(F)(F)F)C=C1	REAL300004598278	0	36	-2.0	-119.84	330.48	7.93	-111.91
O=C([O-])C1(C(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)CC=CC1	REAL300004598284	0	35	-2.0	-121.32	321.18	8.16	-113.16
COC(C(=O)[O-])C(=O)[N-]OCC1=CC=C(C(F)(F)F)C=C1	REAL300004598290	0	31	-2.0	-118.41	301.27	6.16	-112.25
O=C([O-])C12CC(C(=O)[N-]OCC3=CC=C(C(F)(F)F)C=C3)(C1)OC2	REAL300004598296	0	36	-2.0	-98.85	334.37	6.29	-92.56
CC1CC1(C(=O)[O-])C(=O)[N-]OCC1=CC=C(C(F)(F)F)C=C1	REAL300004598298	0	34	-2.0	-117.27	315.68	7.85	-109.42
O=C([O-])C1(C(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)CC2(CCC2)C1	REAL300004598299	0	41	-2.0	-122.18	355.98	9.35	-112.83
C=C1CCC1(C(=O)[O-])C(=O)[N-]OCC1=CC=C(C(F)(F)F)C=C1	REAL300004598306	0	35	-2.0	-121.04	327.26	8.06	-112.98
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[N-]OCC1=CC=C(C(F)(F)F)C=C1	REAL300004598308	0	39	-2.0	-136.84	344.54	6.99	-129.85
CC(C)[C@]1(C(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)C[C@H]1C(=O)[O-]	REAL300004598310	1	40	-2.0	-131.04	353.82	8.85	-122.19
O=C([O-])C1=CSC(CC(=O)[N-]OCC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300004598312	1	34	-2.0	-104.44	340.24	8.56	-95.88
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[N-]OCC(F)F)O1	REAL300004598356	0	36	-2.0	-106.25	343.00	3.30	-102.95
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)[N-]OCC(F)F)C=C1	REAL300004598362	0	32	-2.0	-97.06	317.11	1.39	-95.67
O=C([O-])C1=CC=C2CCCC(CC(=O)[N-]OCC(F)F)C2=C1	REAL300004598371	1	37	-2.0	-112.50	317.29	7.84	-104.66
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]OCC(F)F)C1	REAL300004598372	0	33	-2.0	-116.09	306.68	5.59	-110.50
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[N-]OCC2CCOC2)O1	REAL300004598377	0	44	-2.0	-104.77	386.09	3.15	-101.62
O=C(CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1)[N-]OCC1CCOC1	REAL300004598381	0	40	-2.0	-96.36	360.21	1.24	-95.12
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]OCC2CCOC2)C1	REAL300004598394	0	41	-2.0	-113.56	349.72	5.41	-108.15
O=C(COCC1=C(C(=O)[O-])N=CO1)[N-]OCC1CCOC1	REAL300004598395	0	35	-2.0	-119.17	314.25	0.33	-118.84
O=C([O-])C1(C(=O)[N-]OCC2CCOC2)CC1C1=CC=CC=C1	REAL300004598396	0	39	-2.0	-122.93	323.97	6.83	-116.10
O=C([O-])C1=CN(CC(=O)[N-]OCC2CCOC2)C2=CC=CC=C12	REAL300004598398	0	39	-2.0	-114.95	339.51	7.00	-107.95
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)[N-]OCCC(F)(F)F)C=C1	REAL300004598428	0	35	-2.0	-91.51	343.73	2.27	-89.24
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]OCCC(F)(F)F)C1	REAL300004598443	0	36	-2.0	-109.35	333.18	6.46	-102.89
O=C([O-])C1(C(=O)[N-]OCCC(F)(F)F)CC1C1=CC=CC=C1	REAL300004598448	0	34	-2.0	-117.05	307.55	7.81	-109.24
O=C([O-])C1=CN(CC(=O)[N-]OCCC(F)(F)F)C2=CC=CC=C12	REAL300004598450	0	34	-2.0	-109.08	323.03	8.03	-101.05
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[N-]OCCO)O1	REAL300004598469	0	37	-2.0	-107.88	341.36	-0.10	-107.98
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)[N-]OCCO)C=C1	REAL300004598473	0	33	-2.0	-99.15	315.48	-2.01	-101.16
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[N-]OC2CCCCC2)O1	REAL300004598480	0	46	-2.0	-122.25	392.62	5.55	-116.70
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)[N-]OC2CCCCC2)C=C1	REAL300004598484	0	42	-2.0	-97.12	366.86	3.77	-93.35
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]OC2CCCCC2)C1	REAL300004598497	0	43	-2.0	-117.17	356.44	7.98	-109.19
O=C([O-])C1(C(=O)[N-]OC2CCCCC2)CC1C1=CC=CC=C1	REAL300004598498	0	41	-2.0	-127.60	330.70	9.32	-118.28
O=C([O-])C1=CN(CC(=O)[N-]OC2CCCCC2)C2=CC=CC=C12	REAL300004598500	0	41	-2.0	-116.15	346.17	9.54	-106.61
COC1=CC=CC=C1CO[N-]C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300004598519	0	43	-2.0	-102.53	390.69	3.46	-99.07
COC1=CC=CC=C1CO[N-]C(=O)CN1C=C(C(=O)[O-])N=N1	REAL300004598535	0	34	-2.0	-113.53	313.78	3.73	-109.80
COC1=CC=CC=C1CO[N-]C(=O)CN1C=C(C(=O)[O-])C=N1	REAL300004598552	0	35	-2.0	-112.67	318.71	5.21	-107.46
COC1=CC=CC=C1CO[N-]C(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300004598554	0	42	-2.0	-136.40	343.91	7.84	-128.56
COC1=CC=CC=C1CO[N-]C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300004598556	0	44	-2.0	-122.42	380.10	7.63	-114.79
COC1=CC=CC=C1CO[N-]C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300004598559	0	39	-2.0	-119.97	334.18	6.31	-113.66
COC1=CC=CC=C1CO[N-]C(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300004598564	0	38	-2.0	-126.85	344.73	2.57	-124.28
COC1=CC=CC=C1CO[N-]C(=O)CN1C=CC(C(=O)[O-])=N1	REAL300004598569	0	35	-2.0	-127.70	318.04	5.24	-122.46
COC1=CC=CC=C1CO[N-]C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300004598571	0	42	-2.0	-117.65	355.78	6.77	-110.88
COC1=CC=CC=C1CO[N-]C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300004598577	0	42	-2.0	-134.37	354.43	9.02	-125.35
COC1=CC=CC=C1CO[N-]C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300004598579	0	42	-2.0	-121.42	369.97	9.23	-112.19
COC1=CC=CC=C1CO[N-]C(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300004598600	0	37	-2.0	-109.56	322.75	4.62	-104.94
COC1=CC=CC=C1CO[N-]C(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300004598602	0	42	-2.0	-136.40	343.91	7.84	-128.56
COC1=CC=CC=C1CO[N-]C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300004598610	0	40	-2.0	-151.83	332.48	5.33	-146.50
COC1=CC=CC=C1CO[N-]C(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-]	REAL300004598612	1	41	-2.0	-146.01	341.76	7.18	-138.83
COC1=CC=CC=C1CO[N-]C(=O)CC1=CC(C(=O)[O-])=CS1	REAL300004598614	1	35	-2.0	-114.42	328.18	6.90	-107.52
COCCO[N-]C(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300004598618	0	40	-2.0	-107.06	363.62	2.28	-104.78
COCCO[N-]C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300004598623	0	36	-2.0	-98.26	337.73	0.37	-97.89
COCCO[N-]C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300004598632	0	37	-2.0	-116.87	327.30	4.57	-112.30
CC(C)(O)CO[N-]C(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300004598635	0	43	-2.0	-106.82	381.69	1.34	-105.48
CC(C)(O)CO[N-]C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300004598639	0	39	-2.0	-97.68	355.99	-0.39	-98.07
CC(C)(O)CO[N-]C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300004598650	0	40	-2.0	-117.39	345.55	3.82	-113.57
CC(C)(O)CO[N-]C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300004598652	0	38	-2.0	-117.08	335.10	5.19	-111.89
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[N-]OC2=CC=CC=C2)O1	REAL300004598673	0	40	-2.0	-124.95	367.90	5.61	-119.34
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)[N-]OC2=CC=CC=C2)C=C1	REAL300004598677	0	36	-2.0	-99.00	342.14	3.83	-95.17
O=C([O-])C1=CC=C(S(=O)(=O)N2CCC(C(=O)[N-]OC3=CC=CC=C3)CC2)O1	REAL300004598683	1	43	-2.0	-114.92	387.40	5.65	-109.27
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]OC2=CC=CC=C2)C1	REAL300004598690	0	37	-2.0	-119.13	331.74	8.04	-111.09
O=C([O-])C1=CN(CC(=O)[N-]OC2=CC=CC=C2)C2=CC=CC=C12	REAL300004598692	0	35	-2.0	-118.52	321.43	9.60	-108.92
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[N-]OC2CCC2)O1	REAL300004598826	0	40	-2.0	-104.65	357.33	4.41	-100.24
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)[N-]OC2CCC2)C=C1	REAL300004598830	0	36	-2.0	-95.86	331.43	2.50	-93.36
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]OC2CCC2)C1	REAL300004598839	0	37	-2.0	-115.62	321.02	6.71	-108.91
CC(C)(CO)O[N-]C(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300004598840	0	43	-2.0	-102.51	378.50	1.48	-101.03
CC(C)(CO)O[N-]C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300004598844	0	39	-2.0	-94.52	352.61	-0.42	-94.94
CC(C)(CO)O[N-]C(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21	REAL300004598854	1	44	-2.0	-110.88	352.79	6.03	-104.85
CC(C)(CO)O[N-]C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300004598855	0	40	-2.0	-113.44	342.06	3.77	-109.67
CC(C)(CO)O[N-]C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300004598857	0	38	-2.0	-112.77	331.91	5.34	-107.43
CC(C)C(CO)O[N-]C(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300004598863	0	46	-2.0	-107.82	395.62	2.45	-105.37
CC(C)C(CO)O[N-]C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300004598867	0	42	-2.0	-98.62	370.08	0.55	-98.07
CC(C)C(CO)O[N-]C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1	REAL300004598879	0	43	-2.0	-118.64	362.64	4.29	-114.35
CC(C)C(CO)O[N-]C(=O)COCC1=C(C(=O)[O-])N=CO1	REAL300004598880	0	37	-2.0	-123.63	327.23	-0.82	-124.45
CC(C)C(CO)O[N-]C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300004598881	0	41	-2.0	-126.79	337.01	5.63	-121.16
CC(C)C(CO)O[N-]C(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300004598883	0	41	-2.0	-118.48	349.03	6.30	-112.18
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[N-]OCC2CC2)O1	REAL300004598893	0	40	-2.0	-104.82	361.66	4.57	-100.25
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)[N-]OCC2CC2)C=C1	REAL300004598898	0	36	-2.0	-96.17	335.77	2.66	-93.51
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]OCC2CC2)C1	REAL300004598907	0	37	-2.0	-115.19	325.18	6.83	-108.36
O=C([O-])C1=CC=C(S(=O)(=O)N2CCCC2C(=O)[N-]OCCC2CC2)O1	REAL300004598933	0	43	-2.0	-120.41	382.97	5.23	-115.18
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)[N-]OCCC2CC2)C=C1	REAL300004598939	0	39	-2.0	-95.57	357.22	3.45	-92.12
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)[N-]OCCC2CC2)C1	REAL300004598950	0	40	-2.0	-114.41	346.61	7.62	-106.79
O=C([O-])C1=CN(CC(=O)[N-]OCCC2CC2)C2=CC=CC=C12	REAL300004598952	0	38	-2.0	-114.04	336.50	9.21	-104.83
CC(C)O[N-]C(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300004598957	0	39	-2.0	-103.55	351.14	3.75	-99.80
CC(C)O[N-]C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300004598961	0	35	-2.0	-94.99	325.24	1.84	-93.15
CCCO[N-]C(=O)C1CCCN1S(=O)(=O)C1=CC=C(C(=O)[O-])O1	REAL300004599490	0	39	-2.0	-103.74	351.50	3.79	-99.95
CCCO[N-]C(=O)CNS(=O)(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300004599494	0	35	-2.0	-95.24	325.60	1.88	-93.36
CC1=CC=CC(CO[N-]C(=O)CNS(=O)(=O)C2=CC=C(C(=O)[O-])C=C2)=N1	REAL300004599531	0	41	-2.0	-99.68	378.39	2.92	-96.76
CC1=CC=CC(CO[N-]C(=O)CC2CCCC3=CC=C(C(=O)[O-])C=C32)=N1	REAL300004599551	1	46	-2.0	-116.64	378.58	9.37	-107.27
CC1=CC=CC(CO[N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300004599553	0	40	-2.0	-131.52	331.61	7.29	-124.23
CC1=CC=CC(CO[N-]C(=O)C2CC(C(=O)[O-])=NN2C2=CC=CC=C2)=N1	REAL300004599555	0	42	-2.0	-118.84	367.99	7.12	-111.72
CC1=CC=CC(CO[N-]C(=O)COCC2=C(C(=O)[O-])N=CO2)=N1	REAL300004599560	0	36	-2.0	-123.13	332.44	2.01	-121.12
CC1=CC=CC(CO[N-]C(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=N1	REAL300004599565	0	40	-2.0	-113.94	343.51	6.20	-107.74
CC1=CC=CC(CO[N-]C(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)=N1	REAL300004599569	0	40	-2.0	-129.62	342.13	8.46	-121.16
CC1=CC=CC(CO[N-]C(=O)CN2C=C(C(=O)[O-])C3=CC=CC=C32)=N1	REAL300004599571	0	40	-2.0	-117.92	357.68	8.68	-109.24
CC1=CC=CC(CO[N-]C(=O)C2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300004599587	0	40	-2.0	-131.52	331.61	7.29	-124.23
CC1=CC=CC(CO[N-]C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=N1	REAL300004599593	0	38	-2.0	-146.47	320.22	4.76	-141.71
CC1=CC=CC(CO[N-]C(=O)CC2=CC(C(=O)[O-])=CS2)=N1	REAL300004599596	1	33	-2.0	-110.83	315.88	6.35	-104.48
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1	REAL300004602012	1	40	-2.0	-98.96	362.84	0.78	-98.18
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1	REAL300004602460	1	47	-2.0	-129.52	404.58	5.18	-124.34
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(OC)C=C1[O-]	REAL300004603095	1	40	-2.0	-138.24	337.26	5.74	-132.50
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300004603545	1	36	-2.0	-110.76	316.24	5.00	-105.76
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004603556	1	39	-2.0	-128.36	346.54	7.43	-120.93
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL300004603590	0	36	-2.0	-105.53	313.67	3.06	-102.47
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL300004603590	1	36	-2.0	-105.50	313.73	3.08	-102.42
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300004603661	0	42	-2.0	-108.66	370.51	3.08	-105.58
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004603686	1	41	-2.0	-108.21	348.17	4.49	-103.72
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=CC([O-])=C1	REAL300004603723	1	35	-2.0	-113.87	305.06	3.10	-110.77
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-]	REAL300004603804	0	46	-2.0	-135.12	391.66	7.18	-127.94
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004603809	0	43	-2.0	-134.88	377.20	6.27	-128.61
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004603840	0	41	-2.0	-138.44	350.35	7.05	-131.39
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-]	REAL300004603977	0	46	-2.0	-142.06	395.54	6.85	-135.21
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-]	REAL300004603978	0	49	-2.0	-139.93	404.77	8.00	-131.93
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004604089	0	36	-2.0	-104.91	331.28	5.54	-99.37
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300004604181	0	39	-2.0	-119.16	335.17	3.85	-115.31
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300004604181	1	39	-2.0	-119.19	335.23	3.86	-115.33
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004604213	0	36	-2.0	-107.21	326.04	5.49	-101.72
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1	REAL300004604217	1	43	-2.0	-108.89	376.12	6.51	-102.38
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-]	REAL300004604223	0	47	-2.0	-136.86	400.26	5.50	-131.36
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1	REAL300004604239	1	40	-2.0	-114.91	362.02	0.74	-114.17
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004604380	0	39	-2.0	-96.97	345.81	3.64	-93.33
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004604380	1	39	-2.0	-97.02	345.75	3.63	-93.39
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=C[N-]N=CC1=O	REAL300004604618	0	34	-2.0	-100.08	297.25	3.53	-96.55
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(COC)[N-]C1=O	REAL300004604642	1	41	-2.0	-108.00	350.01	2.14	-105.86
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004604685	1	44	-2.0	-108.21	363.93	5.04	-103.17
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004604933	0	36	-2.0	-123.05	340.62	7.46	-115.59
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=C1	REAL300004622565	1	39	-2.0	-123.12	347.24	2.86	-120.26
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300004622884	1	39	-2.0	-125.34	347.33	3.08	-122.26
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=C1	REAL300004622935	1	41	-2.0	-137.91	369.30	8.03	-129.88
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300004623382	1	42	-2.0	-100.23	373.75	1.28	-98.95
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)O1	REAL300004623383	1	33	-2.0	-99.42	318.29	-1.12	-100.54
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300004623657	0	36	-2.0	-123.56	325.86	2.18	-121.38
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=CS1	REAL300004624023	1	40	-2.0	-101.78	359.76	3.30	-98.48
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300004624262	0	36	-2.0	-114.79	332.26	2.25	-112.54
CC1=C(CC(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004624265	1	42	-2.0	-136.29	369.97	3.44	-132.85
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(O)C(C(=O)[O-])=C1	REAL300004624268	1	42	-2.0	-125.97	368.83	3.87	-122.10
CC1=C(C(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004624348	1	42	-2.0	-106.06	350.01	3.68	-102.38
COC1=CC=C(C(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C([O-])=C1	REAL300004624829	1	33	-2.0	-107.98	292.70	3.88	-104.10
O=C([O-])C1=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=CC=C1O	REAL300004625370	1	32	-2.0	-127.35	302.00	5.56	-121.79
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C=N1	REAL300004625478	0	35	-2.0	-108.52	326.91	1.21	-107.31
O=C([O-])C1=CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=CC=C1O	REAL300004625511	1	34	-2.0	-97.77	304.63	2.62	-95.15
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(O)C(C(=O)[O-])=C3)=N2)=C1	REAL300004625569	0	45	-2.0	-136.44	386.49	6.24	-130.20
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(O)C(C(=O)[O-])=C3)=N2)C=C1	REAL300004625570	0	45	-2.0	-135.59	386.42	6.24	-129.35
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=N1	REAL300004625657	0	39	-2.0	-132.91	353.88	5.34	-127.57
O=C([O-])C1=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=CC=C1O	REAL300004625662	0	36	-2.0	-134.34	332.63	4.39	-129.95
O=C([O-])C1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC=C1O	REAL300004625692	0	34	-2.0	-137.45	305.80	5.19	-132.26
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(O)C(C(=O)[O-])=C3)=N2)=C1	REAL300004625840	0	39	-2.0	-140.70	350.97	4.97	-135.73
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=N1	REAL300004625841	0	42	-2.0	-138.48	367.33	6.06	-132.42
CC1=C(CC(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004625911	1	42	-2.0	-135.24	370.15	3.43	-131.81
O=C([O-])C1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC=C1O	REAL300004625960	0	29	-2.0	-104.90	287.41	3.67	-101.23
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC=C1O	REAL300004626092	0	29	-2.0	-104.43	281.45	3.60	-100.83
CCOC1=CC(C(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300004626095	1	36	-2.0	-108.61	332.25	4.65	-103.96
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(O)C(C(=O)[O-])=C3)=N2)C=C1	REAL300004626107	0	40	-2.0	-135.43	355.70	3.62	-131.81
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)=CO1	REAL300004626130	1	33	-2.0	-115.51	317.43	-1.13	-116.64
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=CC=C1O	REAL300004626218	0	37	-2.0	-98.98	329.63	7.56	-91.42
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=CC=C1O	REAL300004626218	1	37	-2.0	-98.90	329.59	7.57	-91.33
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1O	REAL300004626284	0	32	-2.0	-97.49	301.20	1.75	-95.74
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1O	REAL300004626284	1	32	-2.0	-97.44	301.27	1.76	-95.68
COCC1=NC=C(C(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300004626596	1	34	-2.0	-96.85	306.47	0.27	-96.58
O=C([O-])C1=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=CC=C1O	REAL300004626641	1	37	-2.0	-97.86	320.39	3.16	-94.70
O=C([O-])C1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1O	REAL300004626936	0	29	-2.0	-122.11	296.07	5.60	-116.51
CC1=C(C(=O)NC2=CC=C(O)C(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004627222	0	37	-2.0	-102.18	329.09	2.78	-99.40
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300004634911	0	32	-2.0	-100.82	294.69	5.47	-95.35
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300004634911	1	32	-2.0	-100.78	294.75	5.46	-95.32
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300004634912	0	36	-2.0	-114.45	325.78	5.75	-108.70
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300004634912	1	36	-2.0	-114.40	325.84	5.74	-108.66
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300004634913	0	32	-2.0	-118.68	294.98	5.46	-113.22
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300004634913	1	32	-2.0	-118.63	295.05	5.45	-113.18
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)S1	REAL300004634914	0	29	-2.0	-95.38	289.26	4.63	-90.75
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)S1	REAL300004634914	1	29	-2.0	-95.36	289.33	4.62	-90.74
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL300004634915	0	31	-2.0	-96.86	292.88	3.74	-93.12
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL300004634915	1	31	-2.0	-96.88	292.82	3.75	-93.13
CC(SC1=CC=CC=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300004634916	0	39	-2.0	-128.12	347.28	7.22	-120.90
CC(SC1=CC=CC=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300004634916	1	39	-2.0	-128.07	347.34	7.21	-120.86
CCOC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1OCC(=O)[O-]	REAL300004634917	0	43	-2.0	-104.86	377.05	6.41	-98.45
CCOC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1OCC(=O)[O-]	REAL300004634917	1	43	-2.0	-104.86	377.12	6.40	-98.46
O=C([O-])C1=CC=C(CCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300004634918	0	38	-2.0	-104.61	340.77	6.96	-97.65
O=C([O-])C1=CC=C(CCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300004634918	1	38	-2.0	-104.50	340.84	6.95	-97.55
O=C([O-])C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=N1	REAL300004634919	0	31	-2.0	-96.50	290.86	3.70	-92.80
O=C([O-])C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=N1	REAL300004634919	1	31	-2.0	-96.56	290.80	3.71	-92.85
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300004634920	0	36	-2.0	-103.73	329.20	6.66	-97.07
O=C(C=CC1=CC=C(C(=O)[O-])C=C1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300004634920	1	36	-2.0	-103.70	329.26	6.66	-97.04
O=C([O-])C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1	REAL300004634921	0	34	-2.0	-90.14	323.14	6.13	-84.01
O=C([O-])C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1	REAL300004634921	1	34	-2.0	-90.13	323.21	6.11	-84.02
O=C([O-])C1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1	REAL300004634922	0	34	-2.0	-90.14	323.14	6.13	-84.01
O=C([O-])C1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1	REAL300004634922	1	34	-2.0	-90.13	323.21	6.11	-84.02
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300004634923	0	42	-2.0	-102.21	369.69	7.02	-95.19
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300004634923	1	42	-2.0	-102.17	369.76	7.02	-95.15
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300004634924	0	39	-2.0	-97.34	353.87	6.49	-90.85
O=C([O-])C1=NN(C2=CC=CC=C2)C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300004634924	1	39	-2.0	-97.38	353.80	6.49	-90.89
O=C([O-])C1=CC=CC=C1CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300004634925	0	38	-2.0	-119.87	332.06	6.68	-113.19
O=C([O-])C1=CC=CC=C1CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300004634925	1	38	-2.0	-119.86	332.13	6.68	-113.18
CC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC(C)=C1OCC(=O)[O-]	REAL300004634926	0	42	-2.0	-101.73	367.47	7.20	-94.53
CC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC(C)=C1OCC(=O)[O-]	REAL300004634926	1	42	-2.0	-101.69	367.54	7.19	-94.50
O=C([O-])C1=CC(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1	REAL300004634927	0	35	-2.0	-99.12	319.66	6.13	-92.99
O=C([O-])C1=CC(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1	REAL300004634927	1	35	-2.0	-99.06	319.72	6.12	-92.94
O=C([O-])C1CCCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300004634928	0	38	-2.0	-124.73	314.35	5.53	-119.20
O=C([O-])C1CCCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300004634928	1	38	-2.0	-124.65	314.42	5.53	-119.12
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300004634929	0	31	-2.0	-100.21	290.92	3.67	-96.54
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300004634929	1	31	-2.0	-100.26	290.85	3.68	-96.58
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)N=C1	REAL300004634930	0	31	-2.0	-92.54	292.16	3.73	-88.81
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)N=C1	REAL300004634930	1	31	-2.0	-92.57	292.09	3.74	-88.83
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300004634931	0	37	-2.0	-108.72	304.13	4.89	-103.83
CC(C)(CC(=O)[O-])CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300004634931	1	37	-2.0	-108.67	304.19	4.88	-103.79
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(F)=C1	REAL300004634932	0	32	-2.0	-102.80	299.50	5.53	-97.27
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(F)=C1	REAL300004634932	1	32	-2.0	-102.74	299.56	5.52	-97.22
O=C([O-])C1=CN=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300004634933	0	30	-2.0	-94.06	288.02	1.87	-92.19
O=C([O-])C1=CN=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300004634933	1	30	-2.0	-94.08	287.95	1.87	-92.21
O=C([O-])[C@H]1CC[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300004634934	0	38	-2.0	-103.33	320.64	5.70	-97.63
O=C([O-])[C@H]1CC[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300004634934	1	38	-2.0	-103.27	320.70	5.69	-97.58
O=C([O-])C1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300004634935	0	38	-2.0	-120.30	314.53	5.56	-114.74
O=C([O-])C1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300004634935	1	38	-2.0	-120.28	314.59	5.55	-114.73
O=C([O-])C1=CC=C(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300004634936	0	35	-2.0	-119.30	319.64	6.14	-113.16
O=C([O-])C1=CC=C(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300004634936	1	35	-2.0	-119.26	319.70	6.14	-113.12
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O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300004634971	0	35	-2.0	-116.32	302.06	5.05	-111.27
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CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1C(=O)[O-]	REAL300004634972	0	35	-2.0	-97.10	314.12	6.10	-91.00
CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1C(=O)[O-]	REAL300004634972	1	35	-2.0	-97.10	314.19	6.09	-91.01
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O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300004634981	1	38	-2.0	-119.60	308.66	6.09	-113.51
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CC(C)[C@]1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C[C@H]1C(=O)[O-]	REAL300004635019	0	38	-2.0	-96.51	323.90	5.65	-90.86
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CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300004635023	0	35	-2.0	-104.66	301.35	5.02	-99.64
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300004635023	1	35	-2.0	-104.58	301.41	5.01	-99.57
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O=C([O-])C12CCC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)(CC1)CC2	REAL300004635025	1	42	-2.0	-101.83	338.36	6.35	-95.48
CC1=C(CCC(=O)N[C@@H](CO)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300004638034	1	45	-2.0	-117.94	372.87	1.24	-116.70
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C)C(C(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300004638079	1	45	-2.0	-110.60	390.24	2.75	-107.85
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C2)C=C1C	REAL300004638113	1	45	-2.0	-111.60	392.62	2.49	-109.11
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300004638312	0	35	-2.0	-118.65	315.02	-0.93	-119.58
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CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N[C@@H](CO)C(=O)[O-])=C2)C=C1F	REAL300004638559	1	42	-2.0	-112.66	380.62	1.99	-110.67
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CO)C(=O)[O-]	REAL300004638578	0	35	-2.0	-119.56	315.11	-0.71	-120.27
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H](CO)C(=O)[O-])C=C1	REAL300004638614	1	37	-2.0	-130.81	337.47	4.20	-126.61
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CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C1	REAL300004638663	1	42	-2.0	-103.15	374.29	2.04	-101.11
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C2)=C1C	REAL300004638667	1	45	-2.0	-104.40	390.79	2.59	-101.81
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O=C([O-])[C@H](CO)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300004638775	1	39	-2.0	-115.02	354.37	1.28	-113.74
CC1=CC(C(=O)N[C@@H](CO)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300004638789	0	35	-2.0	-94.66	335.13	-0.52	-95.18
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C2)C=C1	REAL300004638900	1	42	-2.0	-104.04	375.28	1.96	-102.08
O=C([O-])[C@H](CO)NC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC(Cl)=C2)=C1	REAL300004638976	1	39	-2.0	-112.30	370.99	1.83	-110.47
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC(C(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300004638977	0	43	-2.0	-121.06	383.62	0.60	-120.46
COC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@@H](CO)C(=O)[O-])=C2)C=C1	REAL300004638978	1	43	-2.0	-115.53	383.92	0.55	-114.98
O=C([O-])[C@H](CO)NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300004638983	0	36	-2.0	-108.55	346.12	0.29	-108.26
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])O1	REAL300004638997	1	38	-2.0	-101.15	339.70	-2.38	-103.53
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@@H](CO)C(=O)[O-])=C2)C=C1	REAL300004639081	1	42	-2.0	-117.65	375.79	1.93	-115.72
CC1=CC=C([N-]S(=O)(=O)C2=CC(C(=O)N[C@@H](CO)C(=O)[O-])=CC=C2C)C=C1	REAL300004639088	1	45	-2.0	-117.93	391.22	2.70	-115.23
CC1=CC(S(=O)(=O)[N-]C2=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C2)=CC=C1F	REAL300004639094	1	42	-2.0	-104.31	380.91	1.98	-102.33
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C1	REAL300004639095	1	42	-2.0	-103.84	376.07	2.13	-101.71
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N[C@@H](CO)C(=O)[O-])=CC=C1F	REAL300004639098	0	42	-2.0	-120.53	378.61	2.25	-118.28
COC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C1	REAL300004639124	0	43	-2.0	-107.30	383.11	0.63	-106.67
CC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1C(=O)N[C@@H](CO)C(=O)[O-]	REAL300004639126	1	42	-2.0	-104.62	376.75	2.04	-102.58
CC1=CC=CC([N-]S(=O)(=O)C2=CC(C(=O)N[C@@H](CO)C(=O)[O-])=CC=C2C)=C1	REAL300004639127	1	45	-2.0	-118.39	390.74	2.72	-115.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N[C@@H](CO)C(=O)[O-])=C2)=C1	REAL300004639128	1	42	-2.0	-118.10	375.79	1.94	-116.16
CC1=CC=CC([N-]S(=O)(=O)C2=CC=C(C)C(C(=O)N[C@@H](CO)C(=O)[O-])=C2)=C1	REAL300004639129	1	45	-2.0	-111.87	391.85	2.61	-109.26
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC(C(=O)N[C@@H](CO)C(=O)[O-])=C2)=C1	REAL300004639134	1	45	-2.0	-115.30	390.79	2.72	-112.58
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300004639199	0	39	-2.0	-124.69	349.53	-2.70	-127.39
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CO)C(=O)[O-]	REAL300004639242	0	32	-2.0	-117.92	293.15	-1.60	-119.52
O=C([O-])[C@H](CO)NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300004639252	0	36	-2.0	-113.08	346.31	0.29	-112.79
O=C([O-])[C@H](CO)NC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300004639253	0	39	-2.0	-121.29	370.96	0.94	-120.35
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H](CO)C(=O)[O-])=CS1	REAL300004639529	1	36	-2.0	-113.18	327.83	-0.51	-113.69
COC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=C2)C=C1	REAL300004639595	1	43	-2.0	-102.39	383.90	0.56	-101.83
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@@H](CO)C(=O)[O-]	REAL300004639676	0	32	-2.0	-110.65	299.57	-1.53	-112.18
CC1=C(CC(=O)N[C@@H](CO)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004639686	1	38	-2.0	-117.30	338.20	-0.31	-117.61
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CO)C(=O)[O-]	REAL300004639689	0	38	-2.0	-120.17	336.61	0.08	-120.09
O=C([O-])[C@H](CO)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300004639828	1	39	-2.0	-103.30	353.88	1.29	-102.01
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)N[C@@H](CO)C(=O)[O-])=C1	REAL300004639830	0	45	-2.0	-127.41	388.30	3.00	-124.41
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@@H](CO)C(=O)[O-]	REAL300004640153	0	38	-2.0	-122.90	339.53	0.64	-122.26
O=C([O-])[C@H](CO)NC(=O)C1=CC(Br)=C([O-])C(Br)=C1	REAL300004640222	0	25	-2.0	-97.35	274.03	0.60	-96.75
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](CO)C(=O)[O-])C=N1	REAL300004640324	0	31	-2.0	-106.99	294.20	-2.57	-109.56
O=C([O-])[C@H](CO)NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300004640367	1	38	-2.0	-99.46	349.40	-0.50	-99.96
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H](CO)C(=O)[O-])=N2)=C1	REAL300004640380	0	41	-2.0	-135.39	354.15	2.50	-132.89
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CO)C(=O)[O-])=N2)C=C1	REAL300004640381	0	41	-2.0	-133.63	354.22	2.47	-131.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300004640416	0	35	-2.0	-129.60	315.86	1.54	-128.06
O=C([O-])[C@H](CO)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004640419	0	32	-2.0	-130.84	300.44	0.60	-130.24
O=C([O-])[C@H](CO)NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300004640440	0	32	-2.0	-98.85	315.91	-1.28	-100.13
O=C([O-])[C@H](CO)NC(=O)C1=CN=C(I)C([O-])=C1	REAL300004640462	0	24	-2.0	-102.37	255.02	-1.53	-103.90
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](CO)C(=O)[O-])=N2)=C1	REAL300004640495	0	35	-2.0	-138.17	318.78	1.19	-136.98
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CO)C(=O)[O-])=N1	REAL300004640496	0	38	-2.0	-136.42	328.30	2.33	-134.09
CC1=C(CC(=O)N[C@@H](CO)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004640512	1	38	-2.0	-115.77	337.95	-0.38	-116.15
CCOC1=CC(C(=O)N[C@@H](CO)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004640569	1	32	-2.0	-104.98	300.30	0.86	-104.12
O=C([O-])[C@H](CO)NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300004640573	0	35	-2.0	-139.37	323.93	1.97	-137.40
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CO)C(=O)[O-])=N2)C=C1	REAL300004640581	0	36	-2.0	-133.53	323.37	-0.12	-133.65
CC1=C(C(=O)N[C@@H](CO)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004641057	0	33	-2.0	-117.78	298.31	-1.05	-118.83
CC1=C(CCC(=O)NCC(C)(O)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300004656182	1	48	-2.0	-98.07	391.29	2.57	-95.50
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300004656503	0	38	-2.0	-100.68	333.04	0.33	-100.35
CC(O)(CNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300004656755	1	42	-2.0	-96.32	378.81	2.58	-93.74
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)(O)C(=O)[O-]	REAL300004656796	0	38	-2.0	-101.58	333.53	0.60	-100.98
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300004656837	1	40	-2.0	-106.02	355.51	5.52	-100.50
CC(O)(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300004656886	1	42	-2.0	-89.11	379.01	2.65	-86.46
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)(O)C(=O)[O-])C=C1	REAL300004656888	1	45	-2.0	-91.24	392.68	3.35	-87.89
CC(O)(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300004657006	1	42	-2.0	-95.43	372.62	2.59	-92.84
CC(O)(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300004657007	1	42	-2.0	-99.50	372.38	2.54	-96.96
CC1=CC(C(=O)NCC(C)(O)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300004657020	0	38	-2.0	-80.91	353.63	0.72	-80.19
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC(C)(O)C(=O)[O-])C=C2)C=C1	REAL300004657148	1	45	-2.0	-91.89	394.18	3.26	-88.63
CC(O)(CNC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300004657232	0	39	-2.0	-96.12	364.54	1.59	-94.53
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)(O)C(=O)[O-])O1	REAL300004657249	1	41	-2.0	-87.33	358.12	-1.07	-88.40
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC(C)(O)C(=O)[O-])O1	REAL300004657250	1	32	-2.0	-86.84	304.50	-3.59	-90.43
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)(O)C(=O)[O-])=C2)C=C1	REAL300004657367	1	45	-2.0	-103.00	393.79	3.18	-99.82
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC(C)(O)C(=O)[O-])=C2)=C1	REAL300004657407	1	45	-2.0	-103.40	393.79	3.19	-100.21
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC(C)(O)C(=O)[O-])=C1	REAL300004657478	0	42	-2.0	-106.33	367.75	-1.45	-107.78
CC(O)(CNC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004657527	0	35	-2.0	-100.14	312.06	-0.30	-100.44
CC(O)(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300004657534	0	39	-2.0	-97.96	364.31	1.53	-96.43
CC(O)(CNC(=O)CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300004657535	0	42	-2.0	-106.49	388.96	2.23	-104.26
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC(C)(O)C(=O)[O-])=CS1	REAL300004657853	1	39	-2.0	-101.05	346.24	0.81	-100.24
CC(O)(CNC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004658034	0	35	-2.0	-93.74	318.06	-0.27	-94.01
CC1=C(CC(=O)NCC(C)(O)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004658042	1	41	-2.0	-106.46	356.69	0.95	-105.51
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC(C)(O)C(=O)[O-]	REAL300004658047	0	41	-2.0	-102.09	355.02	1.38	-100.71
CC1=C(C(=O)NCC(C)(O)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300004658100	1	41	-2.0	-95.43	336.14	1.18	-94.25
CC(O)(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300004658205	1	42	-2.0	-91.22	372.77	2.58	-88.64
CC(O)(CNC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004658645	0	41	-2.0	-105.08	357.54	1.91	-103.17
CC(O)(CNC(=O)C1=CC(Br)=C([O-])C(Br)=C1)C(=O)[O-]	REAL300004658729	0	28	-2.0	-83.35	292.45	1.91	-81.44
CC(O)(CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004658782	1	31	-2.0	-101.03	288.21	3.18	-97.85
CC(O)(CNC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300004658859	0	34	-2.0	-92.58	313.11	-1.28	-93.86
CC(O)(CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300004658915	1	41	-2.0	-87.63	367.81	0.81	-86.82
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC(C)(O)C(=O)[O-])=N2)=C1	REAL300004658930	0	44	-2.0	-113.54	372.29	3.73	-109.81
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC(C)(O)C(=O)[O-])=N2)C=C1	REAL300004658931	0	44	-2.0	-112.20	372.23	3.73	-108.47
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300004658989	0	38	-2.0	-109.09	339.76	2.82	-106.27
CC(O)(CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300004658992	0	35	-2.0	-110.06	318.44	1.88	-108.18
CC(O)(CNC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300004659020	0	35	-2.0	-84.55	333.92	-0.04	-84.59
CC(O)(CNC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300004659052	0	27	-2.0	-87.38	273.16	-0.31	-87.69
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC(C)(O)C(=O)[O-])=N2)=C1	REAL300004659092	0	38	-2.0	-116.54	336.79	2.45	-114.09
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC(C)(O)C(=O)[O-])=N1	REAL300004659093	0	41	-2.0	-114.96	353.28	3.55	-111.41
CC1=C(CC(=O)NCC(C)(O)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004659119	1	41	-2.0	-104.95	355.96	0.90	-104.05
CCOC1=CC(C(=O)NCC(C)(O)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004659194	1	35	-2.0	-90.81	318.72	2.15	-88.66
CC(O)(CNC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004659198	0	38	-2.0	-117.02	341.93	3.25	-113.77
COC1=CC=C(N2C=C([O-])C(C(=O)NCC(C)(O)C(=O)[O-])=N2)C=C1	REAL300004659204	0	39	-2.0	-112.22	341.51	1.10	-111.12
C[N-]S(=O)(=O)C1=CC(C(=O)NCC(C)(O)C(=O)[O-])=CO1	REAL300004659219	1	32	-2.0	-92.46	303.23	-3.68	-96.14
CC(O)(CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300004659698	0	28	-2.0	-97.36	282.27	3.22	-94.14
CC1=C(C(=O)NCC(C)(O)C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004659879	0	36	-2.0	-98.33	316.37	0.27	-98.06
O=C([O-])C1=CC=CC(NC2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)=C1	REAL300004664410	1	43	-2.0	-98.54	357.78	6.76	-91.78
O=C([O-])C1=CC=CC(NC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300004664480	0	43	-2.0	-95.33	356.41	5.20	-90.13
O=C([O-])C1=CC=CC(NC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300004664480	1	43	-2.0	-95.33	356.47	5.22	-90.11
O=C([O-])C1=CC=CC(NC2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)=C1	REAL300004664556	1	48	-2.0	-95.83	392.81	6.18	-89.65
O=C([O-])C1=CC=CC(NC2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)=C1	REAL300004664574	1	42	-2.0	-101.43	347.28	4.81	-96.62
O=C([O-])C1=CC=CC(NC2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)=C1	REAL300004664683	1	48	-2.0	-111.49	390.34	9.72	-101.77
O=C([O-])C1=CC=CC(NC2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)=C1	REAL300004664921	0	43	-2.0	-96.95	375.46	7.36	-89.59
COC1=C(C(=O)N2CCC(NC3=CC=CC(C(=O)[O-])=C3)CC2)NC(=O)[N-]C1=O	REAL300004664940	1	46	-2.0	-98.69	387.41	1.32	-97.37
O=C([O-])C1=CC=CC(NC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300004665016	0	46	-2.0	-101.88	377.91	5.99	-95.89
O=C([O-])C1=CC=CC(NC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300004665016	1	46	-2.0	-101.87	377.97	6.00	-95.87
O=C([O-])C1=CC=CC(NC2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)=C1	REAL300004665045	0	43	-2.0	-95.30	367.99	7.27	-88.03
O=C([O-])C1=CC=CC(NC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=C1	REAL300004665177	0	46	-2.0	-91.20	385.82	6.25	-84.95
O=C([O-])C1=CC=CC(NC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=C1	REAL300004665177	1	46	-2.0	-91.22	385.89	6.25	-84.97
O=C([O-])C1=CC=CC(NC2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)=C1	REAL300004665361	0	41	-2.0	-87.99	340.33	5.24	-82.75
COCC1=NC=C(C(=O)N2CCC(NC3=CC=CC(C(=O)[O-])=C3)CC2)C(=O)[N-]1	REAL300004665384	1	48	-2.0	-95.21	394.90	3.77	-91.44
O=C([O-])C1=CC=CC(NC2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)=C1	REAL300004665420	1	51	-2.0	-107.11	414.27	6.82	-100.29
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300004680660	1	39	-2.0	-100.10	338.49	4.37	-95.73
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=CC(OCC(=O)[O-])=C1	REAL300004680661	0	43	-2.0	-102.09	369.57	4.64	-97.45
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=CC(C(=O)[O-])=C1	REAL300004680662	1	39	-2.0	-104.06	338.50	4.36	-99.70
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C(=O)[O-])S1	REAL300004680663	0	36	-2.0	-99.15	332.79	3.53	-95.62
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=CC(C(=O)[O-])=N1	REAL300004680664	0	38	-2.0	-109.09	336.61	2.64	-106.45
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CCC1=CC=C(C(=O)[O-])C=C1	REAL300004680665	1	45	-2.0	-105.42	384.56	5.86	-99.56
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=NC(C(=O)[O-])=C1	REAL300004680666	0	38	-2.0	-105.50	334.58	2.61	-102.89
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300004680667	1	43	-2.0	-103.42	373.01	5.55	-97.87
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300004680668	0	41	-2.0	-96.02	366.65	5.02	-91.00
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1	REAL300004680669	0	41	-2.0	-96.02	366.65	5.02	-91.00
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CCC1=CC=CC=C1C(=O)[O-]	REAL300004680670	1	45	-2.0	-108.26	376.02	5.59	-102.67
CC1=CC(C(=O)NCC2=C(C)N3[N-]C(=O)C=C3N=C2C)=CC(C)=C1OCC(=O)[O-]	REAL300004680671	1	49	-2.0	-101.03	415.10	6.36	-94.67
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CC1=CC=CC(C(=O)[O-])=C1	REAL300004680672	1	42	-2.0	-110.85	363.17	5.04	-105.81
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1(C(=O)[O-])CC1	REAL300004680673	1	36	-2.0	-96.84	311.14	2.93	-93.91
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1CCCC(C(=O)[O-])C1	REAL300004680674	1	45	-2.0	-106.63	358.13	4.44	-102.19
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C(=O)[O-])N=C1	REAL300004680675	0	38	-2.0	-102.93	335.88	2.76	-100.17
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300004680676	0	38	-2.0	-96.83	337.41	2.79	-94.04
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C(=O)[O-])C=C1F	REAL300004680678	0	39	-2.0	-98.16	343.01	4.44	-93.72
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CN=C(C(=O)[O-])C=N1	REAL300004680679	0	37	-2.0	-97.30	332.99	0.94	-96.36
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300004680680	1	45	-2.0	-101.38	364.66	4.61	-96.77
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1CCC(C(=O)[O-])CC1	REAL300004680681	1	45	-2.0	-109.48	356.75	4.41	-105.07
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CC1=CC=C(C(=O)[O-])C=C1	REAL300004680682	1	42	-2.0	-108.04	363.16	5.05	-102.99
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CN1C=C(C(=O)[O-])N=N1	REAL300004680683	1	38	-2.0	-110.26	340.31	1.02	-109.24
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C(=O)[O-])C(C)=N1	REAL300004680684	0	41	-2.0	-95.17	352.16	3.15	-92.02
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C(=O)[O-])C=C1	REAL300004680685	1	39	-2.0	-100.10	338.49	4.37	-95.73
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300004680686	1	42	-2.0	-104.05	348.47	4.09	-99.96
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=CC(CC(=O)[O-])=C1	REAL300004680687	1	42	-2.0	-102.17	360.68	5.13	-97.04
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=C(CC(=O)[O-])OC=C1	REAL300004680688	0	39	-2.0	-105.22	340.95	3.27	-101.95
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC(C(=O)[O-])=CC=N1	REAL300004680689	0	38	-2.0	-98.46	336.09	2.65	-95.81
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C12CC(C(=O)[O-])(C1)C2	REAL300004680690	1	40	-2.0	-100.43	343.44	4.10	-96.33
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1(C(=O)[O-])CCC1	REAL300004680691	1	39	-2.0	-96.10	325.30	3.35	-92.75
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C(C)(C)C(=O)[O-]	REAL300004680692	1	38	-2.0	-102.22	318.25	3.62	-98.60
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CC1CCC(C(=O)[O-])CC1	REAL300004680693	1	48	-2.0	-104.58	383.30	5.30	-99.28
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2	REAL300004680694	1	46	-2.0	-103.17	372.50	4.76	-98.41
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300004680695	1	49	-2.0	-101.89	382.09	5.27	-96.62
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CCCC(=O)[O-]	REAL300004680697	1	38	-2.0	-102.77	325.30	2.97	-99.80
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CC(C)CC(=O)[O-]	REAL300004680698	1	41	-2.0	-101.77	337.90	3.42	-98.35
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21	REAL300004680699	0	41	-2.0	-113.97	360.36	3.67	-110.30
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300004680700	1	46	-2.0	-107.77	390.64	5.07	-102.70
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1(C(=O)[O-])CCCC1	REAL300004680701	1	42	-2.0	-97.01	342.66	4.04	-92.97
CC1=C(C(=O)NCC2=C(C)N3[N-]C(=O)C=C3N=C2C)C=C(C(=O)[O-])O1	REAL300004680702	0	39	-2.0	-102.93	343.14	3.67	-99.26
CC1=C(C(=O)[O-])OC(C(=O)NCC2=C(C)N3[N-]C(=O)C=C3N=C2C)=C1	REAL300004680703	0	39	-2.0	-102.13	344.36	3.50	-98.63
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CN1C=C(C(=O)[O-])C=N1	REAL300004680704	1	39	-2.0	-107.25	345.23	2.51	-104.74
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C=CC(=O)[O-])O1	REAL300004680705	0	40	-2.0	-107.03	359.56	4.11	-102.92
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300004680706	1	46	-2.0	-96.74	371.00	5.11	-91.63
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(OCC(=O)[O-])C=C1	REAL300004680707	1	43	-2.0	-99.54	369.50	4.65	-94.89
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CCSCC(=O)[O-]	REAL300004680708	1	39	-2.0	-98.98	348.33	3.56	-95.42
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C(=O)[O-])C=N1	REAL300004680709	0	38	-2.0	-96.83	337.41	2.79	-94.04
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)COCC(=O)[O-]	REAL300004680710	1	36	-2.0	-104.78	317.43	2.22	-102.56
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC(C(=O)[O-])=NN1C	REAL300004680711	1	39	-2.0	-106.65	342.44	2.19	-104.46
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1	REAL300004680712	1	43	-2.0	-106.26	360.86	3.88	-102.38
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(CC(=O)[O-])C=C1	REAL300004680714	1	42	-2.0	-99.95	360.68	5.13	-94.82
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C=CC(=O)[O-])C=C1	REAL300004680715	1	43	-2.0	-101.98	370.57	5.65	-96.33
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C=CC1=CC(C(=O)[O-])=CO1	REAL300004680716	1	40	-2.0	-100.07	357.57	3.80	-96.27
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=CC=C1CCC(=O)[O-]	REAL300004680717	1	45	-2.0	-107.17	373.48	5.90	-101.27
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C=CC1=CC=C(C(=O)[O-])O1	REAL300004680718	1	40	-2.0	-103.65	359.10	4.17	-99.48
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300004680719	1	42	-2.0	-104.05	348.47	4.09	-99.96
CC1=CC=C(C(=O)NCC2=C(C)N3[N-]C(=O)C=C3N=C2C)C=C1C(=O)[O-]	REAL300004680720	1	42	-2.0	-103.50	354.49	4.89	-98.61
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CN=CC(C(=O)[O-])=C1	REAL300004680721	0	38	-2.0	-98.52	333.66	2.58	-95.94
CC1=NC=C(C(=O)[O-])C=C1C(=O)NCC1=C(C)N2[N-]C(=O)C=C2N=C1C	REAL300004680722	0	41	-2.0	-101.94	351.45	3.39	-98.55
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CN1C=CC(C(=O)[O-])=N1	REAL300004680723	1	39	-2.0	-117.01	344.57	2.54	-114.47
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CCCN1C=CC(C(=O)[O-])=N1	REAL300004680724	1	45	-2.0	-117.28	388.18	3.91	-113.37
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300004680725	1	39	-2.0	-107.24	327.06	3.33	-103.91
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1	REAL300004680726	1	46	-2.0	-106.10	382.34	4.32	-101.78
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1	REAL300004680727	1	46	-2.0	-100.85	382.81	3.33	-97.52
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-]	REAL300004680728	1	39	-2.0	-107.24	327.06	3.33	-103.91
CC1=C(C(=O)NCC2=C(C)N3[N-]C(=O)C=C3N=C2C)OC(C(=O)[O-])=C1	REAL300004680729	0	39	-2.0	-101.58	342.73	3.44	-98.14
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-]	REAL300004680730	1	47	-2.0	-97.63	358.83	5.77	-91.86
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C(C(=O)[O-])C(C)C	REAL300004680731	1	41	-2.0	-98.85	333.94	3.46	-95.39
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300004680732	1	45	-2.0	-106.98	352.02	5.23	-101.75
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1	REAL300004680734	1	46	-2.0	-99.94	377.90	6.26	-93.68
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1	REAL300004680735	1	46	-2.0	-107.77	390.64	5.07	-102.70
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21	REAL300004680736	1	46	-2.0	-115.05	396.51	6.48	-108.57
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1CC2(CC2C(=O)[O-])C1	REAL300004680737	1	43	-2.0	-110.19	356.44	5.53	-104.66
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1	REAL300004680738	1	39	-2.0	-102.43	330.27	3.36	-99.07
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C	REAL300004680739	1	45	-2.0	-109.66	368.20	5.56	-104.10
CC1=CC=C(C(=O)[O-])C=C1C(=O)NCC1=C(C)N2[N-]C(=O)C=C2N=C1C	REAL300004680740	1	42	-2.0	-107.58	356.05	5.19	-102.39
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1CC(C)(C(=O)[O-])C1	REAL300004680741	1	42	-2.0	-98.47	347.66	3.77	-94.70
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=C(C(=O)[O-])SC=C1	REAL300004680742	0	36	-2.0	-107.15	327.79	4.47	-102.68
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC(C(=O)[O-])=NN1	REAL300004680743	0	36	-2.0	-102.74	323.87	0.94	-101.80
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CN=CC(C(=O)[O-])=C1C	REAL300004680744	0	41	-2.0	-97.31	345.67	3.30	-94.01
CCCC(C(=O)[O-])C(=O)NCC1=C(C)N2[N-]C(=O)C=C2N=C1C	REAL300004680745	1	41	-2.0	-101.48	344.78	3.59	-97.89
CC1=CC(C(=O)[O-])=CC=C1C(=O)NCC1=C(C)N2[N-]C(=O)C=C2N=C1C	REAL300004680746	1	42	-2.0	-100.56	354.51	5.04	-95.52
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C(=O)[O-])C=C1Cl	REAL300004680747	0	39	-2.0	-97.99	350.97	4.87	-93.12
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1CC2(CC(C(=O)[O-])C2)C1	REAL300004680748	1	46	-2.0	-102.23	379.48	5.21	-97.02
COC1=CC(C(=O)[O-])=NC(C(=O)NCC2=C(C)N3[N-]C(=O)C=C3N=C2C)=C1	REAL300004680749	0	42	-2.0	-106.37	367.85	2.12	-104.25
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(C(=O)[O-])N1C	REAL300004680750	1	40	-2.0	-99.13	342.62	3.74	-95.39
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1(C(=O)[O-])CC=CC1	REAL300004680751	1	40	-2.0	-97.04	335.01	3.90	-93.14
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=C(CCC(=O)[O-])C=C1	REAL300004680752	1	45	-2.0	-99.21	382.07	5.94	-93.27
CC1=NNC(C(=O)NCC2=C(C)N3[N-]C(=O)C=C3N=C2C)=C1C(=O)[O-]	REAL300004680753	0	39	-2.0	-102.70	334.03	2.18	-100.52
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CC1(CC(=O)[O-])CC1	REAL300004680754	1	42	-2.0	-99.03	350.04	4.11	-94.92
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CSC(C(=O)[O-])=N1	REAL300004680755	0	35	-2.0	-102.67	328.16	1.51	-101.16
COC(C(=O)[O-])C(=O)NCC1=C(C)N2[N-]C(=O)C=C2N=C1C	REAL300004680756	1	36	-2.0	-97.47	314.53	2.07	-95.40
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@@]1(C)C[C@H]1C(=O)[O-]	REAL300004680757	1	39	-2.0	-104.59	334.03	3.31	-101.28
CC1=C(C(=O)NCC2=C(C)N3[N-]C(=O)C=C3N=C2C)C=C(C(=O)[O-])S1	REAL300004680758	1	39	-2.0	-104.29	349.26	4.37	-99.92
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C	REAL300004680759	0	42	-2.0	-100.76	367.79	4.93	-95.83
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1	REAL300004680760	1	42	-2.0	-105.89	373.66	5.63	-100.26
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CCC1=CC=CN=C1C(=O)[O-]	REAL300004680761	1	44	-2.0	-112.21	372.13	3.83	-108.38
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C12CC(C(=O)[O-])(C1)CO2	REAL300004680762	1	41	-2.0	-96.22	348.44	1.96	-94.26
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C=CC1=CC=C(C(=O)[O-])C=C1	REAL300004680763	1	43	-2.0	-103.42	373.01	5.55	-97.87
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1(C(=O)[O-])CC1C	REAL300004680764	1	39	-2.0	-97.17	329.25	3.54	-93.63
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1	REAL300004680765	1	46	-2.0	-96.74	371.00	5.11	-91.63
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=C(C(=O)[O-])C=NN1C	REAL300004680766	0	39	-2.0	-102.10	344.47	1.79	-100.31
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2	REAL300004680767	1	40	-2.0	-106.42	365.17	3.54	-102.88
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1	REAL300004680768	1	40	-2.0	-100.99	363.85	3.51	-97.48
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2	REAL300004680769	1	40	-2.0	-104.69	355.02	2.51	-102.18
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=CC(C(=O)[O-])=C1C	REAL300004680770	1	42	-2.0	-101.39	348.65	4.92	-96.47
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C=CC1=CC=C(C(=O)[O-])N=C1	REAL300004680771	1	42	-2.0	-106.31	368.79	3.78	-102.53
C=C1CCC1(C(=O)[O-])C(=O)NCC1=C(C)N2[N-]C(=O)C=C2N=C1C	REAL300004680772	1	40	-2.0	-98.92	339.88	3.73	-95.19
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC(C(=O)[O-])=CS1	REAL300004680773	0	36	-2.0	-101.44	333.22	3.53	-97.91
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300004680774	1	44	-2.0	-104.63	358.46	2.97	-101.66
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12	REAL300004680775	1	45	-2.0	-101.80	374.49	6.43	-95.37
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-]	REAL300004680776	1	45	-2.0	-108.98	367.76	4.50	-104.48
CC1=CC(C(=O)[O-])=CC=C1CC(=O)NCC1=C(C)N2[N-]C(=O)C=C2N=C1C	REAL300004680777	1	45	-2.0	-108.58	379.87	5.50	-103.08
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CC1=CC(C(=O)[O-])=CS1	REAL300004680778	1	39	-2.0	-108.46	354.71	4.18	-104.28
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1	REAL300004680779	1	42	-2.0	-110.73	367.71	5.08	-105.65
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	REAL300004680780	1	42	-2.0	-101.06	345.17	3.90	-97.16
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2	REAL300004680781	1	49	-2.0	-101.89	382.09	5.27	-96.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC=N2)O1	REAL300004686847	1	40	-2.0	-104.89	354.79	1.38	-103.51
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)(CC(=O)[O-])C2=CC=CC=N2)=CS1	REAL300004687295	1	47	-2.0	-120.19	396.55	5.81	-114.38
CC(CC(=O)[O-])(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC=N1	REAL300004688380	1	36	-2.0	-107.00	309.19	5.66	-101.34
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC=N1	REAL300004688391	1	39	-2.0	-121.04	339.52	8.04	-113.00
CC(CC(=O)[O-])(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=N1	REAL300004688425	0	36	-2.0	-103.30	306.66	3.71	-99.59
CC(CC(=O)[O-])(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=N1	REAL300004688425	1	36	-2.0	-103.33	306.72	3.73	-99.60
CC(CC(=O)[O-])(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=CC=CC=N1	REAL300004688496	0	42	-2.0	-111.33	364.43	3.76	-107.57
CC(CC(=O)[O-])(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=CC=N1	REAL300004688521	1	41	-2.0	-118.87	342.01	5.22	-113.65
CC(CC(=O)[O-])(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC=N1	REAL300004688558	1	35	-2.0	-109.91	298.04	3.76	-106.15
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC=N2)=N1	REAL300004688639	0	46	-2.0	-133.15	391.51	7.90	-125.25
CC(CC(=O)[O-])(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC=N1	REAL300004688644	0	43	-2.0	-134.25	370.18	6.94	-127.31
CC(CC(=O)[O-])(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC=N1	REAL300004688675	1	41	-2.0	-136.20	342.31	7.63	-128.57
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C3=CC=CC=N3)=N2)=C1	REAL300004688812	0	46	-2.0	-140.90	387.50	7.49	-133.41
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC=N2)=N1	REAL300004688813	0	49	-2.0	-139.90	398.03	8.66	-131.24
CC(CC(=O)[O-])(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC=N1	REAL300004688924	0	36	-2.0	-103.75	325.20	6.22	-97.53
COC1=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC=N2)NC(=O)[N-]C1=O	REAL300004688936	1	39	-2.0	-106.91	331.17	1.12	-105.79
CC(CC(=O)[O-])(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL300004689016	0	39	-2.0	-108.68	328.16	4.50	-104.18
CC(CC(=O)[O-])(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL300004689016	1	39	-2.0	-108.71	328.21	4.51	-104.20
CC(CC(=O)[O-])(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=N1	REAL300004689048	0	36	-2.0	-104.44	318.99	6.15	-98.29
CCOC1=CC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC=N2)=CC(Cl)=C1[O-]	REAL300004689052	1	43	-2.0	-109.06	370.04	7.19	-101.87
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C3=CC=CC=N3)=N2)C=C1	REAL300004689058	0	47	-2.0	-136.52	393.24	6.17	-130.35
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC=N2)=CO1	REAL300004689074	1	40	-2.0	-107.76	354.96	1.40	-106.36
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=N1	REAL300004689215	0	39	-2.0	-98.19	338.72	4.31	-93.88
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=N1	REAL300004689215	1	39	-2.0	-98.17	338.79	4.31	-93.86
CC(CC(=O)[O-])(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC=N1	REAL300004689453	0	34	-2.0	-107.79	290.25	4.19	-103.60
COCC1=NC=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=CC=N2)C(=O)[N-]1	REAL300004689477	1	41	-2.0	-117.33	344.10	2.81	-114.52
CC(CC(=O)[O-])(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CC=N1	REAL300004689520	1	44	-2.0	-119.26	358.01	5.71	-113.55
CC(CC(=O)[O-])(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=N1	REAL300004689768	0	36	-2.0	-117.46	333.59	8.07	-109.39
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=NC=C2)O1	REAL300004691359	1	40	-2.0	-96.83	352.74	0.86	-95.97
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)(CC(=O)[O-])C2=CC=NC=C2)=CS1	REAL300004691807	1	47	-2.0	-104.19	394.75	5.41	-98.78
CC(CC(=O)[O-])(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=NC=C1	REAL300004692892	1	36	-2.0	-98.05	306.13	5.10	-92.95
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=NC=C1	REAL300004692903	1	39	-2.0	-111.62	336.69	7.62	-104.00
CC(CC(=O)[O-])(NC(=O)CCC1=N[N-]N=N1)C1=CC=NC=C1	REAL300004692937	0	36	-2.0	-94.92	303.80	3.31	-91.61
CC(CC(=O)[O-])(NC(=O)CCC1=NN=N[N-]1)C1=CC=NC=C1	REAL300004692937	1	36	-2.0	-94.93	303.85	3.32	-91.61
CC(CC(=O)[O-])(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=CC=NC=C1	REAL300004693008	0	42	-2.0	-103.29	361.58	3.34	-99.95
CC(CC(=O)[O-])(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=NC=C1	REAL300004693033	1	41	-2.0	-110.32	339.18	4.82	-105.50
CC(CC(=O)[O-])(NC(=O)C1=CN=CC([O-])=C1)C1=CC=NC=C1	REAL300004693070	1	35	-2.0	-100.34	294.98	3.21	-97.13
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C2=CC=NC=C2)=N1	REAL300004693151	0	46	-2.0	-122.35	388.43	7.33	-115.02
CC(CC(=O)[O-])(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=NC=C1	REAL300004693156	0	43	-2.0	-123.05	367.13	6.38	-116.67
CC(CC(=O)[O-])(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=NC=C1	REAL300004693187	1	41	-2.0	-125.77	340.28	7.10	-118.67
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C3=CC=NC=C3)=N2)=C1	REAL300004693324	0	46	-2.0	-130.62	385.47	6.96	-123.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C2=CC=NC=C2)=N1	REAL300004693325	0	49	-2.0	-128.99	401.97	8.05	-120.94
CC(CC(=O)[O-])(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=NC=C1	REAL300004693436	0	36	-2.0	-94.73	322.11	5.66	-89.07
COC1=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=NC=C2)NC(=O)[N-]C1=O	REAL300004693448	1	39	-2.0	-97.98	328.30	0.58	-97.40
CC(CC(=O)[O-])(NC(=O)CCCC1=N[N-]N=N1)C1=CC=NC=C1	REAL300004693528	0	39	-2.0	-99.84	325.30	4.09	-95.75
CC(CC(=O)[O-])(NC(=O)CCCC1=NN=N[N-]1)C1=CC=NC=C1	REAL300004693528	1	39	-2.0	-99.90	325.35	4.10	-95.80
CC(CC(=O)[O-])(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=NC=C1	REAL300004693560	0	36	-2.0	-95.33	315.93	5.59	-89.74
CCOC1=CC(C(=O)NC(C)(CC(=O)[O-])C2=CC=NC=C2)=CC(Cl)=C1[O-]	REAL300004693564	1	43	-2.0	-99.94	366.96	6.63	-93.31
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)(CC(=O)[O-])C3=CC=NC=C3)=N2)C=C1	REAL300004693570	0	47	-2.0	-125.42	390.19	5.61	-119.81
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)(CC(=O)[O-])C2=CC=NC=C2)=CO1	REAL300004693586	1	40	-2.0	-99.55	352.10	1.01	-98.54
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=NC=C1	REAL300004693727	0	39	-2.0	-89.69	335.68	3.74	-85.95
CC(CC(=O)[O-])(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=NC=C1	REAL300004693727	1	39	-2.0	-89.65	335.76	3.75	-85.90
CC(CC(=O)[O-])(NC(=O)C1=C[N-]N=CC1=O)C1=CC=NC=C1	REAL300004693965	0	34	-2.0	-99.11	287.42	3.79	-95.32
COCC1=NC=C(C(=O)NC(C)(CC(=O)[O-])C2=CC=NC=C2)C(=O)[N-]1	REAL300004693989	1	41	-2.0	-108.80	341.28	2.41	-106.39
CC(CC(=O)[O-])(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=NC=C1	REAL300004694032	1	44	-2.0	-108.88	354.97	5.15	-103.73
CC(CC(=O)[O-])(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=NC=C1	REAL300004694280	0	36	-2.0	-108.02	330.76	7.66	-100.36
CC1=C(CCC(=O)N2CCCC(O)C2C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300004695069	1	52	-2.0	-128.81	405.25	4.99	-123.82
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(O)C2C(=O)[O-])C=C1	REAL300004695620	1	44	-2.0	-139.75	367.11	8.34	-131.41
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(O)C2C(=O)[O-])O1	REAL300004695982	1	45	-2.0	-105.60	368.22	1.08	-104.52
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(O)C2C(=O)[O-])O1	REAL300004695983	1	36	-2.0	-104.52	314.60	-1.45	-105.97
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCCC(O)C2C(=O)[O-])=CS1	REAL300004696481	1	43	-2.0	-137.98	360.08	3.25	-134.73
CC1=C(CC(=O)N2CCCC(O)C2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004696673	1	45	-2.0	-144.09	366.84	4.26	-139.83
O=C([O-])C1C(O)CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004697462	1	35	-2.0	-144.78	298.37	4.66	-140.12
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(O)C2C(=O)[O-])C=N1	REAL300004697539	0	38	-2.0	-118.93	328.59	1.94	-116.99
O=C([O-])C1C(O)CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004697557	1	37	-2.0	-138.56	306.01	2.07	-136.49
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(O)C3C(=O)[O-])=N2)=C1	REAL300004697605	0	48	-2.0	-155.90	380.49	7.14	-148.76
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(O)C3C(=O)[O-])=N2)C=C1	REAL300004697606	0	48	-2.0	-153.49	382.73	6.21	-147.28
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300004697659	0	42	-2.0	-147.31	349.22	5.16	-142.15
O=C([O-])C1C(O)CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004697664	0	39	-2.0	-153.46	326.63	5.28	-148.18
O=C([O-])C1C(O)CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004697684	1	37	-2.0	-154.55	304.95	4.58	-149.97
O=C([O-])C1C(O)CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300004697702	0	39	-2.0	-113.96	346.71	2.13	-111.83
O=C([O-])C1C(O)CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300004697742	0	31	-2.0	-113.73	289.14	2.94	-110.79
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(O)C3C(=O)[O-])=N2)=C1	REAL300004697792	0	42	-2.0	-158.95	347.29	4.94	-154.01
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(O)C2C(=O)[O-])=N1	REAL300004697793	0	45	-2.0	-156.93	363.27	6.01	-150.92
CC1=C(CC(=O)N2CCCC(O)C2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004697835	1	45	-2.0	-142.43	367.02	4.26	-138.17
O=C([O-])C1C(O)CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004697872	0	32	-2.0	-111.71	283.80	4.17	-107.54
COC1=C(C(=O)N2CCCC(O)C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300004697878	1	35	-2.0	-111.50	292.12	-1.51	-113.01
CCOC1=CC(C(=O)N2CCCC(O)C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004697955	1	39	-2.0	-117.27	328.37	5.13	-112.14
O=C([O-])C1C(O)CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300004697958	0	42	-2.0	-157.50	339.34	5.89	-151.61
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(O)C3C(=O)[O-])=N2)C=C1	REAL300004697963	0	43	-2.0	-153.08	352.01	3.59	-149.49
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(O)C2C(=O)[O-])=CO1	REAL300004697974	1	36	-2.0	-120.32	312.19	-0.46	-120.78
O=C([O-])C1C(O)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004698079	0	35	-2.0	-102.91	295.15	3.05	-99.86
O=C([O-])C1C(O)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004698079	1	35	-2.0	-102.92	295.22	3.06	-99.86
COCC1=NC=C(C(=O)N2CCCC(O)C2C(=O)[O-])C(=O)[N-]1	REAL300004698295	1	37	-2.0	-136.37	307.85	-0.28	-136.65
O=C([O-])C1C(O)CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004698331	1	40	-2.0	-137.24	327.14	2.56	-134.68
O=C([O-])C1C(O)CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004698526	0	32	-2.0	-114.58	290.52	4.05	-110.53
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300004699933	0	36	-2.0	-91.54	323.81	1.86	-89.68
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(OCC(=O)[O-])=C2)=CC=C1[O-]	REAL300004699934	0	40	-2.0	-99.04	354.88	2.13	-96.91
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300004699935	0	36	-2.0	-102.05	323.81	1.85	-100.20
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])S2)=CC=C1[O-]	REAL300004699936	0	33	-2.0	-88.11	318.09	1.02	-87.09
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(C(=O)[O-])=N2)=CC=C1[O-]	REAL300004699937	0	35	-2.0	-96.78	321.91	0.14	-96.64
CNS(=O)(=O)C1=CC(NC(=O)CCC2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300004699938	0	42	-2.0	-96.05	369.60	3.36	-92.69
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=NC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300004699939	0	35	-2.0	-101.74	319.61	0.10	-101.64
CNS(=O)(=O)C1=CC(NC(=O)C=CC2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300004699940	0	40	-2.0	-94.50	358.29	3.06	-91.44
CNS(=O)(=O)C1=CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1[O-]	REAL300004699941	0	38	-2.0	-84.64	351.97	2.53	-82.11
CNS(=O)(=O)C1=CC(NC(=O)C2=CC(C(=O)[O-])=CC([N+](=O)[O-])=C2)=CC=C1[O-]	REAL300004699942	0	38	-2.0	-84.64	351.97	2.53	-82.11
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])O2)=CC=C1[O-]	REAL300004699943	0	33	-2.0	-88.38	309.94	0.27	-88.11
CNS(=O)(=O)C1=CC(NC(=O)CCC2=CC=CC=C2C(=O)[O-])=CC=C1[O-]	REAL300004699944	0	42	-2.0	-105.26	361.39	3.09	-102.17
CNS(=O)(=O)C1=CC(NC(=O)CC2=CC=CC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300004699945	0	39	-2.0	-105.77	348.48	2.54	-103.23
CNS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC2)=CC=C1[O-]	REAL300004699946	0	33	-2.0	-96.55	296.68	0.40	-96.15
CNS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC2)=CC=C1[O-]	REAL300004699947	0	33	-2.0	-96.55	296.68	0.40	-96.15
CNS(=O)(=O)C1=CC(NC(=O)C2CCCC(C(=O)[O-])C2)=CC=C1[O-]	REAL300004699948	0	42	-2.0	-107.42	343.18	1.94	-105.48
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])N=C2)=CC=C1[O-]	REAL300004699949	0	35	-2.0	-91.46	319.68	0.08	-91.38
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)=CC=C1[O-]	REAL300004699950	0	35	-2.0	-88.98	321.21	0.13	-88.85
CNS(=O)(=O)C1=CC(NC(=O)CC(C)(C)CC(=O)[O-])=CC=C1[O-]	REAL300004699951	0	41	-2.0	-95.23	332.96	1.29	-93.94
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2F)=CC=C1[O-]	REAL300004699952	0	36	-2.0	-90.54	328.32	1.93	-88.61
CNS(=O)(=O)C1=CC(NC(=O)C2=CN=C(C(=O)[O-])C=N2)=CC=C1[O-]	REAL300004699953	0	34	-2.0	-89.41	316.80	-1.72	-91.13
CNS(=O)(=O)C1=CC(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)=CC=C1[O-]	REAL300004699954	0	42	-2.0	-92.26	348.15	2.08	-90.18
CNS(=O)(=O)C1=CC(NC(=O)C2CCC(C(=O)[O-])CC2)=CC=C1[O-]	REAL300004699955	0	42	-2.0	-118.90	343.34	1.96	-116.94
CNS(=O)(=O)C1=CC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300004699956	0	39	-2.0	-103.98	348.47	2.55	-101.43
CNS(=O)(=O)C1=CC(NC(=O)CN2C=C(C(=O)[O-])N=N2)=CC=C1[O-]	REAL300004699957	0	35	-2.0	-107.66	325.62	-1.47	-109.13
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C(C)=N2)=CC=C1[O-]	REAL300004699958	0	38	-2.0	-88.72	337.55	0.65	-88.07
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300004699959	0	36	-2.0	-91.54	323.81	1.86	-89.68
CNS(=O)(=O)C1=CC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1[O-]	REAL300004699960	0	39	-2.0	-107.07	330.88	1.45	-105.62
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(CC(=O)[O-])=C2)=CC=C1[O-]	REAL300004699961	0	39	-2.0	-99.01	345.99	2.62	-96.39
CNS(=O)(=O)C1=CC(NC(=O)C2=C(CC(=O)[O-])OC=C2)=CC=C1[O-]	REAL300004699962	0	36	-2.0	-107.96	325.99	0.80	-107.16
CNS(=O)(=O)C1=CC(NC(=O)C2=C(CC(=O)[O-])OC=C2C)=CC=C1[O-]	REAL300004699963	0	39	-2.0	-100.34	353.09	1.41	-98.93
CNS(=O)(=O)C1=CC(NC(=O)C2=CC(C(=O)[O-])=CC=N2)=CC=C1[O-]	REAL300004699964	0	35	-2.0	-94.54	321.39	0.16	-94.38
CNS(=O)(=O)C1=CC(NC(=O)C23CC(C(=O)[O-])(C2)C3)=CC=C1[O-]	REAL300004699965	0	37	-2.0	-95.78	327.29	1.44	-94.34
CNS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CCC2)=CC=C1[O-]	REAL300004699966	0	36	-2.0	-99.03	310.85	0.83	-98.20
CNS(=O)(=O)C1=CC(NC(=O)C(C)(C)C(=O)[O-])=CC=C1[O-]	REAL300004699967	0	35	-2.0	-112.85	303.61	0.99	-111.86
CNS(=O)(=O)C1=CC(NC(=O)CC2CCC(C(=O)[O-])CC2)=CC=C1[O-]	REAL300004699968	0	45	-2.0	-105.80	368.62	2.80	-103.00
CNS(=O)(=O)C1=CC(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)=CC=C1[O-]	REAL300004699969	0	43	-2.0	-98.36	357.78	2.25	-96.11
CNS(=O)(=O)C1=CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)=CC=C1[O-]	REAL300004699970	0	46	-2.0	-91.83	367.11	2.75	-89.08
CNS(=O)(=O)C1=CC(NC(=O)CC(C)(C)CC(=O)[O-])=CC=C1[O-]	REAL300004699971	0	41	-2.0	-95.23	332.96	1.29	-93.94
CNS(=O)(=O)C1=CC(NC(=O)CCCC(=O)[O-])=CC=C1[O-]	REAL300004699972	0	35	-2.0	-100.08	310.61	0.47	-99.61
CNS(=O)(=O)C1=CC(NC(=O)CC(C)CC(=O)[O-])=CC=C1[O-]	REAL300004699973	0	38	-2.0	-98.38	323.21	0.91	-97.47
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=NC3=C(C(=O)[O-])C=NN32)=CC=C1[O-]	REAL300004699974	0	38	-2.0	-100.15	345.66	1.17	-98.98
CNS(=O)(=O)C1=CC(NC(=O)C2=NOC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300004699975	0	32	-2.0	-87.66	304.68	-0.57	-88.23
CNS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CCCC2)=CC=C1[O-]	REAL300004699976	0	39	-2.0	-96.00	325.29	1.44	-94.56
CNS(=O)(=O)C1=CC(NC(=O)C2=C(C)OC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300004699977	0	36	-2.0	-91.25	326.66	1.03	-90.22
CNS(=O)(=O)C1=CC(NC(=O)C2=CC(C)=C(C(=O)[O-])O2)=CC=C1[O-]	REAL300004699978	0	36	-2.0	-89.44	328.14	0.83	-88.61
CNS(=O)(=O)C1=CC(NC(=O)CN2C=C(C(=O)[O-])C=N2)=CC=C1[O-]	REAL300004699979	0	36	-2.0	-111.91	330.25	0.03	-111.88
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C=CC(=O)[O-])O2)=CC=C1[O-]	REAL300004699980	0	37	-2.0	-93.98	343.36	1.44	-92.54
CNS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)=CC=C1[O-]	REAL300004699981	0	43	-2.0	-96.52	355.18	2.54	-93.98
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(OCC(=O)[O-])C=C2)=CC=C1[O-]	REAL300004699982	0	40	-2.0	-91.71	354.56	2.15	-89.56
CNS(=O)(=O)C1=CC(NC(=O)CCSCC(=O)[O-])=CC=C1[O-]	REAL300004699983	0	36	-2.0	-91.81	333.64	1.06	-90.75
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=N2)=CC=C1[O-]	REAL300004699984	0	35	-2.0	-88.98	321.21	0.13	-88.85
CNS(=O)(=O)C1=CC(NC(=O)COCC(=O)[O-])=CC=C1[O-]	REAL300004699985	0	33	-2.0	-102.94	302.74	-0.36	-103.30
CNS(=O)(=O)C1=CC(NC(=O)C2=CC(C(=O)[O-])=NN2C)=CC=C1[O-]	REAL300004699986	0	36	-2.0	-98.24	324.43	-0.29	-98.53
CNS(=O)(=O)C1=CC(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)=CC=C1[O-]	REAL300004699987	0	40	-2.0	-107.39	346.04	1.29	-106.10
CNS(=O)(=O)C1=CC(NC(=O)C(C)(C)CCC(=O)[O-])=CC=C1[O-]	REAL300004699988	0	41	-2.0	-100.52	341.81	1.40	-99.12
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(CC(=O)[O-])C=C2)=CC=C1[O-]	REAL300004699989	0	39	-2.0	-92.44	345.73	2.65	-89.79
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C=CC(=O)[O-])C=C2)=CC=C1[O-]	REAL300004699990	0	40	-2.0	-96.39	355.87	3.16	-93.23
CNS(=O)(=O)C1=CC(NC(=O)C=CC2=CC(C(=O)[O-])=CO2)=CC=C1[O-]	REAL300004699991	0	37	-2.0	-97.86	342.87	1.32	-96.54
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=CC=C2CCC(=O)[O-])=CC=C1[O-]	REAL300004699992	0	42	-2.0	-120.47	358.20	3.36	-117.11
CNS(=O)(=O)C1=CC(NC(=O)COCC2=C(C(=O)[O-])N=CO2)=CC=C1[O-]	REAL300004699993	0	39	-2.0	-109.56	356.58	-2.47	-112.03
CNS(=O)(=O)C1=CC(NC(=O)C=CC2=CC=C(C(=O)[O-])O2)=CC=C1[O-]	REAL300004699994	0	37	-2.0	-92.79	344.10	1.69	-91.10
CNS(=O)(=O)C1=CC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1[O-]	REAL300004699995	0	39	-2.0	-107.07	330.88	1.45	-105.62
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C)C(C(=O)[O-])=C2)=CC=C1[O-]	REAL300004699996	0	39	-2.0	-103.59	343.48	2.49	-101.10
CNS(=O)(=O)C1=CC(NC(=O)C2=CN=CC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300004699997	0	35	-2.0	-93.53	318.97	0.06	-93.47
CNS(=O)(=O)C1=CC(NC(=O)C2=CC(C(=O)[O-])=CN=C2C)=CC=C1[O-]	REAL300004699998	0	38	-2.0	-88.03	334.79	0.74	-87.29
CNS(=O)(=O)C1=CC(NC(=O)CN2C=CC(C(=O)[O-])=N2)=CC=C1[O-]	REAL300004699999	0	36	-2.0	-120.07	329.88	0.03	-120.04
CNS(=O)(=O)C1=CC(NC(=O)CCCN2C=CC(C(=O)[O-])=N2)=CC=C1[O-]	REAL300004700000	0	42	-2.0	-117.26	373.48	1.40	-115.86
CNS(=O)(=O)C1=CC(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])=CC=C1[O-]	REAL300004700001	0	36	-2.0	-106.18	312.39	0.74	-105.44
CNS(=O)(=O)C1=CC(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)=CC=C1[O-]	REAL300004700002	0	43	-2.0	-109.34	367.56	1.70	-107.64
CNS(=O)(=O)C1=CC(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)=CC=C1[O-]	REAL300004700003	0	43	-2.0	-96.36	366.33	0.68	-95.68
CNS(=O)(=O)C1=CC(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])=CC=C1[O-]	REAL300004700004	0	36	-2.0	-106.18	312.39	0.74	-105.44
CNS(=O)(=O)C1=CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])=CC=C1[O-]	REAL300004700005	0	33	-2.0	-122.55	295.82	1.25	-121.30
CNS(=O)(=O)C1=CC(NC(=O)C2=C(C)C=C(C(=O)[O-])O2)=CC=C1[O-]	REAL300004700006	0	36	-2.0	-89.33	327.75	0.96	-88.37
CNS(=O)(=O)C1=CC(NC(=O)[C@@H]2C3C=CC(CC3)[C@@H]2C(=O)[O-])=CC=C1[O-]	REAL300004700007	0	44	-2.0	-114.37	355.05	2.96	-111.41
CCC(C(=O)[O-])C(=O)NC1=CC=C([O-])C(S(=O)(=O)NC)=C1	REAL300004700008	0	35	-2.0	-95.80	308.70	0.31	-95.49
CNS(=O)(=O)C1=CC(NC(=O)C(C(=O)[O-])C(C)C)=CC=C1[O-]	REAL300004700009	0	38	-2.0	-93.87	314.81	0.93	-92.94
CNS(=O)(=O)C1=CC(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])=CC=C1[O-]	REAL300004700010	0	42	-2.0	-117.17	337.43	2.50	-114.67
CNS(=O)(=O)C1=CC(NC(=O)CN2CCCC(C(=O)[O-])C2)=CC=C1[O-]	REAL300004700011	0	44	-2.0	-93.17	362.71	-0.09	-93.26
CNS(=O)(=O)C1=CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])=CC=C1[O-]	REAL300004700012	0	33	-2.0	-93.58	300.68	0.42	-93.16
CNS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC2C2=CC=CC=C2)=CC=C1[O-]	REAL300004700013	0	43	-2.0	-93.36	363.35	3.67	-89.69
CNS(=O)(=O)C1=CC(NC(=O)C2CC3(CC3C(=O)[O-])C2)=CC=C1[O-]	REAL300004700014	0	40	-2.0	-92.50	346.22	2.22	-90.28
CNS(=O)(=O)C1=CC(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)=CC=C1[O-]	REAL300004700015	0	36	-2.0	-99.93	315.92	0.87	-99.06
CNS(=O)(=O)C1=CC(NC(=O)[C@H]2C[C@]2(C(=O)[O-])C(C)C)=CC=C1[O-]	REAL300004700016	0	42	-2.0	-118.66	351.65	2.90	-115.76
CNS(=O)(=O)C1=CC(NC(=O)C2=CC(C(=O)[O-])=CC=C2C)=CC=C1[O-]	REAL300004700017	0	39	-2.0	-94.92	339.90	2.54	-92.38
CNS(=O)(=O)C1=CC(NC(=O)C2CC(C)(C(=O)[O-])C2)=CC=C1[O-]	REAL300004700018	0	39	-2.0	-90.47	332.97	1.28	-89.19
CNS(=O)(=O)C1=CC(NC(=O)C2=C(C(=O)[O-])SC=C2)=CC=C1[O-]	REAL300004700019	0	33	-2.0	-123.00	310.91	1.73	-121.27
CNS(=O)(=O)C1=CC(NC(=O)C2=CC(C(=O)[O-])=NN2)=CC=C1[O-]	REAL300004700020	0	33	-2.0	-93.74	307.67	-1.71	-95.45
CNS(=O)(=O)C1=CC(NC(=O)C2=CN=CC(C(=O)[O-])=C2C)=CC=C1[O-]	REAL300004700021	0	38	-2.0	-91.78	329.33	0.64	-91.14
CCCC(C(=O)[O-])C(=O)NC1=CC=C([O-])C(S(=O)(=O)NC)=C1	REAL300004700022	0	38	-2.0	-94.63	324.34	1.25	-93.38
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2C)=CC=C1[O-]	REAL300004700023	0	39	-2.0	-93.57	339.99	2.56	-91.01
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])C=C2Cl)=CC=C1[O-]	REAL300004700024	0	36	-2.0	-89.47	336.28	2.36	-87.11
CNS(=O)(=O)C1=CC(NC(=O)C2CC3(CC(C(=O)[O-])C3)C2)=CC=C1[O-]	REAL300004700025	0	43	-2.0	-100.08	364.76	2.75	-97.33
CNS(=O)(=O)C1=CC(NC(=O)C2=CC(OC)=CC(C(=O)[O-])=N2)=CC=C1[O-]	REAL300004700026	0	39	-2.0	-93.63	351.65	-0.54	-94.17
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C(=O)[O-])N2C)=CC=C1[O-]	REAL300004700027	0	37	-2.0	-92.26	326.15	1.08	-91.18
CNS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC=CC2)=CC=C1[O-]	REAL300004700028	0	37	-2.0	-96.73	320.18	1.35	-95.38
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(CCC(=O)[O-])C=C2)=CC=C1[O-]	REAL300004700029	0	42	-2.0	-91.55	367.13	3.46	-88.09
CNS(=O)(=O)C1=CC(NC(=O)C2=NNC(C)=C2C(=O)[O-])=CC=C1[O-]	REAL300004700030	0	36	-2.0	-112.19	321.41	-0.29	-112.48
CNS(=O)(=O)C1=CC(NC(=O)CC2(CC(=O)[O-])CC2)=CC=C1[O-]	REAL300004700031	0	39	-2.0	-103.32	334.86	1.63	-101.69
CNS(=O)(=O)C1=CC(NC(=O)C2CC3(C2)C(C(=O)[O-])C3(F)F)=CC=C1[O-]	REAL300004700032	0	40	-2.0	-93.23	357.88	2.38	-90.85
CNS(=O)(=O)C1=CC(NC(=O)C2=CSC(C(=O)[O-])=N2)=CC=C1[O-]	REAL300004700033	0	32	-2.0	-92.08	313.18	-0.98	-93.06
CNS(=O)(=O)C1=CC(NC(=O)C(OC)C(=O)[O-])=CC=C1[O-]	REAL300004700034	0	33	-2.0	-96.76	300.13	-0.51	-97.27
CNS(=O)(=O)C1=CC(NC(=O)[C@@]2(C)C[C@H]2C(=O)[O-])=CC=C1[O-]	REAL300004700035	0	36	-2.0	-103.39	316.29	1.08	-102.31
CNS(=O)(=O)C1=CC(NC(=O)C2=C(C)SC(C(=O)[O-])=C2)=CC=C1[O-]	REAL300004700036	0	36	-2.0	-92.21	332.79	1.72	-90.49
CNS(=O)(=O)C1=CC(NC(=O)C2=C(F)C=CC(C(=O)[O-])=C2C)=CC=C1[O-]	REAL300004700037	0	39	-2.0	-91.54	351.79	2.27	-89.27
CNS(=O)(=O)C1=CC(NC(=O)CCC2=CC=CN=C2C(=O)[O-])=CC=C1[O-]	REAL300004700038	0	41	-2.0	-108.61	357.38	1.33	-107.28
CNS(=O)(=O)C1=CC(NC(=O)C23CC(C(=O)[O-])(C2)CO3)=CC=C1[O-]	REAL300004700039	0	38	-2.0	-89.57	333.78	-0.55	-90.12
CNS(=O)(=O)C1=CC(NC(=O)C(C)C(=O)[O-])=CC=C1[O-]	REAL300004700040	0	32	-2.0	-103.33	284.35	0.40	-102.93
CNS(=O)(=O)C1=CC(NC(=O)/C=C/C2=CC=C(C(=O)[O-])C=C2)=CC=C1[O-]	REAL300004700041	0	40	-2.0	-94.50	358.30	3.06	-91.44
CNS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC2C)=CC=C1[O-]	REAL300004700042	0	36	-2.0	-94.54	314.79	1.01	-93.53
CNS(=O)(=O)C1=CC(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)=CC=C1[O-]	REAL300004700043	0	43	-2.0	-96.52	355.18	2.54	-93.98
CNS(=O)(=O)C1=CC(NC(=O)C2=C(C(=O)[O-])C=NN2C)=CC=C1[O-]	REAL300004700044	0	36	-2.0	-108.84	317.85	0.46	-108.38
CNS(=O)(=O)C1=CC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CS3)=CC=C1[O-]	REAL300004700045	0	37	-2.0	-93.28	348.98	0.88	-92.40
CNS(=O)(=O)C1=CC(NC(=O)C2=CC3=C(C=C(C(=O)[O-])S3)N2)=CC=C1[O-]	REAL300004700046	0	37	-2.0	-90.19	348.87	1.03	-89.16
CNS(=O)(=O)C1=CC(NC(=O)C2=CC3=C(N2)C(C(=O)[O-])=CO3)=CC=C1[O-]	REAL300004700047	0	37	-2.0	-92.06	340.04	0.04	-92.02
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(C(=O)[O-])=C2C)=CC=C1[O-]	REAL300004700048	0	39	-2.0	-99.64	333.65	2.43	-97.21
CNS(=O)(=O)C1=CC(NC(=O)C=CC2=CC=C(C(=O)[O-])N=C2)=CC=C1[O-]	REAL300004700049	0	39	-2.0	-96.49	354.07	1.28	-95.21
C=C1CCC1(C(=O)[O-])C(=O)NC1=CC=C([O-])C(S(=O)(=O)NC)=C1	REAL300004700050	0	37	-2.0	-96.80	325.84	1.15	-95.65
CNS(=O)(=O)C1=CC(NC(=O)C2=CC(C(=O)[O-])=CS2)=CC=C1[O-]	REAL300004700051	0	33	-2.0	-96.31	317.01	0.89	-95.42
CNS(=O)(=O)C1=CC(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])=CC=C1[O-]	REAL300004700052	0	41	-2.0	-113.84	343.13	0.17	-113.67
CNS(=O)(=O)C1=CC(NC(=O)[C@@]2(C(C)C)C[C@H]2C(=O)[O-])=CC=C1[O-]	REAL300004700053	0	42	-2.0	-107.57	354.04	1.91	-105.66
CNS(=O)(=O)C1=CC(NC(=O)CC2=CC=C(C(=O)[O-])C=C2C)=CC=C1[O-]	REAL300004700054	0	42	-2.0	-112.32	365.18	3.01	-109.31
CNS(=O)(=O)C1=CC(NC(=O)CC2=CC(C(=O)[O-])=CS2)=CC=C1[O-]	REAL300004700055	0	36	-2.0	-110.50	340.02	1.68	-108.82
CNS(=O)(=O)C1=CC(NC(=O)CC2=CC=C(C(=O)[O-])C(F)=C2)=CC=C1[O-]	REAL300004700056	0	39	-2.0	-106.11	353.02	2.57	-103.54
CNS(=O)(=O)C1=CC(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)=CC=C1[O-]	REAL300004700057	0	39	-2.0	-112.66	330.17	1.42	-111.24
CNS(=O)(=O)C1=CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)=CC=C1[O-]	REAL300004700058	0	46	-2.0	-91.83	367.11	2.75	-89.08
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CCC(=O)[O-])CC2=CC=CN=C2)O1	REAL300004708770	1	40	-2.0	-116.54	363.48	2.44	-114.10
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CCC(=O)[O-])CC2=CC=CN=C2)=CS1	REAL300004709218	1	47	-2.0	-95.11	409.86	6.73	-88.38
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300004710303	1	36	-2.0	-105.98	318.44	6.14	-99.84
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004710314	1	39	-2.0	-96.91	347.53	8.33	-88.58
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)CCC1=N[N-]N=N1	REAL300004710348	0	36	-2.0	-95.16	318.74	4.61	-90.55
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)CCC1=NN=N[N-]1	REAL300004710348	1	36	-2.0	-95.18	318.80	4.62	-90.56
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CCC(=O)[O-])CC2=CC=CN=C2)C=N1	REAL300004710419	0	42	-2.0	-101.34	373.48	4.23	-97.11
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004710444	1	41	-2.0	-111.50	362.33	5.62	-105.88
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=CN=CC([O-])=C1	REAL300004710481	1	35	-2.0	-111.47	307.07	4.26	-107.21
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])CC2=CC=CN=C2)=N1	REAL300004710562	0	46	-2.0	-113.03	398.98	8.79	-104.24
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004710567	0	43	-2.0	-110.60	376.42	8.12	-102.48
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004710598	1	41	-2.0	-112.43	351.68	9.61	-102.82
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])CC3=CC=CN=C3)=N2)=C1	REAL300004710735	0	46	-2.0	-120.38	394.76	8.70	-111.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CCC(=O)[O-])CC2=CC=CN=C2)=N1	REAL300004710736	0	49	-2.0	-117.29	411.91	9.71	-107.58
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004710847	0	36	-2.0	-101.10	325.85	6.36	-94.74
COC1=C(C(=O)N(CCC(=O)[O-])CC2=CC=CN=C2)NC(=O)[N-]C1=O	REAL300004710859	1	39	-2.0	-105.21	350.16	0.77	-104.44
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)CCCC1=N[N-]N=N1	REAL300004710939	0	39	-2.0	-90.92	340.42	5.39	-85.53
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)CCCC1=NN=N[N-]1	REAL300004710939	1	39	-2.0	-90.90	340.47	5.41	-85.49
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004710971	0	36	-2.0	-100.60	328.23	6.61	-93.99
CCOC1=CC(C(=O)N(CCC(=O)[O-])CC2=CC=CN=C2)=CC(Cl)=C1[O-]	REAL300004710975	1	43	-2.0	-99.27	374.07	7.49	-91.78
COC1=CC=C(N2C=C([O-])C(C(=O)N(CCC(=O)[O-])CC3=CC=CN=C3)=N2)C=C1	REAL300004710981	0	47	-2.0	-117.78	399.49	7.34	-110.44
C[N-]S(=O)(=O)C1=CC(C(=O)N(CCC(=O)[O-])CC2=CC=CN=C2)=CO1	REAL300004710997	1	40	-2.0	-109.06	362.20	1.94	-107.12
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004711138	0	39	-2.0	-97.10	347.01	6.11	-90.99
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004711138	1	39	-2.0	-97.08	347.08	6.11	-90.97
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=C[N-]N=CC1=O	REAL300004711376	0	34	-2.0	-99.61	310.16	4.70	-94.91
COCC1=NC=C(C(=O)N(CCC(=O)[O-])CC2=CC=CN=C2)C(=O)[N-]1	REAL300004711400	1	41	-2.0	-110.01	364.17	3.27	-106.74
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004711443	1	44	-2.0	-111.87	378.09	6.17	-105.70
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004711691	0	36	-2.0	-103.78	344.67	7.33	-96.45
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2O)O1	REAL300004723285	1	39	-2.0	-112.79	352.57	2.29	-110.50
CC(C)C(=O)[N-]C1=NC(CC(=O)N(CC(=O)[O-])CC2=CC=CC=C2O)=CS1	REAL300004723730	1	46	-2.0	-103.81	400.69	5.53	-98.28
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)C1=CC=C([O-])C(F)=C1	REAL300004724813	1	35	-2.0	-106.64	307.54	5.04	-101.60
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004724824	1	38	-2.0	-123.13	340.20	6.11	-117.02
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)CCC1=N[N-]N=N1	REAL300004724858	0	35	-2.0	-100.52	309.60	3.35	-97.17
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)CCC1=NN=N[N-]1	REAL300004724858	1	35	-2.0	-100.53	309.66	3.37	-97.16
CS(=O)(=O)[N-]C1=CC=C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2O)C=N1	REAL300004724928	0	41	-2.0	-105.56	363.95	3.06	-102.50
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004724953	1	40	-2.0	-114.93	343.56	4.19	-110.74
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)C1=CN=CC([O-])=C1	REAL300004724990	1	34	-2.0	-99.39	296.12	3.32	-96.07
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(CC(=O)[O-])CC2=CC=CC=C2O)=N1	REAL300004725071	0	45	-2.0	-128.10	387.91	7.59	-120.51
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004725076	0	42	-2.0	-126.61	366.90	8.02	-118.59
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004725107	1	40	-2.0	-133.66	341.76	8.24	-125.42
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC(=O)[O-])CC3=CC=CC=C3O)=N2)=C1	REAL300004725246	0	45	-2.0	-140.65	387.72	7.49	-133.16
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CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CC(C)=C3)=N2)=C1	REAL300004746744	0	41	-2.0	-140.19	363.25	7.61	-132.58
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)=N1	REAL300004746745	0	44	-2.0	-137.85	372.93	8.75	-129.10
CC1=CC(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)=CC(C(=O)[O-])=C1	REAL300004746813	1	44	-2.0	-123.73	382.73	6.05	-117.68
CC1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300004746862	0	31	-2.0	-104.88	300.23	6.29	-98.59
CC1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC(C(=O)[O-])=C1	REAL300004746989	0	31	-2.0	-103.65	294.02	6.23	-97.42
CCOC1=CC(C(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300004746993	1	38	-2.0	-107.68	345.06	7.26	-100.42
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C)=CC(C(=O)[O-])=C3)=N2)C=C1	REAL300004747005	0	42	-2.0	-135.31	368.28	6.24	-129.07
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)=CO1	REAL300004747026	1	35	-2.0	-114.92	330.00	1.49	-113.43
CC1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=CC(C(=O)[O-])=C1	REAL300004747107	0	39	-2.0	-118.55	342.45	10.17	-108.38
CC1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=CC(C(=O)[O-])=C1	REAL300004747107	1	39	-2.0	-118.59	342.40	10.20	-108.39
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(C(=O)[O-])=C1	REAL300004747170	0	34	-2.0	-96.26	313.83	4.38	-91.88
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC(C(=O)[O-])=C1	REAL300004747170	1	34	-2.0	-96.30	313.76	4.37	-91.93
COCC1=NC=C(C(=O)NC2=CC(C)=CC(C(=O)[O-])=C2)C(=O)[N-]1	REAL300004747473	1	36	-2.0	-104.51	319.33	2.92	-101.59
CC1=CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=CC(C(=O)[O-])=C1	REAL300004747516	1	39	-2.0	-105.39	332.98	5.79	-99.60
CC1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC(C(=O)[O-])=C1	REAL300004747804	0	31	-2.0	-121.80	308.34	8.21	-113.59
CC1=CC(NC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)=CC(C(=O)[O-])=C1	REAL300004748085	0	39	-2.0	-107.98	342.50	5.39	-102.59
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)O1	REAL300004749480	1	38	-2.0	-100.65	359.75	1.20	-99.45
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C2C=NN(CC(=O)[O-])C2=C1	REAL300004749672	0	41	-2.0	-100.82	367.61	4.49	-96.33
CC1=C(C(=O)NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004750224	1	47	-2.0	-108.49	391.43	5.99	-102.50
COC1=CC=C(C(=O)NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)C([O-])=C1	REAL300004750684	1	38	-2.0	-134.94	334.17	6.18	-128.76
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=CC=C([O-])C(F)=C3)C=C21	REAL300004751225	1	34	-2.0	-96.43	313.42	5.41	-91.02
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C=C21	REAL300004751238	1	37	-2.0	-125.35	343.45	7.85	-117.50
O=C([O-])CN1N=CC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C21	REAL300004751292	0	34	-2.0	-109.84	310.64	3.51	-106.33
O=C([O-])CN1N=CC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C21	REAL300004751292	1	34	-2.0	-109.84	310.58	3.50	-106.34
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)C=N1	REAL300004751373	0	40	-2.0	-111.77	368.37	3.53	-108.24
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)C=C21	REAL300004751404	1	39	-2.0	-103.31	346.33	5.02	-98.29
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=CN=CC([O-])=C3)C=C21	REAL300004751444	1	33	-2.0	-119.94	301.97	3.56	-116.38
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])C=C21	REAL300004751559	0	41	-2.0	-109.47	374.11	6.70	-102.77
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)C=C21	REAL300004751605	0	39	-2.0	-143.70	347.26	7.49	-136.21
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)C=C21	REAL300004751892	0	34	-2.0	-108.84	329.14	5.99	-102.85
O=C([O-])CN1N=CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL300004752008	0	37	-2.0	-125.02	332.14	4.29	-120.73
O=C([O-])CN1N=CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL300004752008	1	37	-2.0	-124.94	332.08	4.28	-120.66
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=CC=C([O-])C(Cl)=C3)C=C21	REAL300004752044	0	34	-2.0	-93.02	323.22	5.91	-87.11
CCOC1=CC(C(=O)NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)=CC(Cl)=C1[O-]	REAL300004752048	1	41	-2.0	-112.30	373.98	6.97	-105.33
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)=CO1	REAL300004752081	1	38	-2.0	-120.99	358.90	1.17	-119.82
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=C(C(=O)C4=CC=CC=C4)N=C[N-]3)C=C21	REAL300004752171	0	42	-2.0	-124.56	371.39	9.86	-114.70
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=C(C(=O)C4=CC=CC=C4)[N-]C=N3)C=C21	REAL300004752171	1	42	-2.0	-124.59	371.34	9.86	-114.73
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C21	REAL300004752244	0	37	-2.0	-90.35	342.96	4.06	-86.29
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C21	REAL300004752244	1	37	-2.0	-90.32	343.02	4.07	-86.25
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=C[N-]N=CC3=O)C=C21	REAL300004752526	0	32	-2.0	-102.45	294.18	3.98	-98.47
COCC1=NC=C(C(=O)NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)C(=O)[N-]1	REAL300004752560	1	39	-2.0	-101.98	348.42	2.62	-99.36
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)C=C21	REAL300004752608	1	42	-2.0	-101.54	362.00	5.48	-96.06
O=C([O-])CN1N=CC2=CC=C(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C=C21	REAL300004752913	0	34	-2.0	-120.18	337.53	7.89	-112.29
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=C1	REAL300004754134	1	38	-2.0	-102.38	342.43	4.86	-97.52
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300004754449	1	38	-2.0	-103.54	342.50	5.07	-98.47
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=C1	REAL300004754499	1	40	-2.0	-116.15	364.86	10.02	-106.13
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300004754942	1	41	-2.0	-89.49	368.92	3.27	-86.22
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)O1	REAL300004754943	1	32	-2.0	-89.21	313.46	0.86	-88.35
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300004755216	0	35	-2.0	-102.20	321.36	4.17	-98.03
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=CS1	REAL300004755585	1	39	-2.0	-111.45	355.55	5.28	-106.17
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300004755821	0	35	-2.0	-95.88	327.45	4.24	-91.64
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(C(=O)[O-])C(F)=C1	REAL300004755827	1	41	-2.0	-103.92	364.00	5.86	-98.06
COC1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C([O-])=C1	REAL300004756394	1	32	-2.0	-111.24	288.21	5.86	-105.38
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C1F	REAL300004756938	1	31	-2.0	-102.75	297.17	7.53	-95.22
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C=N1	REAL300004757046	0	34	-2.0	-95.29	322.06	3.20	-92.09
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(F)=C3)=N2)=C1	REAL300004757137	0	44	-2.0	-111.77	381.98	8.22	-103.55
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(F)=C3)=N2)C=C1	REAL300004757138	0	44	-2.0	-110.91	381.91	8.24	-102.67
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300004757228	0	38	-2.0	-108.24	349.14	7.35	-100.89
O=C([O-])C1=CC=C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C1F	REAL300004757233	0	35	-2.0	-109.80	328.13	6.36	-103.44
O=C([O-])C1=CC=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C1F	REAL300004757264	0	33	-2.0	-110.58	301.30	7.18	-103.40
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(F)=C3)=N2)=C1	REAL300004757417	0	38	-2.0	-115.31	346.17	6.98	-108.33
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=N1	REAL300004757418	0	41	-2.0	-113.42	362.78	8.07	-105.35
O=C([O-])C1=CC=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C1F	REAL300004757539	0	28	-2.0	-90.82	282.83	5.67	-85.15
O=C([O-])C1=CC=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=C1F	REAL300004757675	0	28	-2.0	-90.16	276.62	5.61	-84.55
CCOC1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=CC(Cl)=C1[O-]	REAL300004757678	1	35	-2.0	-94.18	327.67	6.64	-87.54
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(C(=O)[O-])C(F)=C3)=N2)C=C1	REAL300004757690	0	39	-2.0	-111.02	351.20	5.60	-105.42
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)=CO1	REAL300004757713	1	32	-2.0	-99.42	312.92	0.85	-98.57
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)C=C1F	REAL300004757803	0	36	-2.0	-96.74	325.41	9.54	-87.20
O=C([O-])C1=CC=C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)C=C1F	REAL300004757803	1	36	-2.0	-96.74	325.36	9.56	-87.18
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1F	REAL300004757870	0	31	-2.0	-86.48	296.77	3.75	-82.73
O=C([O-])C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1F	REAL300004757870	1	31	-2.0	-86.45	296.70	3.74	-82.71
COCC1=NC=C(C(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C(=O)[N-]1	REAL300004758189	1	33	-2.0	-90.02	302.95	2.33	-87.69
O=C([O-])C1=CC=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C1F	REAL300004758531	0	28	-2.0	-98.65	291.25	7.58	-91.07
CC1=C(C(=O)NC2=CC=C(C(=O)[O-])C(F)=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004758831	1	36	-2.0	-95.89	324.52	4.79	-91.10
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)C3=N[N-]C4=CC=CC=C4C3=O)[C@@H]2C1	REAL300004760209	0	39	-2.0	-107.99	324.18	7.56	-100.43
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=C1	REAL300004760450	0	45	-2.0	-104.66	368.14	5.44	-99.22
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300004760765	0	45	-2.0	-110.28	369.73	5.75	-104.53
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=C1	REAL300004760815	1	47	-2.0	-110.79	386.55	11.11	-99.68
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)O1	REAL300004761258	1	48	-2.0	-104.52	394.59	3.64	-100.88
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)O1	REAL300004761259	1	39	-2.0	-103.28	339.14	1.24	-102.04
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300004761532	0	42	-2.0	-108.73	348.26	4.85	-103.88
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CS1	REAL300004761901	1	46	-2.0	-102.43	381.15	5.87	-96.56
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300004762137	0	42	-2.0	-98.75	353.17	4.83	-93.92
CC1=C(CC(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004762140	1	48	-2.0	-109.49	392.81	6.14	-103.35
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL300004762143	0	48	-2.0	-111.07	391.61	6.55	-104.52
CC1=C(C(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004762223	1	48	-2.0	-112.51	370.05	6.00	-106.51
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])[C@@H]2C1	REAL300004763254	1	38	-2.0	-109.98	324.18	8.37	-101.61
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C=N1	REAL300004763362	0	41	-2.0	-100.90	348.52	3.78	-97.12
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)C3=CN=C(C4CC4)[N-]C3=O)[C@@H]2C1	REAL300004763395	1	40	-2.0	-110.45	325.67	4.98	-105.47
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=N2)=C1	REAL300004763453	0	51	-2.0	-121.03	406.39	8.59	-112.44
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=N2)C=C1	REAL300004763454	0	51	-2.0	-142.37	402.08	9.02	-133.35
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=N1	REAL300004763544	0	45	-2.0	-114.78	373.88	7.69	-107.09
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])[C@@H]2C1	REAL300004763549	0	42	-2.0	-114.57	352.53	6.74	-107.83
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)[C@@H]2C1	REAL300004763580	1	40	-2.0	-117.24	325.70	7.59	-109.65
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=N2)=C1	REAL300004763733	0	45	-2.0	-147.66	366.64	7.75	-139.91
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=N1	REAL300004763734	0	48	-2.0	-119.84	387.38	8.39	-111.45
CC1=C(CC(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004763805	1	48	-2.0	-107.48	392.96	6.13	-101.35
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)[C@@H]2C1	REAL300004763855	0	35	-2.0	-97.22	309.81	6.36	-90.86
COC1=C(C(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)NC(=O)[N-]C1=O	REAL300004763866	1	38	-2.0	-109.56	307.48	1.90	-107.66
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)C3=CC=C([O-])C(Cl)=C3)[C@@H]2C1	REAL300004763991	0	35	-2.0	-94.57	302.55	6.20	-88.37
CCOC1=CC(C(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CC(Cl)=C1[O-]	REAL300004763994	1	42	-2.0	-101.50	354.63	7.34	-94.16
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3C[C@H]4CC(C(=O)[O-])C[C@H]43)=N2)C=C1	REAL300004764006	0	46	-2.0	-141.02	371.37	6.40	-134.62
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)=CO1	REAL300004764029	1	39	-2.0	-95.70	337.32	1.19	-94.51
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@@H]2C1	REAL300004764186	0	38	-2.0	-92.69	321.08	4.07	-88.62
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@@H]2C1	REAL300004764186	1	38	-2.0	-92.67	321.15	4.08	-88.59
COCC1=NC=C(C(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(=O)[N-]1	REAL300004764505	1	40	-2.0	-108.94	327.52	2.63	-106.31
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)[C@@H]2C1	REAL300004764549	1	43	-2.0	-102.47	342.82	5.97	-96.50
O=C([O-])C1C[C@@H]2C[C@H](NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])[C@@H]2C1	REAL300004764847	0	35	-2.0	-105.70	318.47	8.37	-97.33
CC1=C(C(=O)N[C@H]2C[C@H]3CC(C(=O)[O-])C[C@H]32)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004765147	0	43	-2.0	-126.78	354.75	5.48	-121.30
CC1=C(CCC(=O)N2CCC(C(=O)[O-])C2)C(=O)NC(N2CCOCC2)=N1	REAL300004765698	0	48	-2.0	-99.09	385.80	6.47	-92.62
CC1=C(CCC(=O)N2CCC(C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300004765698	1	48	-2.0	-99.09	385.80	6.47	-92.62
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300004766012	0	38	-2.0	-101.30	327.49	3.78	-97.52
O=C([O-])C1CCN(C(=O)C2=CC=CC(S(=O)(=O)[N-]C3=CC=C(F)C=C3)=C2)C1	REAL300004766259	1	42	-2.0	-90.15	367.55	6.04	-84.11
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])C1	REAL300004766302	0	38	-2.0	-102.44	327.28	4.00	-98.44
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300004766340	1	40	-2.0	-108.13	350.38	9.41	-98.72
O=C([O-])C1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=C(F)C=C3)C=C2)C1	REAL300004766390	1	42	-2.0	-90.60	367.46	6.02	-84.58
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C2)C=C1	REAL300004766392	1	45	-2.0	-92.86	381.17	6.73	-86.13
O=C([O-])C1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300004766507	1	42	-2.0	-96.84	361.06	5.95	-90.89
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300004766508	1	42	-2.0	-95.88	361.10	5.97	-89.91
CC1=CC(C(=O)N2CCC(C(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300004766519	0	38	-2.0	-84.55	342.78	4.15	-80.40
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)N3CCC(C(=O)[O-])C3)C=C2)C=C1	REAL300004766639	1	45	-2.0	-93.54	382.66	6.64	-86.90
O=C([O-])C1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300004766721	0	39	-2.0	-95.23	352.99	4.96	-90.27
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C2)O1	REAL300004766738	1	41	-2.0	-87.27	349.66	2.83	-84.44
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])C2)O1	REAL300004766739	1	32	-2.0	-86.75	296.00	0.30	-86.45
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCC(C(=O)[O-])C3)=C2)C=C1	REAL300004766848	1	45	-2.0	-96.33	382.53	6.66	-89.67
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)N3CCC(C(=O)[O-])C3)=C2)=C1	REAL300004766885	1	45	-2.0	-96.67	382.54	6.66	-90.01
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C(=O)[O-])C2)=C1	REAL300004766956	0	42	-2.0	-109.29	362.26	1.99	-107.30
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])C1	REAL300004767004	0	35	-2.0	-101.03	305.81	3.10	-97.93
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300004767013	0	39	-2.0	-94.34	353.04	4.98	-89.36
O=C([O-])C1CCN(C(=O)CC2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300004767014	0	42	-2.0	-107.61	383.87	6.17	-101.44
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])C2)=CS1	REAL300004767316	1	39	-2.0	-103.08	341.06	4.72	-98.36
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C(=O)[O-])C1	REAL300004767489	0	35	-2.0	-94.89	312.76	3.16	-91.73
CC1=C(CC(=O)N2CCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004767498	1	41	-2.0	-108.00	351.05	4.89	-103.11
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])C1	REAL300004767503	0	41	-2.0	-102.93	348.78	4.79	-98.14
CC1=C(C(=O)N2CCC(C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004767553	1	41	-2.0	-103.15	338.05	4.65	-98.50
O=C([O-])C1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300004767659	1	42	-2.0	-92.86	361.08	5.97	-86.89
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C(=O)[O-])C1	REAL300004768075	0	41	-2.0	-105.87	352.49	5.35	-100.52
O=C([O-])C1CCN(C(=O)C2=CC(Br)=C([O-])C(Br)=C2)C1	REAL300004768156	0	28	-2.0	-84.37	280.89	5.29	-79.08
O=C([O-])C1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300004768209	1	31	-2.0	-101.76	281.92	6.11	-95.65
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])C2)C=N1	REAL300004768285	0	34	-2.0	-96.61	301.36	2.14	-94.47
O=C([O-])C1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300004768338	1	41	-2.0	-89.34	356.29	4.19	-85.15
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3)=N2)=C1	REAL300004768353	0	44	-2.0	-114.79	364.45	7.81	-106.98
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3)=N2)C=C1	REAL300004768354	0	44	-2.0	-113.67	364.43	7.82	-105.85
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300004768408	0	38	-2.0	-110.50	331.55	6.90	-103.60
O=C([O-])C1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300004768411	0	35	-2.0	-112.78	310.65	5.95	-106.83
O=C([O-])C1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300004768439	0	35	-2.0	-86.78	323.14	3.42	-83.36
O=C([O-])C1CCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300004768470	0	27	-2.0	-84.49	262.14	3.16	-81.33
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3)=N2)=C1	REAL300004768506	0	38	-2.0	-117.83	328.97	6.54	-111.29
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])C2)=N1	REAL300004768507	0	41	-2.0	-116.31	343.03	7.52	-108.79
CC1=C(CC(=O)N2CCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004768530	1	41	-2.0	-107.94	351.78	4.91	-103.03
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300004768599	1	35	-2.0	-92.34	307.52	5.56	-86.78
O=C([O-])C1CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300004768603	0	38	-2.0	-118.55	321.87	6.78	-111.77
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])C3)=N2)C=C1	REAL300004768609	0	39	-2.0	-113.38	333.72	5.19	-108.19
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])C2)=CO1	REAL300004768624	1	32	-2.0	-92.88	292.43	-0.06	-92.94
O=C([O-])C1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300004769064	0	28	-2.0	-98.59	276.17	6.00	-92.59
CC1=C(C(=O)N2CCC(C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004769234	0	36	-2.0	-105.59	318.33	3.73	-101.86
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)O1	REAL300004770401	1	38	-2.0	-89.19	339.20	1.65	-87.54
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1	REAL300004770588	0	41	-2.0	-92.49	351.86	4.47	-88.02
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300004772075	1	34	-2.0	-86.44	291.03	5.43	-81.01
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300004772088	1	37	-2.0	-91.09	328.96	6.86	-84.23
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300004772143	0	34	-2.0	-82.06	287.98	3.81	-78.25
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300004772143	1	34	-2.0	-82.10	288.04	3.82	-78.28
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)C=N1	REAL300004772215	0	40	-2.0	-88.34	346.13	3.52	-84.82
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300004772283	1	33	-2.0	-87.20	279.70	3.55	-83.65
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300004772435	1	39	-2.0	-106.62	329.24	7.93	-98.69
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300004772721	0	34	-2.0	-82.21	305.60	5.91	-76.30
COC1=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)NC(=O)[N-]C1=O	REAL300004772740	1	37	-2.0	-87.21	323.87	0.03	-87.18
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300004772833	0	37	-2.0	-87.89	309.47	4.59	-83.30
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300004772833	1	37	-2.0	-87.84	309.53	4.60	-83.24
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300004772867	0	34	-2.0	-83.32	300.82	5.91	-77.41
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)=CC(Cl)=C1[O-]	REAL300004772870	1	41	-2.0	-87.52	351.88	6.95	-80.57
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)=CO1	REAL300004772902	1	38	-2.0	-87.26	334.32	1.23	-86.03
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300004773058	0	37	-2.0	-81.25	322.43	4.92	-76.33
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300004773058	1	37	-2.0	-81.24	322.50	4.92	-76.32
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300004773329	0	32	-2.0	-87.59	277.10	3.98	-83.61
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)C(=O)[N-]1	REAL300004773361	1	39	-2.0	-97.94	331.32	2.49	-95.45
O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300004773701	0	34	-2.0	-88.66	323.05	6.92	-81.74
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)C(=O)NC(C2=CC=CO2)=N1	REAL300004773994	0	42	-2.0	-97.98	362.34	5.01	-92.97
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004773994	1	42	-2.0	-97.98	362.34	5.01	-92.97
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300004775526	0	48	-2.0	-109.53	381.77	3.28	-106.25
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C1(C(=O)[O-])CCOCC1	REAL300004775808	0	48	-2.0	-110.23	381.85	3.53	-106.70
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(C)C2(C(=O)[O-])CCOCC2)O1	REAL300004776240	1	42	-2.0	-100.44	352.83	-0.69	-101.13
CC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C1(C(=O)[O-])CCOCC1	REAL300004776490	0	45	-2.0	-96.84	360.69	2.79	-94.05
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(C)C2(C(=O)[O-])CCOCC2)=CS1	REAL300004776824	1	49	-2.0	-92.89	394.84	3.89	-89.00
CC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C1(C(=O)[O-])CCOCC1	REAL300004777048	0	45	-2.0	-102.91	366.80	2.69	-100.22
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(C)C1(C(=O)[O-])CCOCC1	REAL300004777052	0	51	-2.0	-110.71	403.35	4.32	-106.39
CC1=C(C(=O)NC(C)C2(C(=O)[O-])CCOCC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004777134	1	51	-2.0	-111.06	384.80	4.31	-106.75
CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1(C(=O)[O-])CCOCC1	REAL300004778167	1	38	-2.0	-92.40	306.50	3.72	-88.68
CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1(C(=O)[O-])CCOCC1	REAL300004778179	1	41	-2.0	-96.48	336.84	6.25	-90.23
CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1(C(=O)[O-])CCOCC1	REAL300004778292	0	44	-2.0	-98.51	361.73	1.83	-96.68
CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1(C(=O)[O-])CCOCC1	REAL300004778326	1	43	-2.0	-108.85	339.62	3.23	-105.62
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(C)C2(C(=O)[O-])CCOCC2)=N1	REAL300004778479	0	48	-2.0	-121.58	383.11	5.76	-115.82
CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1(C(=O)[O-])CCOCC1	REAL300004778484	0	45	-2.0	-126.06	367.19	4.84	-121.22
CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1(C(=O)[O-])CCOCC1	REAL300004778525	1	43	-2.0	-126.91	340.34	5.73	-121.18
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(C)C3(C(=O)[O-])CCOCC3)=N2)=C1	REAL300004778690	0	48	-2.0	-130.78	385.53	5.43	-125.35
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(C)C2(C(=O)[O-])CCOCC2)=N1	REAL300004778691	0	51	-2.0	-127.76	395.06	6.57	-121.19
CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1(C(=O)[O-])CCOCC1	REAL300004778828	0	38	-2.0	-87.27	322.50	4.28	-82.99
COC1=C(C(=O)NC(C)C2(C(=O)[O-])CCOCC2)NC(=O)[N-]C1=O	REAL300004778845	1	41	-2.0	-90.95	328.45	-0.67	-91.62
CC(NC(=O)CCCC1=N[N-]N=N1)C1(C(=O)[O-])CCOCC1	REAL300004778944	0	41	-2.0	-87.78	325.44	2.56	-85.22
CC(NC(=O)CCCC1=NN=N[N-]1)C1(C(=O)[O-])CCOCC1	REAL300004778944	1	41	-2.0	-87.77	325.50	2.58	-85.19
CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1(C(=O)[O-])CCOCC1	REAL300004778982	0	38	-2.0	-89.09	316.29	4.22	-84.87
CCOC1=CC(C(=O)NC(C)C2(C(=O)[O-])CCOCC2)=CC(Cl)=C1[O-]	REAL300004778986	1	45	-2.0	-93.35	367.35	5.25	-88.10
COC1=CC=C(N2C=C([O-])C(C(=O)NC(C)C3(C(=O)[O-])CCOCC3)=N2)C=C1	REAL300004778996	0	49	-2.0	-126.14	390.25	4.08	-122.06
C[N-]S(=O)(=O)C1=CC(C(=O)NC(C)C2(C(=O)[O-])CCOCC2)=CO1	REAL300004779019	1	42	-2.0	-86.63	352.27	-0.55	-87.18
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(C(=O)[O-])CCOCC1	REAL300004779182	0	41	-2.0	-91.20	335.74	2.19	-89.01
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(C(=O)[O-])CCOCC1	REAL300004779182	1	41	-2.0	-91.14	335.81	2.22	-88.92
COCC1=NC=C(C(=O)NC(C)C2(C(=O)[O-])CCOCC2)C(=O)[N-]1	REAL300004779512	1	43	-2.0	-107.01	341.41	0.88	-106.13
CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1(C(=O)[O-])CCOCC1	REAL300004779561	1	46	-2.0	-109.04	355.37	3.78	-105.26
CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1(C(=O)[O-])CCOCC1	REAL300004779880	0	38	-2.0	-106.75	330.60	6.12	-100.63
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC3=C(C=CC=C3C(=O)[O-])C2)O1	REAL300004781604	1	40	-2.0	-92.99	351.62	2.92	-90.07
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC2=C(C=CC=C2C(=O)[O-])C1	REAL300004781797	0	43	-2.0	-102.92	358.28	5.37	-97.55
CC1=C(C(=O)N2CCOC3=C(C=CC=C3C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004782345	1	49	-2.0	-113.58	399.92	7.15	-106.43
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300004783358	1	36	-2.0	-98.20	310.57	6.81	-91.39
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C2	REAL300004783371	1	39	-2.0	-99.09	342.13	8.04	-91.05
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300004783427	0	36	-2.0	-95.92	308.91	5.24	-90.68
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300004783427	1	36	-2.0	-95.93	308.96	5.26	-90.67
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOC3=C(C=CC=C3C(=O)[O-])C2)C=N1	REAL300004783508	0	42	-2.0	-100.05	365.59	4.92	-95.13
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300004783539	1	41	-2.0	-102.30	350.57	6.32	-95.98
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300004783578	1	35	-2.0	-101.39	299.35	4.96	-96.43
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])C2	REAL300004783690	0	43	-2.0	-113.69	359.96	8.73	-104.96
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300004783737	1	41	-2.0	-116.53	334.19	10.00	-106.53
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300004784027	0	36	-2.0	-96.76	324.82	7.29	-89.47
COC1=C(C(=O)N2CCOC3=C(C=CC=C3C(=O)[O-])C2)NC(=O)[N-]C1=O	REAL300004784046	1	39	-2.0	-98.75	339.69	1.35	-97.40
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)CCCC1=N[N-]N=N1)C2	REAL300004784143	0	39	-2.0	-100.70	330.39	6.03	-94.67
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300004784143	1	39	-2.0	-100.68	330.44	6.05	-94.63
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300004784179	0	36	-2.0	-95.26	320.37	7.29	-87.97
CCOC1=CC(C(=O)N2CCOC3=C(C=CC=C3C(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300004784183	1	43	-2.0	-97.45	369.68	8.28	-89.17
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCOC3=C(C=CC=C3C(=O)[O-])C2)=CO1	REAL300004784216	1	40	-2.0	-103.58	352.48	2.62	-100.96
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300004784378	0	39	-2.0	-90.93	331.51	6.52	-84.41
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300004784378	1	39	-2.0	-90.90	331.57	6.52	-84.38
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300004784658	0	34	-2.0	-99.34	298.51	5.29	-94.05
COCC1=NC=C(C(=O)N2CCOC3=C(C=CC=C3C(=O)[O-])C2)C(=O)[N-]1	REAL300004784691	1	41	-2.0	-101.76	352.67	3.91	-97.85
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300004784739	1	44	-2.0	-105.96	366.08	6.86	-99.10
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C2	REAL300004785044	0	36	-2.0	-92.84	337.92	8.12	-84.72
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)C2)O1	REAL300004786651	1	38	-2.0	-86.96	363.08	1.27	-85.69
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=NC=C(C(=O)[O-])S2)C1	REAL300004786837	0	41	-2.0	-98.03	372.92	4.10	-93.93
CC1=C(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004787344	1	47	-2.0	-101.81	406.89	5.72	-96.09
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)S1	REAL300004788303	1	34	-2.0	-94.28	313.40	5.02	-89.26
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])C2)S1	REAL300004788316	1	37	-2.0	-98.31	349.02	7.12	-91.19
O=C([O-])C1=CN=C(C2CCN(C(=O)CCC3=N[N-]N=N3)C2)S1	REAL300004788371	0	34	-2.0	-88.54	316.90	3.61	-84.93
O=C([O-])C1=CN=C(C2CCN(C(=O)CCC3=NN=N[N-]3)C2)S1	REAL300004788371	1	34	-2.0	-88.55	316.95	3.62	-84.93
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)C2)C=N1	REAL300004788442	0	40	-2.0	-97.83	368.56	3.14	-94.69
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)S1	REAL300004788472	1	39	-2.0	-97.18	358.39	4.70	-92.48
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CN=CC([O-])=C3)C2)S1	REAL300004788506	1	33	-2.0	-87.96	302.18	3.16	-84.80
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)S1	REAL300004788653	1	39	-2.0	-109.35	349.87	8.10	-101.25
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)S1	REAL300004788936	0	34	-2.0	-89.73	329.39	5.58	-84.15
COC1=C(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)C2)NC(=O)[N-]C1=O	REAL300004788955	1	37	-2.0	-91.58	336.17	1.28	-90.30
O=C([O-])C1=CN=C(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)S1	REAL300004789048	0	37	-2.0	-97.52	338.39	4.40	-93.12
O=C([O-])C1=CN=C(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)S1	REAL300004789048	1	37	-2.0	-97.57	338.45	4.42	-93.15
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)S1	REAL300004789082	0	34	-2.0	-90.61	323.20	5.51	-85.10
CCOC1=CC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)C2)=CC(Cl)=C1[O-]	REAL300004789085	1	41	-2.0	-93.13	374.23	6.55	-86.58
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)C2)=CO1	REAL300004789117	1	38	-2.0	-95.76	359.22	0.94	-94.82
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)S1	REAL300004789270	0	37	-2.0	-83.92	345.32	4.57	-79.35
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)S1	REAL300004789270	1	37	-2.0	-83.91	345.39	4.57	-79.34
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=C[N-]N=CC3=O)C2)S1	REAL300004789531	0	32	-2.0	-89.86	306.44	3.71	-86.15
COCC1=NC=C(C(=O)N2CCC(C3=NC=C(C(=O)[O-])S3)C2)C(=O)[N-]1	REAL300004789562	1	39	-2.0	-99.33	360.56	2.30	-97.03
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)S1	REAL300004789606	1	42	-2.0	-96.79	374.24	5.24	-91.55
O=C([O-])C1=CN=C(C2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])C2)S1	REAL300004789896	0	34	-2.0	-94.66	343.07	7.18	-87.48
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC2=NC=C(C(=O)[O-])S2)=C1	REAL300004793104	0	40	-2.0	-102.25	372.31	3.01	-99.24
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=NC=C(C(=O)[O-])S1	REAL300004793389	0	40	-2.0	-103.25	372.39	3.24	-100.01
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC=C(C(=O)[O-])S2)O1	REAL300004793828	1	34	-2.0	-88.08	343.37	-0.96	-89.04
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=NC=C(C(=O)[O-])S1	REAL300004794081	0	37	-2.0	-101.90	350.92	2.34	-99.56
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCC2=NC=C(C(=O)[O-])S2)=CS1	REAL300004794418	1	41	-2.0	-103.97	385.12	3.44	-100.53
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCC1=NC=C(C(=O)[O-])S1	REAL300004794642	0	37	-2.0	-95.46	357.33	2.41	-93.05
CC1=C(CC(=O)NCCC2=NC=C(C(=O)[O-])S2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004794644	1	43	-2.0	-107.54	395.96	3.64	-103.90
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=NC=C(C(=O)[O-])S1	REAL300004794647	0	43	-2.0	-103.68	393.88	4.02	-99.66
CC1=C(C(=O)NCCC2=NC=C(C(=O)[O-])S2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004794730	1	43	-2.0	-89.15	375.27	3.82	-85.33
O=C([O-])C1=CN=C(CCNC(=O)C2=CC=C([O-])C(F)=C2)S1	REAL300004795771	1	30	-2.0	-92.84	296.73	3.26	-89.58
O=C([O-])C1=CN=C(CCNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])S1	REAL300004795783	1	33	-2.0	-102.94	327.07	5.81	-97.13
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300004795896	0	36	-2.0	-93.97	351.97	1.37	-92.60
O=C([O-])C1=CN=C(CCNC(=O)C2=CN=C(C3CC3)[N-]C2=O)S1	REAL300004795930	1	35	-2.0	-88.42	329.78	2.77	-85.65
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC2=NC=C(C(=O)[O-])S2)=N1	REAL300004796081	0	40	-2.0	-108.47	379.05	5.51	-102.96
O=C([O-])C1=CN=C(CCNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])S1	REAL300004796086	0	37	-2.0	-109.96	357.71	4.55	-105.41
O=C([O-])C1=CN=C(CCNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)S1	REAL300004796127	1	35	-2.0	-109.84	330.87	5.44	-104.40
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCC3=NC=C(C(=O)[O-])S3)=N2)=C1	REAL300004796291	0	40	-2.0	-115.65	376.06	5.14	-110.51
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC2=NC=C(C(=O)[O-])S2)=N1	REAL300004796292	0	43	-2.0	-113.53	392.56	6.23	-107.30
CC1=C(CC(=O)NCCC2=NC=C(C(=O)[O-])S2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004796369	1	43	-2.0	-106.28	395.23	3.59	-102.69
O=C([O-])C1=CN=C(CCNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)S1	REAL300004796431	0	30	-2.0	-90.95	312.73	3.83	-87.12
COC1=C(C(=O)NCCC2=NC=C(C(=O)[O-])S2)NC(=O)[N-]C1=O	REAL300004796448	1	33	-2.0	-93.02	318.88	-1.10	-94.12
O=C([O-])C1=CN=C(CCNC(=O)CCCC2=N[N-]N=N2)S1	REAL300004796547	0	33	-2.0	-99.74	315.68	2.12	-97.62
O=C([O-])C1=CN=C(CCNC(=O)CCCC2=NN=N[N-]2)S1	REAL300004796547	1	33	-2.0	-99.72	315.73	2.13	-97.59
O=C([O-])C1=CN=C(CCNC(=O)C2=CC=C([O-])C(Cl)=C2)S1	REAL300004796585	0	30	-2.0	-89.65	306.53	3.76	-85.89
CCOC1=CC(C(=O)NCCC2=NC=C(C(=O)[O-])S2)=CC(Cl)=C1[O-]	REAL300004796589	1	37	-2.0	-93.89	357.58	4.80	-89.09
COC1=CC=C(N2C=C([O-])C(C(=O)NCCC3=NC=C(C(=O)[O-])S3)=N2)C=C1	REAL300004796599	0	41	-2.0	-110.90	380.78	3.78	-107.12
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2=NC=C(C(=O)[O-])S2)=CO1	REAL300004796623	1	34	-2.0	-98.70	342.50	-0.99	-99.69
O=C([O-])C1=CN=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300004796786	0	33	-2.0	-84.95	326.27	1.91	-83.04
O=C([O-])C1=CN=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300004796786	1	33	-2.0	-84.94	326.34	1.92	-83.02
COCC1=NC=C(C(=O)NCCC2=NC=C(C(=O)[O-])S2)C(=O)[N-]1	REAL300004797116	1	35	-2.0	-88.11	331.63	0.42	-87.69
O=C([O-])C1=CN=C(CCNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)S1	REAL300004797164	1	38	-2.0	-88.29	345.53	3.32	-84.97
O=C([O-])C1=CN=C(CCNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])S1	REAL300004797483	0	30	-2.0	-98.41	321.13	5.85	-92.56
CC1=C(CCC(=O)NCC2(C(=O)[O-])CCCC2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300004798356	1	54	-2.0	-109.23	422.71	7.06	-102.17
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300004798709	0	44	-2.0	-105.97	364.90	4.86	-101.11
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300004799021	0	44	-2.0	-106.47	364.98	5.08	-101.39
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2(C(=O)[O-])CCCC2)C=C1	REAL300004799071	1	46	-2.0	-115.74	387.33	10.01	-105.73
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)O1	REAL300004799523	1	47	-2.0	-102.11	390.72	3.34	-98.77
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)O1	REAL300004799524	1	38	-2.0	-100.71	335.95	0.89	-99.82
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(C(=O)[O-])CCCC2)=C1	REAL300004799755	0	48	-2.0	-111.48	399.58	3.08	-108.40
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300004799801	0	41	-2.0	-105.13	343.51	4.19	-100.94
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(C(=O)[O-])CCCC2)=CS1	REAL300004800175	1	45	-2.0	-99.47	377.70	5.29	-94.18
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300004800410	0	41	-2.0	-100.03	349.92	4.26	-95.77
CC1=C(CC(=O)NCC2(C(=O)[O-])CCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004800415	1	47	-2.0	-106.12	388.55	5.50	-100.62
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300004800419	0	47	-2.0	-107.00	386.48	5.87	-101.13
CC1=C(C(=O)NCC2(C(=O)[O-])CCCC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004800490	1	47	-2.0	-116.50	367.60	5.69	-110.81
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1(C(=O)[O-])CCCC1	REAL300004801240	0	47	-2.0	-109.12	389.39	6.46	-102.66
O=C([O-])C1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCCC1	REAL300004801435	1	37	-2.0	-105.25	319.64	7.67	-97.58
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(C(=O)[O-])CCCC2)C=N1	REAL300004801534	0	40	-2.0	-103.52	344.56	3.22	-100.30
O=C([O-])C1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCC1	REAL300004801565	1	39	-2.0	-114.36	322.37	4.63	-109.73
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCC3)=N2)=C1	REAL300004801619	0	50	-2.0	-125.45	404.16	8.27	-117.18
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCC3)=N2)C=C1	REAL300004801620	0	50	-2.0	-122.84	404.09	8.27	-114.57
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300004801696	0	44	-2.0	-118.41	371.64	7.38	-111.03
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCCC1	REAL300004801701	0	41	-2.0	-118.73	350.31	6.42	-112.31
O=C([O-])C1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCCC1	REAL300004801725	1	39	-2.0	-123.34	323.46	7.30	-116.04
O=C([O-])C1(CNC(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)CCCC1	REAL300004801745	0	41	-2.0	-87.96	365.78	4.51	-83.45
O=C([O-])C1(CNC(=O)C2=CN=C(I)C([O-])=C2)CCCC1	REAL300004801794	0	33	-2.0	-92.18	302.96	4.30	-87.88
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCC3)=N2)=C1	REAL300004801857	0	44	-2.0	-126.81	368.65	7.00	-119.81
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(C(=O)[O-])CCCC2)=N1	REAL300004801858	0	47	-2.0	-124.25	378.18	8.14	-116.11
CC1=C(CC(=O)NCC2(C(=O)[O-])CCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004801918	1	47	-2.0	-103.79	386.05	5.18	-98.61
O=C([O-])C1(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCCC1	REAL300004801961	0	34	-2.0	-93.76	305.32	5.66	-88.10
COC1=C(C(=O)NCC2(C(=O)[O-])CCCC2)NC(=O)[N-]C1=O	REAL300004801969	1	37	-2.0	-95.58	311.47	0.77	-94.81
CCOC1=CC(C(=O)NCC2(C(=O)[O-])CCCC2)=CC(Cl)=C1[O-]	REAL300004802076	1	41	-2.0	-99.02	350.16	6.64	-92.38
O=C([O-])C1(CNC(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])CCCC1	REAL300004802080	0	44	-2.0	-130.58	373.79	7.79	-122.79
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3(C(=O)[O-])CCCC3)=N2)C=C1	REAL300004802088	0	45	-2.0	-122.59	373.37	5.65	-116.94
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(C(=O)[O-])CCCC2)=CO1	REAL300004802108	1	38	-2.0	-93.68	335.09	0.87	-92.81
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300004802239	0	37	-2.0	-90.44	318.86	3.77	-86.67
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300004802239	1	37	-2.0	-90.41	318.93	3.77	-86.64
COCC1=NC=C(C(=O)NCC2(C(=O)[O-])CCCC2)C(=O)[N-]1	REAL300004802511	1	39	-2.0	-112.60	324.21	2.28	-110.32
O=C([O-])C1(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCCC1	REAL300004802550	1	42	-2.0	-114.52	338.12	5.17	-109.35
O=C([O-])C1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCC1	REAL300004802811	0	34	-2.0	-102.90	313.72	7.70	-95.20
CC1=C(C(=O)NCC2(C(=O)[O-])CCCC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004803072	0	42	-2.0	-118.90	347.83	4.78	-114.12
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)=C1	REAL300004804499	1	38	-2.0	-108.14	345.32	4.58	-103.56
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C)=C(C(=O)[O-])S1	REAL300004804809	1	38	-2.0	-109.42	345.38	4.79	-104.63
CC1=C(C(=O)[O-])SC(NC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)=C1	REAL300004804857	1	40	-2.0	-116.96	367.78	9.72	-107.24
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)=C1	REAL300004805298	1	41	-2.0	-91.21	371.11	3.04	-88.17
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)O1	REAL300004805299	1	32	-2.0	-90.71	316.34	0.59	-90.12
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)=C1	REAL300004805571	0	35	-2.0	-107.97	323.92	3.89	-104.08
CC1=C(C(=O)[O-])SC(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)=C1	REAL300004805929	1	39	-2.0	-112.82	358.16	5.01	-107.81
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)=C1	REAL300004806169	0	35	-2.0	-100.94	330.34	3.97	-96.97
CC1=C(C(=O)[O-])SC(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)=C1	REAL300004806172	1	41	-2.0	-115.18	368.07	5.15	-110.03
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C)=C(C(=O)[O-])S1	REAL300004806175	1	41	-2.0	-109.87	366.88	5.58	-104.29
CC1=C(C(=O)[O-])SC(NC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)=C1	REAL300004806256	1	41	-2.0	-94.75	348.63	5.46	-89.29
COC1=CC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)C([O-])=C1	REAL300004806745	1	32	-2.0	-118.65	290.76	5.58	-113.07
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300004807297	1	31	-2.0	-109.76	300.05	7.26	-102.50
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)=C1	REAL300004807404	0	34	-2.0	-98.05	324.98	2.93	-95.12
CC1=C(C(=O)[O-])SC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)=C1	REAL300004807437	1	33	-2.0	-94.42	303.14	4.44	-89.98
CC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])=C1	REAL300004807496	0	44	-2.0	-118.98	384.56	7.96	-111.02
CC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])=C1	REAL300004807497	0	44	-2.0	-117.96	384.49	7.96	-110.00
CC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])=C1	REAL300004807587	0	38	-2.0	-115.39	352.06	7.07	-108.32
CC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300004807592	0	35	-2.0	-116.88	330.71	6.11	-110.77
CC1=C(C(=O)[O-])SC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300004807623	0	33	-2.0	-118.36	303.86	6.89	-111.47
CC1=C(C(=O)[O-])SC(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])=C1	REAL300004807778	0	38	-2.0	-122.79	349.05	6.69	-116.10
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)=N1	REAL300004807779	0	41	-2.0	-120.75	365.55	7.78	-112.97
CC1=C(C(=O)[O-])SC(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)=C1	REAL300004807849	1	41	-2.0	-113.90	368.26	5.14	-108.76
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300004807900	0	28	-2.0	-93.58	285.74	5.38	-88.20
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300004808040	0	28	-2.0	-95.30	279.54	5.31	-89.99
CCOC1=CC(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)=CC(Cl)=C1[O-]	REAL300004808043	1	35	-2.0	-97.06	330.58	6.37	-90.69
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C)=C(C(=O)[O-])S3)=N2)C=C1	REAL300004808055	0	39	-2.0	-117.98	353.78	5.34	-112.64
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)=CO1	REAL300004808078	1	32	-2.0	-103.39	315.51	0.58	-102.81
CC1=C(C(=O)[O-])SC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300004808166	0	36	-2.0	-102.86	327.98	9.27	-93.59
CC1=C(C(=O)[O-])SC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300004808166	1	36	-2.0	-102.86	327.93	9.27	-93.59
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300004808234	0	31	-2.0	-88.27	299.33	3.48	-84.79
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300004808234	1	31	-2.0	-88.32	299.26	3.47	-84.85
COCC1=NC=C(C(=O)NC2=CC(C)=C(C(=O)[O-])S2)C(=O)[N-]1	REAL300004808555	1	33	-2.0	-93.81	305.26	2.05	-91.76
CC1=C(C(=O)[O-])SC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)=C1	REAL300004808599	1	36	-2.0	-94.06	319.17	4.94	-89.12
CC1=C(C(=O)[O-])SC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300004808898	0	28	-2.0	-105.40	294.12	7.30	-98.10
CC1=C(C(=O)[O-])SC(NC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)=C1	REAL300004809201	0	36	-2.0	-98.29	328.28	4.48	-93.81
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])O1	REAL300004811101	1	40	-2.0	-105.18	343.79	2.20	-102.98
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300004812512	1	36	-2.0	-103.30	305.15	6.01	-97.29
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004812524	1	39	-2.0	-121.49	337.22	7.13	-114.36
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)CCC1=N[N-]N=N1	REAL300004812565	0	36	-2.0	-97.47	303.62	4.48	-92.99
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)CCC1=NN=N[N-]1	REAL300004812565	1	36	-2.0	-97.49	303.68	4.50	-92.99
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])C=N1	REAL300004812628	0	42	-2.0	-110.55	352.07	3.74	-106.81
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004812650	1	41	-2.0	-113.70	331.37	5.06	-108.64
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)C1=CN=CC([O-])=C1	REAL300004812682	1	35	-2.0	-105.25	293.85	4.06	-101.19
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004812764	0	43	-2.0	-129.29	357.57	7.88	-121.41
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004812796	1	41	-2.0	-128.65	328.78	9.19	-119.46
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004813033	0	36	-2.0	-100.50	312.40	6.27	-94.23
COC1=C(C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])NC(=O)[N-]C1=O	REAL300004813046	1	39	-2.0	-100.68	334.37	0.55	-100.13
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)CCCC1=N[N-]N=N1	REAL300004813122	0	39	-2.0	-104.52	325.12	5.26	-99.26
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)CCCC1=NN=N[N-]1	REAL300004813122	1	39	-2.0	-104.50	325.18	5.28	-99.22
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004813153	0	36	-2.0	-100.56	314.94	6.49	-94.07
CCOC1=CC(C(=O)N2CCOC3=CC=CC=C3C2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004813157	1	43	-2.0	-103.57	365.99	7.54	-96.03
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CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	REAL300004815142	0	46	-2.0	-95.37	388.54	4.33	-91.04
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)O1	REAL300004815534	1	40	-2.0	-85.45	354.09	0.49	-84.96
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	REAL300004815759	0	43	-2.0	-94.12	367.09	3.41	-90.71
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CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)C=N1	REAL300004817546	0	42	-2.0	-92.53	365.73	2.60	-89.93
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COC1=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)NC(=O)[N-]C1=O	REAL300004818095	1	39	-2.0	-86.92	338.85	-0.99	-87.91
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O=C([O-])C1=NOC2(C1)CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300004818194	1	39	-2.0	-90.85	329.66	3.72	-87.13
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CCOC1=CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)=CC(Cl)=C1[O-]	REAL300004818235	1	43	-2.0	-90.97	371.50	6.03	-84.94
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)=CO1	REAL300004818268	1	40	-2.0	-90.35	353.33	0.30	-90.05
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O=C([O-])C1=NOC2(C1)CCN(C(=O)C1=C[N-]N=CC1=O)CC2	REAL300004818724	0	34	-2.0	-83.94	297.71	2.97	-80.97
COCC1=NC=C(C(=O)N2CCC3(CC(C(=O)[O-])=NO3)CC2)C(=O)[N-]1	REAL300004818759	1	41	-2.0	-92.68	351.73	1.53	-91.15
O=C([O-])C1=NOC2(C1)CCN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)CC2	REAL300004818808	1	44	-2.0	-94.13	360.96	4.43	-89.70
O=C([O-])C1=NOC2(C1)CCN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300004819128	0	36	-2.0	-90.64	337.25	5.79	-84.85
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300004820948	1	43	-2.0	-119.44	384.04	10.43	-109.01
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)O1	REAL300004821311	1	44	-2.0	-102.33	387.86	3.79	-98.54
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)O1	REAL300004821312	1	35	-2.0	-100.80	332.42	1.39	-99.41
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300004821810	1	42	-2.0	-120.35	374.37	5.72	-114.63
CC1=C(CC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004822003	1	44	-2.0	-131.59	385.02	5.99	-125.60
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CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300004822934	0	37	-2.0	-108.66	341.26	3.65	-105.01
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CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300004823004	0	47	-2.0	-139.65	400.59	8.77	-130.88
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300004823005	0	47	-2.0	-138.00	400.55	8.77	-129.23
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300004823061	0	41	-2.0	-133.43	362.89	7.76	-125.67
O=C([O-])[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=CC=CC=C1	REAL300004823066	0	38	-2.0	-134.93	346.99	6.84	-128.09
O=C([O-])[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC=C1	REAL300004823088	1	36	-2.0	-141.10	320.16	7.71	-133.39
O=C([O-])[C@H](NC(=O)C1=CN=C(I)C([O-])=C1)C1=CC=CC=C1	REAL300004823150	0	30	-2.0	-103.87	301.48	4.74	-99.13
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=N2)=C1	REAL300004823203	0	41	-2.0	-142.48	365.09	7.50	-134.98
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=N1	REAL300004823204	0	44	-2.0	-140.59	374.87	8.57	-132.02
CC1=C(CC(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004823251	1	44	-2.0	-130.05	384.50	5.86	-124.19
O=C([O-])[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300004823293	0	31	-2.0	-101.11	302.01	6.12	-94.99
COC1=C(C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)NC(=O)[N-]C1=O	REAL300004823299	1	34	-2.0	-102.85	308.19	1.18	-101.67
O=C([O-])[C@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC=C1	REAL300004823384	0	31	-2.0	-103.43	295.80	6.06	-97.37
CCOC1=CC(C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300004823388	1	38	-2.0	-106.73	346.63	7.17	-99.56
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](C(=O)[O-])C3=CC=CC=C3)=N2)C=C1	REAL300004823396	0	42	-2.0	-137.53	369.84	6.15	-131.38
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)=CO1	REAL300004823408	1	35	-2.0	-105.94	331.53	1.37	-104.57
O=C([O-])[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300004823524	0	34	-2.0	-95.16	315.56	4.19	-90.97
O=C([O-])[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300004823524	1	34	-2.0	-95.14	315.63	4.19	-90.95
COCC1=NC=C(C(=O)N[C@@H](C(=O)[O-])C2=CC=CC=C2)C(=O)[N-]1	REAL300004823756	1	36	-2.0	-117.69	320.99	2.72	-114.97
O=C([O-])[C@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=CC=C1	REAL300004823793	1	39	-2.0	-118.51	334.76	5.62	-112.89
O=C([O-])[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC=C1	REAL300004824010	0	31	-2.0	-119.75	310.18	8.19	-111.56
O=C([O-])C([N-]C(=O)C(F)(F)C1=CC=CC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300004825190	1	36	-2.0	-129.36	343.17	7.91	-121.45
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300004826221	1	34	-2.0	-98.10	324.52	6.64	-91.46
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300004826274	0	34	-2.0	-94.53	322.16	4.62	-89.91
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300004826274	1	34	-2.0	-94.51	322.22	4.64	-89.87
O=C([O-])C(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC=C(C(F)(F)F)C=C1	REAL300004826337	1	39	-2.0	-109.71	357.45	6.13	-103.58
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300004826352	1	33	-2.0	-101.75	312.95	4.72	-97.03
O=C([O-])C(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300004826432	1	39	-2.0	-131.51	358.26	8.76	-122.75
O=C([O-])C(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300004826635	0	34	-2.0	-95.22	340.76	7.14	-88.08
COC1=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)NC(=O)[N-]C1=O	REAL300004826648	1	37	-2.0	-96.85	346.67	2.26	-94.59
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300004826710	0	37	-2.0	-102.63	343.71	5.40	-97.23
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300004826710	1	37	-2.0	-102.64	343.77	5.42	-97.22
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300004826735	0	34	-2.0	-95.84	334.32	7.14	-88.70
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300004826847	0	37	-2.0	-88.83	353.66	5.24	-83.59
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300004826847	1	37	-2.0	-88.83	353.72	5.25	-83.58
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CC=C(C(F)(F)F)C=C1	REAL300004827001	0	32	-2.0	-99.20	305.81	5.10	-94.10
COCC1=NC=C(C(=O)NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(=O)[N-]1	REAL300004827018	1	39	-2.0	-108.34	359.54	3.71	-104.63
O=C([O-])C(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC=C(C(F)(F)F)C=C1	REAL300004827050	1	42	-2.0	-109.49	373.50	6.62	-102.87
O=C([O-])C([N-]C(=O)C(F)(F)C1=CC=CN=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300004827087	1	35	-2.0	-126.70	338.15	6.10	-120.60
O=C([O-])C([N-]C(=O)C(F)(F)CCN1C=CN=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300004827279	1	38	-2.0	-127.00	359.26	6.14	-120.86
O=C([O-])C([N-]C(=O)C(F)(F)CCN1C=CC=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300004827280	1	39	-2.0	-129.78	367.71	6.71	-123.07
CC1=CC(C(F)(F)C(=O)[N-]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300004827506	1	36	-2.0	-127.13	355.96	7.68	-119.45
CN1C=C(C(F)(F)C(=O)[N-]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300004827507	1	36	-2.0	-124.24	346.20	6.26	-117.98
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=C1	REAL300004829254	0	46	-2.0	-115.99	401.71	5.25	-110.74
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300004829521	0	46	-2.0	-116.99	400.95	5.52	-111.47
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])O1	REAL300004829935	1	40	-2.0	-95.83	372.52	1.33	-94.50
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300004830171	0	43	-2.0	-115.28	380.32	4.56	-110.72
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=CS1	REAL300004830502	1	47	-2.0	-110.96	414.27	5.73	-105.23
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CCC1=CC=NC=C1)C(=O)[O-]	REAL300004830719	0	43	-2.0	-107.84	386.73	4.64	-103.20
CC1=C(C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300004830808	1	49	-2.0	-110.91	404.61	6.06	-104.85
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300004831862	1	36	-2.0	-100.00	326.13	5.52	-94.48
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004831875	1	39	-2.0	-117.49	355.64	8.08	-109.41
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300004831916	0	36	-2.0	-96.80	322.75	3.60	-93.20
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300004831916	1	36	-2.0	-96.81	322.81	3.61	-93.20
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C=N1	REAL300004832006	0	42	-2.0	-103.77	381.37	3.59	-100.18
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004832042	1	41	-2.0	-109.68	358.43	5.05	-104.63
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=CN=CC([O-])=C1	REAL300004832086	1	35	-2.0	-103.88	314.73	3.68	-100.20
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=N1	REAL300004832198	0	46	-2.0	-126.73	408.43	7.72	-119.01
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004832203	0	43	-2.0	-127.60	387.12	6.78	-120.82
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004832249	1	41	-2.0	-132.25	360.03	7.72	-124.53
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CCC3=CC=NC=C3)C(=O)[O-])=N2)=C1	REAL300004832416	0	46	-2.0	-134.81	405.21	7.43	-127.38
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=N1	REAL300004832417	0	49	-2.0	-133.33	421.95	8.45	-124.88
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004832553	0	36	-2.0	-96.94	341.90	6.12	-90.82
COC1=C(C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300004832571	1	39	-2.0	-99.04	348.10	1.13	-97.91
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300004832673	0	39	-2.0	-105.40	344.84	4.40	-101.00
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300004832673	1	39	-2.0	-105.38	344.90	4.42	-100.96
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004832713	0	36	-2.0	-97.68	335.69	6.07	-91.61
CCOC1=CC(C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004832717	1	43	-2.0	-102.19	386.98	7.04	-95.15
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CCC3=CC=NC=C3)C(=O)[O-])=N2)C=C1	REAL300004832726	0	47	-2.0	-129.79	410.19	6.01	-123.78
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])=CO1	REAL300004832750	1	40	-2.0	-102.95	371.66	1.30	-101.65
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004832919	0	39	-2.0	-91.12	355.67	4.13	-86.99
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004832919	1	39	-2.0	-91.06	355.74	4.15	-86.91
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=C[N-]N=CC1=O	REAL300004833217	0	34	-2.0	-99.19	306.35	4.09	-95.10
COCC1=NC=C(C(=O)NC(CCC2=CC=NC=C2)C(=O)[O-])C(=O)[N-]1	REAL300004833253	1	41	-2.0	-109.06	361.11	2.66	-106.40
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004833303	1	44	-2.0	-110.14	375.01	5.55	-104.59
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004833632	0	36	-2.0	-113.46	350.53	8.06	-105.40
CCC1CCCC2=C1N=C([N-]C(=O)CN1C=C(C(=O)[O-])N=N1)S2	REAL300004836674	1	38	-2.0	-102.44	332.06	5.22	-97.22
CCC1CCCC2=C1N=C([N-]C(=O)C13CC(C(=O)[O-])(C1)C3)S2	REAL300004836682	1	40	-2.0	-98.24	333.67	8.12	-90.12
CCC1CCCC2=C1N=C([N-]C(=O)C13CCC(C(=O)[O-])(CC1)C3)S2	REAL300004836685	1	46	-2.0	-100.23	364.06	8.92	-91.31
CCC1CCCC2=C1N=C([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)S2	REAL300004836686	1	49	-2.0	-94.75	375.81	9.44	-85.31
CCC1CCCC2=C1N=C([N-]C(=O)CN1C=C(C(=O)[O-])C=N1)S2	REAL300004836696	1	39	-2.0	-101.24	336.98	6.70	-94.54
CCC1CCCC2=C1N=C([N-]C(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)S2	REAL300004836700	1	48	-2.0	-110.07	398.63	9.12	-100.95
CCC1CCCC2=C1N=C([N-]C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)S2	REAL300004836704	1	43	-2.0	-107.30	352.71	7.96	-99.34
CCC1CCCC2=C1N=C([N-]C(=O)C(C)(C)CCC(=O)[O-])S2	REAL300004836705	1	44	-2.0	-104.10	350.20	8.09	-96.01
CCC1CCCC2=C1N=C([N-]C(=O)COCC1=C(C(=O)[O-])N=CO1)S2	REAL300004836710	1	42	-2.0	-114.43	363.01	4.18	-110.25
CCC1CCCC2=C1N=C([N-]C(=O)CN1C=CC(C(=O)[O-])=N1)S2	REAL300004836716	1	39	-2.0	-115.44	336.31	6.72	-108.72
CCC1CCCC2=C1N=C([N-]C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)S2	REAL300004836719	1	46	-2.0	-104.85	374.17	8.39	-96.46
CCC1CCCC2=C1N=C([N-]C(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)S2	REAL300004836727	1	46	-2.0	-120.21	373.66	10.61	-109.60
CCC1CCCC2=C1N=C([N-]C(=O)CN1C=C(C(=O)[O-])C3=CC=CC=C31)S2	REAL300004836729	1	46	-2.0	-109.53	388.26	10.69	-98.84
CCC1CCCC2=C1N=C([N-]C(=O)C1(C(=O)[O-])CC=CC1)S2	REAL300004836744	1	40	-2.0	-120.99	328.86	7.90	-113.09
CCC1CCCC2=C1N=C([N-]C(=O)[C@@]1(C)C[C@H]1C(=O)[O-])S2	REAL300004836750	1	39	-2.0	-126.29	325.72	7.51	-118.78
CCC1CCCC2=C1N=C([N-]C(=O)C13CC(C(=O)[O-])(C1)CO3)S2	REAL300004836757	1	41	-2.0	-98.52	340.69	6.07	-92.45
CCC1CCCC2=C1N=C([N-]C(=O)C1(C(=O)[O-])CC1C)S2	REAL300004836759	1	39	-2.0	-118.55	319.93	7.94	-110.61
C=C1CCC1(C(=O)[O-])C(=O)[N-]C1=NC2=C(CCCC2CC)S1	REAL300004836767	1	40	-2.0	-120.98	332.54	8.12	-112.86
CCC1CCCC2=C1N=C([N-]C(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])S2	REAL300004836769	1	44	-2.0	-134.28	350.47	6.92	-127.36
CCC1CCCC2=C1N=C([N-]C(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])S2	REAL300004836771	1	45	-2.0	-128.66	359.92	8.61	-120.05
CCC1CCCC2=C1N=C([N-]C(=O)C13CCC(C(=O)[O-])(CC1)CC3)S2	REAL300004836777	1	49	-2.0	-94.75	375.81	9.44	-85.31
C=CCCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300004837106	1	51	-2.0	-105.28	417.33	6.78	-98.50
C=CCCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004837454	0	41	-2.0	-115.42	358.90	4.60	-110.82
C=CCCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300004837764	0	41	-2.0	-116.50	358.98	4.82	-111.68
C=CCCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300004837810	1	43	-2.0	-126.46	381.80	9.69	-116.77
C=CCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300004837992	1	45	-2.0	-106.56	398.90	6.76	-99.80
C=CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300004837993	1	45	-2.0	-111.71	399.08	6.76	-104.95
C=CCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300004838006	0	41	-2.0	-90.77	380.08	5.02	-85.75
C=CCCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300004838238	0	42	-2.0	-108.03	389.99	5.82	-102.21
C=CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300004838256	1	44	-2.0	-96.67	385.41	3.01	-93.66
C=CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300004838257	1	35	-2.0	-96.02	330.79	0.56	-95.46
C=CCCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004838497	0	45	-2.0	-120.58	394.41	2.76	-117.82
C=CCCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004838543	0	38	-2.0	-114.70	337.51	3.92	-110.78
C=CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300004838551	0	42	-2.0	-109.71	390.77	5.84	-103.87
C=CCCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300004838903	1	42	-2.0	-110.22	371.70	5.01	-105.21
C=CCCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004839111	0	38	-2.0	-107.20	343.92	3.98	-103.22
C=CCCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300004839118	1	44	-2.0	-115.60	383.39	5.16	-110.44
C=CCCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300004839123	0	44	-2.0	-117.13	380.48	5.61	-111.52
C=CCCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300004839185	1	44	-2.0	-111.23	362.51	5.36	-105.87
C=CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300004839284	1	45	-2.0	-99.55	398.23	6.79	-92.76
C=CCCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004839833	0	44	-2.0	-119.49	383.99	6.19	-113.30
C=CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004840002	1	34	-2.0	-117.34	313.66	7.38	-109.96
C=CCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300004840089	0	37	-2.0	-103.06	338.56	2.95	-100.11
C=CCCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300004840150	1	44	-2.0	-95.84	394.10	4.98	-90.86
C=CCCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300004840165	0	47	-2.0	-131.81	398.99	7.93	-123.88
C=CCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300004840166	0	47	-2.0	-130.40	398.09	7.98	-122.42
C=CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300004840235	0	41	-2.0	-126.78	366.46	7.03	-119.75
C=CCCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300004840239	0	38	-2.0	-127.57	345.14	6.08	-121.49
C=CCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)[O-]	REAL300004840260	1	36	-2.0	-132.61	318.06	7.02	-125.59
C=CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300004840278	0	38	-2.0	-95.45	360.62	4.18	-91.27
C=CCCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300004840316	0	30	-2.0	-98.95	299.02	3.96	-94.99
C=CCCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300004840365	0	41	-2.0	-134.78	363.24	6.74	-128.04
C=CCCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300004840366	0	44	-2.0	-133.45	380.00	7.75	-125.70
C=CCCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300004840407	1	44	-2.0	-113.44	382.67	5.11	-108.33
C=CCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)[O-]	REAL300004840439	0	31	-2.0	-96.22	300.16	5.37	-90.85
C=CCCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300004840523	1	38	-2.0	-101.51	345.00	6.35	-95.16
C=CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004840527	0	41	-2.0	-135.86	368.39	7.53	-128.33
C=CCCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300004840534	0	42	-2.0	-130.08	367.38	5.37	-124.71
C=CCCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300004840551	1	35	-2.0	-102.17	329.09	0.58	-101.59
C=CCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300004840671	0	34	-2.0	-90.08	313.70	3.43	-86.65
C=CCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300004840671	1	34	-2.0	-90.06	313.77	3.45	-86.61
C=CCCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300004840931	1	39	-2.0	-110.20	333.04	4.85	-105.35
C=CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300004841134	0	31	-2.0	-113.20	307.71	7.42	-105.78
C=CCCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300004841357	0	39	-2.0	-114.04	342.74	4.44	-109.60
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC(CC2=NC=CS2)C(=O)[O-])=C1	REAL300004842142	0	40	-2.0	-117.61	370.38	3.24	-114.37
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300004842427	0	40	-2.0	-116.33	370.70	3.46	-112.87
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC2=NC=CS2)C(=O)[O-])O1	REAL300004842866	1	34	-2.0	-97.96	340.85	-0.69	-98.65
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300004843119	0	37	-2.0	-114.66	349.24	2.56	-112.10
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC2=NC=CS2)C(=O)[O-])=CS1	REAL300004843456	1	41	-2.0	-117.67	382.95	3.72	-113.95
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300004843680	0	37	-2.0	-109.08	355.15	2.70	-106.38
CC1=C(CC(=O)NC(CC2=NC=CS2)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004843682	1	43	-2.0	-128.24	393.79	3.92	-124.32
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC(CC1=NC=CS1)C(=O)[O-]	REAL300004843685	0	43	-2.0	-119.23	391.71	4.31	-114.92
CC1=C(C(=O)NC(CC2=NC=CS2)C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300004843768	1	43	-2.0	-110.41	372.91	4.12	-106.29
O=C([O-])C(CC1=NC=CS1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300004844809	1	30	-2.0	-100.14	294.55	3.57	-96.57
O=C([O-])C(CC1=NC=CS1)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004844821	1	33	-2.0	-116.73	325.37	6.02	-110.71
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300004844934	0	36	-2.0	-103.81	350.03	1.60	-102.21
O=C([O-])C(CC1=NC=CS1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004844968	1	35	-2.0	-113.41	327.35	3.03	-110.38
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300004845119	0	40	-2.0	-127.85	376.53	5.76	-122.09
O=C([O-])C(CC1=NC=CS1)NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004845124	0	37	-2.0	-128.55	356.03	4.77	-123.78
O=C([O-])C(CC1=NC=CS1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004845165	1	35	-2.0	-133.69	329.19	5.64	-128.05
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC3=NC=CS3)C(=O)[O-])=N2)=C1	REAL300004845329	0	40	-2.0	-136.11	373.54	5.40	-130.71
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC2=NC=CS2)C(=O)[O-])=N1	REAL300004845330	0	43	-2.0	-134.78	390.89	6.44	-128.34
CC1=C(CC(=O)NC(CC2=NC=CS2)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004845407	1	43	-2.0	-126.85	393.05	3.86	-122.99
O=C([O-])C(CC1=NC=CS1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004845469	0	30	-2.0	-97.27	310.80	4.06	-93.21
COC1=C(C(=O)NC(CC2=NC=CS2)C(=O)[O-])NC(=O)[N-]C1=O	REAL300004845486	1	33	-2.0	-97.76	317.20	-0.88	-98.64
O=C([O-])C(CC1=NC=CS1)NC(=O)CCCC1=N[N-]N=N1	REAL300004845585	0	33	-2.0	-106.52	313.50	2.39	-104.13
O=C([O-])C(CC1=NC=CS1)NC(=O)CCCC1=NN=N[N-]1	REAL300004845585	1	33	-2.0	-106.54	313.56	2.41	-104.13
O=C([O-])C(CC1=NC=CS1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004845623	0	30	-2.0	-98.27	304.59	3.99	-94.28
CCOC1=CC(C(=O)NC(CC2=NC=CS2)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004845627	1	37	-2.0	-102.51	355.64	5.04	-97.47
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC3=NC=CS3)C(=O)[O-])=N2)C=C1	REAL300004845637	0	41	-2.0	-131.27	378.27	4.05	-127.22
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC2=NC=CS2)C(=O)[O-])=CO1	REAL300004845661	1	34	-2.0	-103.07	340.32	-0.71	-103.78
O=C([O-])C(CC1=NC=CS1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004845824	0	33	-2.0	-91.35	324.59	2.12	-89.23
O=C([O-])C(CC1=NC=CS1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004845824	1	33	-2.0	-91.35	324.66	2.13	-89.22
COCC1=NC=C(C(=O)NC(CC2=NC=CS2)C(=O)[O-])C(=O)[N-]1	REAL300004846154	1	35	-2.0	-109.05	329.53	0.70	-108.35
O=C([O-])C(CC1=NC=CS1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004846202	1	38	-2.0	-114.03	343.93	3.54	-110.49
O=C([O-])C(CC1=NC=CS1)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004846521	0	30	-2.0	-113.27	319.45	6.07	-107.20
O=C([O-])C(CC1=CC=CC=C1Br)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300004848094	1	34	-2.0	-100.17	322.64	6.65	-93.52
O=C([O-])C(CC1=CC=CC=C1Br)NC(=O)CCC1=N[N-]N=N1	REAL300004848151	0	34	-2.0	-98.87	323.97	4.87	-94.00
O=C([O-])C(CC1=CC=CC=C1Br)NC(=O)CCC1=NN=N[N-]1	REAL300004848151	1	34	-2.0	-98.89	324.03	4.88	-94.01
O=C([O-])C(CC1=CC=CC=C1Br)NC(=O)C1=CN=CC([O-])=C1	REAL300004848208	1	33	-2.0	-106.53	314.53	4.96	-101.57
O=C([O-])C(CC1=CC=CC=C1Br)NC(=O)CCCC1=N[N-]N=N1	REAL300004848463	0	37	-2.0	-108.46	345.48	5.65	-102.81
O=C([O-])C(CC1=CC=CC=C1Br)NC(=O)CCCC1=NN=N[N-]1	REAL300004848463	1	37	-2.0	-108.47	345.54	5.67	-102.80
O=C([O-])C(CC1=CC=CC=C1Br)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004848479	0	34	-2.0	-97.93	332.44	7.13	-90.80
O=C([O-])C(CC1=CC=CC=C1Br)NC(=O)C1=C[N-]N=CC1=O	REAL300004848670	0	32	-2.0	-102.34	307.59	5.35	-96.99
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=C1	REAL300004850030	1	38	-2.0	-96.21	350.91	5.21	-91.00
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300004850319	1	38	-2.0	-120.59	350.99	5.43	-115.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)O1	REAL300004850763	1	32	-2.0	-95.46	321.65	1.23	-94.23
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300004851018	0	35	-2.0	-118.78	329.52	4.53	-114.25
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CS1	REAL300004851356	1	39	-2.0	-122.54	363.41	5.65	-116.89
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300004851580	0	35	-2.0	-110.44	335.63	4.61	-105.83
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C(Cl)C(C(=O)[O-])=C1	REAL300004851585	1	41	-2.0	-121.16	372.49	6.22	-114.94
COC1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C([O-])=C1	REAL300004852164	1	32	-2.0	-103.84	296.36	6.23	-97.61
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(F)=C2)=CC=C1Cl	REAL300004852710	1	28	-2.0	-103.21	275.32	5.46	-97.75
O=C([O-])C1=CC(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=CC=C1Cl	REAL300004852722	1	31	-2.0	-123.33	305.36	7.91	-115.42
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C=N1	REAL300004852830	0	34	-2.0	-104.42	330.27	3.57	-100.85
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)=C1	REAL300004852923	0	44	-2.0	-131.73	389.86	8.61	-123.12
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)C=C1	REAL300004852924	0	44	-2.0	-131.39	390.09	8.59	-122.80
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300004853018	0	38	-2.0	-103.78	357.11	7.73	-96.05
O=C([O-])C1=CC(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=CC=C1Cl	REAL300004853023	0	35	-2.0	-129.43	336.29	6.74	-122.69
O=C([O-])C1=CC(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=CC=C1Cl	REAL300004853064	0	33	-2.0	-132.25	309.47	7.54	-124.71
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)=C1	REAL300004853227	0	38	-2.0	-135.97	354.35	7.34	-128.63
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=N1	REAL300004853228	0	41	-2.0	-108.02	364.02	8.48	-99.54
O=C([O-])C1=CC(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=CC=C1Cl	REAL300004853367	0	28	-2.0	-100.95	291.08	6.02	-94.93
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL300004853483	0	31	-2.0	-115.76	293.98	4.32	-111.44
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL300004853483	1	31	-2.0	-115.83	294.04	4.34	-111.49
O=C([O-])C1=CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)=CC=C1Cl	REAL300004853520	0	28	-2.0	-86.69	285.12	5.95	-80.74
CCOC1=CC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300004853524	1	35	-2.0	-104.45	335.92	7.00	-97.45
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=C(Cl)C(C(=O)[O-])=C3)=N2)C=C1	REAL300004853534	0	39	-2.0	-131.17	359.38	5.97	-125.20
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)=CO1	REAL300004853558	1	32	-2.0	-112.44	321.10	1.21	-111.23
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=CC=C1Cl	REAL300004853650	0	36	-2.0	-94.69	333.30	9.91	-84.78
O=C([O-])C1=CC(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=CC=C1Cl	REAL300004853650	1	36	-2.0	-94.59	333.25	9.92	-84.67
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1Cl	REAL300004853721	0	31	-2.0	-93.59	304.93	4.11	-89.48
O=C([O-])C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1Cl	REAL300004853721	1	31	-2.0	-93.62	304.87	4.10	-89.52
COCC1=NC=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(=O)[N-]1	REAL300004854054	1	33	-2.0	-92.81	310.14	2.63	-90.18
O=C([O-])C1=CC(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=CC=C1Cl	REAL300004854421	0	28	-2.0	-118.21	299.74	7.95	-110.26
CC1=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(=O)NC(C2=CC=CO2)=N1	REAL300004854728	0	36	-2.0	-103.51	333.58	5.11	-98.40
CC1=C(C(=O)NC2=CC=C(Cl)C(C(=O)[O-])=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004854728	1	36	-2.0	-103.51	333.58	5.11	-98.40
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])O1	REAL300004855836	1	35	-2.0	-91.77	360.11	1.10	-90.67
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300004857099	1	31	-2.0	-96.96	314.31	5.31	-91.65
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004857111	1	34	-2.0	-111.46	344.65	7.84	-103.62
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)CCC1=N[N-]N=N1	REAL300004857153	0	31	-2.0	-92.32	311.76	3.37	-88.95
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)CCC1=NN=N[N-]1	REAL300004857153	1	31	-2.0	-92.30	311.82	3.38	-88.92
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)C1=CN=CC([O-])=C1	REAL300004857249	1	30	-2.0	-98.88	303.16	3.41	-95.47
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004857352	1	36	-2.0	-125.70	348.45	7.46	-118.24
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004857579	0	31	-2.0	-92.63	329.49	5.91	-86.72
COC1=C(C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])NC(=O)[N-]C1=O	REAL300004857592	1	34	-2.0	-93.08	335.64	0.96	-92.12
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL300004857662	0	34	-2.0	-100.41	333.26	4.15	-96.26
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL300004857662	1	34	-2.0	-100.45	333.32	4.16	-96.29
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004857690	0	31	-2.0	-94.16	324.11	5.79	-88.37
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])=CO1	REAL300004857711	1	35	-2.0	-98.37	360.08	1.05	-97.32
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004857830	0	34	-2.0	-86.47	343.85	3.95	-82.52
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004857830	1	34	-2.0	-86.43	343.92	3.95	-82.48
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)C1=C[N-]N=CC1=O	REAL300004858027	0	29	-2.0	-93.67	295.37	3.84	-89.83
COCC1=NC=C(C(=O)N[C@@H](CCSC(F)(F)F)C(=O)[O-])C(=O)[N-]1	REAL300004858049	1	36	-2.0	-102.04	348.30	2.48	-99.56
O=C([O-])[C@H](CCSC(F)(F)F)[N-]C(=O)C(F)(F)C1=CC=CN=C1	REAL300004858131	1	32	-2.0	-117.33	323.28	5.33	-112.00
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004858294	0	31	-2.0	-107.55	337.88	7.91	-99.64
O=C([O-])[C@H](CCSC(F)(F)F)[N-]C(=O)C(F)(F)CCN1C=CN=N1	REAL300004858369	1	35	-2.0	-122.16	349.12	3.99	-118.17
CC1=CC(F)=CC=C1C(F)(F)C(=O)[N-][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300004858370	1	36	-2.0	-114.98	349.65	6.81	-108.17
CN1C=C(C(F)(F)C(=O)[N-][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N1	REAL300004858647	1	33	-2.0	-117.52	332.77	4.93	-112.59
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300004858663	1	36	-2.0	-120.58	349.68	7.45	-113.13
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)CC2)O1	REAL300004859941	1	44	-2.0	-95.32	381.97	1.50	-93.82
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)N=N1	REAL300004861349	1	40	-2.0	-101.12	337.88	5.26	-95.86
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2)N=N1	REAL300004861364	1	43	-2.0	-112.51	372.88	6.62	-105.89
O=C([O-])C1=CN(C2CCCN(C(=O)CCC3=NN=N[N-]3)CC2)N=N1	REAL300004861425	0	40	-2.0	-96.82	334.70	3.69	-93.13
O=C([O-])C1=CN(C2CCCN(C(=O)CCC3=N[N-]N=N3)CC2)N=N1	REAL300004861425	1	40	-2.0	-96.83	334.64	3.67	-93.16
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)N=N1	REAL300004861512	1	45	-2.0	-110.93	375.06	4.55	-106.38
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CN=CC([O-])=C3)CC2)N=N1	REAL300004861538	1	39	-2.0	-107.78	327.02	3.28	-104.50
O=C([O-])C1=CN(C2CCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)N=N1	REAL300004861668	1	45	-2.0	-114.58	367.53	8.71	-105.87
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)N=N1	REAL300004861938	0	40	-2.0	-102.12	349.03	5.67	-96.45
COC1=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)CC2)NC(=O)[N-]C1=O	REAL300004861957	1	43	-2.0	-98.54	366.28	-0.13	-98.67
O=C([O-])C1=CN(C2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)N=N1	REAL300004862047	0	43	-2.0	-107.16	357.45	4.48	-102.68
O=C([O-])C1=CN(C2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)N=N1	REAL300004862047	1	43	-2.0	-107.16	357.39	4.46	-102.70
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)N=N1	REAL300004862079	0	40	-2.0	-98.04	347.68	5.74	-92.30
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)CC2)=CO1	REAL300004862109	1	44	-2.0	-102.32	377.02	1.05	-101.27
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)N=N1	REAL300004862236	0	43	-2.0	-97.77	363.12	5.01	-92.76
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)N=N1	REAL300004862236	1	43	-2.0	-97.79	363.05	5.01	-92.78
O=C([O-])C1=CN(C2CCCN(C(=O)C3=C[N-]N=CC3=O)CC2)N=N1	REAL300004862460	0	38	-2.0	-99.32	324.49	3.74	-95.58
COCC1=NC=C(C(=O)N2CCCC(N3C=C(C(=O)[O-])N=N3)CC2)C(=O)[N-]1	REAL300004862489	1	45	-2.0	-109.49	376.90	2.20	-107.29
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)N=N1	REAL300004862530	1	48	-2.0	-111.13	390.83	5.10	-106.03
O=C([O-])C1=CN(C2CCCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)N=N1	REAL300004862786	0	40	-2.0	-100.16	360.36	6.25	-93.91
O=C([O-])C(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CSC(Br)=C1	REAL300004864351	1	28	-2.0	-98.01	297.69	5.30	-92.71
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CSC(Br)=C1	REAL300004864393	0	28	-2.0	-94.85	295.76	3.29	-91.56
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CSC(Br)=C1	REAL300004864393	1	28	-2.0	-94.80	295.81	3.31	-91.49
O=C([O-])C(NC(=O)C1=CN=CC([O-])=C1)C1=CSC(Br)=C1	REAL300004864455	1	27	-2.0	-102.15	286.55	3.40	-98.75
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CSC(Br)=C1	REAL300004864710	0	31	-2.0	-103.16	317.00	4.15	-99.01
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CSC(Br)=C1	REAL300004864710	1	31	-2.0	-103.16	317.05	4.16	-99.00
O=C([O-])C(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CSC(Br)=C1	REAL300004864728	0	28	-2.0	-95.91	307.49	5.79	-90.12
O=C([O-])C(NC(=O)C1=C[N-]N=CC1=O)C1=CSC(Br)=C1	REAL300004864918	0	26	-2.0	-98.51	278.76	3.84	-94.67
O=C([O-])C([N-]C(=O)C(F)(F)C1=CC=CN=C1)C1=CSC(Br)=C1	REAL300004864979	1	29	-2.0	-126.17	310.14	5.25	-120.92
CN1C=C(C(F)(F)C(=O)[N-]C(C(=O)[O-])C2=CSC(Br)=C2)C=N1	REAL300004865266	1	30	-2.0	-124.61	319.62	4.84	-119.77
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2CCC3(CC3C(=O)[O-])CC2)=C1	REAL300004866465	0	48	-2.0	-107.05	391.13	5.78	-101.27
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCC2(CC2C(=O)[O-])CC1	REAL300004866764	0	48	-2.0	-108.09	391.20	6.00	-102.09
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCC3(CC3C(=O)[O-])CC2)O1	REAL300004867222	1	51	-2.0	-92.73	420.37	4.34	-88.39
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2CCC3(CC3C(=O)[O-])CC2)O1	REAL300004867223	1	42	-2.0	-92.15	365.60	1.89	-90.26
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCC2(CC2C(=O)[O-])CC1	REAL300004867484	0	45	-2.0	-106.45	369.73	5.11	-101.34
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2CCC3(CC3C(=O)[O-])CC2)=CS1	REAL300004867824	1	49	-2.0	-104.70	403.91	6.20	-98.50
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1CCC2(CC2C(=O)[O-])CC1	REAL300004868054	0	45	-2.0	-100.42	376.15	5.17	-95.25
CC1=C(CC(=O)NC2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004868056	1	51	-2.0	-118.29	417.28	6.44	-111.85
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1CCC2(CC2C(=O)[O-])CC1	REAL300004868059	0	51	-2.0	-108.52	412.70	6.80	-101.72
CC1=C(C(=O)NC2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004868142	1	51	-2.0	-103.05	394.00	6.59	-96.46
O=C([O-])C1CC12CCC(NC(=O)C1=CC=C([O-])C(F)=C1)CC2	REAL300004869200	1	38	-2.0	-97.72	315.55	6.05	-91.67
O=C([O-])C1CC12CCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])CC2	REAL300004869212	1	41	-2.0	-107.85	345.87	8.56	-99.29
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2CCC3(CC3C(=O)[O-])CC2)C=N1	REAL300004869318	0	44	-2.0	-100.64	370.79	4.13	-96.51
O=C([O-])C1CC12CCC(NC(=O)C1=CN=C(C3CC3)[N-]C1=O)CC2	REAL300004869353	1	43	-2.0	-101.77	348.51	5.52	-96.25
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3CCC4(CC4C(=O)[O-])CC3)=N2)=C1	REAL300004869411	0	54	-2.0	-120.88	430.39	9.17	-111.71
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3CCC4(CC4C(=O)[O-])CC3)=N2)C=C1	REAL300004869412	0	54	-2.0	-119.63	430.32	9.17	-110.46
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2CCC3(CC3C(=O)[O-])CC2)=N1	REAL300004869508	0	48	-2.0	-116.11	397.85	8.29	-107.82
O=C([O-])C1CC12CCC(NC(=O)C1=NN(C3=CC=CC(F)=C3)C=C1[O-])CC2	REAL300004869513	0	45	-2.0	-117.46	376.54	7.32	-110.14
O=C([O-])C1CC12CCC(NC(=O)C1=C([O-])C3=CC=CC=C3C=N1)CC2	REAL300004869555	1	43	-2.0	-119.28	349.69	8.19	-111.09
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3CCC4(CC4C(=O)[O-])CC3)=N2)=C1	REAL300004869720	0	48	-2.0	-124.10	394.88	7.91	-116.19
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2CCC3(CC3C(=O)[O-])CC2)=N1	REAL300004869721	0	51	-2.0	-122.63	411.37	8.98	-113.65
CC1=C(CC(=O)NC2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004869798	1	51	-2.0	-117.19	417.47	6.44	-110.75
O=C([O-])C1CC12CCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)CC2	REAL300004869860	0	38	-2.0	-90.74	334.97	6.69	-84.05
COC1=C(C(=O)NC2CCC3(CC3C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300004869877	1	41	-2.0	-97.04	337.70	1.65	-95.39
O=C([O-])C1CC12CCC(NC(=O)CCCC1=N[N-]N=N1)CC2	REAL300004869976	0	41	-2.0	-101.06	334.49	4.87	-96.19
O=C([O-])C1CC12CCC(NC(=O)CCCC1=NN=N[N-]1)CC2	REAL300004869976	1	41	-2.0	-101.07	334.55	4.88	-96.19
O=C([O-])C1CC12CCC(NC(=O)C1=CC=C([O-])C(Cl)=C1)CC2	REAL300004870013	0	38	-2.0	-94.68	325.34	6.53	-88.15
CCOC1=CC(C(=O)NC2CCC3(CC3C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300004870017	1	45	-2.0	-99.12	376.40	7.57	-91.55
COC1=CC=C(N2C=C([O-])C(C(=O)NC3CCC4(CC4C(=O)[O-])CC3)=N2)C=C1	REAL300004870027	0	49	-2.0	-119.52	399.61	6.55	-112.97
C[N-]S(=O)(=O)C1=CC(C(=O)NC2CCC3(CC3C(=O)[O-])CC2)=CO1	REAL300004870051	1	42	-2.0	-100.69	361.32	1.77	-98.92
O=C([O-])C1CC12CCC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300004870217	0	41	-2.0	-89.97	345.09	4.67	-85.30
O=C([O-])C1CC12CCC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300004870217	1	41	-2.0	-89.96	345.16	4.69	-85.27
COCC1=NC=C(C(=O)NC2CCC3(CC3C(=O)[O-])CC2)C(=O)[N-]1	REAL300004870552	1	43	-2.0	-95.21	353.77	3.25	-91.96
O=C([O-])C1CC12CCC(NC(=O)C1=CN=C(C3CCC3)[N-]C1=O)CC2	REAL300004870600	1	46	-2.0	-101.91	364.26	6.07	-95.84
O=C([O-])C1CC12CCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])CC2	REAL300004870922	0	38	-2.0	-103.94	339.94	8.60	-95.34
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2(CC(=O)[O-])CCCC2)=C1	REAL300004872718	0	47	-2.0	-109.91	377.91	5.28	-104.63
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(CC(=O)[O-])CCCC1	REAL300004873028	0	47	-2.0	-110.94	377.98	5.51	-105.43
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2(CC(=O)[O-])CCCC2)C=C1	REAL300004873076	1	49	-2.0	-107.81	400.58	10.34	-97.47
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(CC(=O)[O-])CCCC2)O1	REAL300004873517	1	50	-2.0	-95.77	404.73	3.72	-92.05
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2(CC(=O)[O-])CCCC2)O1	REAL300004873518	1	41	-2.0	-94.57	349.96	1.28	-93.29
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(CC(=O)[O-])CCCC1	REAL300004873790	0	44	-2.0	-109.22	356.52	4.61	-104.61
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2(CC(=O)[O-])CCCC2)=CS1	REAL300004874148	1	48	-2.0	-113.26	391.16	5.61	-107.65
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1(CC(=O)[O-])CCCC1	REAL300004874388	0	44	-2.0	-102.45	362.93	4.67	-97.78
CC1=C(CC(=O)NCC2(CC(=O)[O-])CCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004874391	1	50	-2.0	-124.77	402.01	5.82	-118.95
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1(CC(=O)[O-])CCCC1	REAL300004874394	0	50	-2.0	-111.45	399.48	6.29	-105.16
CC1=C(C(=O)NCC2(CC(=O)[O-])CCCC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004874475	1	50	-2.0	-110.43	381.03	6.05	-104.38
O=C([O-])CC1(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CCCC1	REAL300004875516	1	40	-2.0	-110.85	332.67	8.06	-102.79
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2(CC(=O)[O-])CCCC2)C=N1	REAL300004875623	0	43	-2.0	-100.67	357.56	3.63	-97.04
O=C([O-])CC1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCC1	REAL300004875656	1	42	-2.0	-105.03	335.30	5.04	-99.99
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3(CC(=O)[O-])CCCC3)=N2)=C1	REAL300004875715	0	53	-2.0	-125.19	418.16	8.67	-116.52
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3(CC(=O)[O-])CCCC3)=N2)C=C1	REAL300004875716	0	53	-2.0	-123.57	418.09	8.67	-114.90
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2(CC(=O)[O-])CCCC2)=N1	REAL300004875806	0	47	-2.0	-119.95	385.00	7.81	-112.14
O=C([O-])CC1(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CCCC1	REAL300004875811	0	44	-2.0	-120.98	364.31	6.82	-114.16
O=C([O-])CC1(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)CCCC1	REAL300004875842	1	42	-2.0	-124.85	337.46	7.69	-117.16
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3(CC(=O)[O-])CCCC3)=N2)=C1	REAL300004875997	0	47	-2.0	-127.45	383.03	7.32	-120.13
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2(CC(=O)[O-])CCCC2)=N1	REAL300004875998	0	50	-2.0	-129.40	392.53	8.45	-120.95
CC1=C(CC(=O)NCC2(CC(=O)[O-])CCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004876068	1	50	-2.0	-108.63	401.16	5.90	-102.73
O=C([O-])CC1(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)CCCC1	REAL300004876119	0	37	-2.0	-93.87	318.33	6.08	-87.79
COC1=C(C(=O)NCC2(CC(=O)[O-])CCCC2)NC(=O)[N-]C1=O	REAL300004876131	1	40	-2.0	-95.86	325.29	1.19	-94.67
O=C([O-])CC1(CNC(=O)C2=CC=C([O-])C(Cl)=C2)CCCC1	REAL300004876259	0	37	-2.0	-94.38	312.12	6.03	-88.35
CCOC1=CC(C(=O)NCC2(CC(=O)[O-])CCCC2)=CC(Cl)=C1[O-]	REAL300004876262	1	44	-2.0	-98.78	363.17	7.06	-91.72
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3(CC(=O)[O-])CCCC3)=N2)C=C1	REAL300004876274	0	48	-2.0	-123.36	387.38	6.05	-117.31
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2(CC(=O)[O-])CCCC2)=CO1	REAL300004876297	1	41	-2.0	-99.62	349.47	1.18	-98.44
O=C([O-])CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300004876453	0	40	-2.0	-88.63	333.24	4.09	-84.54
O=C([O-])CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300004876453	1	40	-2.0	-88.57	333.31	4.10	-84.47
COCC1=NC=C(C(=O)NCC2(CC(=O)[O-])CCCC2)C(=O)[N-]1	REAL300004876774	1	42	-2.0	-104.00	337.14	2.70	-101.30
O=C([O-])CC1(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCCC1	REAL300004876818	1	45	-2.0	-105.18	351.05	5.59	-99.59
O=C([O-])CC1(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CCCC1	REAL300004877117	0	37	-2.0	-107.02	326.73	8.12	-98.90
CC1=C(C(=O)NCC2(CC(=O)[O-])CCCC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004877420	0	45	-2.0	-113.20	361.28	5.13	-108.07
CC1=C(CNC(=O)C2=CC(C)=CC=C2[N-]S(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300004878332	0	41	-2.0	-99.28	368.04	4.05	-95.23
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C)OC(C(=O)[O-])=C1	REAL300004878647	0	41	-2.0	-100.24	368.12	4.27	-95.97
CC1=C(CNC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C=C(C(=O)[O-])O1	REAL300004878697	1	43	-2.0	-102.28	390.48	9.19	-93.09
CC1=C(CNC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C=C(C(=O)[O-])O1	REAL300004879140	1	44	-2.0	-95.08	392.71	2.59	-92.49
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=C(C)OC(C(=O)[O-])=C2)O1	REAL300004879141	1	35	-2.0	-94.83	339.09	0.05	-94.78
CC1=C(CNC(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300004879414	0	38	-2.0	-98.94	346.65	3.37	-95.57
CC1=C(CNC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C=C(C(=O)[O-])O1	REAL300004879783	1	42	-2.0	-100.79	380.83	4.47	-96.32
CC1=C(CNC(=O)C2=CC(F)=CC=C2[N-]S(C)(=O)=O)C=C(C(=O)[O-])O1	REAL300004880019	0	38	-2.0	-94.18	353.06	3.44	-90.74
CC1=C(CNC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C=C(C(=O)[O-])O1	REAL300004880022	1	44	-2.0	-107.64	390.77	4.63	-103.01
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=C(C)OC(C(=O)[O-])=C1	REAL300004880025	0	44	-2.0	-100.65	389.61	5.06	-95.59
CC1=C(CNC(=O)C2=C(C)N=C(C(C)(C)C)[N-]C2=O)C=C(C(=O)[O-])O1	REAL300004880105	1	44	-2.0	-97.85	370.73	4.86	-92.99
CC1=C(CNC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=C(C(=O)[O-])O1	REAL300004881136	1	34	-2.0	-98.49	322.80	6.85	-91.64
CC1=C(CNC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=C(C(=O)[O-])O1	REAL300004881244	0	37	-2.0	-97.84	347.70	2.39	-95.45
CC1=C(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=C(C(=O)[O-])O1	REAL300004881277	1	36	-2.0	-96.62	325.51	3.80	-92.82
CC1=C(CNC(=O)C2=NN(C3=CC=CC(C(C)C)=C3)C=C2[O-])C=C(C(=O)[O-])O1	REAL300004881335	0	47	-2.0	-111.66	407.30	7.44	-104.22
CC1=C(CNC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C=C(C(=O)[O-])O1	REAL300004881336	0	47	-2.0	-110.20	407.23	7.43	-102.77
CC1=C(CNC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C=C(C(=O)[O-])O1	REAL300004881426	0	41	-2.0	-107.40	374.78	6.53	-100.87
CC1=C(CNC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C=C(C(=O)[O-])O1	REAL300004881431	0	38	-2.0	-107.83	353.45	5.58	-102.25
CC1=C(CNC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=C(C(=O)[O-])O1	REAL300004881462	1	36	-2.0	-108.87	326.60	6.46	-102.41
CC1=C(CNC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C=C(C(=O)[O-])O1	REAL300004881615	0	41	-2.0	-114.05	371.79	6.17	-107.88
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=C(C)OC(C(=O)[O-])=C2)=N1	REAL300004881616	0	44	-2.0	-111.05	381.30	7.31	-103.74
CC1=C(CNC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C=C(C(=O)[O-])O1	REAL300004881687	1	44	-2.0	-106.55	390.97	4.62	-101.93
CC1=C(CNC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300004881737	0	31	-2.0	-91.53	308.46	4.86	-86.67
COC1=C(C(=O)NCC2=C(C)OC(C(=O)[O-])=C2)NC(=O)[N-]C1=O	REAL300004881748	1	34	-2.0	-94.66	314.41	-0.08	-94.74
CC1=C(CNC(=O)C2=CC=C([O-])C(Cl)=C2)C=C(C(=O)[O-])O1	REAL300004881873	0	31	-2.0	-91.26	302.25	4.79	-86.47
CCOC1=CC(C(=O)NCC2=C(C)OC(C(=O)[O-])=C2)=CC(Cl)=C1[O-]	REAL300004881876	1	38	-2.0	-95.64	353.31	5.83	-89.81
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=C(C)OC(C(=O)[O-])=C3)=N2)C=C1	REAL300004881888	0	42	-2.0	-110.31	376.52	4.82	-105.49
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=C(C)OC(C(=O)[O-])=C2)=CO1	REAL300004881911	1	35	-2.0	-95.65	338.23	0.04	-95.61
CC1=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C(C(=O)[O-])O1	REAL300004882068	0	34	-2.0	-88.60	322.00	2.94	-85.66
CC1=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C(C(=O)[O-])O1	REAL300004882068	1	34	-2.0	-88.54	322.07	2.95	-85.59
COCC1=NC=C(C(=O)NCC2=C(C)OC(C(=O)[O-])=C2)C(=O)[N-]1	REAL300004882387	1	36	-2.0	-95.78	327.36	1.45	-94.33
CC1=C(CNC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=C(C(=O)[O-])O1	REAL300004882431	1	39	-2.0	-96.70	341.27	4.35	-92.35
CC1=C(CNC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=C(C(=O)[O-])O1	REAL300004882729	0	31	-2.0	-95.40	316.86	6.89	-88.51
CC1=C(CNC(=O)C2=C(C)N=C(C3=CC=CO3)[N-]C2=O)C=C(C(=O)[O-])O1	REAL300004883029	0	39	-2.0	-101.06	350.97	3.95	-97.11
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])=C1	REAL300004884620	0	47	-2.0	-111.88	375.19	5.00	-106.88
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300004884930	0	47	-2.0	-113.13	375.28	5.23	-107.90
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])C=C1	REAL300004884978	1	49	-2.0	-124.70	397.41	10.08	-114.62
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])O1	REAL300004885419	1	50	-2.0	-91.78	399.87	3.55	-88.23
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])O1	REAL300004885420	1	41	-2.0	-91.41	346.24	1.02	-90.39
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300004885692	0	44	-2.0	-111.48	353.81	4.33	-107.15
CC(C)C(=O)[N-]C1=NC(CC(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])=CS1	REAL300004886050	1	48	-2.0	-116.02	389.75	5.38	-110.64
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300004886290	0	44	-2.0	-103.79	360.22	4.39	-99.40
CC1=C(CC(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004886293	1	50	-2.0	-123.32	398.20	5.52	-117.80
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC[C@H]1CCCC[C@H]1C(=O)[O-]	REAL300004886296	0	50	-2.0	-113.58	396.76	6.01	-107.57
CC1=C(C(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[N-]C(C(C)(C)C)=N1	REAL300004886377	1	50	-2.0	-101.47	378.63	5.84	-95.63
O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004887418	1	40	-2.0	-114.12	329.95	7.80	-106.32
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])C=N1	REAL300004887525	0	43	-2.0	-99.34	354.84	3.36	-95.98
O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004887558	1	42	-2.0	-100.48	332.44	4.82	-95.66
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC[C@H]3CCCC[C@H]3C(=O)[O-])=N2)=C1	REAL300004887617	0	53	-2.0	-127.64	416.21	8.36	-119.28
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC[C@H]3CCCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300004887618	0	53	-2.0	-123.79	414.37	8.41	-115.38
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])=N1	REAL300004887708	0	47	-2.0	-122.88	378.26	7.43	-115.45
O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004887713	0	44	-2.0	-124.47	362.36	6.51	-117.96
O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004887744	1	42	-2.0	-125.64	333.75	7.43	-118.21
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC[C@H]3CCCC[C@H]3C(=O)[O-])=N2)=C1	REAL300004887899	0	47	-2.0	-131.07	380.70	7.09	-123.98
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])=N1	REAL300004887900	0	50	-2.0	-129.37	397.17	8.18	-121.19
CC1=C(CC(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004887970	1	50	-2.0	-122.05	398.38	5.51	-116.54
O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004888021	0	37	-2.0	-96.31	315.89	5.75	-90.56
COC1=C(C(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300004888033	1	40	-2.0	-95.18	321.82	0.90	-94.28
O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004888161	0	37	-2.0	-98.34	309.68	5.68	-92.66
CCOC1=CC(C(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004888164	1	44	-2.0	-100.89	360.73	6.72	-94.17
COC1=CC=C(N2C=C([O-])C(C(=O)NC[C@H]3CCCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300004888176	0	48	-2.0	-123.66	383.66	5.79	-117.87
C[N-]S(=O)(=O)C1=CC(C(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])=CO1	REAL300004888199	1	41	-2.0	-103.64	345.66	0.94	-102.70
O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004888355	0	40	-2.0	-90.73	330.93	3.85	-86.88
O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004888355	1	40	-2.0	-90.67	330.99	3.85	-86.82
COCC1=NC=C(C(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[N-]1	REAL300004888676	1	42	-2.0	-99.54	334.54	2.41	-97.13
O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004888720	1	45	-2.0	-100.38	348.28	5.38	-95.00
O=C([O-])[C@@H]1CCCC[C@@H]1CNC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004889019	0	37	-2.0	-111.72	325.79	7.79	-103.93
CC1=C(C(=O)NC[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004889322	0	45	-2.0	-104.32	358.85	4.92	-99.40
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])C=C1	REAL300004890428	1	49	-2.0	-105.29	395.30	10.93	-94.36
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])O1	REAL300004890789	1	50	-2.0	-105.05	400.94	3.78	-101.27
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])O1	REAL300004890790	1	41	-2.0	-103.37	346.18	1.33	-102.04
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])=CS1	REAL300004891277	1	48	-2.0	-101.77	386.03	6.22	-95.55
CC1=C(CC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004891475	1	50	-2.0	-109.21	395.95	6.37	-102.84
O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004892355	1	40	-2.0	-110.05	327.94	8.58	-101.47
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])C=N1	REAL300004892440	0	43	-2.0	-107.27	354.90	3.72	-103.55
O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004892461	1	42	-2.0	-117.83	329.61	5.77	-112.06
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CCCCC[C@H]3C(=O)[O-])=N2)=C1	REAL300004892513	0	53	-2.0	-131.54	412.45	9.19	-122.35
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCCCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300004892514	0	53	-2.0	-128.91	412.37	9.20	-119.71
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])=N1	REAL300004892576	0	47	-2.0	-124.00	379.93	8.30	-115.70
O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004892581	0	44	-2.0	-124.73	358.59	7.34	-117.39
O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004892605	1	42	-2.0	-128.57	331.72	8.19	-120.38
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CCCCC[C@H]3C(=O)[O-])=N2)=C1	REAL300004892731	0	47	-2.0	-133.26	376.95	7.92	-125.34
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])=N1	REAL300004892732	0	50	-2.0	-132.09	393.42	9.00	-123.09
CC1=C(CC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004892782	1	50	-2.0	-107.07	396.12	6.36	-100.71
O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004892826	0	37	-2.0	-96.54	313.72	6.62	-89.92
COC1=C(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300004892833	1	40	-2.0	-97.95	319.74	1.66	-96.29
O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004892926	0	37	-2.0	-97.22	309.36	6.07	-91.15
CCOC1=CC(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004892929	1	44	-2.0	-102.52	360.42	7.12	-95.40
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCCCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300004892937	0	48	-2.0	-127.75	381.66	6.57	-121.18
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])=CO1	REAL300004892951	1	41	-2.0	-96.08	343.39	1.79	-94.29
O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004893078	0	40	-2.0	-91.67	327.12	4.65	-87.02
O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004893078	1	40	-2.0	-91.65	327.19	4.66	-86.99
COCC1=NC=C(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])C(=O)[N-]1	REAL300004893324	1	42	-2.0	-115.47	331.71	3.35	-112.12
O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004893361	1	45	-2.0	-117.43	345.47	6.32	-111.11
O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004893588	0	37	-2.0	-107.94	323.95	8.15	-99.79
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])O1	REAL300004895193	1	44	-2.0	-101.91	354.19	2.78	-99.13
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])=CS1	REAL300004895659	1	51	-2.0	-104.29	395.93	7.19	-97.10
CC1=C(CC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004895842	1	53	-2.0	-110.56	405.88	7.33	-103.23
O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300004896731	1	40	-2.0	-111.78	308.08	6.22	-105.56
O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004896741	1	43	-2.0	-137.23	338.41	8.72	-128.51
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])C=N1	REAL300004896825	0	46	-2.0	-106.00	362.79	5.11	-100.89
O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300004896850	1	45	-2.0	-119.65	338.09	6.17	-113.48
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])=N2)=C1	REAL300004896899	0	56	-2.0	-132.47	422.33	10.16	-122.31
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300004896900	0	56	-2.0	-130.12	422.31	10.16	-119.96
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])=N1	REAL300004896966	0	50	-2.0	-125.66	389.89	9.26	-116.40
O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004896971	0	47	-2.0	-129.43	368.53	8.30	-121.13
O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004897000	1	45	-2.0	-131.40	341.89	9.24	-122.16
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])=N2)=C1	REAL300004897133	0	50	-2.0	-134.68	386.88	8.89	-125.79
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])=N1	REAL300004897134	0	53	-2.0	-131.97	396.24	10.04	-121.93
CC1=C(CC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004897192	1	53	-2.0	-108.47	406.06	7.33	-101.14
O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004897247	0	40	-2.0	-96.99	325.08	7.59	-89.40
COC1=C(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])NC(=O)[N-]C1=O	REAL300004897258	1	43	-2.0	-101.09	332.17	2.65	-98.44
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCCCCC[C@H]1C(=O)[O-]	REAL300004897332	0	43	-2.0	-113.50	325.40	5.01	-108.49
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCCCCC[C@H]1C(=O)[O-]	REAL300004897332	1	43	-2.0	-113.51	325.45	5.02	-108.49
O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300004897362	0	40	-2.0	-109.97	317.88	6.72	-103.25
CCOC1=CC(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004897366	1	47	-2.0	-102.92	368.40	8.55	-94.37
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])=N2)C=C1	REAL300004897372	0	51	-2.0	-130.86	391.99	7.64	-123.22
C[N-]S(=O)(=O)C1=CC(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])=CO1	REAL300004897387	1	44	-2.0	-118.44	353.86	1.94	-116.50
O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004897521	0	43	-2.0	-92.94	337.45	5.76	-87.18
O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004897521	1	43	-2.0	-92.91	337.52	5.76	-87.15
COCC1=NC=C(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])C(=O)[N-]1	REAL300004897777	1	45	-2.0	-118.85	340.19	3.76	-115.09
O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004897819	1	48	-2.0	-117.03	356.21	7.09	-109.94
O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004898057	0	40	-2.0	-109.89	332.38	9.08	-100.81
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)O1	REAL300004899682	1	35	-2.0	-88.24	347.46	2.33	-85.91
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=C2SC(C(=O)[O-])=CC2=C1	REAL300004899875	0	38	-2.0	-96.93	355.04	5.63	-91.30
CC1=C(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004900423	1	44	-2.0	-89.88	378.85	7.13	-82.75
COC1=CC=C(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)C([O-])=C1	REAL300004900883	1	35	-2.0	-104.46	321.58	7.32	-97.14
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C([O-])C(F)=C3)=CC=C2S1	REAL300004901436	1	31	-2.0	-90.58	300.85	6.55	-84.03
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C(F)(F)F)C=C3[O-])=CC=C2S1	REAL300004901449	1	34	-2.0	-96.40	330.87	9.00	-87.40
O=C([O-])C1=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2S1	REAL300004901505	0	31	-2.0	-88.39	298.38	4.63	-83.76
O=C([O-])C1=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2S1	REAL300004901505	1	31	-2.0	-88.38	298.44	4.64	-83.74
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)C=N1	REAL300004901586	0	37	-2.0	-92.49	356.09	4.66	-87.83
O=C([O-])C1=CC2=CC(NC(=O)C3=CN=C(C4CC4)[N-]C3=O)=CC=C2S1	REAL300004901617	1	36	-2.0	-88.64	333.82	6.06	-82.58
O=C([O-])C1=CC2=CC(NC(=O)C3=CN=CC([O-])=C3)=CC=C2S1	REAL300004901656	1	30	-2.0	-92.01	289.69	4.67	-87.34
O=C([O-])C1=CC2=CC(NC(=O)C3=NN(C4=CC=CC(F)=C4)C=C3[O-])=CC=C2S1	REAL300004901768	0	38	-2.0	-104.30	361.81	7.83	-96.47
O=C([O-])C1=CC2=CC(NC(=O)C3=C([O-])C4=CC=CC=C4C=N3)=CC=C2S1	REAL300004901815	0	36	-2.0	-104.31	334.97	8.64	-95.67
O=C([O-])C1=CC2=CC(NC(=O)C3=CC(F)=C([O-])C(Cl)=C3)=CC=C2S1	REAL300004902105	0	31	-2.0	-88.02	316.59	7.11	-80.91
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C2S1	REAL300004902221	0	34	-2.0	-96.38	319.88	5.41	-90.97
O=C([O-])C1=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C2S1	REAL300004902221	1	34	-2.0	-96.35	319.94	5.43	-90.92
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C([O-])C(Cl)=C3)=CC=C2S1	REAL300004902257	0	31	-2.0	-87.28	310.65	7.05	-80.23
CCOC1=CC(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)=CC(Cl)=C1[O-]	REAL300004902261	1	38	-2.0	-91.52	361.43	8.10	-83.42
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)=CO1	REAL300004902294	1	35	-2.0	-94.91	346.63	2.31	-92.60
O=C([O-])C1=CC2=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)N=C[N-]3)=CC=C2S1	REAL300004902383	0	39	-2.0	-92.09	359.05	10.99	-81.10
O=C([O-])C1=CC2=CC(NC(=O)C3=C(C(=O)C4=CC=CC=C4)[N-]C=N3)=CC=C2S1	REAL300004902383	1	39	-2.0	-92.09	359.00	11.02	-81.07
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=C2S1	REAL300004902456	0	34	-2.0	-84.23	330.14	5.22	-79.01
O=C([O-])C1=CC2=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=CC=C2S1	REAL300004902456	1	34	-2.0	-84.28	330.07	5.21	-79.07
O=C([O-])C1=CC2=CC(NC(=O)C3=C[N-]N=CC3=O)=CC=C2S1	REAL300004902736	0	29	-2.0	-80.44	281.89	5.11	-75.33
COCC1=NC=C(C(=O)NC2=CC=C3SC(C(=O)[O-])=CC3=C2)C(=O)[N-]1	REAL300004902769	1	36	-2.0	-88.32	335.94	3.75	-84.57
O=C([O-])C1=CC2=CC(NC(=O)C3=CN=C(C4CCC4)[N-]C3=O)=CC=C2S1	REAL300004902817	1	39	-2.0	-88.59	349.58	6.61	-81.98
O=C([O-])C1=CC2=CC(NC(=O)C3=CC(Cl)=CC(Cl)=C3[O-])=CC=C2S1	REAL300004903122	0	31	-2.0	-92.59	324.94	9.04	-83.55
COC1=C(NC(=O)CN2C(=S)[N-]N=C2C2=CC=C(C)C=C2)C=CC=C1C(=O)[O-]	REAL300004904499	1	44	-2.0	-105.21	389.51	10.13	-95.08
COC1=C(NC(=O)C2=CC=C(S(=O)(=O)[N-]C(C)(C)C)O2)C=CC=C1C(=O)[O-]	REAL300004904839	1	45	-2.0	-93.58	392.99	3.43	-90.15
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2OC)O1	REAL300004904840	1	36	-2.0	-93.16	337.53	1.02	-92.14
COC1=C(NC(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)C=CC=C1C(=O)[O-]	REAL300004905304	1	43	-2.0	-99.03	379.41	5.44	-93.59
COC1=C(NC(=O)CC2=C(C)N=C(C3=CC=CN=C3)[N-]C2=O)C=CC=C1C(=O)[O-]	REAL300004905490	1	45	-2.0	-103.36	389.33	5.59	-97.77
COC1=CC=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2OC)C([O-])=C1	REAL300004905937	1	36	-2.0	-106.67	311.98	6.00	-100.67
COC1=C(NC(=O)C2=CC=C([O-])C(F)=C2)C=CC=C1C(=O)[O-]	REAL300004906365	1	32	-2.0	-93.18	290.94	5.26	-87.92
COC1=C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C=CC=C1C(=O)[O-]	REAL300004906374	1	35	-2.0	-98.34	321.27	7.69	-90.65
COC1=C(NC(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)C=CC=C1C(=O)[O-]	REAL300004906458	0	38	-2.0	-96.58	346.26	3.35	-93.23
COC1=C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C=CC=C1C(=O)[O-]	REAL300004906483	1	37	-2.0	-97.91	322.93	4.78	-93.13
COC1=C(NC(=O)C2=NN(C3=CC=C(C(C)C)C=C3)C=C2[O-])C=CC=C1C(=O)[O-]	REAL300004906534	0	48	-2.0	-110.48	405.70	8.38	-102.10
COC1=C(NC(=O)C2=NN(C3=CC=C(F)C=C3C)C=C2[O-])C=CC=C1C(=O)[O-]	REAL300004906599	0	42	-2.0	-105.71	366.54	7.46	-98.25
COC1=C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)C=CC=C1C(=O)[O-]	REAL300004906631	0	37	-2.0	-110.29	325.05	7.32	-102.97
COC1=C(NC(=O)C2=NN(C3=CC(C)=CC=C3F)C=C2[O-])C=CC=C1C(=O)[O-]	REAL300004906763	0	42	-2.0	-114.39	370.27	7.11	-107.28
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(C(=O)[O-])=C2OC)=N1	REAL300004906764	0	45	-2.0	-111.73	379.90	8.25	-103.48
COC1=C(NC(=O)CC2=C(C)N=C(C3=CC=NC=C3)[N-]C2=O)C=CC=C1C(=O)[O-]	REAL300004906822	1	45	-2.0	-101.86	389.52	5.58	-96.28
COC1=C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300004906874	0	32	-2.0	-89.85	306.96	5.81	-84.04
COC1=C(NC(=O)CCCC2=N[N-]N=N2)C=CC=C1C(=O)[O-]	REAL300004906958	0	35	-2.0	-96.38	309.91	4.11	-92.27
COC1=C(NC(=O)CCCC2=NN=N[N-]2)C=CC=C1C(=O)[O-]	REAL300004906958	1	35	-2.0	-96.38	309.96	4.13	-92.25
COC1=C(NC(=O)C2=CC=C([O-])C(Cl)=C2)C=CC=C1C(=O)[O-]	REAL300004906987	0	32	-2.0	-89.99	300.75	5.74	-84.25
CCOC1=CC(C(=O)NC2=CC=CC(C(=O)[O-])=C2OC)=CC(Cl)=C1[O-]	REAL300004906991	1	39	-2.0	-93.94	351.78	6.79	-87.15
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(C(=O)[O-])=C3OC)=N2)C=C1	REAL300004906996	0	43	-2.0	-110.55	374.98	5.76	-104.79
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC=CC(C(=O)[O-])=C2OC)=CO1	REAL300004907011	1	36	-2.0	-94.08	336.71	0.99	-93.09
COC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=CC=C1C(=O)[O-]	REAL300004907148	0	35	-2.0	-87.26	320.51	3.91	-83.35
COC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=CC=C1C(=O)[O-]	REAL300004907148	1	35	-2.0	-87.27	320.46	3.89	-83.38
COCC1=NC=C(C(=O)NC2=CC=CC(C(=O)[O-])=C2OC)C(=O)[N-]1	REAL300004907402	1	37	-2.0	-97.30	325.86	2.42	-94.88
COC1=C(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C=CC=C1C(=O)[O-]	REAL300004907444	1	40	-2.0	-97.94	338.67	5.32	-92.62
COC1=C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C=CC=C1C(=O)[O-]	REAL300004907677	0	32	-2.0	-95.30	315.31	7.73	-87.57
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2CCOCC2)O1	REAL300004909601	1	42	-2.0	-89.38	359.36	-0.13	-89.51
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C2CCOCC2)=CS1	REAL300004910062	1	49	-2.0	-104.99	400.09	4.61	-100.38
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1CCOCC1	REAL300004911127	1	38	-2.0	-104.97	315.68	4.54	-100.43
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCOCC1	REAL300004911137	1	41	-2.0	-105.00	343.40	6.87	-98.13
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2CCOCC2)C=N1	REAL300004911224	0	44	-2.0	-96.72	367.98	2.22	-94.50
O=C([O-])CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCOCC1	REAL300004911247	1	43	-2.0	-109.32	345.49	3.95	-105.37
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2CCOCC2)=N1	REAL300004911363	0	48	-2.0	-117.99	394.40	6.66	-111.33
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCOCC1	REAL300004911368	0	45	-2.0	-119.61	373.28	5.32	-114.29
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCOCC1	REAL300004911397	1	43	-2.0	-134.41	349.06	6.59	-127.82
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCOCC3)=N2)=C1	REAL300004911531	0	48	-2.0	-127.33	391.03	6.31	-121.02
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2CCOCC2)=N1	REAL300004911532	0	51	-2.0	-125.47	409.28	7.33	-118.14
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCOCC1	REAL300004911643	0	38	-2.0	-91.46	328.58	4.65	-86.81
COC1=C(C(=O)NC(CC(=O)[O-])C2CCOCC2)NC(=O)[N-]C1=O	REAL300004911654	1	41	-2.0	-100.78	336.79	0.11	-100.67
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL300004911728	0	41	-2.0	-109.16	334.60	3.38	-105.78
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL300004911728	1	41	-2.0	-109.13	334.66	3.40	-105.73
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCOCC1	REAL300004911759	0	38	-2.0	-102.78	325.47	5.03	-97.75
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2CCOCC2)=CC(Cl)=C1[O-]	REAL300004911763	1	45	-2.0	-95.96	373.42	5.64	-90.32
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCOCC3)=N2)C=C1	REAL300004911769	0	49	-2.0	-136.33	400.85	4.90	-131.43
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2CCOCC2)=CO1	REAL300004911784	1	42	-2.0	-103.77	360.71	0.17	-103.60
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300004911918	0	41	-2.0	-93.23	344.46	3.09	-90.14
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300004911918	1	41	-2.0	-93.23	344.53	3.10	-90.13
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2CCOCC2)C(=O)[N-]1	REAL300004912171	1	43	-2.0	-107.83	347.33	1.57	-106.26
O=C([O-])CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCOCC1	REAL300004912214	1	46	-2.0	-109.54	361.24	4.50	-105.04
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCOCC1	REAL300004912452	0	38	-2.0	-102.62	337.40	6.91	-95.71
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2CCCCC2)O1	REAL300004914078	1	44	-2.0	-99.93	368.18	2.60	-97.33
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C2CCCCC2)=CS1	REAL300004914544	1	51	-2.0	-120.01	413.67	6.88	-113.13
CC1=C(CC(=O)NC(CC(=O)[O-])C2CCCCC2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004914727	1	53	-2.0	-133.33	423.59	7.01	-126.32
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1CCCCC1	REAL300004915616	1	40	-2.0	-95.80	322.14	6.42	-89.38
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCCC1	REAL300004915626	1	43	-2.0	-122.82	355.74	9.19	-113.63
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2CCCCC2)C=N1	REAL300004915710	0	46	-2.0	-98.13	377.38	4.53	-93.60
O=C([O-])CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCCC1	REAL300004915735	1	45	-2.0	-114.50	354.18	6.87	-107.63
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCCCC3)=N2)=C1	REAL300004915784	0	56	-2.0	-140.72	437.34	10.31	-130.41
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCCCC3)=N2)C=C1	REAL300004915785	0	56	-2.0	-123.72	436.57	9.62	-114.10
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2CCCCC2)=N1	REAL300004915851	0	50	-2.0	-135.16	404.26	9.46	-125.70
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCCC1	REAL300004915856	0	47	-2.0	-136.27	383.50	8.45	-127.82
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCCC1	REAL300004915885	1	45	-2.0	-135.14	358.23	8.98	-126.16
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCCCC3)=N2)=C1	REAL300004916018	0	50	-2.0	-128.98	400.67	8.28	-120.70
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2CCCCC2)=N1	REAL300004916019	0	53	-2.0	-141.48	411.22	10.23	-131.25
CC1=C(CC(=O)NC(CC(=O)[O-])C2CCCCC2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004916077	1	53	-2.0	-132.03	423.78	7.01	-125.02
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCCC1	REAL300004916132	0	40	-2.0	-93.40	337.57	7.41	-85.99
COC1=C(C(=O)NC(CC(=O)[O-])C2CCCCC2)NC(=O)[N-]C1=O	REAL300004916143	1	43	-2.0	-103.10	347.05	2.36	-100.74
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300004916217	0	43	-2.0	-105.52	340.28	5.25	-100.27
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300004916217	1	43	-2.0	-105.54	340.34	5.28	-100.26
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCCCC1	REAL300004916247	0	40	-2.0	-93.50	331.94	6.92	-86.58
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2CCCCC2)=CC(Cl)=C1[O-]	REAL300004916251	1	47	-2.0	-98.08	382.19	7.95	-90.13
COC1=CC=C(N2C=C([O-])C(C(=O)NC(CC(=O)[O-])C3CCCCC3)=N2)C=C1	REAL300004916257	0	51	-2.0	-123.57	405.85	7.00	-116.57
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2CCCCC2)=CO1	REAL300004916272	1	44	-2.0	-94.70	367.33	2.58	-92.12
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300004916406	0	43	-2.0	-92.78	353.62	5.46	-87.32
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300004916406	1	43	-2.0	-92.77	353.69	5.48	-87.29
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2CCCCC2)C(=O)[N-]1	REAL300004916662	1	45	-2.0	-113.75	356.02	4.52	-109.23
O=C([O-])CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCCCC1	REAL300004916704	1	48	-2.0	-114.75	369.93	7.42	-107.33
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCCC1	REAL300004916942	0	40	-2.0	-109.15	346.53	8.99	-100.16
CC#CCC(NC(=O)CCC1=C(C)N=C(N2CCOCC2)[N-]C1=O)C(=O)[O-]	REAL300004917669	1	49	-2.0	-105.89	411.12	6.82	-99.07
CC#CCC(NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004918015	0	39	-2.0	-116.24	353.28	4.66	-111.58
CC#CCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CC)C(=O)[O-]	REAL300004918319	0	39	-2.0	-117.15	353.60	4.81	-112.34
CC#CCC(NC(=O)CN1C(=S)[N-]N=C1C1=CC=C(C)C=C1)C(=O)[O-]	REAL300004918365	1	41	-2.0	-127.87	374.57	9.68	-118.19
CC#CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300004918547	1	43	-2.0	-107.30	392.69	6.80	-100.50
CC#CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)C(=O)[O-]	REAL300004918548	1	43	-2.0	-111.92	392.86	6.80	-105.12
CC#CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C(F)(F)F)C(C)=C1)C(=O)[O-]	REAL300004918561	0	39	-2.0	-91.58	373.87	5.06	-86.52
CC#CCC(NC(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)C(=O)[O-]	REAL300004918789	0	40	-2.0	-108.23	384.61	5.81	-102.42
CC#CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C(C)(C)C)O1)C(=O)[O-]	REAL300004918808	1	42	-2.0	-97.69	378.49	3.09	-94.60
CC#CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C)O1)C(=O)[O-]	REAL300004918809	1	33	-2.0	-96.29	323.73	0.64	-95.65
CC#CCC(NC(=O)C1=CC(NC(C)=O)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004919046	0	43	-2.0	-122.09	387.92	2.82	-119.27
CC#CCC(NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004919091	0	36	-2.0	-115.38	331.30	3.96	-111.42
CC#CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1)C(=O)[O-]	REAL300004919099	0	40	-2.0	-110.15	384.55	5.88	-104.27
CC#CCC(NC(=O)CC1=CSC([N-]C(=O)C(C)C)=N1)C(=O)[O-]	REAL300004919442	1	40	-2.0	-110.86	366.32	5.01	-105.85
CC#CCC(NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004919647	0	36	-2.0	-107.98	338.30	4.04	-103.94
CC#CCC(NC(=O)CC1=C(C)N=C(C2=CC=CN=C2)[N-]C1=O)C(=O)[O-]	REAL300004919654	1	42	-2.0	-115.38	376.34	5.25	-110.13
CC#CCC(NC(=O)C1=CC=CC=C1[N-]S(=O)(=O)CCC)C(=O)[O-]	REAL300004919659	0	42	-2.0	-117.70	374.26	5.65	-112.05
CC#CCC(NC(=O)C1=C(C)N=C(C(C)(C)C)[N-]C1=O)C(=O)[O-]	REAL300004919717	1	42	-2.0	-112.88	356.29	5.39	-107.49
CC#CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300004919817	1	43	-2.0	-99.92	392.85	6.79	-93.13
CC#CCC(NC(=O)C1=CC2=CC=CC=C2C=C1[N-]S(C)(=O)=O)C(=O)[O-]	REAL300004920342	0	42	-2.0	-120.26	378.02	6.18	-114.08
CC#CCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004920501	1	32	-2.0	-117.81	308.28	7.37	-110.44
CC#CCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C(=O)[O-]	REAL300004920586	0	35	-2.0	-103.86	333.18	2.94	-100.92
CC#CCC(NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)C(=O)[O-]	REAL300004920647	1	42	-2.0	-96.11	387.89	5.02	-91.09
CC#CCC(NC(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-])C(=O)[O-]	REAL300004920662	0	45	-2.0	-133.18	392.53	8.04	-125.14
CC#CCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C(=O)[O-]	REAL300004920663	0	45	-2.0	-131.36	392.47	8.05	-123.31
CC#CCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C(=O)[O-]	REAL300004920730	0	39	-2.0	-127.99	360.25	7.07	-120.92
CC#CCC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C(=O)[O-]	REAL300004920734	0	36	-2.0	-128.59	338.93	6.12	-122.47
CC#CCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C(=O)[O-]	REAL300004920770	0	36	-2.0	-95.69	353.57	4.26	-91.43
CC#CCC(NC(=O)C1=CN=C(I)C([O-])=C1)C(=O)[O-]	REAL300004920806	0	28	-2.0	-99.19	293.64	3.95	-95.24
CC#CCC(NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C(=O)[O-]	REAL300004920855	0	39	-2.0	-135.88	357.27	6.71	-129.17
CC#CCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C(=O)[O-]	REAL300004920856	0	42	-2.0	-134.64	373.78	7.80	-126.84
CC#CCC(NC(=O)CC1=C(C)N=C(C2=CC=NC=C2)[N-]C1=O)C(=O)[O-]	REAL300004920895	1	42	-2.0	-113.87	376.45	5.15	-108.72
CC#CCC(NC(=O)C1=CC(Cl)=C([O-])C(OCC)=C1)C(=O)[O-]	REAL300004920998	1	36	-2.0	-101.97	338.79	6.38	-95.59
CC#CCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C(=O)[O-]	REAL300004921002	0	39	-2.0	-137.23	362.17	7.56	-129.67
CC#CCC(NC(=O)C1=NN(C2=CC=C(OC)C=C2)C=C1[O-])C(=O)[O-]	REAL300004921009	0	40	-2.0	-131.02	361.99	5.35	-125.67
CC#CCC(NC(=O)C1=COC(S(=O)(=O)[N-]C)=C1)C(=O)[O-]	REAL300004921026	1	33	-2.0	-102.01	323.71	0.58	-101.43
CC#CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL300004921143	0	32	-2.0	-90.39	306.65	3.53	-86.86
CC#CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL300004921143	1	32	-2.0	-90.39	306.72	3.53	-86.86
CC#CCC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C(=O)[O-]	REAL300004921393	1	37	-2.0	-111.18	326.44	4.97	-106.21
CC#CCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C(=O)[O-]	REAL300004921590	0	29	-2.0	-113.87	302.34	7.40	-106.47
CC#CCC(NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C(=O)[O-]	REAL300004921804	0	37	-2.0	-115.50	336.52	4.47	-111.03
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2CCCCCC2)O1	REAL300004923907	1	47	-2.0	-100.75	383.15	2.94	-97.81
CC(C)C(=O)[N-]C1=NC(CC(=O)NC(CC(=O)[O-])C2CCCCCC2)=CS1	REAL300004924326	1	54	-2.0	-109.75	424.89	7.36	-102.39
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1CCCCCC1	REAL300004925374	1	43	-2.0	-96.78	334.65	6.84	-89.94
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1CCCCCC1	REAL300004925385	1	46	-2.0	-114.86	364.98	9.35	-105.51
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1CCCCCC1	REAL300004925420	0	43	-2.0	-94.88	333.09	4.79	-90.09
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1CCCCCC1	REAL300004925420	1	43	-2.0	-94.83	333.14	4.81	-90.02
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2CCCCCC2)C=N1	REAL300004925486	0	49	-2.0	-103.33	388.60	5.57	-97.76
O=C([O-])CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCCCCC1	REAL300004925511	1	48	-2.0	-101.33	366.98	6.32	-95.01
O=C([O-])CC(NC(=O)C1=CN=CC([O-])=C1)C1CCCCCC1	REAL300004925546	1	42	-2.0	-96.84	322.20	5.57	-91.27
O=C([O-])CC(NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1CCCCCC1	REAL300004925628	0	50	-2.0	-120.33	393.01	8.63	-111.70
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCCCCC1	REAL300004925659	1	48	-2.0	-126.68	368.79	8.97	-117.71
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(=O)[O-])C2CCCCCC2)=N1	REAL300004925789	0	56	-2.0	-127.41	427.47	10.33	-117.08
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCCCCC1	REAL300004925896	0	43	-2.0	-94.19	350.67	7.38	-86.81
COC1=C(C(=O)NC(CC(=O)[O-])C2CCCCCC2)NC(=O)[N-]C1=O	REAL300004925908	1	46	-2.0	-102.67	356.47	2.88	-99.79
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCCCC1	REAL300004925985	0	46	-2.0	-95.16	351.74	6.23	-88.93
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCCCC1	REAL300004925985	1	46	-2.0	-95.13	351.80	6.25	-88.88
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCCCCC1	REAL300004926017	0	43	-2.0	-94.49	344.45	7.32	-87.17
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2CCCCCC2)=CC(Cl)=C1[O-]	REAL300004926020	1	50	-2.0	-98.69	395.51	8.36	-90.33
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2CCCCCC2)=CO1	REAL300004926040	1	47	-2.0	-102.43	380.42	2.56	-99.87
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCCC1	REAL300004926179	0	46	-2.0	-89.14	361.21	5.95	-83.19
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCCC1	REAL300004926179	1	46	-2.0	-89.15	361.28	5.95	-83.20
O=C([O-])CC(NC(=O)C1=C[N-]N=CC1=O)C1CCCCCC1	REAL300004926406	0	41	-2.0	-100.88	312.92	5.89	-94.99
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2CCCCCC2)C(=O)[N-]1	REAL300004926429	1	48	-2.0	-100.35	369.07	3.91	-96.44
O=C([O-])CC(NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CCCCCC1	REAL300004926471	1	51	-2.0	-115.82	379.11	7.93	-107.89
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1CCCCCC1	REAL300004926712	0	43	-2.0	-103.32	357.77	10.02	-93.30
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=CC=C(C(=O)[O-])C=C3)CC2)O1	REAL300004928657	1	45	-2.0	-96.57	387.22	4.43	-92.14
CC1=C(C(=O)N2CCC(C3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004929280	1	54	-2.0	-109.76	430.19	8.83	-100.93
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)C=C1	REAL300004930180	1	41	-2.0	-97.97	342.40	8.40	-89.57
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=CC=C(C(F)(F)F)C=C3[O-])CC2)C=C1	REAL300004930194	1	44	-2.0	-107.53	375.67	10.22	-97.31
O=C([O-])C1=CC=C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300004930255	0	41	-2.0	-94.48	341.15	6.86	-87.62
O=C([O-])C1=CC=C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300004930255	1	41	-2.0	-94.46	341.21	6.87	-87.59
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2)C=C1	REAL300004930349	1	46	-2.0	-108.00	382.96	7.91	-100.09
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)C=C1	REAL300004930376	1	40	-2.0	-101.20	331.99	6.45	-94.75
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC2)C=C1	REAL300004930517	1	46	-2.0	-111.91	374.87	11.36	-100.55
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC2)C=C1	REAL300004930791	0	41	-2.0	-95.41	358.42	8.95	-86.46
COC1=C(C(=O)N2CCC(C3=CC=C(C(=O)[O-])C=C3)CC2)NC(=O)[N-]C1=O	REAL300004930810	1	44	-2.0	-99.34	371.92	2.95	-96.39
O=C([O-])C1=CC=C(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300004930901	0	44	-2.0	-101.42	362.65	7.64	-93.78
O=C([O-])C1=CC=C(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300004930901	1	44	-2.0	-101.42	362.71	7.66	-93.76
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2)C=C1	REAL300004930933	0	41	-2.0	-94.73	352.63	8.92	-85.81
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C3=CC=C(C(=O)[O-])C=C3)CC2)=CO1	REAL300004930963	1	45	-2.0	-102.66	386.72	4.30	-98.36
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1	REAL300004931104	0	44	-2.0	-89.95	370.36	7.88	-82.07
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1	REAL300004931104	1	44	-2.0	-89.92	370.42	7.90	-82.02
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)C=C1	REAL300004931349	0	39	-2.0	-96.40	330.76	6.90	-89.50
COCC1=NC=C(C(=O)N2CCC(C3=CC=C(C(=O)[O-])C=C3)CC2)C(=O)[N-]1	REAL300004931381	1	46	-2.0	-93.47	377.20	5.36	-88.11
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC2)C=C1	REAL300004931422	1	49	-2.0	-94.60	393.51	8.37	-86.23
O=C([O-])C1=CC=C(C2CCN(C(=O)C3=CC(Cl)=CC(Cl)=C3[O-])CC2)C=C1	REAL300004931696	0	41	-2.0	-102.77	371.31	9.80	-92.97
O=C([O-])C1CN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)CC12CCCCC2	REAL300004932914	0	45	-2.0	-106.03	349.36	9.08	-96.95
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CC(C(=O)[O-])C3(C2)CCCCC3)=C1	REAL300004933103	0	51	-2.0	-99.57	395.70	6.34	-93.23
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])C2(C1)CCCCC2	REAL300004933358	0	51	-2.0	-104.20	396.95	6.62	-97.58
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCCCC3)O1	REAL300004933754	1	45	-2.0	-101.03	365.87	2.94	-98.09
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CC(C(=O)[O-])C2(C1)CCCCC2	REAL300004933984	0	48	-2.0	-102.71	375.48	5.72	-96.99
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CC(C(=O)[O-])C3(C2)CCCCC3)=CS1	REAL300004934303	1	52	-2.0	-95.57	410.81	7.32	-88.25
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CC(C(=O)[O-])C2(C1)CCCCC2	REAL300004934508	0	48	-2.0	-96.48	381.28	5.76	-90.72
CC1=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCCCC3)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004934597	1	54	-2.0	-107.33	409.94	7.14	-100.19
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(F)=C2)CC12CCCCC2	REAL300004935638	1	41	-2.0	-90.41	319.32	6.69	-83.72
O=C([O-])C1CN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC12CCCCC2	REAL300004935651	1	44	-2.0	-103.59	351.55	9.01	-94.58
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)CC12CCCCC2	REAL300004935692	0	41	-2.0	-89.24	319.91	5.23	-84.01
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)CC12CCCCC2	REAL300004935692	1	41	-2.0	-89.22	319.97	5.24	-83.98
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCCCC3)C=N1	REAL300004935779	0	47	-2.0	-102.11	375.50	4.78	-97.33
O=C([O-])C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC12CCCCC2	REAL300004935814	1	46	-2.0	-102.58	362.05	6.25	-96.33
O=C([O-])C1CN(C(=O)C2=CN=CC([O-])=C2)CC12CCCCC2	REAL300004935856	1	40	-2.0	-98.52	305.81	4.75	-93.77
O=C([O-])C1CN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC12CCCCC2	REAL300004935970	0	48	-2.0	-110.11	378.51	8.60	-101.51
O=C([O-])C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC12CCCCC2	REAL300004936016	1	46	-2.0	-114.45	353.29	9.72	-104.73
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CC(C(=O)[O-])C3(C2)CCCCC3)=N1	REAL300004936183	0	54	-2.0	-117.07	415.64	10.23	-106.84
O=C([O-])C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC12CCCCC2	REAL300004936318	0	41	-2.0	-91.83	334.81	7.26	-84.57
COC1=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCCCC3)NC(=O)[N-]C1=O	REAL300004936336	1	44	-2.0	-94.19	342.68	2.74	-91.45
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CC12CCCCC2	REAL300004936436	0	44	-2.0	-90.96	341.38	5.98	-84.98
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CC12CCCCC2	REAL300004936436	1	44	-2.0	-90.99	341.43	5.99	-85.00
O=C([O-])C1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC12CCCCC2	REAL300004936476	0	41	-2.0	-87.95	329.12	7.17	-80.78
CCOC1=CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCCCC3)=CC(Cl)=C1[O-]	REAL300004936479	1	48	-2.0	-96.93	379.65	8.23	-88.70
COC1=CC=C(N2C=C([O-])C(C(=O)N3CC(C(=O)[O-])C4(C3)CCCCC4)=N2)C=C1	REAL300004936488	0	52	-2.0	-115.43	403.27	7.89	-107.54
C[N-]S(=O)(=O)C1=CC(C(=O)N2CC(C(=O)[O-])C3(C2)CCCCC3)=CO1	REAL300004936512	1	45	-2.0	-98.39	363.29	2.54	-95.85
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCCCC2	REAL300004936680	0	44	-2.0	-89.51	348.71	6.18	-83.33
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCCCC2	REAL300004936680	1	44	-2.0	-89.44	348.78	6.20	-83.24
O=C([O-])C1CN(C(=O)C2=C[N-]N=CC2=O)CC12CCCCC2	REAL300004936973	0	39	-2.0	-93.93	309.91	5.31	-88.62
COCC1=NC=C(C(=O)N2CC(C(=O)[O-])C3(C2)CCCCC3)C(=O)[N-]1	REAL300004937008	1	46	-2.0	-101.42	363.91	3.90	-97.52
O=C([O-])C1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC12CCCCC2	REAL300004937058	1	49	-2.0	-109.27	369.60	6.67	-102.60
O=C([O-])C1CN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC12CCCCC2	REAL300004937378	0	41	-2.0	-100.06	345.64	9.05	-91.01
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=C1	REAL300004939272	0	53	-2.0	-107.45	404.99	6.57	-100.88
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC(C)C)(C(=O)[O-])CC1	REAL300004939509	0	53	-2.0	-109.18	402.72	6.67	-102.51
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)O1	REAL300004939885	1	47	-2.0	-96.00	369.53	2.78	-93.22
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2[N-]S(C)(=O)=O)CC1	REAL300004940094	0	50	-2.0	-107.64	381.26	5.77	-101.87
CC(C)CC1(C(=O)[O-])CCN(C(=O)CC2=CSC([N-]C(=O)C(C)C)=N2)CC1	REAL300004940402	1	54	-2.0	-100.02	412.53	7.22	-92.80
CC1=C(C(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004940676	1	56	-2.0	-114.16	412.27	6.96	-107.20
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300004941670	1	43	-2.0	-93.77	324.48	6.83	-86.94
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300004941683	1	46	-2.0	-108.14	357.36	8.72	-99.42
CC(C)CC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300004941725	0	43	-2.0	-91.24	325.04	5.30	-85.94
CC(C)CC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300004941725	1	43	-2.0	-91.27	325.10	5.32	-85.95
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CC=C([N-]S(C)(=O)=O)N=C2)CC1	REAL300004941808	0	49	-2.0	-99.67	378.61	4.79	-94.88
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300004941843	1	48	-2.0	-98.58	366.64	6.35	-92.23
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300004941884	1	42	-2.0	-92.90	313.31	4.86	-88.04
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300004942037	1	48	-2.0	-113.94	354.18	9.56	-104.38
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=N1	REAL300004942189	0	56	-2.0	-113.12	425.01	9.88	-103.24
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300004942318	0	43	-2.0	-92.78	342.14	7.38	-85.40
CC(C)CC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300004942429	0	46	-2.0	-97.43	346.53	6.10	-91.33
CC(C)CC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300004942429	1	46	-2.0	-97.40	346.58	6.11	-91.29
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300004942464	0	43	-2.0	-90.95	334.28	7.33	-83.62
CCOC1=CC(C(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300004942467	1	50	-2.0	-97.08	386.99	8.36	-88.72
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)=CO1	REAL300004942498	1	47	-2.0	-90.52	369.97	2.73	-87.79
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300004942660	0	46	-2.0	-87.50	353.14	6.23	-81.27
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300004942660	1	46	-2.0	-87.54	353.21	6.24	-81.30
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300004942945	0	41	-2.0	-89.51	315.06	5.40	-84.11
COCC1=NC=C(C(=O)N2CCC(CC(C)C)(C(=O)[O-])CC2)C(=O)[N-]1	REAL300004942978	1	48	-2.0	-95.50	361.51	3.82	-91.68
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300004943027	1	51	-2.0	-98.30	382.49	6.90	-91.40
CC(C)CC1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300004943336	0	43	-2.0	-96.06	347.74	8.95	-87.11
CC1=C(CCC(=O)N2CCC[C@]2(C)C(=O)[O-])C(=O)[N-]C(N2CCOCC2)=N1	REAL300004945668	1	51	-2.0	-112.68	399.81	7.85	-104.83
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC[C@]2(C)C(=O)[O-])C=C1	REAL300004946197	1	43	-2.0	-138.54	364.07	10.78	-127.76
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300004946344	1	45	-2.0	-116.54	377.35	7.58	-108.96
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300004946345	1	45	-2.0	-119.40	377.10	7.29	-112.11
CC1=CC(C(=O)N2CCC[C@]2(C)C(=O)[O-])=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300004946356	0	41	-2.0	-97.57	359.16	5.45	-92.12
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300004946540	0	42	-2.0	-114.62	369.30	6.58	-108.04
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@]2(C)C(=O)[O-])O1	REAL300004946557	1	44	-2.0	-101.32	365.50	4.16	-97.16
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC[C@]2(C)C(=O)[O-])O1	REAL300004946558	1	35	-2.0	-99.77	310.09	1.75	-98.02
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300004946786	0	42	-2.0	-112.08	369.86	6.26	-105.82
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC[C@]2(C)C(=O)[O-])=CS1	REAL300004947040	1	42	-2.0	-125.73	354.78	6.08	-119.65
CC1=C(CC(=O)N2CCC[C@]2(C)C(=O)[O-])C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004947212	1	44	-2.0	-137.81	364.75	6.26	-131.55
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300004947341	1	45	-2.0	-105.74	377.01	7.31	-98.43
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300004947873	1	34	-2.0	-122.79	295.47	7.50	-115.29
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300004947939	0	37	-2.0	-109.79	318.23	3.36	-106.43
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300004947984	1	44	-2.0	-102.23	372.55	5.81	-96.42
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@]3(C)C(=O)[O-])=N2)=C1	REAL300004947998	0	47	-2.0	-142.71	378.20	9.36	-133.35
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@]3(C)C(=O)[O-])=N2)C=C1	REAL300004947999	0	47	-2.0	-141.65	378.19	9.37	-132.28
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300004948046	0	41	-2.0	-138.84	344.69	8.28	-130.56
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300004948050	0	38	-2.0	-139.57	324.40	7.51	-132.06
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300004948065	1	36	-2.0	-143.27	297.17	8.24	-135.03
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300004948081	0	38	-2.0	-97.56	339.07	5.01	-92.55
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CN=C(I)C([O-])=C1	REAL300004948111	0	30	-2.0	-106.25	278.25	4.69	-101.56
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@]3(C)C(=O)[O-])=N2)=C1	REAL300004948143	0	41	-2.0	-146.78	342.73	8.10	-138.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@]2(C)C(=O)[O-])=N1	REAL300004948144	0	44	-2.0	-145.39	359.31	9.01	-136.38
CC1=C(CC(=O)N2CCC[C@]2(C)C(=O)[O-])C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004948169	1	44	-2.0	-136.49	364.94	6.26	-130.23
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300004948194	0	31	-2.0	-102.99	278.99	5.88	-97.11
CCOC1=CC(C(=O)N2CCC[C@]2(C)C(=O)[O-])=CC(Cl)=C1[O-]	REAL300004948252	1	38	-2.0	-108.34	323.84	6.86	-101.48
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300004948255	0	41	-2.0	-141.00	353.09	8.16	-132.84
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC[C@]3(C)C(=O)[O-])=N2)C=C1	REAL300004948259	0	42	-2.0	-141.26	347.50	6.74	-134.52
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC[C@]2(C)C(=O)[O-])=CO1	REAL300004948269	1	35	-2.0	-109.64	306.99	1.44	-108.20
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300004948363	0	34	-2.0	-95.83	292.60	5.06	-90.77
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300004948363	1	34	-2.0	-95.80	292.66	5.06	-90.74
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300004948562	1	39	-2.0	-117.80	322.10	5.47	-112.33
C[C@]1(C(=O)[O-])CCCN1C(=O)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300004948715	0	31	-2.0	-117.89	289.82	7.48	-110.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C(Cl)C=C3)CCCC2)CC1	REAL300004949133	0	46	-2.0	-126.32	360.33	10.92	-115.40
CS(=O)(=O)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949134	0	42	-2.0	-135.83	357.86	5.38	-130.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3C=CC=N3)C=C2)CC1	REAL300004949135	0	40	-2.0	-126.11	330.44	8.39	-117.72
CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949136	0	40	-2.0	-122.29	324.19	7.43	-114.86
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300004949137	0	39	-2.0	-120.72	336.20	9.20	-111.52
CC1=CC(Cl)=CC=C1OCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949138	0	40	-2.0	-119.64	342.85	9.31	-110.33
CC(OC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949139	0	40	-2.0	-120.40	320.01	8.42	-111.98
COC1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949140	0	40	-2.0	-123.17	326.64	7.47	-115.70
COC1=CC=C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949141	0	41	-2.0	-122.85	336.05	7.42	-115.43
CC1=CC=CC(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949142	0	40	-2.0	-123.16	327.96	8.81	-114.35
COC1=CC=CC=C1OCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949143	0	41	-2.0	-127.36	335.80	7.89	-119.47
N#CC1=CC=C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949144	0	38	-2.0	-123.05	327.37	8.54	-114.51
CCOC1=CC=CC=C1OCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949145	0	44	-2.0	-126.14	357.16	8.76	-117.38
CC1=CC(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Cl	REAL300004949146	0	40	-2.0	-121.27	342.00	9.25	-112.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCOC2=CC=CC=C2)CC1	REAL300004949147	0	43	-2.0	-124.19	349.00	8.61	-115.58
COC1=CC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1OC(F)F	REAL300004949148	0	45	-2.0	-126.78	374.84	8.23	-118.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC=C3O2)CC1	REAL300004949149	0	36	-2.0	-125.70	301.15	7.84	-117.86
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(Br)S2)CC1	REAL300004949150	0	30	-2.0	-117.38	283.94	6.87	-110.51
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1OC(F)F	REAL300004949151	0	41	-2.0	-123.43	341.25	6.68	-116.75
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)CC1	REAL300004949152	0	47	-2.0	-123.79	384.10	10.49	-113.30
CCOC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949153	0	43	-2.0	-121.76	348.50	8.40	-113.36
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC(=O)C2=CC=CC=C2)CC1	REAL300004949154	0	41	-2.0	-123.90	339.26	8.85	-115.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC=C2Cl)CC1	REAL300004949155	0	36	-2.0	-123.72	311.87	8.65	-115.07
CC1=CC=C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949156	0	40	-2.0	-122.87	327.96	8.81	-114.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC(F)=C2)CC1	REAL300004949157	0	33	-2.0	-117.55	286.31	7.36	-110.19
COC1=CC=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949158	0	40	-2.0	-125.32	325.95	7.58	-117.74
COC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004949159	0	47	-2.0	-123.94	377.79	8.22	-115.72
COC1=CC=CC=C1CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949160	0	43	-2.0	-123.38	347.34	8.39	-114.99
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=COC3=CC4=C(C=C23)CCC4)CC1	REAL300004949161	0	46	-2.0	-127.03	371.08	10.49	-116.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2OC(F)F)CC1	REAL300004949162	0	37	-2.0	-125.61	312.24	7.03	-118.58
CCOC1=C(Cl)C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004949163	0	44	-2.0	-119.23	373.40	8.00	-111.23
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(Cl)=C1OC	REAL300004949164	0	41	-2.0	-119.36	351.54	7.05	-112.31
CS(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949165	0	39	-2.0	-126.56	326.19	6.18	-120.38
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=C(F)C=C2)CC1	REAL300004949166	0	37	-2.0	-121.20	312.97	8.20	-113.00
CC1=CC=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949167	0	39	-2.0	-122.49	314.79	8.76	-113.73
CC(C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949168	0	45	-2.0	-122.77	354.02	9.88	-112.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=CC=C2F)CC1	REAL300004949169	0	39	-2.0	-123.49	324.60	9.06	-114.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC=C3S2)CC1	REAL300004949170	0	36	-2.0	-124.33	305.29	8.39	-115.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=CC=C3)=CS2)CC1	REAL300004949171	0	40	-2.0	-121.90	333.81	9.47	-112.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C(Cl)C=C2Cl)CC1	REAL300004949172	0	33	-2.0	-117.17	310.93	8.26	-108.91
COC1=CC=C(C)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949173	0	40	-2.0	-128.31	323.91	7.39	-120.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC=C2Br)CC1	REAL300004949174	0	33	-2.0	-122.54	294.13	7.81	-114.73
COC1=CC=C(C2=NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)C=C1	REAL300004949175	0	43	-2.0	-132.74	366.21	8.12	-124.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(Cl)C=C2F)CC1	REAL300004949176	0	33	-2.0	-119.37	295.77	7.72	-111.65
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300004949177	0	36	-2.0	-122.27	300.18	7.94	-114.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2COC3=CC=CC=C3C2)CC1	REAL300004949178	0	41	-2.0	-119.97	328.01	7.93	-112.04
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004949179	0	36	-2.0	-119.19	299.89	3.93	-115.26
COC1=CC(C#N)=CC=C1OCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949180	0	42	-2.0	-124.75	356.09	8.24	-116.51
CC1=NN(C)C2=C1C=C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)S2	REAL300004949181	0	39	-2.0	-120.50	334.74	6.87	-113.63
CN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2C1=O	REAL300004949182	0	41	-2.0	-123.63	334.96	7.15	-116.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3CCCC3=O)C=C2)CC1	REAL300004949183	0	44	-2.0	-127.76	347.51	8.25	-119.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(Br)O2)CC1	REAL300004949184	0	30	-2.0	-120.80	276.07	6.28	-114.52
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=C(F)C=CC=C2Cl)CC1	REAL300004949185	0	36	-2.0	-124.65	317.00	8.66	-115.99
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(Cl)=C2Cl)CC1	REAL300004949186	0	33	-2.0	-122.26	303.55	8.16	-114.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC=C2Cl)CC1	REAL300004949187	0	33	-2.0	-121.58	305.09	8.20	-113.38
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(F)C=CC=C2F)CC1	REAL300004949188	0	33	-2.0	-127.62	289.27	7.41	-120.21
COC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1OC	REAL300004949189	0	41	-2.0	-126.74	336.66	6.86	-119.88
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(OC)=C1	REAL300004949190	0	41	-2.0	-125.69	331.86	5.80	-119.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2Cl)CC1	REAL300004949191	0	33	-2.0	-124.22	288.17	7.69	-116.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2C(F)(F)F)CC1	REAL300004949192	0	36	-2.0	-126.27	306.60	8.14	-118.13
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949193	0	37	-2.0	-120.73	300.59	6.43	-114.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(Cl)C=C2Cl)CC1	REAL300004949194	0	33	-2.0	-118.06	304.45	8.13	-109.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(OC(F)F)=C2)CC1	REAL300004949195	0	37	-2.0	-123.69	312.10	6.78	-116.91
COC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949196	0	40	-2.0	-121.81	326.64	7.47	-114.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=CC(Br)=C2)CC1	REAL300004949197	0	37	-2.0	-120.64	327.35	8.71	-111.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(Cl)C=CC=C2Cl)CC1	REAL300004949198	0	33	-2.0	-124.70	308.24	8.18	-116.52
COC1=CC=CC(OC)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949199	0	41	-2.0	-131.52	335.11	6.01	-125.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=C(Cl)C=C2)CC1	REAL300004949200	0	37	-2.0	-121.05	323.28	8.65	-112.40
COC1=CC=CC=C1C=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949201	0	41	-2.0	-126.94	334.82	8.09	-118.85
CC1=CC=CC=C1OCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949202	0	40	-2.0	-121.54	326.13	8.80	-112.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=CC=C2Cl)CC1	REAL300004949203	0	37	-2.0	-122.98	322.09	8.63	-114.35
CC1=CC(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(C)=C1	REAL300004949204	0	43	-2.0	-123.10	349.37	9.46	-113.64
CC1=CC=C(Cl)C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949205	0	40	-2.0	-122.59	343.50	9.29	-113.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=C3CCCC3=C2)CC1	REAL300004949206	0	44	-2.0	-123.77	352.11	10.04	-113.73
CCCOC1=CC=C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949207	0	47	-2.0	-123.02	379.40	9.14	-113.88
CCOC1=CC=C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949208	0	44	-2.0	-123.40	357.90	8.34	-115.06
CC1=CC=C(OC(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949209	0	43	-2.0	-120.45	341.41	9.10	-111.35
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=CC=C2Cl)CC1	REAL300004949210	0	39	-2.0	-122.47	331.65	9.40	-113.07
CC(OC1=CC=C(F)C=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949211	0	40	-2.0	-118.82	327.59	8.54	-110.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(F)C(Cl)=C2)CC1	REAL300004949212	0	37	-2.0	-123.39	329.04	9.29	-114.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(C3CC3)=C2)CC1	REAL300004949213	0	36	-2.0	-125.17	302.13	7.46	-117.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC=C3)CCOCC2)CC1	REAL300004949214	0	47	-2.0	-120.99	348.73	7.88	-113.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C(F)C=C3)CCOCC2)CC1	REAL300004949215	0	47	-2.0	-120.34	355.13	7.95	-112.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC(F)=C3)CCOCC2)CC1	REAL300004949216	0	47	-2.0	-123.99	355.60	8.01	-115.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC(Cl)=C3)CCOCC2)CC1	REAL300004949217	0	47	-2.0	-123.06	365.93	8.45	-114.61
COC1=CC=C(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCOCC2)C=C1	REAL300004949218	0	51	-2.0	-122.83	378.22	7.17	-115.66
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC=C3Cl)CCOCC2)CC1	REAL300004949219	0	47	-2.0	-120.43	348.00	8.22	-112.21
N#CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCOCC1	REAL300004949220	0	38	-2.0	-119.78	299.09	4.69	-115.09
CC(C)COC(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949221	0	42	-2.0	-120.23	328.65	7.46	-112.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C(F)C=C2)CC1	REAL300004949222	0	39	-2.0	-120.47	325.44	9.10	-111.37
CC1=CC(=O)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=CC=CC=C1	REAL300004949223	0	45	-2.0	-135.80	373.62	8.64	-127.16
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949224	0	50	-2.0	-132.67	384.32	10.93	-121.74
CC(C)(C)C(=O)N1CCCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004949225	0	52	-2.0	-128.17	380.18	7.69	-120.48
CCOC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949226	0	40	-2.0	-128.51	324.35	7.68	-120.83
C=CCC1=CC=C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(OC)=C1	REAL300004949227	0	48	-2.0	-125.46	391.00	9.83	-115.63
CN1C=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC1=O	REAL300004949228	0	36	-2.0	-129.24	302.62	6.19	-123.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=NC=C(C3=CC=CC=C3)O2)CC1	REAL300004949229	0	45	-2.0	-123.13	373.73	7.46	-115.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(C3=CC=CC=C3)C2)CC1	REAL300004949230	0	41	-2.0	-122.42	338.71	8.11	-114.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=NN=C(C3=CSC=C3)O2)CC1	REAL300004949231	0	41	-2.0	-124.25	360.69	3.88	-120.37
CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004949232	0	39	-2.0	-119.02	321.74	4.86	-114.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=C2OCCO3)CC1	REAL300004949233	0	39	-2.0	-127.22	318.43	6.80	-120.42
CC(C)OC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004949234	0	42	-2.0	-119.34	341.87	5.76	-113.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CN3C=CC=CC3=N2)CC1	REAL300004949235	0	39	-2.0	-134.75	323.75	8.83	-125.92
COC1=CC=C2OC(C)=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300004949236	0	43	-2.0	-129.18	356.38	7.85	-121.33
CC1=CC=C(C2=NC(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)O1	REAL300004949237	0	42	-2.0	-133.31	365.73	8.07	-125.24
CN1C=C(C2=NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)C=N1	REAL300004949238	0	39	-2.0	-139.02	341.71	6.60	-132.42
CC1=CC=C(C2=NC(C)=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)S2)O1	REAL300004949239	0	42	-2.0	-123.32	361.75	7.68	-115.64
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(C(C)C)=N1	REAL300004949240	0	41	-2.0	-120.12	340.65	7.09	-113.03
CCCC1=NC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004949241	0	41	-2.0	-119.42	337.35	7.03	-112.39
CCN1N=C(C(C)C)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949242	0	45	-2.0	-120.00	353.83	7.69	-112.31
CC1=NC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004949243	0	35	-2.0	-126.37	303.07	6.09	-120.28
CC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004949244	0	38	-2.0	-124.15	314.08	7.04	-117.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CSC(C3=NC=CC=N3)=N2)CC1	REAL300004949245	0	40	-2.0	-135.89	353.01	6.55	-129.34
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(C2=NC=CC=N2)=N1	REAL300004949246	0	40	-2.0	-126.42	348.58	6.12	-120.30
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC(C)=C1C(C)=O	REAL300004949247	0	45	-2.0	-122.42	365.00	8.02	-114.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=NC=CS2)CC1	REAL300004949248	0	35	-2.0	-121.85	303.82	6.14	-115.71
CC(C)OC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300004949249	0	42	-2.0	-118.05	357.91	6.32	-111.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC(=O)N2CCC3=C(C=CS3)C2)CC1	REAL300004949250	0	47	-2.0	-124.03	385.56	8.82	-115.21
CCC1=NC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004949251	0	38	-2.0	-126.77	324.56	6.86	-119.91
CC1=CN(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300004949252	0	39	-2.0	-120.61	321.41	6.83	-113.78
CC(C)(C)C1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004949253	0	41	-2.0	-119.82	339.18	6.87	-112.95
CCOC1=CC=C(Cl)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004949254	0	39	-2.0	-125.09	336.90	6.36	-118.73
COCC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004949255	0	36	-2.0	-131.00	312.98	4.80	-126.20
CCN(CC)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004949256	0	46	-2.0	-122.83	364.91	8.92	-113.91
CC1=NN(C(F)F)C(C)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949257	0	42	-2.0	-125.03	348.06	7.02	-118.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3CCCCCC3)N=C2)CC1	REAL300004949258	0	50	-2.0	-120.72	374.57	8.27	-112.45
CC1=NN(C)C(C)=C1C(=O)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949259	0	41	-2.0	-123.02	333.34	6.38	-116.64
CSCC1=NC2=CC=CC=C2N1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949260	0	46	-2.0	-127.44	389.47	10.05	-117.39
CC1=CC=CC2=C1N=CN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C2=O	REAL300004949261	0	44	-2.0	-131.07	363.45	9.52	-121.55
CC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949262	0	41	-2.0	-118.65	339.66	8.30	-110.35
CC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300004949263	0	44	-2.0	-116.45	358.32	6.19	-110.26
CC1=NN(C)C(C)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949264	0	42	-2.0	-125.45	339.55	7.01	-118.44
CC1OC2=CC=CC=C2N(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1=O	REAL300004949265	0	45	-2.0	-127.01	363.70	7.68	-119.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(N3CCCC3=O)C=C2)CC1	REAL300004949266	0	48	-2.0	-132.74	383.62	9.79	-122.95
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3C=NC=N3)C=C2)CC1	REAL300004949267	0	42	-2.0	-130.22	350.68	10.27	-119.95
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC(F)(F)F)N=C2)CC1	REAL300004949268	0	39	-2.0	-118.42	341.32	5.32	-113.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=CC3=CC=CN=C23)CC1	REAL300004949269	0	42	-2.0	-131.47	347.28	9.27	-122.20
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300004949270	0	48	-2.0	-119.60	383.21	8.75	-110.85
CC1=NN(C)C2=NC(C)=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300004949271	0	44	-2.0	-120.65	355.89	7.44	-113.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C(=O)COC3=CC=C(Cl)C=C32)CC1	REAL300004949272	0	42	-2.0	-127.45	361.11	7.42	-120.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3C=CC=N3)N=C2)CC1	REAL300004949273	0	39	-2.0	-121.66	327.71	7.58	-114.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC(N3CCCC3)=NC=C2Cl)CC1	REAL300004949274	0	43	-2.0	-126.54	354.53	8.48	-118.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(C3=CC=CO3)=N2)CC1	REAL300004949275	0	36	-2.0	-136.32	319.58	6.85	-129.47
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949276	0	38	-2.0	-115.48	327.58	7.03	-108.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC(=O)N(C3=CC=CC=C3)C2)CC1	REAL300004949277	0	44	-2.0	-120.79	349.94	8.31	-112.48
CCC(=O)N1CCCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004949278	0	46	-2.0	-131.58	353.26	7.21	-124.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCN(C(=O)C3CC3)C2)CC1	REAL300004949279	0	47	-2.0	-132.11	364.51	7.97	-124.14
CCS(=O)(=O)N1CCCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004949280	0	47	-2.0	-129.07	373.99	4.95	-124.12
CN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(=O)C1=CC=CS1	REAL300004949281	0	40	-2.0	-122.30	334.09	6.58	-115.72
CC(C)CN1CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1=O	REAL300004949282	0	46	-2.0	-120.77	355.30	7.22	-113.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CSCC2=CC=CN=C2)CC1	REAL300004949283	0	39	-2.0	-122.82	336.40	7.81	-115.01
CCC(=O)NC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949284	0	43	-2.0	-134.88	347.63	6.86	-128.02
COC1=CC=C(N2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2=O)C=C1	REAL300004949285	0	48	-2.0	-121.07	379.44	7.60	-113.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC(=O)N(C3=CC=C(Cl)C=C3)C2)CC1	REAL300004949286	0	44	-2.0	-119.03	366.67	8.83	-110.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC(=O)N(CC3=CC=CC=N3)C2)CC1	REAL300004949287	0	46	-2.0	-126.34	376.18	7.22	-119.12
CCOC1=NC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949288	0	39	-2.0	-125.25	316.79	5.73	-119.52
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=C(C(F)(F)F)C=CC2=O)CC1	REAL300004949289	0	39	-2.0	-127.38	340.57	7.75	-119.63
CC1=NC2=CC=CC=C2C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949290	0	41	-2.0	-122.65	334.65	8.21	-114.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC(=O)N(CC3=CC=CC=C3)C2)CC1	REAL300004949291	0	47	-2.0	-121.39	380.31	9.01	-112.38
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=NC3=CC=CC=C3C2=O)CC1	REAL300004949292	0	41	-2.0	-130.89	343.29	8.67	-122.22
COC1=CC=CC=C1N1CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1=O	REAL300004949293	0	48	-2.0	-126.63	386.12	7.98	-118.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC(=O)N(CC3=CC=CO3)C2)CC1	REAL300004949294	0	44	-2.0	-123.85	361.07	7.13	-116.72
CC1=CC=CC(N2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2=O)=C1C	REAL300004949295	0	50	-2.0	-123.47	395.74	10.23	-113.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CSC2=NC3=CC=CC=C3S2)CC1	REAL300004949296	0	39	-2.0	-121.90	350.85	8.36	-113.54
CC1=CC=CC(N2N=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2=O)=C1	REAL300004949297	0	47	-2.0	-126.38	382.42	8.99	-117.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2CCCCCC2=O)CC1	REAL300004949298	0	43	-2.0	-129.96	329.08	7.16	-122.80
CCC1=CC=CC=C1N1CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1=O	REAL300004949299	0	50	-2.0	-122.86	393.53	10.29	-112.57
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C(=O)COC3=CC=CC=C32)CC1	REAL300004949300	0	42	-2.0	-127.32	344.40	6.90	-120.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2CSCC2=O)CC1	REAL300004949301	0	35	-2.0	-127.11	301.92	5.55	-121.56
CC(=O)N1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004949302	0	43	-2.0	-127.06	331.19	6.35	-120.71
CC1=CC=CC2=NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN21	REAL300004949303	0	39	-2.0	-135.57	320.44	9.03	-126.54
CC(C1=CC=CC=C1)N1CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1=O	REAL300004949304	0	50	-2.0	-121.78	393.54	9.68	-112.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC(=O)N(C3CCCC3)C2)CC1	REAL300004949305	0	47	-2.0	-122.61	361.16	7.84	-114.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1	REAL300004949306	0	41	-2.0	-120.41	325.62	6.60	-113.81
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3CCCC3=O)C=C2)CC1	REAL300004949307	0	47	-2.0	-131.51	380.34	8.95	-122.56
CC(=O)NC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(C)C=C1	REAL300004949308	0	49	-2.0	-125.43	387.63	8.26	-117.17
CC1=CC2=NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN2C=C1	REAL300004949309	0	39	-2.0	-136.77	321.60	9.19	-127.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CSC(C3=CC=CN=C3)=N2)CC1	REAL300004949310	0	41	-2.0	-131.74	356.33	7.43	-124.31
CSC1=NC(C)=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=N1	REAL300004949311	0	47	-2.0	-122.16	385.87	8.52	-113.64
CC(C)(C)OC(=O)NCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949312	0	46	-2.0	-125.41	364.14	4.97	-120.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C3=CC=CC=C3OCCC2=O)CC1	REAL300004949313	0	45	-2.0	-129.93	360.60	7.58	-122.35
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CSC(C3=CSC=C3)=N2)CC1	REAL300004949314	0	39	-2.0	-127.22	351.85	8.08	-119.14
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CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC2=C1C(=O)N(C)C=N2	REAL300004949316	0	41	-2.0	-131.10	345.57	7.72	-123.38
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COC1=CC=CC(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949415	0	41	-2.0	-125.04	336.04	7.43	-117.61
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CN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CC=C1	REAL300004949417	0	44	-2.0	-130.74	372.44	5.81	-124.93
CC(=O)NC1=CC=C(SC(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949418	0	47	-2.0	-132.63	388.05	7.91	-124.72
COC1=CC=CC(SCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949419	0	41	-2.0	-122.87	345.64	8.04	-114.83
CC1=NC2=CC(F)=CC=C2C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949420	0	41	-2.0	-118.11	341.06	8.28	-109.83
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CN(C)C(=O)N1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004949426	0	48	-2.0	-126.25	360.01	6.53	-119.72
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CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1S(C)(=O)=O	REAL300004949429	0	42	-2.0	-131.70	342.92	5.25	-126.45
CC1=NN2C(=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N=C(C)C=C2C	REAL300004949430	0	44	-2.0	-135.03	364.77	8.13	-126.90
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CC(=O)N1CCC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300004949437	0	44	-2.0	-132.51	351.43	8.21	-124.30
CN1C=C(Br)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949438	0	34	-2.0	-122.99	296.56	7.26	-115.73
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CC(C)C(NC(=O)C1=CC=CO1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949472	0	46	-2.0	-121.25	358.73	5.93	-115.32
CCCCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004949473	0	50	-2.0	-121.84	396.41	8.91	-112.93
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COC1=CC=C(OCCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949475	0	47	-2.0	-123.02	378.01	7.86	-115.16
CCOC1=CC=CC=C1OCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949476	0	50	-2.0	-126.42	399.62	9.39	-117.03
CC1=CC=C(OCCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949477	0	46	-2.0	-122.63	369.92	9.25	-113.38
CC1=CC=CC(OCCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949478	0	46	-2.0	-124.48	370.41	9.29	-115.19
CC(C)CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949479	0	49	-2.0	-121.96	384.75	9.54	-112.42
CCCCCCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949480	0	52	-2.0	-121.90	410.18	10.58	-111.32
CC(C)OC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949481	0	43	-2.0	-121.75	342.14	8.06	-113.69
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CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004949486	0	42	-2.0	-120.99	332.47	9.47	-111.52
CC1=NC(COC2=CC=CC=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004949487	0	45	-2.0	-135.33	376.88	6.30	-129.03
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CC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300004949489	0	45	-2.0	-119.78	355.32	10.12	-109.66
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CC1=CC=C(F)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949491	0	36	-2.0	-123.22	298.28	7.87	-115.35
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CC1=CC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(=O)N1	REAL300004949494	0	39	-2.0	-139.37	321.12	5.34	-134.03
CC1=NN(C)C(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949495	0	39	-2.0	-123.96	321.00	6.23	-117.73
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COC1=CC=C(C2=NNC=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949498	0	44	-2.0	-127.36	362.26	6.46	-120.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC=C3)C3=C2CCC3)CC1	REAL300004949499	0	47	-2.0	-134.87	376.44	10.69	-124.18
CC(NC(=O)C1=CC=CS1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949500	0	40	-2.0	-120.34	340.30	5.53	-114.81
CC(=O)NCCNC(=O)CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949501	0	46	-2.0	-128.79	379.23	2.74	-126.05
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CC1=CC=C(Br)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949503	0	36	-2.0	-122.46	313.18	8.42	-114.04
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CC(C)(OC1=CC=CC(Cl)=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949505	0	43	-2.0	-120.11	346.33	8.46	-111.65
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949506	0	40	-2.0	-121.18	342.89	9.08	-112.10
CC1(C)CCC(C)(C)C2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300004949507	0	55	-2.0	-123.74	402.42	11.36	-112.38
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNC(=O)C(Br)=C2)CC1	REAL300004949508	0	33	-2.0	-120.21	303.12	4.94	-115.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(NC(=O)C3CC3)C=C2)CC1	REAL300004949509	0	47	-2.0	-126.86	384.53	8.65	-118.21
CC(C)C1=NN(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949510	0	42	-2.0	-118.87	333.16	6.83	-112.04
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CC1=NOC(C2=CC=CC=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004949512	0	41	-2.0	-131.94	341.62	7.48	-124.46
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004949513	0	35	-2.0	-126.85	294.59	3.09	-123.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3CCCCC3)N=C2)CC1	REAL300004949514	0	46	-2.0	-121.95	356.35	8.09	-113.86
CC1=CC=CC=C1N1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004949515	0	43	-2.0	-123.59	351.62	9.23	-114.36
CN(C)S(=O)(=O)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=C1	REAL300004949516	0	41	-2.0	-129.52	351.73	4.37	-125.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(SC3=CC=CC=C3)CCCC2)CC1	REAL300004949517	0	47	-2.0	-124.35	363.30	10.31	-114.04
CC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=CC=CC=C1	REAL300004949518	0	42	-2.0	-134.02	344.95	9.53	-124.49
COC1=CC=CC=C1CC(C)(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949519	0	49	-2.0	-123.26	364.70	8.89	-114.37
COCCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949520	0	44	-2.0	-124.60	357.82	6.71	-117.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2CCCCO2)CC1	REAL300004949521	0	43	-2.0	-121.91	333.64	7.15	-114.76
CC(CSC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949522	0	43	-2.0	-119.61	351.90	9.76	-109.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC(F)=CC=C3O2)CC1	REAL300004949523	0	36	-2.0	-121.05	307.88	7.99	-113.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(=O)NC3=CC=C([N+](=O)[O-])C=C32)CC1	REAL300004949524	0	41	-2.0	-130.77	352.28	6.89	-123.88
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3=CC(F)=CC=C3O2)CC1	REAL300004949525	0	38	-2.0	-120.61	314.96	8.33	-112.28
CCC(OC1CCCC1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949526	0	46	-2.0	-122.42	347.26	8.64	-113.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(NC3=CN=CC=N3)=C2)CC1	REAL300004949527	0	43	-2.0	-125.25	350.25	6.59	-118.66
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC3=CC=CC=C3C2=O)CC1	REAL300004949528	0	38	-2.0	-135.35	321.62	6.11	-129.24
CC(C)N1C=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004949529	0	39	-2.0	-130.67	315.77	6.96	-123.71
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004949530	0	36	-2.0	-132.39	317.33	3.03	-129.36
CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004949531	0	43	-2.0	-121.79	342.99	8.14	-113.65
CCN(CC)S(=O)(=O)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949532	0	43	-2.0	-126.66	353.95	4.27	-122.39
CC1CCCC(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004949533	0	46	-2.0	-122.09	354.93	8.86	-113.23
CC1=NOC(COCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004949534	0	38	-2.0	-128.08	323.69	4.23	-123.85
CC1CCC(=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004949535	0	43	-2.0	-121.74	327.61	8.82	-112.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2N=CN3N=CC=C3C2=O)CC1	REAL300004949536	0	38	-2.0	-131.47	325.93	6.37	-125.10
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)S(C)(=O)=O	REAL300004949537	0	38	-2.0	-135.56	300.94	2.79	-132.77
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(OC)=C1OC	REAL300004949538	0	45	-2.0	-119.83	364.74	6.34	-113.49
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300004949539	0	33	-2.0	-117.57	306.94	8.23	-109.34
CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OCC	REAL300004949540	0	47	-2.0	-121.89	375.21	8.24	-113.65
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004949541	0	41	-2.0	-122.19	331.50	6.41	-115.78
CC1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C1N2	REAL300004949542	0	50	-2.0	-128.91	388.68	10.27	-118.64
CCCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004949543	0	45	-2.0	-122.16	353.60	10.02	-112.14
CC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004949544	0	37	-2.0	-125.63	310.98	7.73	-117.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(OC(F)F)C=C2)CC1	REAL300004949545	0	41	-2.0	-126.75	345.63	8.32	-118.43
NC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949546	0	39	-2.0	-129.13	321.48	3.28	-125.85
CC1=CC(C)=C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300004949547	0	46	-2.0	-121.63	369.27	10.21	-111.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CNC(=O)CC2=CC=CC=C2)CC1	REAL300004949548	0	43	-2.0	-121.18	356.10	6.63	-114.55
CC1=CC=C(S(=O)(=O)NC(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949549	0	47	-2.0	-125.51	387.83	4.94	-120.57
CC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949550	0	38	-2.0	-126.34	321.53	8.50	-117.84
CC(=O)NCCCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949551	0	45	-2.0	-126.06	362.42	5.88	-120.18
CC1=CC=C(CN2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2=O)C=C1	REAL300004949552	0	50	-2.0	-122.35	399.67	9.59	-112.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC3CCCO3)C=C2)CC1	REAL300004949553	0	48	-2.0	-125.74	380.06	7.78	-117.96
CC1=CC(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1C(C)C	REAL300004949554	0	49	-2.0	-123.10	384.18	10.59	-112.51
CS(=O)(=O)NC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949555	0	41	-2.0	-134.52	348.50	3.77	-130.75
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC=C3)CC2)CC1	REAL300004949556	0	40	-2.0	-124.56	321.84	9.07	-115.49
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C(Cl)C=C3)CC2)CC1	REAL300004949557	0	40	-2.0	-123.21	338.57	9.59	-113.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300004949558	0	36	-2.0	-120.76	303.55	8.24	-112.52
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2N2CCCC2)CC1	REAL300004949559	0	47	-2.0	-130.46	372.79	8.36	-122.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C3OCCOC3=C2)CC1	REAL300004949560	0	42	-2.0	-124.37	341.64	7.33	-117.04
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949561	0	52	-2.0	-121.04	404.37	8.69	-112.35
CC1=CC=CC=C1C(=O)NC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)C	REAL300004949562	0	52	-2.0	-122.20	388.71	8.49	-113.71
COC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300004949563	0	43	-2.0	-122.96	364.57	8.88	-114.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C(Cl)C(Cl)=C2)CC1	REAL300004949564	0	39	-2.0	-120.64	350.95	10.00	-110.64
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=C(F)C=C1F	REAL300004949565	0	43	-2.0	-125.99	365.63	9.05	-116.94
CC1=NOC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004949566	0	37	-2.0	-121.50	310.61	4.62	-116.88
CC1=CC=CC(COC2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)=C1	REAL300004949567	0	50	-2.0	-127.61	405.52	11.13	-116.48
CC(C)(C)C(=O)NCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949568	0	48	-2.0	-123.92	378.17	6.36	-117.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCOC2=CC=C(F)C=C2)CC1	REAL300004949569	0	43	-2.0	-121.70	354.92	8.64	-113.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2N=C3C=CC=CN3C2=O)CC1	REAL300004949570	0	39	-2.0	-135.65	331.34	7.88	-127.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C(Br)C=C3)CC2)CC1	REAL300004949571	0	40	-2.0	-123.14	343.14	9.70	-113.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(OCC3CCCO3)=C2)CC1	REAL300004949572	0	48	-2.0	-131.51	381.28	7.87	-123.64
CC(NC(=O)C(C)(C)C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949573	0	45	-2.0	-119.63	351.35	5.44	-114.19
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=NNC(=O)C=C1	REAL300004949574	0	42	-2.0	-122.04	350.55	5.54	-116.50
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=CC=C1F	REAL300004949575	0	43	-2.0	-129.49	359.22	8.98	-120.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=C(Br)C=C3N2)CC1	REAL300004949576	0	37	-2.0	-118.77	324.99	8.27	-110.50
CC1=CC=CC=C1OCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949577	0	46	-2.0	-122.65	368.59	9.32	-113.33
CC1=NOC(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)=N1	REAL300004949578	0	41	-2.0	-121.31	345.86	6.59	-114.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC(Cl)=C3)CCC2)CC1	REAL300004949579	0	43	-2.0	-125.16	348.64	9.84	-115.32
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C(F)C=C3)CCC2)CC1	REAL300004949580	0	43	-2.0	-122.15	335.08	9.67	-112.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC(F)=C3)CCC2)CC1	REAL300004949581	0	43	-2.0	-126.31	338.31	9.40	-116.91
CC1=CC=CC(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2)=C1	REAL300004949582	0	46	-2.0	-124.45	353.32	9.99	-114.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC(F)=CC=C3N2)CC1	REAL300004949583	0	37	-2.0	-116.87	309.20	7.67	-109.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC(Cl)=C3)CCCCC2)CC1	REAL300004949584	0	49	-2.0	-125.54	374.17	10.80	-114.74
CCCC1=NNC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949585	0	39	-2.0	-117.60	316.53	6.15	-111.45
CCCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1	REAL300004949585	1	39	-2.0	-127.28	317.85	6.34	-120.94
CSC1=CC=C(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949586	0	40	-2.0	-126.50	331.99	8.82	-117.68
CC(C)C(=O)N1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004949587	0	49	-2.0	-125.80	371.16	7.68	-118.12
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=C(Cl)C=C3)N=C2)CC1	REAL300004949588	0	40	-2.0	-122.37	347.77	8.84	-113.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=C([N+](=O)[O-])C=C3)N=C2)CC1	REAL300004949589	0	42	-2.0	-123.04	359.24	8.99	-114.05
CC(OC1=CC=CC(Cl)=C1Cl)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949590	0	40	-2.0	-121.69	351.46	9.43	-112.26
CC1(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)NC(=O)NC1=O	REAL300004949591	0	45	-2.0	-125.32	368.14	4.23	-121.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=C(Cl)C=C3N2)CC1	REAL300004949592	0	37	-2.0	-118.96	320.43	8.16	-110.80
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=CC=C1	REAL300004949593	0	46	-2.0	-126.22	366.23	9.41	-116.81
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3N=CC=C(C4=CC=CC=C4)N3N=C2)CC1	REAL300004949594	0	45	-2.0	-133.84	378.14	9.69	-124.15
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=C(C)C=C1	REAL300004949595	0	49	-2.0	-124.79	392.94	10.19	-114.60
CC(C)(C)C1=CC=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=C1	REAL300004949596	0	49	-2.0	-120.99	379.69	9.98	-111.01
COC1=CC=C(COCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949597	0	44	-2.0	-123.71	361.13	7.89	-115.82
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=NN1C1=CC=C(F)C=C1	REAL300004949598	0	42	-2.0	-129.37	348.68	7.99	-121.38
CN(C1=CC=CC=C1)C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949599	0	48	-2.0	-126.20	377.48	11.51	-114.69
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=C(F)C=C1	REAL300004949600	0	46	-2.0	-122.37	377.93	9.58	-112.79
CC1=CC=C(N2N=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2C(C)C)C=C1	REAL300004949601	0	52	-2.0	-125.27	403.80	10.46	-114.81
CC(C)NC(=O)NC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949602	0	48	-2.0	-135.75	384.30	6.35	-129.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(N3CCNC3=O)=C2)CC1	REAL300004949603	0	43	-2.0	-139.40	343.69	5.87	-133.53
CC(C)(C)C1=NNC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004949604	0	42	-2.0	-116.78	333.35	6.48	-110.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC3=C2CCCC3)CC1	REAL300004949605	0	40	-2.0	-130.07	314.44	6.64	-123.43
CC1=CC=C(N2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=N2)C=C1	REAL300004949606	0	42	-2.0	-130.31	348.53	8.15	-122.16
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CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300004949620	0	45	-2.0	-121.26	371.22	10.47	-110.79
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CC(C)CNC(=O)N1CCCC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004949650	0	57	-2.0	-123.86	428.98	8.58	-115.28
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CC(C)COC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949656	0	49	-2.0	-121.54	390.10	9.90	-111.64
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CC(C)COC1=CC=C(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004949660	0	55	-2.0	-128.00	408.64	10.43	-117.57
COC1=CC=CC=C1CC(C)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949661	0	49	-2.0	-124.83	382.10	9.60	-115.23
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CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCN1C(=O)C1=CC=CC=C1	REAL300004949667	0	50	-2.0	-125.41	366.03	8.10	-117.31
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC=C2Cl)=N1	REAL300004949668	0	43	-2.0	-124.94	363.99	9.09	-115.85
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1S(N)(=O)=O	REAL300004949669	0	41	-2.0	-127.16	342.51	2.90	-124.26
COC1=CC=CC(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCCC2)=C1	REAL300004949670	0	50	-2.0	-134.32	373.10	9.69	-124.63
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CC1CCC(N2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2=O)CC1	REAL300004949678	0	53	-2.0	-120.34	398.31	9.04	-111.30
CSC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004949679	0	34	-2.0	-121.43	297.72	6.70	-114.73
CC(C)(CCCC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949680	0	51	-2.0	-121.48	384.33	10.89	-110.59
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1F	REAL300004949681	0	39	-2.0	-122.49	317.14	8.59	-113.90
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CC(C)CCCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004949762	0	47	-2.0	-119.34	362.20	9.59	-109.75
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CC(C)C1=CC=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=C1	REAL300004949781	0	46	-2.0	-120.95	363.76	9.58	-111.37
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CC1=NC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004949795	0	36	-2.0	-123.55	313.71	6.69	-116.86
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CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950015	0	41	-2.0	-125.65	358.28	3.30	-122.35
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CCSCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950027	0	43	-2.0	-124.20	360.48	9.97	-114.23
COC1=CC=CC2=C1OCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)=C2	REAL300004950028	0	43	-2.0	-126.14	344.42	7.48	-118.66
CC(C)NC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950029	0	48	-2.0	-129.20	385.52	6.39	-122.81
CC(C)(C)CC(=O)NCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950030	0	45	-2.0	-118.88	349.30	5.52	-113.36
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CCCC(=O)N1CCCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950037	0	46	-2.0	-134.89	360.58	7.50	-127.39
CCCC(=O)N1CCCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004950038	0	49	-2.0	-129.09	375.26	7.99	-121.10
CCCC(=O)N1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950039	0	49	-2.0	-137.83	369.92	9.23	-128.60
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CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300004950043	0	42	-2.0	-120.37	338.87	9.53	-110.84
CC(=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300004950044	0	40	-2.0	-119.95	332.24	9.53	-110.42
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CC(C)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=C1	REAL300004950048	0	39	-2.0	-123.73	328.17	8.38	-115.35
COC1=CC=CC=C1C1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004950049	0	43	-2.0	-133.43	363.75	8.38	-125.05
CC1=CC(C)=NN1CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950050	0	49	-2.0	-124.44	397.99	9.89	-114.55
CC(OCC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950051	0	43	-2.0	-122.46	346.96	9.02	-113.44
COC1=CC=C2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)COC2=C1	REAL300004950052	0	45	-2.0	-121.73	357.39	7.24	-114.49
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COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300004950054	0	47	-2.0	-126.01	381.04	10.27	-115.74
COC1=CC=CC=C1C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004950055	0	44	-2.0	-126.16	350.16	8.43	-117.73
CC1=CC=CC=C1C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004950056	0	43	-2.0	-122.76	336.74	9.53	-113.23
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CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300004950058	0	53	-2.0	-127.94	422.76	12.57	-115.37
CC1=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C(C2=CC=CO2)O1	REAL300004950059	0	42	-2.0	-131.00	355.51	5.29	-125.71
COCC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950060	0	40	-2.0	-123.94	327.90	6.91	-117.03
CC1=CC=C(C2=NC(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)C=C1	REAL300004950061	0	45	-2.0	-129.63	382.70	9.87	-119.76
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C21	REAL300004950062	0	40	-2.0	-128.83	328.42	8.97	-119.86
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CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC2=CC=CC(F)=C12	REAL300004950065	0	39	-2.0	-123.67	329.63	9.16	-114.51
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CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)S1	REAL300004950067	0	36	-2.0	-122.69	304.56	7.75	-114.94
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CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(C2=CC=CC=C2)=N1	REAL300004950072	0	42	-2.0	-122.01	356.79	8.74	-113.27
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(C2=CC=CS2)=N1	REAL300004950073	0	39	-2.0	-122.82	348.55	7.88	-114.94
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COC1=CC=CC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1OC(F)F	REAL300004950076	0	45	-2.0	-126.95	375.43	8.26	-118.69
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CN(C)C(=O)COC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950078	0	47	-2.0	-145.54	381.18	8.27	-137.27
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1C1CCCCC1	REAL300004950079	0	53	-2.0	-127.85	393.76	10.92	-116.93
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CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004950081	0	36	-2.0	-120.90	305.14	7.69	-113.21
COC1=CC=C(C)C=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950082	0	43	-2.0	-125.45	347.36	8.24	-117.21
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CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SN=N1	REAL300004950087	0	34	-2.0	-114.41	293.80	5.17	-109.24
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CC1=CC=C(Cl)C(OC(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950090	0	43	-2.0	-121.66	357.69	9.63	-112.03
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CCOC1=CC=C(OCCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950103	0	50	-2.0	-124.38	400.36	8.83	-115.55
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COC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(OC)=C1OC	REAL300004950106	0	51	-2.0	-124.05	410.76	8.17	-115.88
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CCCCSC(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950116	0	42	-2.0	-119.65	340.23	8.53	-111.12
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CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=NN1C1=CC=CC=C1	REAL300004950118	0	42	-2.0	-131.24	342.50	7.94	-123.30
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=NN1C1=CC=C(C)C=C1	REAL300004950119	0	45	-2.0	-130.92	363.89	8.62	-122.30
CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1Br	REAL300004950120	0	42	-2.0	-122.36	350.16	9.99	-112.37
CC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004950121	0	36	-2.0	-122.18	309.74	8.13	-114.05
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CC1=CC=C(CN2C(=O)CCC2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950123	0	50	-2.0	-123.65	391.06	9.86	-113.79
CC(CCC1=CC=CC(F)=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950124	0	45	-2.0	-124.10	361.64	10.18	-113.92
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CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(Br)S1	REAL300004950126	0	36	-2.0	-119.57	324.80	8.48	-111.09
CCCOC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950127	0	49	-2.0	-122.00	391.89	10.05	-111.95
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CC(=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300004950129	0	43	-2.0	-122.05	365.19	10.50	-111.55
CCC(CC)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004950130	0	48	-2.0	-123.49	349.62	9.47	-114.02
CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300004950131	0	41	-2.0	-120.85	333.49	8.98	-111.87
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CC(CCOC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950133	0	46	-2.0	-122.21	362.43	8.86	-113.35
CC1=CC(F)=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300004950134	0	38	-2.0	-126.42	330.09	8.90	-117.52
CCC(OC1=CC=CC=C1F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950135	0	43	-2.0	-123.20	340.17	9.01	-114.19
CC1=C(C)C=C2OC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC2=C1	REAL300004950136	0	42	-2.0	-125.64	340.10	9.06	-116.58
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(C2CCCC2)=N1	REAL300004950137	0	45	-2.0	-120.28	364.61	8.37	-111.91
COC1=CC=C(C2=NC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)S2)C=C1	REAL300004950138	0	43	-2.0	-120.96	366.23	7.38	-113.58
CCOC1=C(F)C=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950139	0	40	-2.0	-123.83	335.54	7.95	-115.88
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1N=NC(C2=CC=CC=C2)=N1	REAL300004950140	0	44	-2.0	-124.72	366.04	7.63	-117.09
CCCOC1=CC=C(Cl)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950141	0	43	-2.0	-126.48	362.58	8.97	-117.51
CCC1=CC=C(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)O2)C=C1	REAL300004950142	0	46	-2.0	-127.94	376.51	10.65	-117.29
CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(=O)N1	REAL300004950143	0	46	-2.0	-138.44	369.08	8.30	-130.14
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CN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1[N+](=O)[O-]	REAL300004950145	0	43	-2.0	-131.58	353.51	8.98	-122.60
CC(C)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C	REAL300004950146	0	42	-2.0	-129.71	335.84	7.35	-122.36
CC(C)CC(C)OCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950147	0	48	-2.0	-118.71	372.43	8.10	-110.61
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300004950148	0	39	-2.0	-120.73	343.68	9.58	-111.15
CC1=CC=C(N2N=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C3=C2CCC3)C=C1	REAL300004950149	0	50	-2.0	-134.75	399.48	11.42	-123.33
CC(C)(C)C1=CC=C(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2)C=C1	REAL300004950150	0	52	-2.0	-125.43	398.05	11.40	-114.03
CC1=CC(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2)=CC(C)=C1	REAL300004950151	0	49	-2.0	-123.85	375.18	10.69	-113.16
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2N=CC3=CC=CC=C3C2=O)CC1	REAL300004950153	0	41	-2.0	-137.73	344.46	7.22	-130.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC(Cl)=C3)CCCC2)CC1	REAL300004950154	0	46	-2.0	-122.75	360.33	10.92	-111.83
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CCN1C(=O)NC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C2C1=O	REAL300004950156	0	45	-2.0	-120.40	368.09	6.70	-113.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=C(Br)C=CC2=O)CC1	REAL300004950157	0	36	-2.0	-127.58	323.11	7.38	-120.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC(Br)=C3)CC2)CC1	REAL300004950158	0	40	-2.0	-124.92	344.25	9.76	-115.16
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C(C2=CC=CS2)O1	REAL300004950159	0	39	-2.0	-129.29	338.62	6.59	-122.70
CC(C)(C)N1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C(F)(F)F	REAL300004950160	0	45	-2.0	-120.13	353.33	7.35	-112.78
CC1=NN(C(C)(C)C)C(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950161	0	48	-2.0	-123.68	373.79	8.01	-115.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3CCOCC3)C=C2)CC1	REAL300004950162	0	48	-2.0	-122.19	374.80	7.59	-114.60
CC1CCC(NS(=O)(=O)CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004950163	0	50	-2.0	-125.65	389.58	4.80	-120.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1	REAL300004950164	0	56	-2.0	-128.01	422.20	8.70	-119.31
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950165	0	52	-2.0	-120.65	408.44	8.56	-112.09
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2NN=CC2=C1	REAL300004950166	0	39	-2.0	-125.32	316.62	6.48	-118.84
CC1=CC2=CNN=C2C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950166	1	39	-2.0	-137.75	322.08	6.66	-131.09
CC1=NOC(C)=C1C(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950167	0	41	-2.0	-122.03	323.63	7.22	-114.81
CC(C)(C)C1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004950168	0	41	-2.0	-130.93	339.40	7.58	-123.35
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CCCNC(=O)NC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950170	0	51	-2.0	-128.77	411.61	7.38	-121.39
O=C(CCC1CCCC1)NCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950171	0	49	-2.0	-119.56	381.80	7.02	-112.54
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCC2=CC=CC=C21	REAL300004950172	0	46	-2.0	-123.22	340.78	9.52	-113.70
CC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=CC=C(F)C=C1	REAL300004950173	0	42	-2.0	-130.53	351.68	9.61	-120.92
CCCS(=O)(=O)N1CCCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950174	0	47	-2.0	-126.21	376.05	5.08	-121.13
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NC(=O)CSC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950177	0	41	-2.0	-139.56	349.09	5.12	-134.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300004950178	0	39	-2.0	-130.78	354.05	9.35	-121.43
CC1=NC(CSCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004950179	0	39	-2.0	-123.83	348.15	7.28	-116.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2N=NC3=CC=CC=C3C2=O)CC1	REAL300004950180	0	40	-2.0	-132.78	339.51	5.81	-126.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300004950181	0	46	-2.0	-125.51	377.87	10.22	-115.29
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCSC2=CC=CC=C2F)CC1	REAL300004950182	0	40	-2.0	-122.58	343.60	9.52	-113.06
CC1=C(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)O1	REAL300004950183	0	39	-2.0	-122.92	322.70	7.69	-115.23
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CC1CC1C1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004950185	0	44	-2.0	-124.39	361.94	9.87	-114.52
CC1=C2C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CNC2=CC=C1	REAL300004950186	0	43	-2.0	-126.88	343.50	8.64	-118.24
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CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1F	REAL300004950244	0	42	-2.0	-123.57	337.51	9.49	-114.08
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CC(C)OC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950252	0	43	-2.0	-129.25	342.42	8.41	-120.84
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CC(=O)C1=CSC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950256	0	35	-2.0	-126.06	306.52	6.66	-119.40
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CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300004950264	0	36	-2.0	-122.58	307.58	8.28	-114.30
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COC1=CC=C(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCCC2)C=C1	REAL300004950266	0	50	-2.0	-125.96	370.65	9.61	-116.35
COC1=CC=C(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950267	0	46	-2.0	-122.66	369.55	9.07	-113.59
CC1=CC=C(C)C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950268	0	42	-2.0	-122.77	335.82	9.38	-113.39
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CC(C)C1=NNC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950272	0	39	-2.0	-116.45	313.32	5.88	-110.57
CC(C)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1	REAL300004950272	1	39	-2.0	-126.92	315.40	6.20	-120.72
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CC(OC1=CC=CC=C1Cl)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950277	0	40	-2.0	-122.00	335.67	8.95	-113.05
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CC1CC1C1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004950383	0	46	-2.0	-120.76	371.38	10.18	-110.58
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300004950384	0	36	-2.0	-121.27	311.70	5.79	-115.48
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CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=C(F)C=C1	REAL300004950390	0	43	-2.0	-122.83	356.23	8.82	-114.01
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CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C(C2=CC=CO2)S1	REAL300004950392	0	39	-2.0	-135.72	336.72	7.67	-128.05
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1NS(C)(=O)=O	REAL300004950393	0	44	-2.0	-131.18	363.46	4.63	-126.55
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC(C)=CC=C1	REAL300004950394	0	46	-2.0	-124.74	371.98	9.48	-115.26
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CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=C(C)C=C1	REAL300004950398	0	46	-2.0	-124.12	370.59	9.41	-114.71
CCCS(=O)(=O)NC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950399	0	47	-2.0	-134.00	391.46	5.44	-128.56
CCS(=O)(=O)NC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950400	0	44	-2.0	-134.10	369.96	4.65	-129.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300004950401	0	38	-2.0	-123.60	325.35	8.85	-114.75
CN1C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC2=CC=CC=C21	REAL300004950402	0	40	-2.0	-122.87	320.49	8.67	-114.20
COC1=CC(Cl)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950403	0	37	-2.0	-123.25	320.25	7.33	-115.92
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300004950404	0	39	-2.0	-117.87	328.30	7.93	-109.94
COC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004950405	0	40	-2.0	-121.36	324.40	8.02	-113.34
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CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Br	REAL300004950407	0	36	-2.0	-122.51	311.61	8.36	-114.15
COC1=C2OC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC2=CC=C1	REAL300004950408	0	40	-2.0	-130.01	330.90	7.21	-122.80
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COC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950412	0	39	-2.0	-132.20	327.49	7.93	-124.27
CC(CC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950413	0	42	-2.0	-119.57	331.74	9.20	-110.37
CN1C=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C21	REAL300004950414	0	43	-2.0	-128.11	351.99	10.00	-118.11
COC1=CC=C2NC=C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300004950415	0	44	-2.0	-132.00	359.10	7.56	-124.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCOCC2=CC=CC=C2)CC1	REAL300004950416	0	46	-2.0	-124.63	374.56	9.09	-115.54
CC1=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2N1	REAL300004950417	0	43	-2.0	-126.88	348.98	8.78	-118.10
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1F	REAL300004950418	0	36	-2.0	-119.28	298.83	7.88	-111.40
CC1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950419	0	39	-2.0	-121.31	318.54	8.84	-112.47
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300004950420	0	40	-2.0	-122.02	321.29	7.18	-114.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=CC=CC=C3F)S2)CC1	REAL300004950421	0	40	-2.0	-122.34	349.77	10.00	-112.34
CCCCN1N=C(C)C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1Cl	REAL300004950422	0	49	-2.0	-123.13	412.83	9.91	-113.22
C=CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950423	0	45	-2.0	-127.19	383.26	4.76	-122.43
CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950424	0	44	-2.0	-127.33	370.46	4.21	-123.12
CC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950425	0	47	-2.0	-122.75	389.71	4.87	-117.88
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004950426	0	42	-2.0	-127.23	315.62	8.71	-118.52
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCN2C=CC3=CC=CC=C32)CC1	REAL300004950427	0	43	-2.0	-121.31	351.84	10.22	-111.09
CCNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950428	0	44	-2.0	-123.17	370.49	4.22	-118.95
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950429	0	40	-2.0	-121.24	353.21	9.52	-111.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300004950430	0	33	-2.0	-116.94	304.73	8.15	-108.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C(F)C=C3)CCCC2)CC1	REAL300004950431	0	46	-2.0	-126.88	350.01	10.47	-116.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1	REAL300004950432	0	47	-2.0	-123.59	329.32	8.89	-114.70
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CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950434	0	40	-2.0	-126.32	327.47	6.01	-120.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=CC=C2)CC1	REAL300004950435	0	39	-2.0	-119.74	318.53	8.98	-110.76
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=CC=C2)CC1	REAL300004950438	0	37	-2.0	-121.34	306.06	8.09	-113.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)CC1	REAL300004950439	0	44	-2.0	-123.77	360.41	10.00	-113.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CSC2=CC(Cl)=CC=C2Cl)CC1	REAL300004950440	0	37	-2.0	-119.62	347.40	9.66	-109.96
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300004950441	0	42	-2.0	-125.41	357.15	5.82	-119.59
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC(F)F	REAL300004950442	0	41	-2.0	-126.12	341.26	6.69	-119.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC=C3F)C=C2)CC1	REAL300004950443	0	40	-2.0	-129.39	334.85	8.93	-120.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(F)C=C3)C=C2)CC1	REAL300004950444	0	40	-2.0	-132.05	337.90	9.03	-123.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC=C3)C=C2)CC1	REAL300004950445	0	40	-2.0	-133.75	331.49	8.97	-124.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCOCCC2=CC=CC=C2)CC1	REAL300004950446	0	49	-2.0	-121.93	395.56	9.82	-112.11
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004950447	0	41	-2.0	-128.18	352.04	3.47	-124.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(N3C=NN=N3)C=CS2)CC1	REAL300004950448	0	35	-2.0	-138.35	313.87	6.59	-131.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(Cl)C3=CC=CC=C3N2)CC1	REAL300004950449	0	37	-2.0	-122.02	325.91	7.73	-114.29
CC1=CC=C(C2=NOC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)C=C1	REAL300004950450	0	42	-2.0	-120.66	349.72	8.98	-111.68
CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004950451	0	38	-2.0	-127.94	333.08	1.65	-126.29
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004950451	1	37	-3.0	-184.36	330.07	1.20	-183.16
CC(C)(C)C1=NOC(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004950452	0	49	-2.0	-127.04	393.83	7.02	-120.02
CC1=NOC(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004950453	0	40	-2.0	-126.72	332.11	5.40	-121.32
CCC1=NOC(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004950454	0	43	-2.0	-126.78	353.59	6.01	-120.77
CCN(CC)C(=O)N1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004950455	0	54	-2.0	-125.54	398.07	8.24	-117.30
CC1=CC(NC(=O)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004950456	0	36	-2.0	-119.15	303.25	4.73	-114.42
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CC1=CC=C(C2=NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)O1	REAL300004950461	0	39	-2.0	-136.18	341.90	7.69	-128.49
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C(Cl)S2)CC1	REAL300004950462	0	36	-2.0	-118.21	325.81	8.69	-109.52
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CSC(CC3=CC=CC=C3)=N2)CC1	REAL300004950463	0	45	-2.0	-128.97	384.45	9.89	-119.08
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(CC2=CC=CC=C2)=N1	REAL300004950464	0	45	-2.0	-120.48	375.75	9.27	-111.21
CCOC1=CC=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=C1	REAL300004950465	0	44	-2.0	-122.94	354.97	7.88	-115.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(CC3=CC=CC=C3)=N2)CC1	REAL300004950466	0	42	-2.0	-133.23	360.71	9.52	-123.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(=O)NC3=CC(F)=CC=C32)CC1	REAL300004950467	0	39	-2.0	-120.73	333.84	6.39	-114.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(Br)C3=CC=CC=C3N2)CC1	REAL300004950468	0	37	-2.0	-121.69	330.08	7.79	-113.90
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC2=C1C(=O)CCC2	REAL300004950469	0	42	-2.0	-126.44	336.41	8.01	-118.43
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950470	0	40	-2.0	-123.15	347.55	9.35	-113.80
CCCC1=NOC(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004950471	0	46	-2.0	-126.76	375.09	6.78	-119.98
COC1=CC=C2C(=C1)C=CN2CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950472	0	44	-2.0	-124.84	360.36	8.93	-115.91
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COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300004950573	0	39	-2.0	-122.16	328.32	7.95	-114.21
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004950574	0	39	-2.0	-123.60	311.23	8.39	-115.21
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CC=C1[N+](=O)[O-]	REAL300004950575	0	38	-2.0	-121.03	314.31	8.30	-112.73
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COC1=CC(OC)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004950579	0	45	-2.0	-127.07	361.07	6.00	-121.07
CCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004950580	0	42	-2.0	-121.87	333.29	9.33	-112.54
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CC1=CC=CC(NC2=CC=CC=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004950583	0	51	-2.0	-126.83	400.28	10.95	-115.88
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CC1=CC=C(C(=O)NCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004950587	0	40	-2.0	-120.74	345.43	5.74	-115.00
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CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950589	0	41	-2.0	-123.60	349.44	3.37	-120.23
COC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950590	0	39	-2.0	-129.03	330.67	7.40	-121.63
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C([N+](=O)[O-])C=C1OC	REAL300004950591	0	46	-2.0	-127.08	379.48	8.88	-118.20
COC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300004950592	0	40	-2.0	-124.34	333.37	7.59	-116.75
CC(C)CC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950593	0	48	-2.0	-122.52	378.79	10.91	-111.61
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CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950595	0	49	-2.0	-128.53	393.94	10.32	-118.21
CC1=CC=NN1C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950596	0	43	-2.0	-122.48	349.38	8.78	-113.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCS(=O)(=O)C2)CC1	REAL300004950597	0	39	-2.0	-126.80	319.42	3.86	-122.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(N3CCCC3=O)=C2)CC1	REAL300004950598	0	44	-2.0	-137.23	349.00	8.26	-128.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC=C3OC2)CC1	REAL300004950599	0	39	-2.0	-122.65	319.33	7.75	-114.90
CCOC1=CC([N+](=O)[O-])=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004950600	0	46	-2.0	-127.03	379.48	8.88	-118.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2OCC2=CSC=N2)CC1	REAL300004950601	0	43	-2.0	-128.93	366.74	7.80	-121.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(CC2=CC=CC=C2)N2C=NN=N2)CC1	REAL300004950602	0	44	-2.0	-119.91	363.06	9.09	-110.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300004950603	0	43	-2.0	-120.85	356.04	8.72	-112.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=CC=C3)N=C2)CC1	REAL300004950604	0	40	-2.0	-123.41	330.50	8.26	-115.15
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCNC(=O)C2=CSC=C2)CC1	REAL300004950606	0	43	-2.0	-125.40	366.46	6.34	-119.06
CC1=NOC(C(C)C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950607	0	41	-2.0	-117.48	338.61	7.72	-109.76
CCOC1=CC=CC=C1CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950608	0	46	-2.0	-123.66	369.20	9.31	-114.35
CC(C)(C)C1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950609	0	51	-2.0	-121.18	395.24	11.35	-109.83
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(F)=C1	REAL300004950610	0	37	-2.0	-122.45	308.46	6.50	-115.95
CC(C)C(NC(=O)C1=CC=CS1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950611	0	46	-2.0	-121.80	365.18	6.86	-114.94
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COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300004950613	0	43	-2.0	-125.12	345.31	8.75	-116.37
CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)NC(=O)C1=CC=CC=C1	REAL300004950614	0	46	-2.0	-126.49	372.98	7.78	-118.71
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CC(C)C1=CC=C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950616	0	46	-2.0	-122.45	366.75	10.07	-112.38
COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950617	0	44	-2.0	-137.08	362.79	8.41	-128.67
CC(=O)NCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950618	0	43	-2.0	-124.67	354.78	6.21	-118.46
CC(=O)NC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950619	0	43	-2.0	-129.51	353.72	7.11	-122.40
CC(C)(C)C1=CC=CC=C1OCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950620	0	49	-2.0	-121.65	377.22	10.61	-111.04
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CC1=CC2=CC=CC=C2N1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950623	0	43	-2.0	-124.04	349.88	10.08	-113.96
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CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950625	0	48	-2.0	-129.77	380.08	11.36	-118.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCOC2=CC=C(Cl)C=C2)CC1	REAL300004950626	0	43	-2.0	-121.30	365.24	9.09	-112.21
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CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=CC=C1C	REAL300004950628	0	46	-2.0	-125.42	370.97	9.75	-115.67
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1OC1CCCC1	REAL300004950629	0	51	-2.0	-122.14	397.30	9.33	-112.81
COCCSCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950630	0	37	-2.0	-119.64	315.34	5.63	-114.01
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(OCC3=CC=CS3)=C2)CC1	REAL300004950635	0	44	-2.0	-125.35	373.63	9.53	-115.82
CN1C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(Cl)=C1Cl	REAL300004950636	0	34	-2.0	-117.78	308.09	7.49	-110.29
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCN2CCCS2(=O)=O)CC1	REAL300004950637	0	41	-2.0	-133.07	341.25	3.56	-129.51
CCCOC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950638	0	47	-2.0	-122.14	378.77	9.71	-112.43
CC(=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004950639	0	40	-2.0	-121.34	325.84	9.46	-111.88
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=CC=CC=C32)CC1	REAL300004950640	0	43	-2.0	-124.39	333.21	9.66	-114.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=NC(C3=CC=CS3)=NO2)CC1	REAL300004950641	0	44	-2.0	-129.24	382.34	7.45	-121.79
CC1=NC(C2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)=CS1	REAL300004950642	0	42	-2.0	-129.60	357.39	8.61	-120.99
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)S(C)(=O)=O	REAL300004950643	0	35	-2.0	-133.95	292.91	2.86	-131.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)CCCC2=CC=CC=C2)CC1	REAL300004950644	0	48	-2.0	-134.83	403.03	7.73	-127.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1	REAL300004950645	0	42	-2.0	-131.76	342.05	5.07	-126.69
CCCS(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950646	0	45	-2.0	-127.41	369.17	7.87	-119.54
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950647	0	45	-2.0	-126.85	366.50	7.52	-119.33
CCCC(=O)N1CSCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950648	0	44	-2.0	-130.70	358.38	7.12	-123.58
CC(C)(C)CC(=O)N1CSCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950649	0	50	-2.0	-129.97	389.84	8.27	-121.70
CCCCC(=O)N1CSCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950650	0	47	-2.0	-131.10	379.88	7.90	-123.20
CC(C)OC1=CC=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950651	0	46	-2.0	-125.91	365.73	9.13	-116.78
NC(=O)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950652	0	37	-2.0	-131.26	307.99	4.01	-127.25
C=CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950653	0	41	-2.0	-122.44	337.09	8.02	-114.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CNC(=O)NCC2=CC=C(Cl)C=C2)CC1	REAL300004950654	0	45	-2.0	-119.76	388.78	5.84	-113.92
CC(C)CCC(=O)NCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950655	0	45	-2.0	-119.51	356.67	5.70	-113.81
CC1CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC(C)(C)C1	REAL300004950656	0	51	-2.0	-120.00	368.80	9.84	-110.16
CC(OC1=CC=CC=C1C(F)(F)F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950657	0	43	-2.0	-124.01	357.42	9.47	-114.54
CC(OC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950658	0	40	-2.0	-117.31	353.47	9.45	-107.86
COC1=CC=C(CCCCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950659	0	52	-2.0	-123.98	413.04	10.67	-113.31
CCSC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)C	REAL300004950660	0	42	-2.0	-120.94	325.51	8.14	-112.80
CC1=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C(C2=CSC=C2)O1	REAL300004950661	0	42	-2.0	-127.89	365.66	6.27	-121.62
CCN1N=C(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004950662	0	42	-2.0	-123.86	343.68	7.12	-116.74
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CC(C)CC(=O)NC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004950664	0	52	-2.0	-123.33	409.78	8.70	-114.63
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300004950665	0	45	-2.0	-120.03	354.95	9.70	-110.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=CC(OC3CCCC3)=C2)CC1	REAL300004950666	0	53	-2.0	-122.94	413.76	11.25	-111.69
CC(C)OC1=CC=CC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950667	0	47	-2.0	-124.29	376.22	9.61	-114.68
CC(C)(C)C1=CC=C(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950668	0	54	-2.0	-121.42	416.25	12.09	-109.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=CC=CC=C32)CC1	REAL300004950669	0	40	-2.0	-123.55	320.38	9.17	-114.38
NS(=O)(=O)C1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950670	0	41	-2.0	-129.02	351.82	3.18	-125.84
CN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C(F)F	REAL300004950671	0	36	-2.0	-124.17	303.27	5.58	-118.59
NC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CC=C1[N+](=O)[O-]	REAL300004950672	0	37	-2.0	-120.18	309.84	6.08	-114.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(C3=CC=CC=C3Cl)=N2)CC1	REAL300004950673	0	39	-2.0	-137.62	342.85	9.28	-128.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC(C(F)(F)F)=C3)CC2)CC1	REAL300004950674	0	43	-2.0	-128.48	360.61	10.07	-118.41
CC(=O)NC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=C(F)C=CC=C1F	REAL300004950675	0	46	-2.0	-129.23	384.88	8.17	-121.06
CC1=CC=CC=C1C1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004950676	0	42	-2.0	-134.80	351.05	9.01	-125.79
CC(C)C(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004950677	0	48	-2.0	-120.72	369.51	10.49	-110.23
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C2OCCOC2=C1	REAL300004950678	0	45	-2.0	-124.03	354.82	7.70	-116.33
CCC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004950679	0	45	-2.0	-120.90	350.87	9.99	-110.91
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(CC(C)C)=N1	REAL300004950680	0	44	-2.0	-120.63	359.16	7.70	-112.93
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1CC1CC1	REAL300004950681	0	47	-2.0	-127.53	370.85	10.24	-117.29
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC(C3=CC=CC=C3)=N2)CC1	REAL300004950682	0	39	-2.0	-129.63	330.21	6.91	-122.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(=O)NCCCC2=CC=CC=C2)CC1	REAL300004950683	0	46	-2.0	-121.35	376.26	7.27	-114.08
CCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004950684	0	44	-2.0	-121.91	353.35	7.32	-114.59
CN(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300004950685	0	43	-2.0	-121.00	353.34	8.46	-112.54
CC1=CC=C(NC(=O)CSCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950686	0	47	-2.0	-129.94	396.79	8.51	-121.43
CC(C)C1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950687	0	46	-2.0	-123.44	366.61	10.64	-112.80
CC1=CC=C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300004950688	0	43	-2.0	-121.55	347.54	9.47	-112.08
CCCC1=C(C)SC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950689	0	42	-2.0	-122.26	344.39	9.01	-113.25
CCCOC1=C(Cl)C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004950690	0	47	-2.0	-119.13	394.90	8.80	-110.33
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950691	0	43	-2.0	-127.52	355.59	7.78	-119.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(Br)S2)CC1	REAL300004950692	0	34	-2.0	-122.54	318.32	8.54	-114.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC=C3N2)CC1	REAL300004950693	0	37	-2.0	-121.06	305.28	7.62	-113.44
CC1=C(C)SC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950694	0	36	-2.0	-122.67	303.75	7.58	-115.09
CS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950695	0	39	-2.0	-128.59	349.04	5.21	-123.38
COC1=CC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1OC(C)C	REAL300004950696	0	51	-2.0	-125.00	405.72	9.53	-115.47
CC1=CC(NC(=O)CSCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004950697	0	43	-2.0	-128.50	371.25	7.04	-121.46
CCC1=C(C)SC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950698	0	39	-2.0	-122.36	322.90	8.24	-114.12
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950699	0	42	-2.0	-135.93	353.66	2.38	-133.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(COC3=CC=CC=C3)O2)CC1	REAL300004950700	0	44	-2.0	-126.24	365.83	8.87	-117.37
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950701	0	40	-3.0	-190.46	343.03	4.11	-186.35
CS(=O)(=O)N1CCCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950702	0	41	-2.0	-136.47	330.86	4.43	-132.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=CC(Cl)=C2)CC1	REAL300004950703	0	37	-2.0	-120.66	322.79	8.61	-112.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3CCCC3)C=C2)CC1	REAL300004950704	0	47	-2.0	-122.94	366.14	9.39	-113.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC(F)(F)F)C=C2)CC1	REAL300004950705	0	40	-2.0	-123.42	343.76	7.90	-115.52
CCCOC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950706	0	43	-2.0	-125.61	345.69	8.21	-117.40
CC(SCC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950707	0	43	-2.0	-121.52	357.13	9.99	-111.53
CC(C)C1=CC=C(SCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950708	0	46	-2.0	-121.14	376.34	10.66	-110.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(SCC3=CC=CC=C3)C=C2)CC1	REAL300004950709	0	47	-2.0	-122.48	394.36	12.08	-110.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=CC=C2C(F)(F)F)CC1	REAL300004950710	0	40	-2.0	-125.02	343.53	9.14	-115.88
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=C(F)C=C2F)CC1	REAL300004950711	0	37	-2.0	-122.07	318.69	8.22	-113.85
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1C(C)C1=CC=CC=C1	REAL300004950712	0	53	-2.0	-129.52	409.72	11.98	-117.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCN2C=CC=CC2=O)CC1	REAL300004950713	0	39	-2.0	-128.12	322.33	7.25	-120.87
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950714	0	52	-2.0	-120.33	396.20	10.76	-109.57
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC(Br)=C2)CC1	REAL300004950715	0	30	-2.0	-117.89	276.14	6.05	-111.84
CC(C)CC1=NNC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950716	0	42	-2.0	-116.69	331.69	6.94	-109.75
CC(C)CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1	REAL300004950716	1	42	-2.0	-127.56	336.54	6.89	-120.67
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1N1C=NN=N1	REAL300004950717	0	41	-2.0	-123.52	340.14	8.31	-115.21
CC1=CC(OC(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Cl	REAL300004950718	0	43	-2.0	-118.92	355.13	9.52	-109.40
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1CC1=CC=CC=C1	REAL300004950719	0	46	-2.0	-124.91	372.15	9.15	-115.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)N2C=CC=N2)CC1	REAL300004950720	0	43	-2.0	-121.63	352.11	8.70	-112.93
COC1=CC=CC(Cl)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950721	0	37	-2.0	-129.23	322.21	7.15	-122.08
CC1=CNC(=O)N1C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950722	0	44	-2.0	-129.23	364.15	8.00	-121.23
CC1=CC=C2OC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC2=C1	REAL300004950723	0	39	-2.0	-124.92	322.53	8.51	-116.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC(F)=CC=C2F)CC1	REAL300004950724	0	39	-2.0	-120.36	330.40	9.08	-111.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCN2C=C([N+](=O)[O-])C=N2)CC1	REAL300004950725	0	38	-2.0	-120.65	329.71	6.87	-113.78
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC2=C(C)C=CC=C12	REAL300004950726	0	42	-2.0	-127.37	340.51	9.30	-118.07
COCCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C21	REAL300004950727	0	47	-2.0	-127.36	384.06	8.93	-118.43
CC(C)(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004950728	0	45	-2.0	-119.51	342.54	9.75	-109.76
CC(C)(C)C(=O)N1CCCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950729	0	49	-2.0	-138.09	364.41	8.53	-129.56
CC12CCC(=O)N1C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CS2	REAL300004950730	0	42	-2.0	-130.68	340.29	7.81	-122.87
CC(C)C(SCC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950731	0	49	-2.0	-122.40	385.41	11.18	-111.22
O=C(CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)NC1CCCC1	REAL300004950732	0	46	-2.0	-122.78	362.26	6.52	-116.26
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=CO3)=NC3=CC=CC=C32)CC1	REAL300004950733	0	45	-2.0	-126.58	375.38	9.39	-117.19
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(O)=C1	REAL300004950734	0	37	-2.0	-124.73	305.38	5.27	-119.46
CC(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950735	0	42	-2.0	-122.46	333.05	9.11	-113.35
CC1=CC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300004950736	0	42	-2.0	-124.07	337.62	9.12	-114.95
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2OCCC3=CC=CC=C32)CC1	REAL300004950737	0	41	-2.0	-126.19	318.47	8.23	-117.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(Cl)O2)CC1	REAL300004950738	0	30	-2.0	-120.81	271.43	6.17	-114.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(Br)C(F)=C2)CC1	REAL300004950739	0	33	-2.0	-116.68	299.83	7.85	-108.83
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(Br)=C1	REAL300004950740	0	37	-2.0	-120.85	321.15	7.04	-113.81
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950741	0	52	-2.0	-123.03	405.39	10.71	-112.32
COC1=CC=C(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004950742	0	50	-2.0	-127.81	374.32	7.92	-119.89
COC1=CC=CC=C1C(C)(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950743	0	46	-2.0	-126.19	339.58	8.41	-117.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=CC([N+](=O)[O-])=N2)CC1	REAL300004950744	0	35	-2.0	-132.04	308.31	7.28	-124.76
CCOCCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCC1	REAL300004950745	0	49	-2.0	-126.15	363.70	7.70	-118.45
CC1=CC(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)S1	REAL300004950746	0	45	-2.0	-122.74	371.32	10.25	-112.49
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCCCCC2)CC1	REAL300004950747	0	45	-2.0	-120.00	328.70	8.85	-111.15
CC1=CC=C2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)SC2=C1	REAL300004950748	0	41	-2.0	-122.98	337.30	9.93	-113.05
NC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300004950749	0	37	-2.0	-122.63	311.44	5.87	-116.76
CN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950750	0	44	-2.0	-127.13	369.13	5.15	-121.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1	REAL300004950751	0	50	-2.0	-122.17	352.58	10.14	-112.03
COC1=CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(OC)=C1OC	REAL300004950752	0	51	-2.0	-124.35	410.94	8.15	-116.20
COC1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950753	0	43	-2.0	-127.94	343.24	9.68	-118.26
CC(C)(C)C1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004950754	0	51	-2.0	-120.61	367.73	9.64	-110.97
CC1=CC(OCCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Cl	REAL300004950755	0	46	-2.0	-123.15	384.46	9.72	-113.43
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300004950756	0	45	-2.0	-120.14	366.60	10.22	-109.92
CC(C)(C)C1=CC=C(OCCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950757	0	55	-2.0	-122.22	424.68	10.89	-111.33
CC(C)COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950758	0	46	-2.0	-122.11	365.79	8.92	-113.19
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1OCC(C)C	REAL300004950759	0	50	-2.0	-121.65	394.95	8.80	-112.85
CCCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950760	0	43	-2.0	-122.03	345.69	8.24	-113.79
CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950761	0	50	-2.0	-131.63	384.71	7.74	-123.89
CCC(OC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950762	0	43	-2.0	-121.78	334.83	9.00	-112.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=CC3=CC=CC=C32)CC1	REAL300004950763	0	43	-2.0	-125.73	351.59	10.44	-115.29
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC=C3)CCCC2)CC1	REAL300004950764	0	46	-2.0	-126.13	341.16	10.31	-115.82
CCC1=CC=CC(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950765	0	43	-2.0	-121.63	348.95	9.53	-112.10
CCOC1=CC=C2OC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C(C)C2=C1	REAL300004950766	0	46	-2.0	-124.75	370.81	8.83	-115.92
CCC1=CC=C2C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=COC2=C1	REAL300004950767	0	45	-2.0	-125.70	368.42	10.02	-115.68
CSC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950768	0	37	-2.0	-127.87	311.62	8.19	-119.68
CC(C)C1=CC=CC=C1OCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950769	0	46	-2.0	-122.27	364.67	10.06	-112.21
CC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004950770	0	42	-2.0	-121.89	335.55	9.38	-112.51
CCCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OCC	REAL300004950771	0	50	-2.0	-121.58	396.71	9.04	-112.54
CC1=CC=C(SCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300004950772	0	43	-2.0	-120.35	355.56	9.93	-110.42
CC12CC3CC(C)(C1)CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)(C3)C2	REAL300004950773	0	53	-2.0	-124.12	369.61	9.86	-114.26
CSC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300004950774	0	39	-2.0	-121.14	336.51	8.71	-112.43
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)CSCC2=CC=C(F)C=C2)CC1	REAL300004950776	0	40	-2.0	-121.06	347.98	9.66	-111.40
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300004950777	0	43	-2.0	-122.80	366.52	9.28	-113.52
COC1=CC(OC)=C2NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC2=C1	REAL300004950778	0	45	-2.0	-122.83	362.73	6.25	-116.58
CC1=C2C(=CC=C1)SC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)=C2Cl	REAL300004950779	0	39	-2.0	-123.62	338.82	9.48	-114.14
CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950780	0	53	-2.0	-133.87	395.54	8.92	-124.95
CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950781	0	46	-2.0	-119.68	360.05	4.97	-114.71
CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950782	0	52	-2.0	-119.31	386.59	6.23	-113.08
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950783	0	55	-2.0	-120.24	411.51	7.32	-112.92
CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950784	0	43	-2.0	-118.73	341.52	4.26	-114.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC=C2C(F)(F)F)CC1	REAL300004950785	0	39	-2.0	-125.74	326.73	8.90	-116.84
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3=CC=CC=C32)CC1	REAL300004950787	0	37	-2.0	-122.59	298.25	8.93	-113.66
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CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950789	0	49	-2.0	-116.65	367.40	6.21	-110.44
CN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(=O)OC(C)(C)C	REAL300004950790	0	46	-2.0	-126.16	362.26	7.16	-119.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC=C2Br)CC1	REAL300004950791	0	33	-2.0	-121.16	309.11	8.29	-112.87
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3NC=CC3=CC=C2)CC1	REAL300004950792	0	37	-2.0	-124.47	306.58	7.29	-117.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C3OCOC3=C2)CC1	REAL300004950793	0	39	-2.0	-125.01	323.70	6.88	-118.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3OCCC3=C2)CC1	REAL300004950794	0	38	-2.0	-122.30	308.79	7.05	-115.25
COC1=C(OC)C=C2NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC2=C1	REAL300004950795	0	45	-2.0	-121.62	362.52	6.87	-114.75
CC1=CC=CC(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950796	0	39	-2.0	-122.75	315.71	8.41	-114.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C(Br)C=C2)CC1	REAL300004950797	0	39	-2.0	-120.18	340.33	9.65	-110.53
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)(C)C	REAL300004950798	0	55	-2.0	-118.67	400.90	6.94	-111.73
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCC1	REAL300004950799	0	53	-2.0	-130.57	393.17	7.55	-123.02
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004950800	0	45	-2.0	-120.16	349.37	9.64	-110.52
COC1=CC=CC(F)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950801	0	37	-2.0	-130.86	312.71	6.77	-124.09
CC(OC1=CC=CC=C1F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950802	0	40	-2.0	-123.62	325.87	8.49	-115.13
CCCCS(=O)(=O)N1CCCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950803	0	50	-2.0	-136.22	395.32	6.90	-129.32
CCCCSCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950804	0	39	-2.0	-119.63	324.66	8.14	-111.49
CC(C)SC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950805	0	43	-2.0	-121.74	350.59	9.58	-112.16
CCC(OC1CCCCC1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950806	0	49	-2.0	-121.65	370.66	9.50	-112.15
CC1=C(C2CC2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=C1	REAL300004950807	0	40	-2.0	-119.89	336.28	9.23	-110.66
CS(=O)(=O)CC1(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004950808	0	42	-2.0	-131.17	347.25	4.88	-126.29
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CC1=CC=C(F)C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950810	0	40	-2.0	-124.28	333.69	8.82	-115.46
CC1=CC=C(SC2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCCC2)C=C1	REAL300004950811	0	50	-2.0	-124.64	384.74	10.96	-113.68
CC1=NN(C)C(C)=C1OCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950812	0	43	-2.0	-123.66	354.88	7.08	-116.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CSCC2=CC=CO2)CC1	REAL300004950813	0	38	-2.0	-123.29	333.80	8.10	-115.19
CSC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(Cl)C=C1Cl	REAL300004950814	0	37	-2.0	-117.39	343.51	9.15	-108.24
COC1=CC=C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004950815	0	44	-2.0	-123.12	356.11	8.17	-114.95
CCC(CC)N1N=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950816	0	45	-2.0	-119.72	349.33	7.98	-111.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(OCC3=CC=CC=C3)CCOCC2)CC1	REAL300004950817	0	51	-2.0	-128.92	387.01	8.30	-120.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CCC(CC2Br)C3)CC1	REAL300004950818	0	40	-2.0	-124.20	317.35	8.25	-115.95
CC(C)COC1=CC=CC(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950819	0	50	-2.0	-124.73	399.50	9.85	-114.88
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CO1	REAL300004950820	0	41	-2.0	-124.08	351.26	3.25	-120.83
CSCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950821	0	40	-2.0	-124.20	339.01	9.08	-115.12
CC1=NN(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300004950822	0	38	-2.0	-119.55	331.69	6.36	-113.19
CCS(=O)(=O)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950823	0	35	-2.0	-134.73	300.62	3.17	-131.56
CC1=NN(C2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)C=C1	REAL300004950824	0	43	-2.0	-130.88	353.11	8.97	-121.91
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950825	0	46	-2.0	-119.58	360.26	4.98	-114.60
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950826	0	53	-2.0	-133.73	395.73	8.92	-124.81
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950827	0	50	-2.0	-131.59	384.81	7.74	-123.85
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950828	0	53	-2.0	-133.72	395.51	8.92	-124.80
COC1=CC=CC(C(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950829	0	43	-2.0	-123.49	343.09	7.93	-115.56
CC1=CC=CC=C1C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCOCC1	REAL300004950830	0	50	-2.0	-122.45	356.48	8.16	-114.29
CC(C)(C)OC(=O)N1CCCC1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950831	0	53	-2.0	-124.51	403.63	8.32	-116.19
CC(C)CCOCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950832	0	42	-2.0	-120.38	332.28	7.64	-112.74
CC1=NC([N+](=O)[O-])=CN1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950833	0	38	-2.0	-125.53	329.65	8.70	-116.83
CC1CCCCC1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950834	0	45	-2.0	-121.30	327.90	8.76	-112.54
CCOC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004950835	0	43	-2.0	-122.21	345.69	8.97	-113.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=NN2C2=CC=CC=C2Cl)CC1	REAL300004950836	0	39	-2.0	-120.61	336.43	7.49	-113.12
CC(=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300004950837	0	43	-2.0	-119.85	364.51	10.46	-109.39
CC1=CC=CC(F)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950838	0	36	-2.0	-126.94	303.01	7.96	-118.98
CS(=O)(=O)CCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950839	0	38	-2.0	-132.99	322.27	3.51	-129.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3COCC3=C2)CC1	REAL300004950840	0	38	-2.0	-122.71	308.89	6.49	-116.22
CC1=CC=CC=C1C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCCC1	REAL300004950841	0	52	-2.0	-124.05	366.46	10.58	-113.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3C=NN=C3)C=C2)CC1	REAL300004950842	0	39	-2.0	-124.08	321.95	10.08	-114.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3C=C(Cl)C=N3)O2)CC1	REAL300004950843	0	40	-2.0	-124.99	355.51	7.79	-117.20
CC(C)(C)OC(=O)N1CSCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950844	0	48	-2.0	-127.08	383.87	7.43	-119.65
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=C(Cl)C=CC=C1Cl	REAL300004950845	0	39	-2.0	-122.16	330.75	9.18	-112.98
CC1=C(C2=CC=C(F)C=C2)SC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004950846	0	43	-2.0	-121.69	367.94	10.55	-111.14
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)(C)C	REAL300004950847	0	55	-2.0	-118.36	400.99	7.18	-111.18
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CCCCC2)=N1	REAL300004950848	0	49	-2.0	-122.30	375.57	8.64	-113.66
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC([N+](=O)[O-])=CC3=C2OCCO3)CC1	REAL300004950849	0	41	-2.0	-125.11	346.59	7.47	-117.64
CN1C=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C21	REAL300004950850	0	46	-2.0	-125.09	373.39	10.80	-114.29
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004950851	0	51	-2.0	-124.75	406.06	7.22	-117.53
CCC(OC1=CC=CC=C1Cl)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950852	0	43	-2.0	-121.56	349.97	9.47	-112.09
COC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(Cl)=C1	REAL300004950853	0	40	-2.0	-123.51	340.99	7.93	-115.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=C3CCCCC3=C2)CC1	REAL300004950854	0	47	-2.0	-123.44	369.28	10.63	-112.81
CC(CSC1=CC=C(F)C=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950855	0	43	-2.0	-118.27	358.45	9.83	-108.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CC3=CC=CC(F)=C3)N=N2)CC1	REAL300004950856	0	42	-2.0	-131.71	359.00	8.03	-123.68
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CNC3=CC=C([N+](=O)[O-])C=C23)CC1	REAL300004950857	0	42	-2.0	-134.48	357.64	8.94	-125.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC23CCCC2=CC=CC=C23)CC1	REAL300004950858	0	47	-2.0	-129.36	355.58	10.90	-118.46
CC1=C(C2=CC=C(F)C=C2)C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004950859	0	43	-2.0	-120.24	367.04	10.48	-109.76
CC(C)CN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C(F)F	REAL300004950860	0	45	-2.0	-124.33	362.17	7.88	-116.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=NN(C3=CC=CC=C3)C=C2)CC1	REAL300004950861	0	43	-2.0	-132.97	355.70	9.39	-123.58
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)S(=O)(=O)C1CCOCC1	REAL300004950862	0	46	-2.0	-132.50	363.89	4.12	-128.38
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CC=CC=C3)CC3CCC2C3)CC1	REAL300004950863	0	53	-2.0	-129.41	378.94	11.22	-118.19
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CC(C)(C)OC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004950928	0	46	-2.0	-122.97	352.58	8.31	-114.66
CCCC(O)(CCC)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950929	0	48	-2.0	-122.55	358.24	7.17	-115.38
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CC(SC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004950947	0	40	-2.0	-120.47	335.67	9.19	-111.28
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CC(C)(C)OC(=O)N1CCOCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951014	0	51	-2.0	-131.35	386.98	6.51	-124.84
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951015	0	53	-2.0	-131.39	393.26	8.66	-122.73
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CCC(SC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951021	0	43	-2.0	-122.20	352.84	9.81	-112.39
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CC(OC1CCCC1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951024	0	43	-2.0	-121.22	330.27	7.99	-113.23
CC1=CC(F)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300004951025	0	36	-2.0	-122.61	306.35	7.99	-114.62
CC(C)(C)C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951026	0	45	-2.0	-124.23	333.74	9.86	-114.37
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CC(OC1CCCCCC1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951028	0	49	-2.0	-120.67	361.62	9.10	-111.57
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CC(C)N1C=NN=C1SCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951030	0	42	-2.0	-126.31	356.33	9.30	-117.01
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CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004951035	1	44	-3.0	-184.38	374.97	5.74	-178.64
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(O)C=C2)CC1	REAL300004951061	0	37	-2.0	-122.26	308.16	5.32	-116.94
CS(=O)CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951062	0	41	-2.0	-129.19	347.79	6.41	-122.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(N3C=CC=C3)C=CS2)CC1	REAL300004951063	0	38	-2.0	-123.98	323.17	9.23	-114.75
CN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1N1C=CC=C1	REAL300004951064	0	41	-2.0	-125.71	339.62	8.55	-117.16
COC1=NC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951065	0	36	-2.0	-125.73	301.15	4.22	-121.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CNN=C3C=C2)CC1	REAL300004951066	0	36	-2.0	-125.16	299.31	5.89	-119.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC3=C2CCCCC3)CC1	REAL300004951067	0	42	-2.0	-127.16	323.16	8.23	-118.93
CCCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004951068	0	39	-2.0	-122.86	317.58	6.48	-116.38
COC1=NC(C)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951069	0	39	-2.0	-124.50	316.53	5.43	-119.07
CC(C)(C)C(=O)NCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951070	0	52	-2.0	-123.59	413.81	8.25	-115.34
CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951071	0	52	-2.0	-126.41	407.12	9.51	-116.90
CC(C)CC(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300004951072	0	49	-2.0	-125.39	391.41	8.33	-117.06
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1N1CCNC1=O	REAL300004951073	0	47	-2.0	-133.18	381.95	5.59	-127.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCCO3)S2)CC1	REAL300004951074	0	40	-2.0	-120.21	336.11	5.30	-114.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CSCC(F)(F)F)CC1	REAL300004951075	0	33	-2.0	-121.93	301.07	7.04	-114.89
COCC1=NC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004951076	0	39	-2.0	-120.05	328.03	4.53	-115.52
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1CC(C)C	REAL300004951077	0	45	-2.0	-124.73	356.91	7.86	-116.87
CS(=O)(=O)NCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004951078	0	41	-2.0	-139.53	354.48	2.43	-137.10
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2C=NN(C)C2=N1	REAL300004951079	0	41	-2.0	-119.72	339.09	6.88	-112.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=CC3=CC=CC=C3C=C2)CC1	REAL300004951080	0	48	-2.0	-125.02	386.65	12.07	-112.95
CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC1=CC=C(Cl)C=C1	REAL300004951081	0	45	-2.0	-120.79	369.42	10.70	-110.09
CC(C)NC(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951082	0	46	-2.0	-125.91	371.46	7.14	-118.77
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)C=C1Br	REAL300004951083	0	39	-2.0	-119.49	330.42	9.01	-110.48
CC1=CSC2=NC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C(=O)N12	REAL300004951084	0	38	-2.0	-135.87	329.63	6.97	-128.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(Br)C(F)=C2)CC1	REAL300004951085	0	36	-2.0	-121.12	324.65	8.89	-112.23
COC1=CC2=C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C2C=C1	REAL300004951086	0	46	-2.0	-130.67	369.65	9.65	-121.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2OC2=CC=CN=C2)CC1	REAL300004951087	0	43	-2.0	-131.44	352.45	9.19	-122.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCNC(=O)C2CCCCC2)CC1	REAL300004951088	0	49	-2.0	-125.62	379.41	6.88	-118.74
CC(C)CN1N=CC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN=C21	REAL300004951089	0	47	-2.0	-122.02	378.19	8.66	-113.36
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(OC3=CC=CC=C3)=C2)CC1	REAL300004951090	0	43	-2.0	-124.57	358.63	7.54	-117.03
CC1=NC(C2=CSC=C2)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951091	0	42	-2.0	-120.78	354.70	8.48	-112.30
CC1=NC(C2=CC=CO2)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951092	0	42	-2.0	-120.91	348.71	7.71	-113.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CNC(=O)C2=CC3=C(CCC3)S2)CC1	REAL300004951093	0	44	-2.0	-122.67	370.00	7.01	-115.66
CNC(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004951094	0	39	-2.0	-120.08	326.61	3.74	-116.34
CN(C)C(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951095	0	43	-2.0	-124.21	340.57	6.72	-117.49
CN(C)C(=O)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951096	0	43	-2.0	-131.29	342.04	6.99	-124.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(C3=CN=CC=N3)=N2)CC1	REAL300004951097	0	37	-2.0	-136.26	327.78	5.09	-131.17
CN1C=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1=O	REAL300004951098	0	36	-2.0	-142.26	298.39	6.05	-136.21
CC1=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C(C3CC3)N=C2C(C)=C1	REAL300004951099	0	51	-2.0	-123.01	402.90	11.00	-112.01
CNS(=O)(=O)C1=CSC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951100	0	38	-2.0	-124.19	340.18	2.29	-121.90
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951101	0	45	-2.0	-128.89	374.62	10.17	-118.72
COC1=CC=C(C2=CN=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)C=C1	REAL300004951102	0	46	-2.0	-122.58	371.51	8.13	-114.45
CC1=CC=CC(C2=CN=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)=C1	REAL300004951103	0	45	-2.0	-122.54	362.87	9.38	-113.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=C2C=CS3)CC1	REAL300004951104	0	40	-2.0	-123.63	326.62	8.82	-114.81
CC1=CC=C(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)S2)O1	REAL300004951105	0	40	-2.0	-122.74	346.95	8.92	-113.82
CN1C(=O)CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1C1=CC=C(F)C=C1	REAL300004951106	0	47	-2.0	-118.83	378.42	8.85	-109.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC(OCC3=CC=CN=C3)=C2)CC1	REAL300004951107	0	49	-2.0	-127.47	403.75	9.71	-117.76
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(Cl)S1	REAL300004951108	0	36	-2.0	-119.50	320.16	8.37	-111.13
CC1=CC=C(CC2=NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)C=C1	REAL300004951109	0	45	-2.0	-133.65	382.12	10.20	-123.45
CCC(C)OC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=N1	REAL300004951110	0	45	-2.0	-122.38	362.59	6.57	-115.81
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(CC3=CC=CC(F)=C3)=N2)CC1	REAL300004951111	0	42	-2.0	-138.48	367.14	9.59	-128.89
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1CCCC1	REAL300004951112	0	46	-2.0	-125.01	359.85	8.36	-116.65
CCC(C)N1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C1CC1	REAL300004951113	0	49	-2.0	-124.77	378.00	8.97	-115.80
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCOC2CCOCC2)CC1	REAL300004951114	0	44	-2.0	-119.16	345.75	5.51	-113.65
CCOC1=CC(Cl)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951115	0	40	-2.0	-122.52	340.44	8.17	-114.35
C=CCOC1=CC(OC)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951116	0	45	-2.0	-126.70	367.65	7.67	-119.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC=CC=C2OCC(F)(F)F)CC1	REAL300004951117	0	39	-2.0	-139.97	336.18	8.20	-131.77
C=CCOC1=CC=CN=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951118	0	40	-2.0	-137.04	329.52	8.32	-128.72
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=CC=C(C)C=C1	REAL300004951119	0	46	-2.0	-133.73	371.42	10.03	-123.70
COC1=CC=C(N2N=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C)C=C1	REAL300004951120	0	47	-2.0	-134.53	379.50	8.64	-125.89
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C(C)C	REAL300004951121	0	42	-2.0	-124.91	336.82	6.99	-117.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC=C2Br)CC1	REAL300004951122	0	32	-2.0	-117.81	281.94	5.91	-111.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC3=CC=CC=C3C=C2)CC1	REAL300004951123	0	38	-2.0	-133.44	313.61	8.41	-125.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2C3=CC=CC=C3OC3=CC=CC=C32)CC1	REAL300004951124	0	45	-2.0	-125.33	360.11	10.21	-115.12
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(OCC3=CC=CC=C3)=C2)CC1	REAL300004951125	0	46	-2.0	-123.35	381.59	7.90	-115.45
COC1=CC=C(C(=O)NCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951126	0	44	-2.0	-120.99	360.90	5.25	-115.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(=O)NC3=CC=CC=C32)CC1	REAL300004951127	0	39	-2.0	-125.11	327.74	6.36	-118.75
COC1=CC=C(C(=O)NCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004951128	0	48	-2.0	-122.38	390.11	5.16	-117.22
CC(C)(C)C1=CC=C(C(=O)NCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951129	0	52	-2.0	-120.47	407.60	8.26	-112.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3CCCC3=NC3=CC=CC=C32)CC1	REAL300004951130	0	45	-2.0	-125.18	362.59	9.50	-115.68
CCOC1=CC=CC=C1C(=O)NCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951131	0	47	-2.0	-126.78	381.16	7.47	-119.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CNC(=O)C2=CC=CS2)CC1	REAL300004951132	0	37	-2.0	-121.94	324.13	4.99	-116.95
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CNC(=O)C2=CC=CC(F)=C2)CC1	REAL300004951133	0	40	-2.0	-122.18	338.39	6.06	-116.12
COC1=CC=CC(C(=O)NCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951134	0	44	-2.0	-124.48	361.46	5.29	-119.19
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CNC(=O)C2=CC=C3OCOC3=C2)CC1	REAL300004951135	0	43	-2.0	-121.82	357.51	4.61	-117.21
CCOC1=CC=C(C(=O)NCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951136	0	47	-2.0	-122.14	383.24	6.24	-115.90
CC1=CC(C(=O)NCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300004951137	0	45	-2.0	-119.24	375.63	7.13	-112.11
CC1=CC(Br)=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951138	0	39	-2.0	-120.87	335.70	9.33	-111.54
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C1=CC=CC=N1	REAL300004951139	0	46	-2.0	-125.47	370.49	8.83	-116.64
CC1=CN(CC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NO2)N=C1	REAL300004951140	0	42	-2.0	-130.56	354.74	7.56	-123.00
CC1(C2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)NC(=O)NC1=O	REAL300004951141	0	45	-2.0	-124.71	367.25	3.94	-120.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3=CC=CN=C3)C=C2)CC1	REAL300004951142	0	43	-2.0	-125.31	357.81	8.32	-116.99
CC(=O)NC1=CC=C(F)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951143	0	40	-2.0	-125.38	331.34	6.11	-119.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CN=C2SC(F)(F)F)CC1	REAL300004951144	0	36	-2.0	-121.81	327.35	7.49	-114.32
CC(C)(CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004951145	0	48	-2.0	-122.60	366.57	10.38	-112.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=CC=CO3)NC2=O)CC1	REAL300004951146	0	40	-2.0	-142.45	333.35	5.75	-136.70
CN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C1CC1	REAL300004951147	0	40	-2.0	-125.56	326.01	6.89	-118.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(N3CCOCC3)C=C2)CC1	REAL300004951148	0	50	-2.0	-123.77	389.68	7.48	-116.29
CC1=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C(C3CC3)N=C2C=C1	REAL300004951149	0	48	-2.0	-123.69	384.11	10.29	-113.40
COC1=NC=NC(OC)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951150	0	39	-2.0	-125.75	331.08	2.44	-123.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC3=CC=CN=C32)CC1	REAL300004951151	0	38	-2.0	-131.28	320.64	7.82	-123.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C23)CC1	REAL300004951152	0	40	-2.0	-124.15	338.66	8.37	-115.78
CC1=CC=C(OCC2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)C=N1	REAL300004951153	0	49	-2.0	-127.02	399.91	9.28	-117.74
CC(=CC1=CC=CC=C1Cl)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951154	0	40	-2.0	-123.00	339.66	9.58	-113.42
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Cl	REAL300004951155	0	37	-2.0	-118.84	318.34	7.05	-111.79
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951156	0	40	-2.0	-122.83	332.32	9.36	-113.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NN2C2CCCC2)CC1	REAL300004951157	0	43	-2.0	-119.99	335.97	7.88	-112.11
CN1N=CC=C1CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951158	0	39	-2.0	-120.37	318.80	6.53	-113.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3C=CNC3=N2)CC1	REAL300004951159	0	36	-2.0	-131.52	298.90	7.31	-124.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC=C3)C=N2)CC1	REAL300004951160	0	39	-2.0	-132.57	326.48	9.75	-122.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC=NC=C2Cl)CC1	REAL300004951161	0	31	-2.0	-121.63	277.83	6.47	-115.16
CC1=NC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C2C=C1	REAL300004951162	0	41	-2.0	-135.91	335.84	8.37	-127.54
CC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)S1	REAL300004951163	0	35	-2.0	-131.11	295.98	6.51	-124.60
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2COC3=CC=C(F)C=C3C2)CC1	REAL300004951164	0	41	-2.0	-119.13	334.60	8.01	-111.12
CC1=CC(Cl)=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951165	0	36	-2.0	-120.25	311.04	8.36	-111.89
CC1=NC(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004951166	0	41	-2.0	-124.77	346.29	7.48	-117.29
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)O1	REAL300004951167	0	41	-2.0	-126.65	352.42	2.31	-124.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(C3CCCO3)=N2)CC1	REAL300004951168	0	40	-2.0	-129.65	336.06	5.99	-123.66
CCOCCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCC1	REAL300004951169	0	46	-2.0	-124.99	346.19	7.44	-117.55
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CC=C1C1=CC=CC=N1	REAL300004951170	0	45	-2.0	-129.88	358.18	10.23	-119.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CSCCS2)CC1	REAL300004951171	0	38	-2.0	-121.93	319.55	8.03	-113.90
CCC1=NNC(=O)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1CC	REAL300004951172	0	44	-2.0	-130.00	352.89	5.78	-124.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CCC(F)(F)F)C=C2)CC1	REAL300004951173	0	42	-2.0	-123.18	355.41	9.80	-113.38
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C3NC=CC3=C2)CC1	REAL300004951174	0	43	-2.0	-125.16	350.40	9.07	-116.09
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NC2=CC=CC=C21	REAL300004951175	0	41	-2.0	-123.66	329.72	7.93	-115.73
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951176	0	35	-2.0	-122.96	307.55	5.71	-117.25
COC1=CC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1F	REAL300004951177	0	41	-2.0	-123.28	342.15	8.11	-115.17
COC1=C(F)C=CC(F)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951178	0	37	-2.0	-126.71	322.44	6.94	-119.77
CC1=CC(Cl)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004951179	0	39	-2.0	-123.98	328.38	8.94	-115.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3C=CSC3=C2)CC1	REAL300004951180	0	35	-2.0	-122.24	303.90	6.53	-115.71
COC1=CC=C(C2=NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C(C)O2)C=C1	REAL300004951181	0	46	-2.0	-128.69	379.18	7.05	-121.64
CC1=C(C)N2C(=NC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=O)S1	REAL300004951182	0	41	-2.0	-136.44	337.42	7.57	-128.87
CC(C)OC1=CN=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951183	0	42	-2.0	-117.93	334.28	6.18	-111.75
COC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004951184	0	40	-2.0	-121.36	324.40	8.02	-113.34
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC(C2CC2)=N1	REAL300004951185	0	39	-2.0	-121.67	320.63	5.36	-116.31
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCC1	REAL300004951186	0	45	-2.0	-122.94	320.78	8.13	-114.81
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCCCC1	REAL300004951187	0	45	-2.0	-122.92	301.63	7.80	-115.12
CC1=NC(CC(C)C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004951188	0	44	-2.0	-121.65	358.40	7.85	-113.80
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCCCCC2)CC1	REAL300004951189	0	45	-2.0	-122.00	318.13	8.39	-113.61
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(Br)=C2Cl)CC1	REAL300004951190	0	33	-2.0	-122.00	307.76	8.26	-113.74
CNC(=O)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951191	0	40	-2.0	-131.16	329.29	5.47	-125.69
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC(C2=CC=CC=C2)=N1	REAL300004951192	0	42	-2.0	-123.65	348.13	6.65	-117.00
CC(C)(C)C(=O)NC1=CC=C(F)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951193	0	49	-2.0	-124.19	390.39	8.13	-116.06
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300004951194	0	39	-2.0	-120.02	333.06	9.23	-110.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3CC3)=NC3=CC=C(F)C=C32)CC1	REAL300004951195	0	45	-2.0	-122.70	369.13	9.70	-113.00
C=CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004951196	0	43	-2.0	-119.62	346.50	10.01	-109.61
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3CCCCC3C2)CC1	REAL300004951197	0	49	-2.0	-120.72	360.74	9.98	-110.74
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300004951198	0	42	-2.0	-124.91	348.37	9.35	-115.56
CC(C)(C)C1CCC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004951199	0	54	-2.0	-121.53	386.28	10.49	-111.04
CC(CCCC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951200	0	48	-2.0	-120.54	375.45	10.81	-109.73
CCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300004951201	0	42	-2.0	-119.98	337.77	9.33	-110.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CN=CC(F)=C2)CC1	REAL300004951202	0	38	-2.0	-120.89	320.30	7.31	-113.58
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951203	0	42	-2.0	-119.82	348.07	9.68	-110.14
CN1C(=O)NC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C21	REAL300004951204	0	40	-2.0	-121.14	329.16	5.98	-115.16
CC1(C)CCC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004951205	0	48	-2.0	-120.05	350.96	9.35	-110.70
CC(C)CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(=O)N1	REAL300004951206	0	45	-2.0	-125.98	362.55	7.28	-118.70
CC(C)C1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004951207	0	38	-2.0	-119.50	321.32	6.39	-113.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(=O)NC3CC3)C=C2)CC1	REAL300004951208	0	44	-2.0	-122.99	361.52	7.23	-115.76
CC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951209	0	46	-2.0	-119.37	351.24	3.32	-116.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=CC=N3)=CC=C2Cl)CC1	REAL300004951210	0	42	-2.0	-132.68	360.94	9.61	-123.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(OC3CCC3)=C2)CC1	REAL300004951211	0	43	-2.0	-122.31	347.94	6.42	-115.89
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1N1C=NN=N1	REAL300004951212	0	42	-2.0	-122.50	348.21	6.90	-115.60
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC(=O)NCC(F)(F)F)CC1	REAL300004951213	0	36	-2.0	-127.85	314.52	5.56	-122.29
CC(C)OC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004951214	0	42	-2.0	-129.28	336.66	6.87	-122.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC3=C(C=CC4=C3C=CC=C4)O2)CC1	REAL300004951215	0	45	-2.0	-129.10	372.13	11.05	-118.05
CC1=CC(N2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2=O)=CC=C1F	REAL300004951216	0	47	-2.0	-129.38	374.37	8.98	-120.40
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951217	0	43	-2.0	-125.84	353.67	8.52	-117.32
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951218	0	45	-2.0	-123.20	376.98	8.16	-115.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C3=COC=C3)=C2)CC1	REAL300004951219	0	40	-2.0	-124.83	331.09	8.77	-116.06
CCN1N=CC=C1C=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951220	0	40	-2.0	-122.18	330.85	7.23	-114.95
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951221	0	50	-2.0	-125.94	402.90	11.17	-114.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NC(C4CC4)=NO3)C=C2)CC1	REAL300004951222	0	45	-2.0	-121.80	377.24	8.11	-113.69
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(SC2=CC=CC=C2)=C1	REAL300004951223	0	47	-2.0	-129.42	392.96	11.92	-117.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(OC3CCOC3)=C2)CC1	REAL300004951224	0	44	-2.0	-122.65	357.19	4.49	-118.16
CC1=CC=C(SC2CCCC2)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951225	0	50	-2.0	-128.71	394.22	11.50	-117.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3N=S=NC3=C2)CC1	REAL300004951226	0	34	-2.0	-119.88	295.56	5.43	-114.45
CCC1=NN(C)C(Cl)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951227	0	39	-2.0	-121.02	339.49	6.87	-114.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)CC1	REAL300004951228	0	47	-2.0	-127.14	384.31	9.20	-117.94
COC1=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C(C3CC3)N=C2C=C1	REAL300004951229	0	49	-2.0	-127.32	392.20	8.93	-118.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC=C3F)C(=O)C=C2)CC1	REAL300004951230	0	42	-2.0	-127.17	357.48	8.40	-118.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(OC3CCCCC3)=C2)CC1	REAL300004951231	0	49	-2.0	-122.55	383.46	7.69	-114.86
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951232	0	44	-2.0	-123.02	364.72	10.00	-113.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3CCCC3)N=C2)CC1	REAL300004951233	0	46	-2.0	-120.47	365.02	6.97	-113.50
CC(C)COC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300004951234	0	45	-2.0	-117.67	379.37	6.91	-110.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CN=C2C2=CC=CC=C2)CC1	REAL300004951235	0	41	-2.0	-123.05	339.40	8.55	-114.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC(C3=CC=C4OCCC4=C3)=C2)CC1	REAL300004951236	0	47	-2.0	-124.71	378.00	8.69	-116.02
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951237	0	47	-2.0	-128.12	395.29	5.24	-122.88
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=CC=CC(Cl)=C1	REAL300004951238	0	43	-2.0	-129.21	366.74	9.87	-119.34
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=CC(C)=CC(C)=C1	REAL300004951239	0	49	-2.0	-133.28	394.42	10.72	-122.56
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CS2)=N1	REAL300004951240	0	40	-2.0	-127.25	347.87	7.69	-119.56
CN1C(=O)CCC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300004951241	0	44	-2.0	-123.20	349.47	8.10	-115.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(CC3=CC=CC=C3)S2)CC1	REAL300004951242	0	42	-2.0	-120.13	360.44	8.81	-111.32
CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951243	0	48	-2.0	-135.86	373.87	6.24	-129.62
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951244	0	42	-2.0	-129.76	354.97	5.60	-124.16
COC1=C2C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CNC2=CC=C1	REAL300004951245	0	44	-2.0	-129.42	357.69	7.61	-121.81
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=CC=CC=C1Cl	REAL300004951246	0	43	-2.0	-137.40	366.96	10.10	-127.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2COC3=CC=C(Br)C=C32)CC1	REAL300004951247	0	38	-2.0	-121.95	324.39	7.87	-114.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C(F)C=C3F)CCC2)CC1	REAL300004951248	0	43	-2.0	-119.21	335.30	9.55	-109.66
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C(F)C=C3F)CCCC2)CC1	REAL300004951249	0	46	-2.0	-119.67	343.02	10.04	-109.63
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951250	0	48	-2.0	-129.07	401.20	7.45	-121.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC3=CC(Cl)=CC=C3C=C2)CC1	REAL300004951251	0	38	-2.0	-133.42	330.29	8.92	-124.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(Br)N=CS2)CC1	REAL300004951252	0	29	-2.0	-118.09	277.84	4.85	-113.24
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951253	0	46	-2.0	-120.20	364.61	10.16	-110.04
COCCOC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=N1	REAL300004951254	0	43	-2.0	-122.39	355.40	4.12	-118.27
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951255	0	42	-2.0	-128.65	361.06	9.70	-118.95
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(OCC3CC3)C(Cl)=C2)CC1	REAL300004951256	0	43	-2.0	-117.72	369.46	7.01	-110.71
CN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)S(=O)(=O)C1=CC=CN=C1	REAL300004951257	0	43	-2.0	-123.54	366.23	4.10	-119.44
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC2=CC=CC=C12	REAL300004951258	0	41	-2.0	-133.21	331.86	8.94	-124.27
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951259	0	40	-3.0	-184.36	349.47	4.18	-180.18
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1CC1=CC=CC=C1	REAL300004951260	0	49	-2.0	-125.24	395.03	9.93	-115.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(F)C=C3NC(=O)CCC3=C2)CC1	REAL300004951261	0	41	-2.0	-122.77	334.20	6.32	-116.45
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CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951263	0	46	-3.0	-192.75	386.00	5.80	-186.95
C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951264	0	49	-2.0	-119.41	373.95	6.77	-112.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC3=CC=CC=C32)CC1	REAL300004951265	0	38	-2.0	-127.33	309.06	7.51	-119.82
CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(F)C=C1F	REAL300004951266	0	42	-2.0	-121.52	343.91	9.55	-111.97
CC(C)CN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C1CC1	REAL300004951267	0	49	-2.0	-124.92	374.76	8.72	-116.20
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1CC(C)C	REAL300004951268	0	48	-2.0	-125.11	376.47	8.55	-116.56
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CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004951270	0	43	-2.0	-129.80	358.63	9.97	-119.83
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)O2)=C1	REAL300004951271	0	49	-2.0	-129.93	393.80	11.11	-118.82
CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1S(C)(=O)=O	REAL300004951272	0	45	-2.0	-132.41	361.06	6.08	-126.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(Cl)C=N2)CC1	REAL300004951273	0	32	-2.0	-124.84	284.51	6.74	-118.10
CC1=CC(F)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951274	0	36	-2.0	-119.24	297.41	7.91	-111.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=C2OCC(=O)N3)CC1	REAL300004951275	0	39	-2.0	-126.86	324.86	4.70	-122.16
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951276	0	48	-2.0	-130.15	397.44	7.26	-122.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(Br)C=CO2)CC1	REAL300004951277	0	30	-2.0	-122.93	272.87	6.08	-116.85
CC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=N1	REAL300004951278	0	37	-2.0	-116.78	302.38	5.64	-111.14
CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1Cl	REAL300004951279	0	36	-2.0	-124.51	308.08	8.30	-116.21
CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951280	0	40	-2.0	-124.05	339.60	6.54	-117.51
CC(C)[C@H]1CC[C@H](C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004951281	0	48	-2.0	-120.60	354.17	9.36	-111.24
COC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004951282	0	36	-2.0	-126.87	297.68	5.03	-121.84
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CCOC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300004951288	0	39	-2.0	-117.66	337.77	5.42	-112.24
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CCOC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=N1	REAL300004951290	0	39	-2.0	-121.71	321.69	4.84	-116.87
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C(C2=CC=CC=C2F)O1	REAL300004951291	0	42	-2.0	-138.02	351.63	8.03	-129.99
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CC1=NC(C2=CC=CC=C2)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004951302	0	42	-2.0	-124.06	360.94	8.80	-115.26
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004951303	0	39	-2.0	-121.58	310.35	8.56	-113.02
COC1=CC=C(C(=O)CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951304	0	45	-2.0	-122.79	368.07	8.12	-114.67
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Cl	REAL300004951305	0	36	-2.0	-119.50	307.56	8.27	-111.23
CC1=CC(Cl)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951306	0	36	-2.0	-119.38	307.73	8.35	-111.03
COC1=CC=C(C(=O)CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300004951307	0	45	-2.0	-124.95	374.85	8.25	-116.70
COC1=C(C)C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004951308	0	43	-2.0	-121.98	344.10	8.00	-113.98
CC(C)OC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951309	0	47	-2.0	-123.50	376.05	9.56	-113.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC=C3[N+](=O)[O-])C=C2)CC1	REAL300004951310	0	42	-2.0	-146.20	357.85	10.10	-136.10
COC1=CC=C(C(=O)CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951311	0	48	-2.0	-129.19	389.57	8.91	-120.28
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1	REAL300004951312	0	38	-2.0	-125.39	322.48	8.53	-116.86
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=C2CCC3)CC1	REAL300004951313	0	40	-2.0	-125.19	318.67	9.09	-116.10
CC(C)OCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951314	0	42	-2.0	-121.12	334.43	6.74	-114.38
C[C@H](C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004951315	0	39	-2.0	-121.90	311.86	8.61	-113.29
CO[C@@H](C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004951316	0	40	-2.0	-120.68	323.62	7.96	-112.72
CCN(CC)C(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951317	0	49	-2.0	-125.78	382.35	8.84	-116.94
CC1=CC=C(Cl)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951318	0	36	-2.0	-122.63	308.61	8.32	-114.31
CC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(C)C)=N1	REAL300004951319	0	43	-2.0	-119.05	344.98	7.09	-111.96
CN1C=C([N+](=O)[O-])C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004951320	0	35	-2.0	-134.48	299.55	7.18	-127.30
CC1=CC=CC(C)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951321	0	42	-2.0	-122.54	331.65	9.28	-113.26
CCCCCCC(CC)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951322	0	50	-2.0	-120.23	373.77	9.84	-110.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3CCC3)C=C2)CC1	REAL300004951323	0	43	-2.0	-122.13	339.19	9.82	-112.31
CCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(OC)C=C1	REAL300004951324	0	46	-2.0	-122.19	360.86	8.56	-113.63
CC1=CC=C(CC(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951325	0	45	-2.0	-119.75	356.21	10.00	-109.75
CC(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004951326	0	39	-2.0	-122.37	325.09	8.32	-114.05
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCOCC1	REAL300004951327	0	43	-2.0	-120.31	321.50	6.28	-114.03
COCCOC1=CC=C(Cl)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951328	0	44	-2.0	-130.90	374.71	7.53	-123.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2CCCOC2)CC1	REAL300004951329	0	43	-2.0	-121.55	330.90	6.82	-114.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC23CCC2=CC=CC=C23)CC1	REAL300004951330	0	44	-2.0	-122.76	348.58	10.65	-112.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC23CCS(=O)(=O)CC3)CC1	REAL300004951331	0	43	-2.0	-132.20	347.33	5.03	-127.17
CCSC1=CC(Cl)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951332	0	40	-2.0	-121.90	349.16	9.49	-112.41
CCC1=CC=C(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951333	0	48	-2.0	-128.87	358.53	10.15	-118.72
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(OC(C)C)=C1	REAL300004951334	0	47	-2.0	-127.05	370.23	8.34	-118.71
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(OCC2CC2)=C1	REAL300004951335	0	48	-2.0	-127.36	385.41	8.58	-118.78
CCC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(OC)C=C1	REAL300004951336	0	49	-2.0	-121.80	381.66	9.42	-112.38
CS(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004951337	0	36	-2.0	-131.39	325.13	3.72	-127.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=CC=N2)CC1	REAL300004951338	0	38	-2.0	-123.77	313.21	7.26	-116.51
CC1=NN(C)C2=NC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C12	REAL300004951339	0	41	-2.0	-118.19	337.21	6.83	-111.36
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3C=NC=N3)N=C2)CC1	REAL300004951340	0	38	-2.0	-119.95	323.16	9.06	-110.89
CC1=NC(COC2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)=NO1	REAL300004951341	0	45	-2.0	-130.05	374.97	5.97	-124.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=N2)CC1	REAL300004951342	0	35	-2.0	-124.77	306.19	7.25	-117.52
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CN=C2N2C=CC=N2)CC1	REAL300004951343	0	39	-2.0	-133.36	325.34	7.94	-125.42
CC1=NN(C)C(=O)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004951344	0	41	-2.0	-131.47	334.45	5.71	-125.76
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(=O)NC(C(C)(C)C)=N1	REAL300004951345	0	47	-2.0	-131.14	374.65	6.51	-124.63
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004951345	1	46	-3.0	-195.55	373.59	5.45	-190.10
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951346	0	38	-2.0	-132.03	319.43	9.30	-122.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC=CC3=CC=CC=C32)CC1	REAL300004951347	0	38	-2.0	-129.93	317.43	7.61	-122.32
CCC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951348	0	39	-2.0	-124.53	312.26	8.57	-115.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(F)C(F)=C2)CC1	REAL300004951349	0	36	-2.0	-121.55	310.35	8.34	-113.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=C(F)C=CC=C2F)CC1	REAL300004951350	0	36	-2.0	-124.27	307.76	8.23	-116.04
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CC1=NOC(C2=CC=CC=C2)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951352	0	42	-2.0	-121.18	350.39	9.06	-112.12
CC1=CC(C)=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300004951353	0	45	-2.0	-122.86	353.13	9.91	-112.95
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1F	REAL300004951354	0	37	-2.0	-118.91	308.55	6.56	-112.35
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2OC(F)(F)F)CC1	REAL300004951355	0	37	-2.0	-124.59	318.99	7.25	-117.34
CN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C1=CC=CC=C1	REAL300004951356	0	43	-2.0	-125.14	346.76	8.27	-116.87
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(Cl)C(F)=C2)CC1	REAL300004951357	0	33	-2.0	-116.88	295.42	7.75	-109.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CSC3=CC=C(Cl)C=C23)CC1	REAL300004951358	0	39	-2.0	-124.03	350.77	10.09	-113.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC=C2Cl)CC1	REAL300004951359	0	32	-2.0	-118.09	278.05	5.81	-112.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CN=C2C(F)(F)F)CC1	REAL300004951360	0	35	-2.0	-124.98	303.39	6.46	-118.52
CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1Br	REAL300004951361	0	36	-2.0	-124.25	311.51	8.39	-115.86
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC(F)=C2F)CC1	REAL300004951362	0	36	-2.0	-126.46	309.39	8.31	-118.15
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(Br)=C1	REAL300004951363	0	36	-2.0	-122.10	313.13	8.39	-113.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(F)C=C2F)CC1	REAL300004951364	0	36	-2.0	-122.54	309.46	8.32	-114.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300004951365	0	37	-2.0	-121.07	318.84	6.99	-114.08
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951366	0	37	-2.0	-116.96	313.91	6.61	-110.35
CC(=O)C1=CNC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951367	0	36	-2.0	-125.70	300.04	5.96	-119.74
CC1=NC(C2=CC=CS2)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951368	0	42	-2.0	-120.11	356.59	8.63	-111.48
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951369	0	45	-2.0	-121.17	363.85	9.57	-111.60
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C2C=NN(C(C)C)C2=N1	REAL300004951370	0	47	-2.0	-120.54	379.02	8.56	-111.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3CCC4=C3C2=CC=C4)CC1	REAL300004951371	0	43	-2.0	-127.89	338.27	10.46	-117.43
COC1=CC2=NC(C)=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C=C1	REAL300004951372	0	45	-2.0	-122.10	362.69	7.54	-114.56
CC1=NOC2=NC(C(C)C)=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300004951373	0	46	-2.0	-116.19	368.64	5.99	-110.20
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2C=NN(C(C)C)C2=N1	REAL300004951374	0	47	-2.0	-121.01	382.08	8.52	-112.49
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300004951375	0	44	-2.0	-118.65	370.17	5.93	-112.72
COC1=CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C2C=C1	REAL300004951376	0	42	-2.0	-130.36	342.94	7.71	-122.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(C3=CC=C(Cl)C=C3)=C2)CC1	REAL300004951377	0	39	-2.0	-123.65	345.49	9.36	-114.29
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC3=CC=CN=C32)CC1	REAL300004951378	0	41	-2.0	-130.30	337.65	8.74	-121.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(C=CC4=C3C=CC=C4)N2)CC1	REAL300004951379	0	43	-2.0	-123.14	350.28	9.94	-113.20
COC1=CC=C(SC)C(OC)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951380	0	45	-2.0	-132.73	378.44	7.22	-125.51
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951381	0	45	-2.0	-127.53	379.81	6.63	-120.90
CC1=CC(C)=C(Br)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951382	0	39	-2.0	-124.04	331.95	9.03	-115.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(NC(=O)C3=CC=CN=C3)=CC=C2)CC1	REAL300004951383	0	46	-2.0	-134.86	378.75	7.42	-127.44
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004951384	0	45	-2.0	-122.32	368.14	9.16	-113.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC3=CC=CC=C3)N=C2)CC1	REAL300004951385	0	46	-2.0	-120.54	381.65	7.91	-112.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CN=C2OCC(F)(F)F)CC1	REAL300004951386	0	39	-2.0	-126.28	336.36	6.20	-120.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3=CC=CC=C3)N=C2)CC1	REAL300004951387	0	43	-2.0	-121.37	359.03	7.55	-113.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=CC=C2Br)CC1	REAL300004951388	0	37	-2.0	-122.72	326.47	8.74	-113.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(C=CC=C3)C3=C2N=CC=C3)CC1	REAL300004951389	0	44	-2.0	-134.78	352.85	9.90	-124.88
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(Cl)C3=CC=CN=C23)CC1	REAL300004951390	0	38	-2.0	-126.91	327.99	8.12	-118.79
CN(C1=CC=CC=C1)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004951391	0	47	-2.0	-122.38	380.80	9.61	-112.77
O=C(COC1=CC=CC=C1)NCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951392	0	44	-2.0	-123.43	365.03	6.51	-116.92
CC(NC(=O)C1=CC=CO1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951393	0	40	-2.0	-121.36	333.66	4.57	-116.79
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1C1=CC=CC=C1C	REAL300004951394	0	50	-2.0	-128.15	400.05	12.10	-116.05
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC2=C1C=CC1=C2C=CC=C1	REAL300004951395	0	45	-2.0	-130.34	365.10	10.89	-119.45
CC1=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C(C)N=C2C=C1	REAL300004951396	0	44	-2.0	-122.30	354.69	8.76	-113.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCNS(=O)(=O)C2=CC=CC=C2)CC1	REAL300004951397	0	44	-2.0	-125.84	373.28	4.53	-121.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CCC(=O)N2C2=CC=CC=C2S3)CC1	REAL300004951398	0	43	-2.0	-124.50	357.08	8.37	-116.13
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC1CCCC1	REAL300004951399	0	51	-2.0	-122.86	397.42	9.32	-113.54
CCCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=CC=C1	REAL300004951400	0	49	-2.0	-125.57	393.27	10.27	-115.30
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=C1C(=O)CC(C)(C)C2	REAL300004951401	0	49	-2.0	-128.12	384.63	8.16	-119.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2OC3=CC=CC=C3NC2=O)CC1	REAL300004951402	0	42	-2.0	-124.30	345.96	6.25	-118.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3CC3)=NC3=CC=CC=C32)CC1	REAL300004951403	0	45	-2.0	-121.88	361.37	9.52	-112.36
CC(C)C1=NC2=CC=CC=C2C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951404	0	47	-2.0	-122.62	373.08	9.43	-113.19
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCCS2(=O)=O)CC1	REAL300004951405	0	39	-2.0	-133.95	314.91	4.48	-129.47
CC(=O)C1=C(C)NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C(C)C	REAL300004951406	0	48	-2.0	-122.21	376.99	8.18	-114.03
CC1=NOC(C)=C1C(C)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951407	0	44	-2.0	-120.90	343.97	8.06	-112.84
CC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300004951408	0	42	-2.0	-129.13	354.93	6.57	-122.56
COC1=C(Br)SC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951409	0	34	-2.0	-116.16	314.40	6.21	-109.95
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951410	0	49	-2.0	-123.69	396.34	9.82	-113.87
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951411	0	43	-2.0	-140.52	357.56	10.03	-130.49
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1CCOCC1	REAL300004951412	0	47	-2.0	-125.63	369.38	6.47	-119.16
CCC(CC)N1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004951413	0	48	-2.0	-132.69	376.29	9.09	-123.60
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC2C2=CC=CC=C2Cl)CC1	REAL300004951414	0	40	-2.0	-124.43	339.24	9.95	-114.48
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951415	0	43	-2.0	-132.24	355.58	9.61	-122.63
CCOC1=C(Cl)C=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951416	0	43	-2.0	-125.40	365.34	9.10	-116.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CC(C3=CC=CC=C3)C2)CC1	REAL300004951417	0	46	-2.0	-122.50	361.38	10.74	-111.76
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951418	0	45	-2.0	-130.54	371.86	6.04	-124.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C3CCOC3)=C2)CC1	REAL300004951419	0	44	-2.0	-122.99	346.90	7.78	-115.21
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004951420	0	45	-2.0	-128.93	368.87	5.89	-123.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3CCCN3N=C2)CC1	REAL300004951421	0	37	-2.0	-126.73	299.92	5.75	-120.98
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC2=CC(F)=CC=C12	REAL300004951422	0	39	-2.0	-122.53	332.49	9.26	-113.27
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951423	0	47	-2.0	-127.35	387.67	4.78	-122.57
COC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCCC1	REAL300004951424	0	43	-2.0	-121.23	312.17	6.60	-114.63
COC1=CC2=CC=C([C@H](C)C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C=C1	REAL300004951425	0	49	-2.0	-123.92	387.31	10.09	-113.83
C[C@@H](C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004951426	0	39	-2.0	-121.66	310.38	8.53	-113.13
CC[C@H]1CC[C@H](C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004951427	0	45	-2.0	-120.30	337.96	8.92	-111.38
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C(F)F)=C2)CC1	REAL300004951428	0	36	-2.0	-126.94	306.99	8.12	-118.82
COC1=CC=C(F)C=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951429	0	40	-2.0	-124.06	332.36	7.64	-116.42
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=CC=C(C)C=C21	REAL300004951430	0	43	-2.0	-121.60	345.20	8.94	-112.66
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C(C(C)C)O1	REAL300004951431	0	42	-2.0	-122.28	337.42	8.31	-113.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(C(F)(F)F)=N2)CC1	REAL300004951432	0	32	-2.0	-129.94	298.12	6.10	-123.84
CC(CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004951433	0	45	-2.0	-120.91	354.32	10.11	-110.80
CC1=CC=C2C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CSC2=C1	REAL300004951434	0	39	-2.0	-124.33	331.08	9.28	-115.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C(F)(F)F)N=C2)CC1	REAL300004951435	0	34	-2.0	-112.89	301.72	5.43	-107.46
CCC1=CC=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951436	0	42	-2.0	-122.56	333.29	9.36	-113.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(F)(F)F)SC=N2)CC1	REAL300004951437	0	32	-2.0	-126.07	299.86	5.40	-120.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)C2CC2)CC1	REAL300004951438	0	43	-2.0	-121.82	345.74	10.13	-111.69
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=C(F)C=CC=C1F	REAL300004951439	0	39	-2.0	-124.02	316.91	8.51	-115.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CNC3=CC=C(Cl)C=C23)CC1	REAL300004951440	0	40	-2.0	-128.08	346.35	8.78	-119.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3CC3)=NO2)CC1	REAL300004951441	0	36	-2.0	-120.24	300.95	6.92	-113.32
CC(CC1=CC=CC=C1Cl)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951442	0	42	-2.0	-122.12	347.54	9.69	-112.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(Cl)S2)CC1	REAL300004951443	0	33	-2.0	-120.32	304.91	7.95	-112.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CC=CC=C3F)CC2)CC1	REAL300004951444	0	43	-2.0	-133.15	348.75	10.06	-123.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2CCOCC2)CC1	REAL300004951445	0	46	-2.0	-120.29	351.96	7.54	-112.75
COC1=CC=CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1F	REAL300004951446	0	43	-2.0	-125.57	353.30	8.32	-117.25
CCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCCC1	REAL300004951447	0	45	-2.0	-123.55	318.04	8.03	-115.52
CC1(C)CCCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004951448	0	45	-2.0	-121.16	332.91	8.54	-112.62
CC1=CC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(C)=C1	REAL300004951449	0	43	-2.0	-122.09	348.81	9.97	-112.12
CCOC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCC1	REAL300004951450	0	43	-2.0	-123.17	326.78	7.07	-116.10
CC(C)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CO1	REAL300004951451	0	39	-2.0	-123.82	315.39	7.47	-116.35
CC(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300004951452	0	42	-2.0	-119.64	346.64	9.53	-110.11
CC1(C)CCCCC1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951453	0	48	-2.0	-121.21	344.21	9.12	-112.09
COCC1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951454	0	43	-2.0	-125.14	352.70	7.94	-117.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3C=CCCC3=C2)CC1	REAL300004951455	0	41	-2.0	-123.75	328.05	9.57	-114.18
CSC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1F	REAL300004951456	0	37	-2.0	-118.27	318.79	8.24	-110.03
CC(C)(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(F)(F)F	REAL300004951457	0	38	-2.0	-115.79	305.27	7.33	-108.46
CC(OC1=CC=CC2=CC=CC=C21)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951458	0	46	-2.0	-123.35	364.65	10.71	-112.64
COC1=CC=C(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(OC)=C1	REAL300004951459	0	50	-2.0	-126.05	398.33	8.46	-117.59
COC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=C(F)C=C1	REAL300004951460	0	41	-2.0	-123.74	339.85	7.01	-116.73
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)O2)C=C1	REAL300004951461	0	52	-2.0	-127.96	409.73	11.53	-116.43
CS(=O)(=O)C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCC1	REAL300004951462	0	39	-2.0	-126.78	306.46	4.06	-122.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC1	REAL300004951463	0	44	-2.0	-130.81	362.77	7.70	-123.11
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC(C(F)(F)F)=N1	REAL300004951464	0	37	-2.0	-125.32	325.19	7.01	-118.31
CC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Br	REAL300004951465	0	39	-2.0	-122.44	337.13	9.40	-113.04
COC1=CC=C(F)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1OC	REAL300004951466	0	41	-2.0	-130.24	345.39	6.77	-123.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300004951467	0	45	-2.0	-123.89	379.27	10.80	-113.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=CC(F)=CC=C2F)CC1	REAL300004951468	0	42	-2.0	-123.69	352.40	9.91	-113.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2COC2CCOCC2)CC1	REAL300004951469	0	51	-2.0	-122.50	399.70	8.37	-114.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CC2)CC1	REAL300004951470	0	43	-2.0	-123.49	360.58	10.08	-113.41
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(OCCC(C)C)=C1	REAL300004951471	0	53	-2.0	-126.87	415.31	9.19	-117.68
CCCOC1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951472	0	46	-2.0	-122.96	370.00	9.20	-113.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC(OCC(F)(F)F)=C2)CC1	REAL300004951473	0	43	-2.0	-124.39	368.07	8.86	-115.53
CC(C)CC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951474	0	51	-2.0	-121.18	400.19	11.71	-109.47
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(OCC(C)C)=C1	REAL300004951475	0	50	-2.0	-127.45	396.35	8.57	-118.88
CCCN1C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC2=CC=CC=C21	REAL300004951476	0	46	-2.0	-123.97	364.47	10.37	-113.60
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951477	0	45	-2.0	-129.13	373.30	4.56	-124.57
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC=C3C=C2OC(F)F)CC1	REAL300004951478	0	43	-2.0	-126.05	359.26	9.43	-116.62
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1C	REAL300004951479	0	42	-2.0	-122.93	344.26	7.73	-115.20
CCCOC1=CC(OC)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951480	0	47	-2.0	-126.65	376.25	7.88	-118.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(COC3=CC=CC=C3F)=C2)CC1	REAL300004951481	0	43	-2.0	-130.80	366.59	8.56	-122.24
COC1=CC=C(CC(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004951482	0	50	-2.0	-121.81	390.08	8.39	-113.42
CCCCS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951483	0	48	-2.0	-125.40	398.00	7.21	-118.19
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1F	REAL300004951484	0	42	-2.0	-123.31	339.67	9.01	-114.30
COC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951485	0	37	-2.0	-120.72	333.69	7.74	-112.98
CC1=CC=CC(OC2=CC=CC=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951486	0	47	-2.0	-130.85	383.43	11.03	-119.82
CCC(C)(C)C1CCC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004951487	0	57	-2.0	-121.49	393.46	10.76	-110.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CC=CC=C3Cl)CC2)CC1	REAL300004951488	0	43	-2.0	-129.41	351.30	10.82	-118.59
CS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951489	0	42	-2.0	-136.28	346.00	5.67	-130.61
COC1=CC=C(OC)C(C2CC2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951490	0	48	-2.0	-126.82	374.40	8.03	-118.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CC=CC(F)=C3)CCC2)CC1	REAL300004951491	0	46	-2.0	-135.82	357.20	10.11	-125.71
CCC1=CC=C2OC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300004951492	0	42	-2.0	-124.71	344.54	9.14	-115.57
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2CCC(F)(F)F)CC1	REAL300004951493	0	42	-2.0	-124.18	350.61	9.61	-114.57
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(F)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300004951494	0	39	-2.0	-118.39	338.68	9.23	-109.16
CC(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1[N+](=O)[O-]	REAL300004951495	0	44	-2.0	-119.98	356.79	9.66	-110.32
CC(C)(COCC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951496	0	49	-2.0	-119.55	380.24	8.97	-110.58
CC1=C(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C2=CC=CC=C2)O1	REAL300004951497	0	46	-2.0	-128.27	375.15	10.53	-117.74
CC1=CC2=C(C=C1C)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CO2	REAL300004951498	0	44	-2.0	-124.70	341.50	8.46	-116.24
CC(C)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC=C1	REAL300004951499	0	39	-2.0	-124.41	312.57	7.42	-116.99
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)CC1	REAL300004951500	0	42	-2.0	-123.84	362.45	9.27	-114.57
CC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951501	0	38	-2.0	-136.91	321.54	8.85	-128.06
CC(C)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004951502	0	38	-2.0	-125.04	312.78	7.29	-117.75
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(F)C(Cl)=C2)CC1	REAL300004951503	0	33	-2.0	-116.90	295.42	7.75	-109.15
COC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1[N+](=O)[O-]	REAL300004951504	0	39	-2.0	-132.08	328.59	7.71	-124.37
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Br	REAL300004951505	0	36	-2.0	-119.16	312.92	8.41	-110.75
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(F)C=C2Cl)CC1	REAL300004951506	0	36	-2.0	-121.38	317.92	8.71	-112.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300004951507	0	40	-2.0	-120.25	343.14	7.97	-112.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC(F)=CC=C2Br)CC1	REAL300004951508	0	36	-2.0	-121.50	321.76	8.77	-112.73
CC1=C(Cl)C=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951509	0	36	-2.0	-120.72	305.82	8.24	-112.48
COC1=CC=C2OCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2=C1	REAL300004951510	0	45	-2.0	-121.35	357.43	7.22	-114.13
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(C)=C1F	REAL300004951511	0	39	-2.0	-119.09	319.89	8.52	-110.57
CCC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004951512	0	40	-2.0	-125.55	332.47	8.50	-117.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(C(F)(F)F)=C2)CC1	REAL300004951513	0	36	-2.0	-117.17	328.35	8.69	-108.48
CCC(CC1=CC=CC=C1C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951514	0	48	-2.0	-123.69	364.79	10.50	-113.19
CC(=O)NC1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951515	0	43	-2.0	-125.13	353.72	7.03	-118.10
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C(Br)O1	REAL300004951516	0	33	-2.0	-117.74	293.70	6.73	-111.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC(F)C2)CC1	REAL300004951517	0	39	-2.0	-121.94	303.71	7.69	-114.25
C=CCCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004951518	0	39	-2.0	-129.40	327.00	6.28	-123.12
C=CCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCOCC1	REAL300004951519	0	44	-2.0	-121.37	322.86	6.23	-115.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)CC1	REAL300004951520	0	46	-2.0	-120.85	341.87	9.30	-111.55
CC1=C(Cl)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C	REAL300004951521	0	36	-2.0	-130.22	309.83	6.56	-123.66
CC1=C(F)C=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951522	0	36	-2.0	-120.74	297.08	7.85	-112.89
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004951523	0	36	-2.0	-124.78	324.41	3.69	-121.09
CC(C)(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300004951524	0	44	-2.0	-128.91	343.82	8.57	-120.34
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951525	0	41	-2.0	-126.24	338.59	9.10	-117.14
CN1N=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C21	REAL300004951526	0	42	-2.0	-128.65	347.59	8.09	-120.56
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1N1C=CC=N1	REAL300004951527	0	43	-2.0	-122.20	352.33	9.33	-112.87
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC3=CC=NC=C3)C=C2)CC1	REAL300004951528	0	46	-2.0	-124.85	378.98	8.72	-116.13
CC1=C(Br)C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004951529	0	33	-2.0	-118.99	305.33	7.60	-111.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(OC3=CC=CC=C3)CC2)CC1	REAL300004951530	0	41	-2.0	-121.62	332.45	8.30	-113.32
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=C(F)C=CC=C3F)CCC2)CC1	REAL300004951531	0	43	-2.0	-126.28	338.21	9.32	-116.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC3=CN=CC=C3C=C2)CC1	REAL300004951532	0	37	-2.0	-131.40	308.47	6.65	-124.75
CC1=C2OC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=CC=C1	REAL300004951533	0	39	-2.0	-123.04	320.67	8.25	-114.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(N3C=NN=C3)C=C2)CC1	REAL300004951534	0	42	-2.0	-125.23	348.06	11.15	-114.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=CC(OC(F)F)=C2)CC1	REAL300004951535	0	43	-2.0	-123.68	358.30	8.61	-115.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC(C3=C(F)C=CC=C3F)=N2)CC1	REAL300004951536	0	39	-2.0	-134.62	339.23	7.32	-127.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN3CCCC3=N2)CC1	REAL300004951537	0	37	-2.0	-135.91	299.61	7.68	-128.23
CC1=CSC(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004951538	0	41	-2.0	-125.34	347.12	7.51	-117.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC3=CC=C(F)C=C23)CC1	REAL300004951539	0	36	-2.0	-123.93	308.55	7.81	-116.12
CC1CCN2N=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2C1	REAL300004951540	0	43	-2.0	-124.89	338.39	7.21	-117.68
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC(Cl)=C3S2)CC1	REAL300004951541	0	36	-2.0	-124.93	326.72	9.14	-115.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2N=NN=C2C2=CSC=C2)CC1	REAL300004951542	0	38	-2.0	-122.98	331.66	6.09	-116.89
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=NN1C1=CC=C(F)C(F)=C1	REAL300004951543	0	42	-2.0	-130.64	354.98	8.04	-122.60
CN1N=C(C2CC2)N=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951544	0	42	-2.0	-126.40	346.22	7.66	-118.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=CC=NC=C32)CC1	REAL300004951545	0	38	-2.0	-128.24	312.58	7.65	-120.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)CC1	REAL300004951546	0	44	-2.0	-136.88	341.45	8.98	-127.90
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCC2=CC=CC=C21	REAL300004951547	0	43	-2.0	-123.66	328.88	9.22	-114.44
CC1=CC=C(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2)C=C1	REAL300004951548	0	46	-2.0	-124.21	353.31	10.00	-114.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC=C3F)CCC2)CC1	REAL300004951549	0	43	-2.0	-126.18	337.47	9.36	-116.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=CC3=CC=C(F)C=C32)CC1	REAL300004951550	0	40	-2.0	-125.88	337.22	9.71	-116.17
CC1=NC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C(Cl)C=C2C=C1	REAL300004951551	0	41	-2.0	-132.56	353.56	8.90	-123.66
CSC1=CC=C(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951552	0	46	-2.0	-122.17	380.26	10.79	-111.38
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCCC2C2CC2)CC1	REAL300004951553	0	46	-2.0	-123.43	338.63	9.48	-113.95
C=CCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004951554	0	36	-2.0	-129.79	305.49	5.52	-124.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=CC(Br)=CC=C32)CC1	REAL300004951555	0	40	-2.0	-120.92	337.99	9.70	-111.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C3OCCCC3=C2)CC1	REAL300004951556	0	44	-2.0	-123.98	351.34	8.85	-115.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2COCCN2CC(F)(F)F)CC1	REAL300004951557	0	42	-2.0	-122.56	326.54	3.51	-119.05
CC(C)(C)N1C=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004951558	0	41	-2.0	-131.94	330.42	8.33	-123.61
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=C3C=CC=CN3N=C2)CC1	REAL300004951559	0	39	-2.0	-128.11	325.38	8.02	-120.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3CCOCC3=C2)CC1	REAL300004951560	0	38	-2.0	-129.95	308.14	4.80	-125.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=NC=NC=C3C2)CC1	REAL300004951561	0	41	-2.0	-120.47	325.69	7.70	-112.77
CCCC1=CC=C(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951562	0	51	-2.0	-122.73	404.92	12.03	-110.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=CC=CC=C3)N=C2)CC1	REAL300004951563	0	42	-2.0	-124.29	343.85	8.95	-115.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC(CC(F)(F)F)=C2)CC1	REAL300004951564	0	42	-2.0	-125.50	358.61	9.99	-115.51
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1N1CCOCC1	REAL300004951565	0	49	-2.0	-121.83	380.41	7.39	-114.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3CCC3)N=N2)CC1	REAL300004951566	0	39	-2.0	-128.77	316.61	6.10	-122.67
CC1(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1(F)Cl	REAL300004951567	0	36	-2.0	-123.06	308.17	7.78	-115.28
CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951568	0	45	-2.0	-120.30	346.29	9.07	-111.23
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951569	0	38	-2.0	-125.02	327.07	2.14	-122.88
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004951570	0	35	-2.0	-128.52	311.06	0.55	-127.97
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C	REAL300004951571	0	37	-2.0	-127.25	299.40	3.91	-123.34
CC1(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCCC1	REAL300004951572	0	45	-2.0	-121.00	325.42	8.75	-112.25
CC1=CC=CC(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N2C)=C1	REAL300004951573	0	47	-2.0	-123.82	368.15	10.45	-113.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=CC=CC=C3C2)CC1	REAL300004951574	0	43	-2.0	-121.46	336.98	9.78	-111.68
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COCCC2=CC=CC(F)=C2)CC1	REAL300004951575	0	43	-2.0	-123.23	360.02	9.48	-113.75
CC(COCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004951576	0	46	-2.0	-121.34	369.94	9.89	-111.45
COCCN1C=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004951577	0	40	-2.0	-131.09	330.53	5.47	-125.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=C(O)C=CC=C32)CC1	REAL300004951578	0	44	-2.0	-123.71	343.84	6.85	-116.86
CCC1CCCCC1OCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951579	0	49	-2.0	-123.32	370.24	9.64	-113.68
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(CC3=CC=CC=C3F)S2)CC1	REAL300004951580	0	42	-2.0	-122.75	365.98	8.86	-113.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2CCCCCC2)CC1	REAL300004951581	0	46	-2.0	-121.66	345.57	9.53	-112.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCS(=O)(=O)N2)CC1	REAL300004951582	0	35	-2.0	-126.93	293.56	0.69	-126.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1	REAL300004951583	0	41	-2.0	-121.95	305.69	8.27	-113.68
CC1=CC=CC=C1N1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C(C)C	REAL300004951584	0	52	-2.0	-125.23	402.42	10.82	-114.41
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=CC=C1C	REAL300004951585	0	49	-2.0	-125.13	389.02	10.43	-114.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(Cl)C=C3)C=C2)CC1	REAL300004951586	0	40	-2.0	-131.55	348.21	9.48	-122.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=CC(Cl)=C3)N=N2)CC1	REAL300004951587	0	39	-2.0	-128.28	343.74	7.99	-120.29
CC1=NN(C(C)(C)C)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951588	0	45	-2.0	-121.93	355.75	7.55	-114.38
COCCOC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951589	0	47	-2.0	-123.59	382.13	7.67	-115.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(N3C=NN=N3)CCCCC2)CC1	REAL300004951590	0	44	-2.0	-122.81	332.92	7.77	-115.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC=C3Cl)CCC2)CC1	REAL300004951591	0	43	-2.0	-124.18	343.44	9.68	-114.50
CC1(C)COC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C21	REAL300004951592	0	44	-2.0	-128.35	347.85	8.14	-120.21
CN(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300004951593	0	41	-2.0	-121.40	334.19	6.77	-114.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=C2OCCCO3)CC1	REAL300004951594	0	42	-2.0	-126.20	335.89	7.43	-118.77
CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1C=CN=C1	REAL300004951595	0	39	-2.0	-120.49	315.20	8.16	-112.33
CC1=NN=NN1C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951596	0	41	-2.0	-125.34	339.47	7.22	-118.12
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=CC=C3CCCCC3=C2)CC1	REAL300004951597	0	52	-2.0	-123.56	403.24	12.30	-111.26
CC(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300004951598	0	41	-2.0	-129.28	327.72	8.16	-121.12
CSC1=CC=CN=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951599	0	36	-2.0	-134.38	302.13	7.26	-127.12
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951600	0	49	-2.0	-125.22	391.98	9.40	-115.82
CCN1C=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004951601	0	39	-2.0	-129.77	321.19	6.85	-122.92
CC1=CC=C(C2=NC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)S2)C=C1C	REAL300004951602	0	45	-2.0	-121.56	375.11	9.28	-112.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C3OC(F)(F)OC3=C2)CC1	REAL300004951603	0	42	-2.0	-121.96	358.65	8.13	-113.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(F)F)N(C3=CC=CC=C3)N=N2)CC1	REAL300004951604	0	42	-2.0	-125.10	351.55	8.04	-117.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3(CC3(F)F)CC2)CC1	REAL300004951605	0	43	-2.0	-125.49	331.13	8.74	-116.75
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)F)C=C2F)CC1	REAL300004951606	0	36	-2.0	-123.77	313.18	8.12	-115.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2OCC3=CC(Cl)=CC=C32)CC1	REAL300004951607	0	41	-2.0	-122.91	348.86	8.70	-114.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC(F)(F)F)O2)CC1	REAL300004951608	0	37	-2.0	-119.55	328.79	7.26	-112.29
CC1=C(C2=CC=CC=C2)SC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951609	0	43	-2.0	-123.60	361.30	10.46	-113.14
CC1=NN(C(C)C)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951610	0	42	-2.0	-121.69	337.30	6.93	-114.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=C(Cl)C=CC=C2Cl)CC1	REAL300004951611	0	39	-2.0	-121.44	346.64	9.82	-111.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)F)N=C2)CC1	REAL300004951612	0	35	-2.0	-118.07	302.29	6.29	-111.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3OCCOC3=CS2)CC1	REAL300004951613	0	36	-2.0	-126.17	308.15	4.76	-121.41
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951614	0	46	-2.0	-123.42	382.88	11.26	-112.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=C(F)C=CC=C2F)CC1	REAL300004951615	0	42	-2.0	-125.13	351.16	9.86	-115.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC=C2C(F)(F)F)CC1	REAL300004951616	0	35	-2.0	-122.72	296.08	6.19	-116.53
CC1=CC=C(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCOCC2)C=C1C	REAL300004951617	0	53	-2.0	-123.79	387.59	9.14	-114.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C(C(F)(F)F)C=C3)CCC2)CC1	REAL300004951618	0	46	-2.0	-122.83	370.64	10.33	-112.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCCC2N2C=CC=N2)CC1	REAL300004951619	0	46	-2.0	-127.20	351.38	8.41	-118.79
CC(C)C1CCC(C)CC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951620	0	51	-2.0	-123.04	367.74	9.69	-113.35
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CN3CCCCC3=N2)CC1	REAL300004951621	0	43	-2.0	-132.47	340.63	8.52	-123.95
CC(=CC1=CC=NC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951622	0	39	-2.0	-121.71	310.47	7.09	-114.62
CC(=CC1=CC=CC=N1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951623	0	39	-2.0	-123.30	321.81	8.40	-114.90
CC(=CC1=CC=CN=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951624	0	39	-2.0	-122.27	310.80	7.11	-115.16
CC(=CC1=CC=CO1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951625	0	37	-2.0	-125.62	297.35	7.19	-118.43
CC(C)(C)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951626	0	45	-2.0	-123.20	349.01	9.51	-113.69
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C3CC3)=C2)CC1	REAL300004951627	0	40	-2.0	-123.22	321.36	9.27	-113.95
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3OCCOC3=N2)CC1	REAL300004951628	0	38	-2.0	-133.15	311.80	4.59	-128.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=CC=C(F)C=C2)CC1	REAL300004951629	0	42	-2.0	-121.20	346.45	9.83	-111.37
CS(=O)(=O)N1CCC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004951630	0	47	-2.0	-126.50	371.86	4.90	-121.60
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2OCC3=CC=CC=C32)CC1	REAL300004951631	0	41	-2.0	-124.77	332.05	8.35	-116.42
COC1=CC=C2CCCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300004951632	0	47	-2.0	-130.54	364.16	8.95	-121.59
COC1=CN2N=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2C=C1	REAL300004951633	0	40	-2.0	-125.90	326.97	6.13	-119.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2CCCCCC2)CC1	REAL300004951634	0	48	-2.0	-119.03	350.40	9.55	-109.48
CC1(C)CC2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2O1	REAL300004951635	0	44	-2.0	-129.74	348.55	8.41	-121.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCS2(=O)=O)CC1	REAL300004951636	0	36	-2.0	-130.53	296.99	4.36	-126.17
CN(C)C1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300004951637	0	40	-2.0	-117.68	340.79	6.39	-111.29
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951638	0	46	-2.0	-126.25	372.99	9.20	-117.05
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC(=O)C2=CC=CC=C12	REAL300004951639	0	42	-2.0	-122.58	345.03	6.77	-115.81
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300004951640	0	39	-2.0	-120.03	328.50	9.13	-110.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC2C2CCCC2)CC1	REAL300004951641	0	43	-2.0	-122.13	333.93	9.26	-112.87
COC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(F)(F)F	REAL300004951642	0	36	-2.0	-118.12	305.14	6.06	-112.06
CSCC1(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004951643	0	40	-2.0	-122.32	329.62	8.36	-113.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2C3CC4CC(C3)CC2C4)CC1	REAL300004951644	0	50	-2.0	-122.12	351.42	9.99	-112.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3=CC=CC(Cl)=C3)S2)CC1	REAL300004951645	0	39	-2.0	-119.64	353.90	8.56	-111.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CN=CC=C3C=C2)CC1	REAL300004951646	0	38	-2.0	-122.86	314.61	7.70	-115.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=CC=CC=N3)N=C2)CC1	REAL300004951647	0	41	-2.0	-123.02	342.05	7.57	-115.45
CC(C)CN1N=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951648	0	42	-2.0	-119.84	324.04	7.07	-112.77
COC1=CC=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951649	0	36	-2.0	-127.74	297.11	5.49	-122.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=C(F)C=C3)N=C2)CC1	REAL300004951650	0	40	-2.0	-122.58	337.45	8.39	-114.19
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(SC(F)(F)F)=C2)CC1	REAL300004951651	0	37	-2.0	-119.76	329.24	8.64	-111.12
CC(C)(C)N1N=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004951652	0	40	-2.0	-125.09	327.26	5.51	-119.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC23CCCCC2C3(F)F)CC1	REAL300004951653	0	43	-2.0	-119.27	334.45	9.00	-110.27
CC1=CC(Br)=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004951654	0	39	-2.0	-121.88	330.18	9.02	-112.86
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)CC1	REAL300004951655	0	49	-2.0	-120.32	366.66	10.25	-110.07
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951656	0	47	-2.0	-123.98	370.46	9.98	-114.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(OCC3=CC=CC=C3)C=C2)CC1	REAL300004951657	0	50	-2.0	-124.64	408.90	11.50	-113.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=NN2C2=CC=CC=C2)CC1	REAL300004951658	0	39	-2.0	-119.34	317.88	6.83	-112.51
CC(C)(CC(F)(F)F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951659	0	38	-2.0	-116.83	294.66	6.62	-110.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2COCC2C2=CC=CC=C2)CC1	REAL300004951660	0	44	-2.0	-120.51	335.82	7.48	-113.03
CN1N=CC(C2CC2)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951661	0	40	-2.0	-120.15	330.52	7.20	-112.95
CC1(C)OCC2CC21C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951662	0	41	-2.0	-120.32	313.82	6.07	-114.25
CN1C=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004951663	0	36	-2.0	-131.11	306.84	5.20	-125.91
COC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCC(F)(F)CC1	REAL300004951664	0	43	-2.0	-118.29	322.73	6.62	-111.67
CC1(C)CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC(C)(C)C1	REAL300004951665	0	51	-2.0	-119.91	366.35	9.36	-110.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=C(C3CC3)C=N2)CC1	REAL300004951666	0	40	-2.0	-126.75	329.15	7.73	-119.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=C2COCC3)CC1	REAL300004951667	0	41	-2.0	-125.85	325.49	7.29	-118.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3(CC3(F)F)C2)CC1	REAL300004951668	0	37	-2.0	-123.21	309.41	8.03	-115.18
CC1=CC(F)=CC(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951669	0	39	-2.0	-119.74	322.61	8.52	-111.22
CN1N=CC(C2CCC2)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951670	0	43	-2.0	-121.01	347.11	7.70	-113.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(N3C=NN=N3)CC2)CC1	REAL300004951671	0	35	-2.0	-120.53	297.12	5.57	-114.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=CNC3=NC=N2)CC1	REAL300004951672	0	35	-2.0	-131.00	291.79	7.15	-123.85
CCCCCC1=NNC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951673	0	45	-2.0	-116.77	358.98	7.69	-109.08
CCCCCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1	REAL300004951673	1	45	-2.0	-127.64	360.85	7.90	-119.74
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1C1CCOCC1	REAL300004951674	0	51	-2.0	-129.21	378.83	8.42	-120.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C(Cl)=CC=CN3N=C2)CC1	REAL300004951675	0	36	-2.0	-129.80	313.47	7.39	-122.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3=NOC=C3)OC=N2)CC1	REAL300004951676	0	35	-2.0	-137.94	299.49	4.67	-133.27
CC(C)C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951677	0	42	-2.0	-124.04	329.72	8.98	-115.06
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951678	0	41	-2.0	-123.14	344.61	7.21	-115.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(Br)C=C2F)CC1	REAL300004951679	0	36	-2.0	-122.47	324.35	8.88	-113.59
CC(=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CO1	REAL300004951680	0	37	-2.0	-122.19	305.37	7.53	-114.66
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC(Cl)=CC=C3S2)CC1	REAL300004951681	0	36	-2.0	-119.89	326.41	9.07	-110.82
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951682	0	44	-2.0	-123.13	354.49	8.83	-114.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C(=O)C3=CC=CO3)=CC=C2)CC1	REAL300004951683	0	42	-2.0	-123.27	350.82	8.79	-114.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(C3CCCCC3)C=C2)CC1	REAL300004951684	0	52	-2.0	-122.57	399.49	12.03	-110.54
COCC1=CN=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951685	0	39	-2.0	-121.88	322.78	5.12	-116.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C(F)(F)F)CCCCC2)CC1	REAL300004951686	0	42	-2.0	-124.02	315.03	7.76	-116.26
CCCCC(C)(F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951687	0	41	-2.0	-118.59	318.01	7.73	-110.86
COC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951688	0	40	-2.0	-121.96	328.32	7.62	-114.34
CC1=NNC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C12	REAL300004951689	0	39	-2.0	-122.04	321.47	6.48	-115.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC(C3=CC=CN=C3)=N2)CC1	REAL300004951690	0	38	-2.0	-132.37	325.20	5.12	-127.25
COCCCN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CC1=O	REAL300004951691	0	45	-2.0	-123.35	369.61	5.54	-117.81
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300004951692	0	47	-2.0	-121.40	377.36	8.70	-112.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CF)C=C2)CC1	REAL300004951693	0	36	-2.0	-122.94	300.88	8.01	-114.93
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300004951694	0	40	-2.0	-118.36	339.79	7.59	-110.77
COC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCOC1	REAL300004951695	0	41	-2.0	-121.28	317.20	4.90	-116.38
CC(C)(C)N1N=NC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004951696	0	43	-2.0	-127.58	351.00	5.80	-121.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3COCCC3=C2)CC1	REAL300004951697	0	41	-2.0	-123.01	326.61	7.29	-115.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2CC2(F)F)CC1	REAL300004951698	0	36	-2.0	-122.73	303.74	7.75	-114.98
COCCCOCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951699	0	43	-2.0	-121.34	348.32	5.15	-116.19
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1C=CC=N1	REAL300004951700	0	39	-2.0	-127.43	302.91	6.30	-121.13
COC1=CC=C(OC(C)(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951701	0	47	-2.0	-124.10	360.13	7.24	-116.86
CC(C)CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300004951702	0	48	-2.0	-119.41	379.68	10.70	-108.71
COC1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1Cl	REAL300004951703	0	40	-2.0	-126.90	340.67	7.99	-118.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(N3C=NN=N3)CCOCC2)CC1	REAL300004951704	0	42	-2.0	-121.26	324.68	5.32	-115.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3C=CC=NC3=N2)CC1	REAL300004951705	0	34	-2.0	-139.09	291.01	8.21	-130.88
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=CSC3=NC=N2)CC1	REAL300004951706	0	34	-2.0	-125.07	295.93	7.34	-117.73
CC(C)(OC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951707	0	43	-2.0	-121.80	324.23	8.27	-113.53
CC1=CC=CC=C1C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCC1	REAL300004951708	0	46	-2.0	-123.30	343.76	9.70	-113.60
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(C=CC4=C3C=CC=C4)O2)CC1	REAL300004951709	0	42	-2.0	-127.15	347.47	10.10	-117.05
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004951710	0	39	-2.0	-131.30	335.04	3.75	-127.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CSC=C3S2)CC1	REAL300004951711	0	33	-2.0	-125.93	300.04	7.53	-118.40
CC1=CC=CC=C1CC(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951712	0	45	-2.0	-119.38	349.63	9.77	-109.61
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC(C(F)F)=C1	REAL300004951713	0	36	-2.0	-122.84	306.28	7.25	-115.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2C3CC4=C(Cl)C=CC=C4C32)CC1	REAL300004951714	0	41	-2.0	-124.07	339.82	10.44	-113.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3CC3)C=C2)CC1	REAL300004951715	0	40	-2.0	-122.55	320.81	9.26	-113.29
COC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCC1	REAL300004951716	0	43	-2.0	-121.83	324.83	7.34	-114.49
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951717	0	43	-2.0	-122.33	342.81	10.05	-112.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3=CC=CC=C3CO2)CC1	REAL300004951718	0	41	-2.0	-122.85	326.34	8.53	-114.32
COC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCCC1	REAL300004951719	0	46	-2.0	-121.58	342.22	8.14	-113.44
CC(CC1=CC=CO1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951720	0	39	-2.0	-120.86	316.06	7.54	-113.32
CC1CC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C2O1	REAL300004951721	0	41	-2.0	-121.54	329.93	7.82	-113.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3(C2)CCCCC3)CC1	REAL300004951722	0	46	-2.0	-121.13	343.62	9.38	-111.75
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC3=CC=CC=C32)CC1	REAL300004951723	0	39	-2.0	-125.33	335.17	9.98	-115.35
COCC1=CSC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951724	0	37	-2.0	-122.84	318.43	5.94	-116.90
CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCO1	REAL300004951725	0	43	-2.0	-122.07	327.60	6.91	-115.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(Cl)=C2Cl)CC1	REAL300004951726	0	40	-2.0	-124.87	350.76	10.64	-114.23
CC1=CC=C2OC=C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300004951727	0	42	-2.0	-126.14	346.95	9.25	-116.89
COC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300004951728	0	40	-2.0	-119.85	330.85	8.09	-111.76
CCCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300004951729	0	45	-2.0	-121.73	369.60	10.55	-111.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3=C(Cl)C=CC=C32)CC1	REAL300004951730	0	37	-2.0	-120.61	319.22	9.25	-111.36
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=CSN=N3)C=C2)CC1	REAL300004951731	0	38	-2.0	-124.70	330.43	7.27	-117.43
CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CO1	REAL300004951732	0	39	-2.0	-119.73	315.96	7.67	-112.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=CC=CC=C3CC2)CC1	REAL300004951733	0	46	-2.0	-121.84	351.46	10.21	-111.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC(C2CCC2)C2CCC2)CC1	REAL300004951734	0	49	-2.0	-123.04	359.88	10.34	-112.70
CC1=CC=C(COC(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951735	0	46	-2.0	-124.21	368.84	9.73	-114.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3CC3(F)F)C=C2)CC1	REAL300004951736	0	41	-2.0	-122.91	345.89	8.33	-114.58
CCCC(OCC)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951737	0	42	-2.0	-120.02	326.87	7.43	-112.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC(F)(F)F)C(Cl)=C2)CC1	REAL300004951738	0	37	-2.0	-116.13	334.78	7.52	-108.61
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Br	REAL300004951739	0	37	-2.0	-118.78	322.73	7.16	-111.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2C3CC4=CC=CC=C4C32)CC1	REAL300004951740	0	41	-2.0	-122.91	331.25	10.05	-112.86
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1OC(F)(F)F	REAL300004951741	0	40	-2.0	-118.82	338.82	7.73	-111.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2COC3=CC(F)=CC=C3C2)CC1	REAL300004951742	0	41	-2.0	-117.32	330.61	7.83	-109.49
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C(S(C)(=O)=O)O1	REAL300004951743	0	39	-2.0	-130.64	336.60	3.69	-126.95
CC1=CC=CC=C1COC(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951744	0	46	-2.0	-122.73	363.70	9.74	-112.99
CCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCC(F)(F)CC1	REAL300004951745	0	45	-2.0	-121.68	329.28	8.23	-113.45
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951746	0	36	-2.0	-116.87	319.53	6.06	-110.81
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2OCCO[C@@H]2C2=CC=CC=C2)CC1	REAL300004951747	0	45	-2.0	-122.93	338.82	8.09	-114.84
CC1=CCC(C)(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004951748	0	43	-2.0	-123.68	317.85	8.21	-115.47
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951749	0	43	-2.0	-119.98	337.77	6.99	-112.99
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(C(F)(F)F)=C2)CC1	REAL300004951750	0	33	-2.0	-120.84	302.94	7.32	-113.52
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[C@@H](C3=CC=CC=C3)C2)CC1	REAL300004951751	0	46	-2.0	-121.79	353.46	10.36	-111.43
COCCCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004951752	0	43	-2.0	-125.40	351.25	5.55	-119.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3CC3)N=C2)CC1	REAL300004951753	0	37	-2.0	-124.26	304.75	6.44	-117.82
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1CCOCC1	REAL300004951754	0	47	-2.0	-135.80	369.67	7.11	-128.69
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004951755	0	43	-2.0	-130.23	362.12	7.60	-122.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC=C3)CCCCCC2)CC1	REAL300004951756	0	52	-2.0	-123.84	360.35	10.89	-112.95
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(F)(F)F)SC=C2)CC1	REAL300004951757	0	33	-2.0	-124.31	300.34	7.25	-117.06
CC1=NN(C2CCOCC2)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951758	0	47	-2.0	-119.53	366.37	6.58	-112.95
CCOC1=CC=CC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951759	0	44	-2.0	-122.67	357.34	8.87	-113.80
COC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951760	0	41	-2.0	-122.51	335.42	7.98	-114.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3CCCCN3C=C2)CC1	REAL300004951761	0	41	-2.0	-129.79	322.13	8.55	-121.24
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004951762	0	42	-2.0	-125.09	369.01	8.59	-116.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3C(C2)C3(F)F)CC1	REAL300004951763	0	40	-2.0	-122.55	311.64	8.17	-114.38
CC(F)(F)C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004951764	0	36	-2.0	-118.61	293.94	6.92	-111.69
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C(F)(F)F)CCOCC2)CC1	REAL300004951765	0	40	-2.0	-118.54	305.13	5.37	-113.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3CC3)N=N2)CC1	REAL300004951766	0	36	-2.0	-129.53	300.93	5.64	-123.89
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004951767	0	44	-2.0	-129.82	351.74	4.01	-125.81
COC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC(F)F	REAL300004951768	0	44	-2.0	-127.94	366.14	7.71	-120.23
CC1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1Br	REAL300004951769	0	39	-2.0	-123.76	334.05	9.31	-114.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC3=C2COCC3)CC1	REAL300004951770	0	37	-2.0	-126.06	302.11	5.41	-120.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC(F)=CC(F)=C3)CCCC2)CC1	REAL300004951771	0	46	-2.0	-126.01	354.55	10.49	-115.52
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004951772	0	40	-2.0	-133.45	352.35	4.51	-128.94
CCCC1CCCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951773	0	45	-2.0	-122.03	338.26	8.98	-113.05
CC1=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1C1=CC=CC=C1	REAL300004951774	0	50	-2.0	-127.58	404.12	12.20	-115.38
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(Cl)SC=C2)CC1	REAL300004951775	0	30	-2.0	-122.03	274.82	6.65	-115.38
CSC1=CC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004951776	0	37	-2.0	-120.16	317.37	7.40	-112.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=CSC3=CN=C2)CC1	REAL300004951777	0	35	-2.0	-122.23	303.81	6.59	-115.64
CCOC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCOCC1	REAL300004951778	0	44	-2.0	-122.01	331.23	5.28	-116.73
CC1=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(C)=C1	REAL300004951779	0	42	-2.0	-123.03	340.45	9.54	-113.49
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2C3CCCCCCC32)CC1	REAL300004951780	0	46	-2.0	-121.32	341.48	9.59	-111.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=NN=NN3C=C2)CC1	REAL300004951781	0	34	-2.0	-120.57	294.28	5.50	-115.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC(C3CC3)CC2)CC1	REAL300004951782	0	46	-2.0	-123.21	339.49	9.44	-113.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3SC=CC3=NC=N2)CC1	REAL300004951783	0	34	-2.0	-126.31	297.12	7.39	-118.92
CCCCCCCCC(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951784	0	53	-2.0	-119.41	401.05	10.89	-108.52
CN1N=CC(Cl)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951785	0	33	-2.0	-116.36	295.87	5.55	-110.81
CC1=CC(F)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(F)=C1	REAL300004951786	0	36	-2.0	-127.65	311.18	8.14	-119.51
COC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1OC(C)C	REAL300004951787	0	47	-2.0	-127.35	374.92	8.60	-118.75
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=CC=C(Br)N3N=C2)CC1	REAL300004951788	0	36	-2.0	-125.35	322.66	7.44	-117.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(F)(F)N2C=C(C3=CC=CC=C3)N=N2)CC1	REAL300004951789	0	42	-2.0	-121.20	359.08	7.79	-113.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=CS2)CC1	REAL300004951790	0	34	-2.0	-123.71	296.66	7.81	-115.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3(CC3)C2)CC1	REAL300004951791	0	43	-2.0	-121.08	330.49	8.95	-112.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)CC1	REAL300004951792	0	43	-2.0	-123.63	354.86	7.42	-116.21
COC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004951793	0	40	-2.0	-124.04	319.90	7.20	-116.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)N=C2)CC1	REAL300004951794	0	43	-2.0	-119.80	365.45	7.61	-112.19
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3=CC=CC=C3F)N=C2)CC1	REAL300004951795	0	43	-2.0	-124.08	364.65	7.49	-116.59
CN1C=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004951796	0	38	-2.0	-126.55	315.32	5.46	-121.09
CCOCCOCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951797	0	46	-2.0	-123.95	369.64	6.23	-117.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC2CC2=CC=CC=C2)CC1	REAL300004951798	0	49	-2.0	-124.33	370.29	11.29	-113.04
CCCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300004951799	0	45	-2.0	-119.85	369.60	10.55	-109.30
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951800	0	50	-2.0	-123.43	395.95	7.26	-116.17
COC1=CC=CC(C(OC)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951801	0	44	-2.0	-123.58	353.95	7.32	-116.26
COCCOCCOCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951802	0	50	-2.0	-125.59	403.27	5.59	-120.00
COC1=CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C=C1OC	REAL300004951803	0	47	-2.0	-125.45	377.53	8.69	-116.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2(N3C=NN=N3)CCOCC2)CC1	REAL300004951804	0	45	-2.0	-131.73	348.35	6.39	-125.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2CN2C=CN=N2)CC1	REAL300004951805	0	42	-2.0	-144.39	342.84	7.56	-136.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2CN2C=CN=N2)CC1	REAL300004951806	0	42	-2.0	-144.39	342.84	7.56	-136.83
CCCN1N=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951807	0	39	-2.0	-119.45	313.70	6.54	-112.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(NC3=CC=CN=C3)C=C2)CC1	REAL300004951808	0	44	-2.0	-128.92	358.84	7.69	-121.23
CC(C)(C)C1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951809	0	49	-2.0	-123.55	382.56	11.04	-112.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3(CC3)CC2)CC1	REAL300004951810	0	43	-2.0	-119.30	330.21	8.91	-110.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=CC(F)=CC=C32)CC1	REAL300004951811	0	40	-2.0	-121.18	323.11	9.15	-112.03
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004951812	0	46	-2.0	-122.63	359.74	10.98	-111.65
CC1=CC=CC=C1COCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951813	0	43	-2.0	-125.16	348.29	9.32	-115.84
CC1=CC=CC(COCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951814	0	43	-2.0	-124.47	353.52	9.30	-115.17
CC1=CC=C(COCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951815	0	43	-2.0	-122.95	353.03	9.26	-113.69
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CC1	REAL300004951816	0	42	-2.0	-123.78	331.55	8.38	-115.40
CC(C)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951817	0	42	-2.0	-122.94	333.01	9.09	-113.85
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951818	0	40	-2.0	-120.63	353.24	9.53	-111.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CN3C=CN=N3)=C2)CC1	REAL300004951819	0	42	-2.0	-138.01	349.79	7.60	-130.41
CCN1N=CC(Cl)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951820	0	36	-2.0	-116.73	317.35	6.39	-110.34
CCCCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)C	REAL300004951821	0	47	-2.0	-120.79	341.78	8.76	-112.03
CCOCCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004951822	0	43	-2.0	-122.19	351.61	5.74	-116.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NN2CCC2=CC=CC=C2)CC1	REAL300004951823	0	46	-2.0	-121.21	372.15	9.53	-111.68
CC(=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CS1	REAL300004951824	0	37	-2.0	-122.33	314.94	8.58	-113.75
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC=C2C(F)(F)F)CC1	REAL300004951825	0	33	-2.0	-125.09	301.36	7.29	-117.80
COCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCCC1	REAL300004951826	0	46	-2.0	-125.25	334.30	6.69	-118.56
CC1(C)CC1(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004951827	0	46	-2.0	-122.99	358.32	10.24	-112.75
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951828	0	41	-2.0	-128.24	351.63	6.50	-121.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(F)F)N(C3=CC=CC=C3)N=C2)CC1	REAL300004951829	0	43	-2.0	-128.01	359.04	8.97	-119.04
CC1CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)(C2=CC=CC(Cl)=C2)C1	REAL300004951830	0	46	-2.0	-121.31	370.06	10.53	-110.78
COC1=CC=C(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2)C=C1OC	REAL300004951831	0	51	-2.0	-126.60	391.58	8.60	-118.00
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(O)=C1	REAL300004951832	0	38	-2.0	-123.67	313.10	4.39	-119.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCCC2=CC=C(Cl)C=C2)CC1	REAL300004951833	0	45	-2.0	-121.64	378.76	11.11	-110.53
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300004951834	0	52	-2.0	-132.57	389.78	12.12	-120.45
COC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1F	REAL300004951835	0	43	-2.0	-126.48	329.60	7.73	-118.75
COC1CCCC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004951836	0	46	-2.0	-121.36	349.93	7.51	-113.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CC(F)(F)C2)CC1	REAL300004951837	0	36	-2.0	-120.39	298.17	7.43	-112.96
CC1=C2SC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC2=CC=C1	REAL300004951838	0	39	-2.0	-125.01	329.90	9.21	-115.80
CCC(C)C(OC)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951839	0	42	-2.0	-119.46	322.47	7.04	-112.42
COCCOC1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004951840	0	50	-2.0	-122.99	386.87	6.88	-116.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC(C3CC3)=C2)CC1	REAL300004951841	0	43	-2.0	-123.18	346.85	10.32	-112.86
CC1=C(C)C=C2C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=COC2=C1	REAL300004951842	0	42	-2.0	-124.46	340.66	8.93	-115.53
CC(C)(C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1)C(F)(F)F	REAL300004951843	0	45	-2.0	-122.36	362.21	9.71	-112.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(C2CCC2)C2CCC2)CC1	REAL300004951844	0	46	-2.0	-123.61	345.90	9.43	-114.18
CC1CCN2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C2C1	REAL300004951845	0	43	-2.0	-134.22	338.14	8.82	-125.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1	REAL300004951846	0	44	-2.0	-122.82	342.17	7.46	-115.36
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[C@H](CC3=CC=CC=C3)O2)CC1	REAL300004951847	0	47	-2.0	-125.53	371.82	10.18	-115.35
CCC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)(C)C	REAL300004951848	0	47	-2.0	-120.57	336.82	8.50	-112.07
CCC1=CC=C(F)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951849	0	39	-2.0	-123.93	317.61	8.58	-115.35
COCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CS1	REAL300004951850	0	37	-2.0	-123.90	315.80	5.94	-117.96
CN1C=CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C21	REAL300004951851	0	40	-2.0	-125.62	325.13	8.86	-116.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCCCO3)CCC2)CC1	REAL300004951852	0	47	-2.0	-121.33	347.14	7.75	-113.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CCC2)CC1	REAL300004951853	0	45	-2.0	-123.38	360.95	10.05	-113.33
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=N1	REAL300004951854	0	44	-2.0	-141.02	347.11	8.16	-132.86
COC1=CC=C(F)C(OC)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951855	0	41	-2.0	-129.86	345.34	6.23	-123.63
CNC1=NC(C)=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004951856	0	39	-2.0	-125.96	321.54	7.14	-118.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CC3=CC=CC=N3)N=N2)CC1	REAL300004951857	0	41	-2.0	-134.45	347.25	6.15	-128.30
COC1=CC2=C(C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)OCO2	REAL300004951858	0	40	-2.0	-126.68	323.29	6.05	-120.63
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951859	0	49	-2.0	-124.80	388.92	8.88	-115.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(Cl)S2)CC1	REAL300004951860	0	34	-2.0	-122.74	313.69	8.43	-114.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=CC=C2OC(F)(F)F)CC1	REAL300004951861	0	41	-2.0	-124.43	351.32	8.59	-115.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3CCOCC3)C=C2)CC1	REAL300004951862	0	44	-2.0	-129.07	348.15	6.43	-122.64
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C(C2=CC=CC=C2)O1	REAL300004951863	0	43	-2.0	-122.58	351.41	9.76	-112.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCC(F)(F)CC2)CC1	REAL300004951864	0	42	-2.0	-121.16	328.59	8.64	-112.52
CC1=CN(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1C(F)(F)F	REAL300004951865	0	39	-2.0	-127.69	339.46	7.21	-120.48
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951866	0	43	-2.0	-122.49	346.40	10.20	-112.29
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(F)F)N=CO2)CC1	REAL300004951867	0	32	-2.0	-124.16	278.47	3.06	-121.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)F)O2)CC1	REAL300004951868	0	33	-2.0	-123.99	288.66	6.52	-117.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=CC(C3=CC=CC=C3)=C2)CC1	REAL300004951869	0	47	-2.0	-123.47	380.18	12.06	-111.41
CC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=C(F)C=C1	REAL300004951870	0	40	-2.0	-122.79	331.03	8.35	-114.44
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1C1CCCOC1	REAL300004951871	0	51	-2.0	-127.85	383.13	8.54	-119.31
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1CC1CCCOC1	REAL300004951872	0	54	-2.0	-133.04	406.08	9.37	-123.67
CC1=NOC(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCOCC2)=C1	REAL300004951873	0	46	-2.0	-122.35	351.44	6.29	-116.06
CCOC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)C	REAL300004951874	0	42	-2.0	-120.56	322.68	7.23	-113.33
CC1=CC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1Br	REAL300004951875	0	42	-2.0	-122.35	352.46	9.52	-112.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2COCC2=CC=CC=C2)CC1	REAL300004951876	0	50	-2.0	-124.01	405.35	11.10	-112.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(F)=C2OC(F)(F)F)CC1	REAL300004951877	0	37	-2.0	-125.11	328.02	7.69	-117.42
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(C2CCOC2)=N1	REAL300004951878	0	43	-2.0	-118.35	354.22	5.78	-112.57
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCN2CC2=CC=C(Cl)C=C2)CC1	REAL300004951879	0	48	-2.0	-120.98	383.07	8.13	-112.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300004951880	0	36	-2.0	-118.84	330.60	9.19	-109.65
CC1=CN2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C2C=C1	REAL300004951881	0	39	-2.0	-134.60	321.90	9.21	-125.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NN2CC2CCC2)CC1	REAL300004951882	0	43	-2.0	-121.23	338.19	7.89	-113.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC(Cl)=CC3=CC=CC=C32)CC1	REAL300004951883	0	42	-2.0	-123.57	357.00	10.86	-112.71
COC1=CC=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)SC2=C1	REAL300004951884	0	40	-2.0	-125.87	339.08	7.88	-117.99
COC1=CC=C2C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=COC2=C1C	REAL300004951885	0	46	-2.0	-125.77	374.94	8.62	-117.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(F)C3=CC=CC=C23)CC1	REAL300004951886	0	43	-2.0	-123.74	355.27	10.92	-112.82
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951887	0	47	-2.0	-121.74	381.21	10.69	-111.05
CC1=CC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004951888	0	36	-2.0	-123.06	303.27	7.72	-115.34
CC1CN(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)CC(C)O1	REAL300004951889	0	52	-2.0	-122.94	397.80	7.46	-115.48
CC1(C)CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC=C2)C1	REAL300004951890	0	55	-2.0	-125.41	395.01	11.74	-113.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC=C3)CC3(CCC3)C2)CC1	REAL300004951891	0	50	-2.0	-125.10	380.69	11.19	-113.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C(F)F)CCC2)CC1	REAL300004951892	0	36	-2.0	-128.12	280.08	6.91	-121.21
CC1=CN(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1C(F)(F)F	REAL300004951893	0	45	-2.0	-128.45	364.55	7.91	-120.54
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCCO1	REAL300004951894	0	46	-2.0	-125.40	332.03	7.79	-117.61
CC(=CC1CCC(C)CC1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951895	0	49	-2.0	-120.11	373.77	10.16	-109.95
CN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C21	REAL300004951896	0	39	-2.0	-132.37	321.45	7.76	-124.61
CC1OC(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1C	REAL300004951897	0	43	-2.0	-121.42	318.31	6.36	-115.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCO[C@H]2C2=CC=C(Cl)C(F)=C2)CC1	REAL300004951898	0	44	-2.0	-118.41	364.22	8.93	-109.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1	REAL300004951899	0	41	-2.0	-120.48	306.76	5.94	-114.54
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951900	0	51	-2.0	-121.11	361.61	10.10	-111.01
CC1=CC=CC=C1C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCC1	REAL300004951901	0	49	-2.0	-122.74	354.57	10.04	-112.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC2C2=CC=C(F)C=C2)CC1	REAL300004951902	0	43	-2.0	-124.90	341.03	9.88	-115.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC(C(F)F)=C2)CC1	REAL300004951903	0	33	-2.0	-122.22	287.85	6.28	-115.94
CSCCCCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951904	0	45	-2.0	-120.64	367.86	9.54	-111.10
CCC1=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300004951905	0	45	-2.0	-125.59	364.27	10.09	-115.50
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1C1=CN=CC=N1	REAL300004951906	0	45	-2.0	-129.63	367.18	8.25	-121.38
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CSC=C2)CC1	REAL300004951907	0	37	-2.0	-121.14	312.06	8.73	-112.41
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300004951908	0	39	-2.0	-120.16	327.21	8.70	-111.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(OCC3=CC=CC=C3)=CS2)CC1	REAL300004951909	0	44	-2.0	-121.88	375.40	9.51	-112.37
CCOC1=CC=CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951910	0	46	-2.0	-123.07	370.40	9.25	-113.82
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)COC2=CC=CC=C2O1	REAL300004951911	0	42	-2.0	-125.41	332.13	7.88	-117.53
CC1=CN2C=C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C2S1	REAL300004951912	0	39	-2.0	-133.08	335.61	8.81	-124.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CC3=CC=CC=C3O2)CC1	REAL300004951913	0	41	-2.0	-128.29	332.33	8.84	-119.45
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC2CCC1C2	REAL300004951914	0	43	-2.0	-123.56	309.90	8.06	-115.50
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCC(F)(F)CC1	REAL300004951915	0	42	-2.0	-119.41	312.92	7.63	-111.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CSC(C(F)(F)F)=C2)CC1	REAL300004951916	0	37	-2.0	-120.60	336.58	8.80	-111.80
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1	REAL300004951917	0	42	-2.0	-124.67	322.61	8.36	-116.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CSC(CCC(F)(F)F)=N2)CC1	REAL300004951918	0	41	-2.0	-126.11	364.19	8.03	-118.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=C(F)C=CC=C2Cl)CC1	REAL300004951919	0	40	-2.0	-124.52	341.76	9.90	-114.62
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1C=CC(C(F)(F)F)=N1	REAL300004951920	0	39	-2.0	-122.69	335.58	6.77	-115.92
CC1=CC(C)=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004951921	0	46	-2.0	-122.82	361.90	10.38	-112.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=CC=C2C(F)(F)F)CC1	REAL300004951922	0	40	-2.0	-125.44	340.00	9.55	-115.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C3NC=CC3=C2)CC1	REAL300004951923	0	41	-2.0	-125.78	337.33	8.70	-117.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CC3CCCC3)N=C2)CC1	REAL300004951924	0	46	-2.0	-124.84	362.40	8.48	-116.36
COCCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004951925	0	40	-2.0	-122.29	329.75	4.77	-117.52
CC1=CC=CC(COC(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951926	0	46	-2.0	-122.62	369.05	9.70	-112.92
CC1(C)[C@H](C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)[C@H]1C1=CC=CC=C1	REAL300004951927	0	46	-2.0	-122.53	356.50	10.34	-112.19
COC1=CC(C)=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004951928	0	43	-2.0	-123.90	340.53	7.88	-116.02
COCCN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004951929	0	43	-2.0	-122.92	350.71	5.37	-117.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2(C3=CC=CC=C3)CC2)CC1	REAL300004951930	0	43	-2.0	-122.63	345.41	10.13	-112.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=COC3=CC(Cl)=CC=C23)CC1	REAL300004951931	0	39	-2.0	-123.25	342.19	9.10	-114.15
CCC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=CC=C1	REAL300004951932	0	43	-2.0	-121.47	346.23	9.06	-112.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C(F)C3=C2CCCC3)CC1	REAL300004951933	0	49	-2.0	-120.22	380.58	11.30	-108.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	REAL300004951934	0	38	-2.0	-125.21	301.09	5.66	-119.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C(F)C3=CC=CC=C23)CC1	REAL300004951935	0	45	-2.0	-119.99	366.59	11.13	-108.86
CCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300004951936	0	42	-2.0	-119.85	352.67	9.88	-109.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2C3CC4=CC(Cl)=CC=C4C32)CC1	REAL300004951937	0	41	-2.0	-120.61	347.97	10.58	-110.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=CC=C3OCCCOC3=C2)CC1	REAL300004951938	0	51	-2.0	-126.00	403.38	9.76	-116.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3CC2C2CC23)CC1	REAL300004951939	0	41	-2.0	-124.62	306.26	8.52	-116.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3=CC=C(Cl)C=C32)CC1	REAL300004951940	0	37	-2.0	-124.10	316.96	9.14	-114.96
CCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=N1	REAL300004951941	0	39	-2.0	-120.61	316.51	6.34	-114.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=C(C(F)(F)F)SC=C2)CC1	REAL300004951942	0	37	-2.0	-123.59	332.10	8.67	-114.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3CCOCC3)C=C2)CC1	REAL300004951943	0	47	-2.0	-122.53	363.68	8.49	-114.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C(C(F)F)C=C2)CC1	REAL300004951944	0	42	-2.0	-122.67	353.21	9.96	-112.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC(C(F)F)=C2)CC1	REAL300004951945	0	35	-2.0	-119.49	299.99	6.25	-113.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCC[C@@H]2C2=CC=CC=C2)CC1	REAL300004951946	0	49	-2.0	-125.51	360.82	10.82	-114.69
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=CC=CC2=O)CC1	REAL300004951947	0	36	-2.0	-131.38	301.82	6.79	-124.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=NNC3=CC=C2)CC1	REAL300004951948	0	36	-2.0	-123.33	294.32	5.69	-117.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=NNC=C32)CC1	REAL300004951948	1	36	-2.0	-122.65	300.83	5.94	-116.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2CCCCC2=O)CC1	REAL300004951949	0	40	-2.0	-127.39	317.62	6.45	-120.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCN2C=C(Cl)C=N2)CC1	REAL300004951950	0	36	-2.0	-119.13	316.60	6.66	-112.47
CN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C1CC1	REAL300004951951	0	40	-2.0	-129.99	326.02	7.59	-122.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=CC=CN=C32)CC1	REAL300004951952	0	38	-2.0	-133.27	313.60	7.71	-125.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=NC=C2)CC1	REAL300004951953	0	38	-2.0	-121.33	313.91	7.26	-114.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=CN=CC=C32)CC1	REAL300004951954	0	38	-2.0	-127.28	312.89	7.68	-119.60
CN(C)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=N1	REAL300004951955	0	40	-2.0	-121.05	321.98	7.02	-114.03
CN1C=NC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300004951956	0	39	-2.0	-128.56	318.35	8.42	-120.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=NC=N2)CC1	REAL300004951957	0	37	-2.0	-123.04	308.21	7.05	-115.99
CN1N=CC=C1COCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951958	0	40	-2.0	-126.95	332.95	6.31	-120.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=CC=N2)CC1	REAL300004951959	0	38	-2.0	-123.77	313.21	7.26	-116.51
CC1=CC(=O)N(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951960	0	39	-2.0	-131.46	323.27	7.45	-124.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC3=NNC=C3C=C2)CC1	REAL300004951961	0	39	-2.0	-130.35	323.38	6.89	-123.46
CC(C)CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004951962	0	42	-2.0	-122.89	332.92	7.29	-115.60
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CN=C1	REAL300004951964	0	41	-2.0	-132.51	311.07	6.83	-125.68
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC3=CC=NC=C32)CC1	REAL300004951965	0	37	-2.0	-122.09	306.94	5.74	-116.35
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3CC3)N=CO2)CC1	REAL300004951966	0	36	-2.0	-123.07	298.90	4.55	-118.52
COC1=NSC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951967	0	33	-2.0	-116.45	290.14	3.02	-113.43
CC1=CC2=C(SC=C2CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004951968	0	39	-2.0	-122.96	347.13	9.47	-113.49
CCOC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCOC1	REAL300004951969	0	44	-2.0	-123.66	334.89	6.08	-117.58
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)C(C)(C)C	REAL300004951970	0	47	-2.0	-119.99	333.79	8.17	-111.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCC[C@H]2C2=CC=CC(Cl)=C2)CC1	REAL300004951971	0	49	-2.0	-122.50	390.08	11.49	-111.01
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC(F)=CC=C2F)=N1	REAL300004951972	0	43	-2.0	-127.65	370.92	8.66	-118.99
COC1=CC=CC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004951973	0	46	-2.0	-125.03	345.14	8.01	-117.02
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004951974	0	44	-2.0	-126.33	373.10	9.46	-116.87
CC(C)(C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004951975	0	48	-2.0	-121.76	367.29	10.11	-111.65
CCOC1COCCC1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951976	0	47	-2.0	-121.23	362.01	6.14	-115.09
CCC1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951977	0	45	-2.0	-122.18	334.22	8.81	-113.37
CCOC1CC2(CC2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004951978	0	44	-2.0	-123.33	349.53	7.81	-115.52
CCC1=CC2=C(SC=C2CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004951979	0	42	-2.0	-122.83	368.61	10.24	-112.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C(F)F)N=C2)CC1	REAL300004951980	0	33	-2.0	-119.68	287.97	5.05	-114.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C(F)(F)F)=NC=N2)CC1	REAL300004951981	0	34	-2.0	-119.98	302.29	7.13	-112.85
CCCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004951982	0	39	-2.0	-121.02	327.10	8.50	-112.52
CCOCCCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951983	0	45	-2.0	-121.27	357.16	7.56	-113.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCOC2CCOCC2)CC1	REAL300004951984	0	47	-2.0	-122.18	367.25	6.28	-115.90
CCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300004951985	0	43	-2.0	-123.79	351.66	8.05	-115.74
CSC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CO1	REAL300004951986	0	34	-2.0	-123.04	297.72	6.43	-116.61
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3C=CC=CN23)CC1	REAL300004951987	0	36	-2.0	-127.54	295.14	7.39	-120.15
CCN1CCOCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004951988	0	42	-2.0	-120.99	316.52	3.29	-117.70
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300004951989	0	42	-2.0	-122.47	339.59	8.39	-114.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2COCCN2C2CCCC2)CC1	REAL300004951990	0	49	-2.0	-122.56	358.33	5.25	-117.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3CCCCN23)CC1	REAL300004951991	0	40	-2.0	-124.62	313.93	7.20	-117.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCN(CC(F)(F)F)C2)CC1	REAL300004951993	0	41	-2.0	-118.92	331.77	5.40	-113.52
CCCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=N1	REAL300004951994	0	44	-2.0	-121.22	349.63	8.23	-112.99
CN1N=NC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CN=C21	REAL300004951995	0	37	-2.0	-126.70	307.86	4.85	-121.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CN=C3)CCCC2)CC1	REAL300004951996	0	45	-2.0	-123.72	338.67	8.55	-115.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=CC=CN=C32)CC1	REAL300004951997	0	39	-2.0	-127.73	314.16	7.37	-120.36
CC1=NC=C2CCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CN12	REAL300004951998	0	43	-2.0	-120.14	336.55	7.99	-112.15
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952000	0	47	-2.0	-125.13	365.84	9.48	-115.65
CC(CC1=CNC=N1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952001	0	39	-2.0	-125.66	311.77	7.43	-118.23
CC(CC1=CN=CN1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952001	1	39	-2.0	-122.72	314.61	6.89	-115.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3CCCN23)CC1	REAL300004952002	0	37	-2.0	-122.38	297.14	7.05	-115.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=CC3=CC=CC=C32)CC1	REAL300004952003	0	45	-2.0	-122.87	361.52	11.15	-111.72
CC(CCC1=CC=C(F)C=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952004	0	45	-2.0	-121.28	360.37	10.11	-111.17
CC(C)(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300004952005	0	45	-2.0	-119.03	348.94	9.82	-109.21
COCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300004952006	0	40	-2.0	-120.41	332.22	7.17	-113.24
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952007	0	46	-2.0	-137.87	381.63	5.85	-132.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC23CCOCC3)CC1	REAL300004952008	0	44	-2.0	-124.80	329.19	6.70	-118.10
CCOC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCOCC1	REAL300004952009	0	47	-2.0	-120.63	355.87	6.74	-113.89
CCOC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCC1	REAL300004952010	0	46	-2.0	-122.88	346.76	8.60	-114.28
CC1(C)CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2O1	REAL300004952011	0	44	-2.0	-124.50	350.29	8.42	-116.08
CCN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004952012	0	39	-2.0	-124.85	317.02	6.33	-118.52
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(C4CC4)C=CC=C3N2)CC1	REAL300004952013	0	44	-2.0	-121.54	352.56	9.72	-111.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CC3CC3)N=C2)CC1	REAL300004952014	0	40	-2.0	-119.97	327.44	7.29	-112.68
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1	REAL300004952015	0	41	-2.0	-123.72	309.41	7.18	-116.54
CC1=CC2=C(S1)C(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)=CS2	REAL300004952016	0	39	-2.0	-124.19	346.41	9.45	-114.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(Cl)C3=C(F)C=CC=C3S2)CC1	REAL300004952017	0	36	-2.0	-123.92	328.68	9.06	-114.86
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)CC1	REAL300004952018	0	44	-2.0	-128.76	360.62	8.67	-120.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(=O)C2=CC=C(F)C=C2)CC1	REAL300004952019	0	35	-2.0	-117.85	306.04	7.27	-110.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CC3)O2)CC1	REAL300004952020	0	36	-2.0	-120.90	302.44	4.74	-116.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=CC=C3O)=NN2)CC1	REAL300004952021	0	41	-2.0	-121.15	340.10	5.04	-116.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC(C3=CC=CC=C3O)=C2)CC1	REAL300004952021	1	41	-2.0	-129.71	342.91	5.20	-124.51
CCC1CCCC1(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952022	0	45	-2.0	-123.60	323.98	8.27	-115.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@]2(C3=CC=CC=C3)C[C@@H](F)C2)CC1	REAL300004952023	0	43	-2.0	-123.21	336.03	9.77	-113.44
CC1=CC(C)=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004952024	0	39	-2.0	-122.41	328.13	8.70	-113.71
CCN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C1CC1	REAL300004952025	0	43	-2.0	-125.47	347.30	7.70	-117.77
CC(C)(C)C1=CC=C(C(F)(F)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952026	0	48	-2.0	-118.55	380.56	10.44	-108.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=CC=C2F)CC1	REAL300004952027	0	37	-2.0	-124.88	311.98	8.76	-116.12
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C3OCOC3=C2)CC1	REAL300004952028	0	40	-2.0	-122.77	332.05	7.35	-115.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(F)C=C2)CC1	REAL300004952029	0	37	-2.0	-120.88	312.41	8.72	-112.16
C[C@H]1CC[C@H](C2=NC(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CS2)CC1	REAL300004952030	0	51	-2.0	-124.51	407.91	9.73	-114.78
COC1=CC=C(C2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NO2)C=C1	REAL300004952031	0	43	-2.0	-124.86	357.53	8.03	-116.83
CCC1=CC=C(C2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NO2)C=C1	REAL300004952032	0	45	-2.0	-124.90	371.65	10.27	-114.63
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300004952033	0	45	-2.0	-127.24	354.40	9.71	-117.53
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(F)C=C1F	REAL300004952034	0	42	-2.0	-123.46	329.33	8.56	-114.90
C=CCCCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004952035	0	49	-2.0	-120.78	388.00	11.31	-109.47
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OCCC2=CC=CC=C21	REAL300004952036	0	44	-2.0	-124.42	337.48	8.12	-116.30
CC1=CC=C(Cl)C=C1OCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952037	0	40	-2.0	-120.66	342.86	9.32	-111.34
CC(C)(C)C12CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)(C1)C2	REAL300004952038	0	46	-2.0	-121.33	353.52	9.35	-111.98
CC1=CC(C(F)(F)F)=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004952039	0	37	-2.0	-123.63	326.64	6.71	-116.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(F)F)C=CS2)CC1	REAL300004952040	0	33	-2.0	-122.54	297.55	7.26	-115.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300004952041	0	43	-2.0	-123.28	364.06	10.54	-112.74
CC1(C)CCC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC1	REAL300004952042	0	46	-2.0	-122.54	348.05	8.16	-114.38
CC(C)(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC(F)F	REAL300004952043	0	41	-2.0	-121.81	315.38	7.85	-113.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2CCCCS2(=O)=O)CC1	REAL300004952044	0	41	-2.0	-134.12	334.64	3.81	-130.31
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CNN=C2C=C1	REAL300004952045	0	39	-2.0	-123.07	323.70	6.62	-116.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC(F)F)C(Cl)=C2)CC1	REAL300004952046	0	37	-2.0	-121.24	328.04	7.32	-113.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCOC3=C(F)C=CC=C32)CC1	REAL300004952047	0	41	-2.0	-121.71	331.56	7.85	-113.86
CS(=O)(=O)C1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004952048	0	45	-2.0	-129.62	358.13	4.99	-124.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=CC=CC(F)=C3)S2)CC1	REAL300004952049	0	40	-2.0	-126.39	347.62	9.99	-116.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2N=C(C(F)F)C=C2C2CC2)CC1	REAL300004952050	0	43	-2.0	-123.75	364.72	8.37	-115.38
CCC(CC1=CC=CC(C)=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952051	0	48	-2.0	-122.00	373.71	10.65	-111.35
CC(C)(C)OC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952052	0	46	-2.0	-127.54	352.15	8.30	-119.24
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952053	0	41	-2.0	-123.64	338.80	8.94	-114.70
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC(F)(F)C1	REAL300004952054	0	36	-2.0	-118.18	287.96	6.77	-111.41
CC(C)OC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCC1	REAL300004952055	0	43	-2.0	-122.78	325.89	6.94	-115.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCCCO3)CCOCC2)CC1	REAL300004952056	0	51	-2.0	-120.10	356.93	6.38	-113.72
CC1=CC=C2OCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC2=C1	REAL300004952057	0	42	-2.0	-122.48	336.53	8.29	-114.19
COC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004952058	0	45	-2.0	-125.16	365.09	7.95	-117.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(SC(F)F)C=C2)CC1	REAL300004952059	0	41	-2.0	-125.47	356.04	9.99	-115.48
COC1=CC=C(OC)C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952060	0	45	-2.0	-127.24	363.92	7.30	-119.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CSC=C2)CC1	REAL300004952061	0	34	-2.0	-122.13	296.04	7.61	-114.52
CC1(C)CCC2=C(C1)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)=NO2	REAL300004952062	0	45	-2.0	-127.78	346.57	8.74	-119.04
CCC1=NN(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952063	0	39	-2.0	-119.35	313.72	6.28	-113.07
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(C2=CC=C(C)C=C2)=N1	REAL300004952064	0	45	-2.0	-120.77	377.90	9.38	-111.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CSC(C3CCCC3)=N2)CC1	REAL300004952065	0	45	-2.0	-124.69	368.11	8.45	-116.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CSC(C3CC3)=N2)CC1	REAL300004952066	0	39	-2.0	-125.10	334.14	7.39	-117.71
CC1CCC(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004952067	0	46	-2.0	-121.97	354.94	8.86	-113.11
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)(F)F)=CO1	REAL300004952068	0	36	-2.0	-124.58	321.00	7.30	-117.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2CCC3=CC=CC=C32)CC1	REAL300004952069	0	46	-2.0	-123.08	361.34	10.77	-112.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C(F)(F)F)=CC=N2)CC1	REAL300004952070	0	35	-2.0	-124.17	306.42	7.15	-117.02
CC1(C)COC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004952071	0	46	-2.0	-122.57	356.25	7.49	-115.08
CC(C)(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC(F)(F)F	REAL300004952072	0	41	-2.0	-121.67	319.21	7.94	-113.73
COC1=CC=C(CCCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004952073	0	53	-2.0	-123.99	420.29	9.74	-114.25
COC1=CC=C2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2=C1	REAL300004952074	0	47	-2.0	-122.17	366.52	9.08	-113.09
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952075	0	41	-2.0	-122.55	317.99	6.38	-116.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3C=CN=C3)C=C2)CC1	REAL300004952076	0	43	-2.0	-129.45	356.17	10.46	-118.99
CC1=NC(CN2CCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2)=CS1	REAL300004952077	0	50	-2.0	-123.48	397.65	6.66	-116.82
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1CCN(C)CC1	REAL300004952078	0	46	-2.0	-120.76	344.74	3.33	-117.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2CCOCC2)CC1	REAL300004952079	0	39	-2.0	-121.33	304.12	3.17	-118.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCC3(CCC3)CO2)CC1	REAL300004952080	0	47	-2.0	-122.73	356.16	8.77	-113.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCC3(CCOCC3)CO2)CC1	REAL300004952081	0	51	-2.0	-124.81	374.67	7.45	-117.36
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1	REAL300004952082	0	41	-2.0	-119.61	320.98	6.66	-112.95
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3CCC(C2)S3)CC1	REAL300004952083	0	41	-2.0	-128.27	298.79	7.74	-120.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC=C2C(F)F)CC1	REAL300004952084	0	33	-2.0	-124.83	294.55	7.06	-117.77
COC1=CC=C(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004952085	0	50	-2.0	-126.49	399.28	9.01	-117.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2[C@@H](C3=CC=CC=C3)C2(F)F)CC1	REAL300004952086	0	40	-2.0	-120.92	334.86	9.59	-111.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=CC=C(Br)C=C2)CC1	REAL300004952087	0	42	-2.0	-120.77	361.33	10.39	-110.38
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC(F)=CC(F)=C3)C=C2)CC1	REAL300004952088	0	40	-2.0	-130.92	344.33	9.10	-121.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCCC2=CC=CC=C2)CC1	REAL300004952089	0	45	-2.0	-120.56	361.53	10.55	-110.01
CC1(C)COC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004952090	0	43	-2.0	-123.36	333.71	7.26	-116.10
CC1=C2OC=C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=CC=C1Cl	REAL300004952091	0	42	-2.0	-123.84	360.88	9.67	-114.17
CC1=CN2N=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2N=C1	REAL300004952092	0	38	-2.0	-132.74	318.23	6.79	-125.95
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952093	0	43	-2.0	-119.72	359.79	8.49	-111.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCC3(CCC3)O2)CC1	REAL300004952094	0	44	-2.0	-126.61	342.06	7.91	-118.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCOC3(CCC3)C2)CC1	REAL300004952095	0	44	-2.0	-118.79	331.87	6.97	-111.82
COC1=CC2=CC=C(C=CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C=C1	REAL300004952096	0	47	-2.0	-126.43	382.00	10.29	-116.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC=CCCC2)CC1	REAL300004952097	0	43	-2.0	-120.70	316.72	8.49	-112.21
CCN1N=C(C2CC2)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952098	0	43	-2.0	-120.35	343.60	7.93	-112.42
CN1N=C2CCCC2=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952099	0	40	-2.0	-120.97	324.25	6.94	-114.03
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004952100	0	41	-2.0	-136.81	338.54	9.38	-127.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC=C3N=C2)CC1	REAL300004952101	0	38	-2.0	-124.05	314.07	7.47	-116.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3(C2)CC(F)(F)C3)CC1	REAL300004952102	0	40	-2.0	-122.02	326.03	8.52	-113.50
CCSC1=CC=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952103	0	43	-2.0	-125.90	356.57	9.99	-115.91
C=CCOC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC	REAL300004952104	0	49	-2.0	-125.20	399.84	9.45	-115.75
CCCCC1=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300004952105	0	52	-2.0	-124.46	422.95	12.36	-112.10
CC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(Br)=C1	REAL300004952106	0	40	-2.0	-123.66	346.14	9.90	-113.76
CC1=CC=CC(C2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)=C1	REAL300004952107	0	46	-2.0	-125.25	367.74	11.25	-114.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCC3=C(C=CS3)C2=O)CC1	REAL300004952108	0	42	-2.0	-135.28	348.04	10.11	-125.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3OCCCOC3=C2[N+](=O)[O-])CC1	REAL300004952109	0	44	-2.0	-128.23	366.58	8.08	-120.15
COC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCSC1	REAL300004952110	0	38	-2.0	-121.36	303.44	5.81	-115.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NN2C2CC2)CC1	REAL300004952111	0	37	-2.0	-120.73	300.96	6.60	-114.13
CC12CC3CC(C1)CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)(C3)C2	REAL300004952112	0	50	-2.0	-123.84	349.45	9.40	-114.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCCCC3)CC2)CC1	REAL300004952113	0	46	-2.0	-124.75	340.50	9.30	-115.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C4OCCOC4=C3)CC2)CC1	REAL300004952114	0	46	-2.0	-130.71	366.34	8.23	-122.48
COC1=CC=CC(C(F)F)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952115	0	40	-2.0	-137.06	334.39	7.56	-129.50
CC1=CC=C(F)C(Br)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952116	0	36	-2.0	-125.01	322.48	8.48	-116.53
COC1=CC=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=NN21	REAL300004952117	0	40	-2.0	-130.27	330.80	5.72	-124.55
CCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300004952118	0	46	-2.0	-127.50	377.20	9.33	-118.17
CC1CCC2=C(C1)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)=NN2	REAL300004952119	0	43	-2.0	-130.15	334.93	7.26	-122.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3C=C(Cl)C=N3)S2)CC1	REAL300004952120	0	40	-2.0	-123.59	363.08	8.42	-115.17
CN1N=C2CCCCC2=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952121	0	43	-2.0	-120.26	342.10	7.49	-112.77
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952122	0	43	-2.0	-120.33	350.55	8.53	-111.80
CN1N=C(C(F)(F)F)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952123	0	36	-2.0	-115.18	310.70	5.90	-109.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=CC=C(C3CC3)C=C2)CC1	REAL300004952124	0	49	-2.0	-121.70	389.26	11.87	-109.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(CCOC3)NC2=O)CC1	REAL300004952125	0	41	-2.0	-138.26	324.62	4.19	-134.07
CCN1C=C(Cl)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952126	0	37	-2.0	-122.52	313.30	8.00	-114.52
COC1=CC(OC)=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004952127	0	39	-2.0	-118.97	329.20	2.17	-116.80
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCS1(=O)=O	REAL300004952128	0	39	-2.0	-135.73	305.64	3.90	-131.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(CC3=CC=CC=C3)=C2)CC1	REAL300004952129	0	42	-2.0	-126.29	351.89	9.68	-116.61
COC1=CC2=NC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C=C1	REAL300004952130	0	42	-2.0	-125.54	343.56	6.79	-118.75
CC(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004952131	0	41	-2.0	-122.06	330.09	8.31	-113.75
CCN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C1CC1	REAL300004952132	0	43	-2.0	-130.32	347.86	8.45	-121.87
CCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Br	REAL300004952133	0	39	-2.0	-119.25	331.87	9.06	-110.19
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC(F)=C2)=NO1	REAL300004952134	0	42	-2.0	-122.14	359.94	9.25	-112.89
N#CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC2CCC1C2	REAL300004952135	0	41	-2.0	-121.31	312.50	7.42	-113.89
COC1=NC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952136	0	39	-2.0	-123.21	327.91	3.38	-119.83
CC1=NNC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C12	REAL300004952137	0	39	-2.0	-127.11	322.69	6.52	-120.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCOC3(CCCC3)C2)CC1	REAL300004952138	0	47	-2.0	-118.99	347.35	7.58	-111.41
COC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=CC=C1	REAL300004952139	0	41	-2.0	-123.16	333.29	6.96	-116.20
CC1=CC(C)=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(=O)N1	REAL300004952140	0	42	-2.0	-135.22	340.19	6.29	-128.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3NC=CC3=N2)CC1	REAL300004952141	0	36	-2.0	-136.92	298.68	6.25	-130.67
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CCCC2)=N1	REAL300004952142	0	46	-2.0	-122.02	356.98	8.00	-114.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CCCOCC3=CC=CC=C3)CC2)CC1	REAL300004952143	0	53	-2.0	-130.88	422.27	10.72	-120.16
CN1C=NC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952144	0	37	-2.0	-131.04	310.52	8.11	-122.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3CCCCCC3)C=C2)CC1	REAL300004952145	0	51	-2.0	-123.00	376.85	8.81	-114.19
CC(SC1=CC=C(F)C=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952146	0	40	-2.0	-119.87	338.44	9.08	-110.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(F)F)SC=C2)CC1	REAL300004952147	0	33	-2.0	-124.63	294.61	7.12	-117.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C[C@@H]2C[C@H]2CC2=CC=CC=C2)CC1	REAL300004952148	0	46	-2.0	-122.09	371.25	11.24	-110.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3C=CN=N3)O2)CC1	REAL300004952149	0	39	-2.0	-128.09	332.53	6.17	-121.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=CC=N3)N=C2)CC1	REAL300004952150	0	39	-2.0	-125.02	327.67	7.60	-117.42
CC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300004952151	0	39	-2.0	-122.49	333.10	9.32	-113.17
CC1=CC(C)=NN1CCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952152	0	45	-2.0	-127.61	363.21	8.06	-119.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC=CC3=CC=CN=C32)CC1	REAL300004952153	0	37	-2.0	-140.78	306.52	7.06	-133.72
CC1(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCS(=O)(=O)N1	REAL300004952154	0	41	-2.0	-131.43	328.36	2.33	-129.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC3=CC(Cl)=CC=C32)CC1	REAL300004952155	0	38	-2.0	-118.94	329.77	8.11	-110.83
COC1=CC=CC(CC(C)CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952156	0	49	-2.0	-124.82	382.69	9.52	-115.30
CC(C)C1CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCO1	REAL300004952157	0	46	-2.0	-121.18	340.82	7.30	-113.88
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=C2CCOC3)CC1	REAL300004952158	0	41	-2.0	-124.68	324.38	7.21	-117.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCCC(C(F)(F)F)O2)CC1	REAL300004952159	0	43	-2.0	-125.42	344.01	8.01	-117.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCC(C3CC3)O2)CC1	REAL300004952160	0	44	-2.0	-126.54	346.42	8.58	-117.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@H]2CC[C@H](NC3=CN=CC=N3)CC2)CC1	REAL300004952161	0	49	-2.0	-124.29	381.17	6.70	-117.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@H]2CC[C@H](NC3=NC=CC=N3)CC2)CC1	REAL300004952162	0	49	-2.0	-125.30	384.68	9.36	-115.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC[C@@H]3C[C@@H]3CC2)CC1	REAL300004952163	0	43	-2.0	-120.98	313.77	8.51	-112.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CCC3=CC=CC=C3)CC2)CC1	REAL300004952165	0	46	-2.0	-126.78	366.91	10.70	-116.08
COC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952166	0	42	-2.0	-122.50	346.08	5.72	-116.78
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCOC2=CC=CC=C21	REAL300004952167	0	44	-2.0	-122.76	333.19	7.72	-115.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC=C3)CCCO2)CC1	REAL300004952168	0	44	-2.0	-123.49	342.78	8.44	-115.05
COC1=CC=C2NC=CC2=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952169	0	41	-2.0	-134.36	337.14	6.64	-127.72
NC1=NC(C2CCCC2)=NC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952170	0	46	-2.0	-117.72	361.42	6.49	-111.23
CN1C=NC(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)=N1	REAL300004952171	0	42	-2.0	-128.37	350.99	9.31	-119.06
CC1=CC(C)=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952172	0	38	-2.0	-130.83	310.42	7.53	-123.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3CCCC3)N=CS2)CC1	REAL300004952173	0	42	-2.0	-121.94	341.40	7.68	-114.26
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)N2N=CN=C2N1C	REAL300004952174	0	45	-2.0	-122.14	351.11	10.30	-111.84
CC1=CC=NC=C1C=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952175	0	39	-2.0	-125.09	319.19	7.48	-117.61
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952177	0	48	-2.0	-132.25	377.23	9.17	-123.08
CN1C=CC(NC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)=N1	REAL300004952178	0	45	-2.0	-129.55	368.32	8.62	-120.93
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=NN1C1=CN(C)N=C1	REAL300004952179	0	42	-2.0	-131.45	347.23	5.73	-125.72
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=NN1C1=NN(C)C=C1	REAL300004952180	0	42	-2.0	-133.36	348.36	6.91	-126.45
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952181	0	42	-2.0	-118.69	357.26	6.90	-111.79
CCOC1=NC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C2N1	REAL300004952182	0	43	-2.0	-124.88	353.80	4.60	-120.28
CCC(CC)OC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952183	0	49	-2.0	-122.74	377.46	9.43	-113.31
CC1=CC(F)=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300004952184	0	39	-2.0	-122.97	329.80	8.95	-114.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNN=C2C2=COC=C2)CC1	REAL300004952185	0	37	-2.0	-125.05	316.24	5.33	-119.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3=COC=C3)NN=C2)CC1	REAL300004952185	1	37	-2.0	-123.89	314.61	5.23	-118.66
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=COC=C2)=N1	REAL300004952186	0	40	-2.0	-125.26	335.02	6.65	-118.61
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC=C2OC2CCCC2)CC1	REAL300004952187	0	50	-2.0	-127.21	391.42	10.48	-116.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC=C2OC2CCOC2)CC1	REAL300004952188	0	48	-2.0	-129.97	381.79	7.92	-122.05
COCC(C)(C)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952189	0	42	-2.0	-121.18	322.42	6.34	-114.84
CC1=CN2C=CN=C2C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952190	0	39	-2.0	-134.42	325.56	8.64	-125.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCS(=O)(=O)C3=CC=CC=C32)CC1	REAL300004952191	0	43	-2.0	-126.70	351.29	5.68	-121.02
CC(C)(C)CCC1(O)CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004952192	0	52	-2.0	-121.29	390.80	7.15	-114.14
CCOC1=NC=CC(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952193	0	42	-2.0	-127.29	345.60	5.63	-121.66
CSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952194	0	39	-2.0	-128.39	339.80	8.85	-119.54
CNC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=NS1	REAL300004952195	0	37	-2.0	-119.54	318.95	4.58	-114.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)C=C2)CC1	REAL300004952196	0	44	-2.0	-121.28	367.90	10.11	-111.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC(F)=CC3=C2OCOC3)CC1	REAL300004952197	0	42	-2.0	-126.39	347.35	7.41	-118.98
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952198	0	47	-2.0	-130.92	394.32	4.79	-126.13
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952199	0	39	-2.0	-130.37	331.34	1.52	-128.85
NS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952200	0	42	-2.0	-127.25	360.13	3.61	-123.64
CC1=NC(COC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)=NO1	REAL300004952201	0	45	-2.0	-127.93	375.68	6.01	-121.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNN=C2C2=CC=CC=C2)CC1	REAL300004952202	0	40	-2.0	-126.23	332.85	7.17	-119.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(C3=CC=CS3)=C2)CC1	REAL300004952203	0	36	-2.0	-123.68	320.15	7.88	-115.80
COCCCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952204	0	46	-2.0	-120.03	376.91	4.73	-115.30
NS(=O)(=O)C1=CN(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300004952205	0	41	-2.0	-127.58	356.45	1.06	-126.52
NS(=O)(=O)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952206	0	41	-2.0	-135.65	351.00	2.86	-132.79
NS(=O)(=O)C1=CN(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300004952207	0	38	-2.0	-130.61	334.19	0.48	-130.13
NS(=O)(=O)C1=CC=C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952208	0	42	-2.0	-127.88	360.72	3.09	-124.79
CC(C)CC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004952209	0	41	-2.0	-130.08	339.08	7.76	-122.32
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004952210	0	35	-2.0	-123.39	318.43	1.14	-122.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(N3C=NC=N3)=C2)CC1	REAL300004952211	0	38	-2.0	-126.76	323.15	9.05	-117.71
CC1=NC(S(=O)(=O)NCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CN1C	REAL300004952212	0	44	-2.0	-128.23	374.77	2.72	-125.51
CC1=NOC(C(F)F)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952213	0	35	-2.0	-117.88	305.36	6.38	-111.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3N=CNC3=N2)CC1	REAL300004952214	0	35	-2.0	-130.02	292.90	6.94	-123.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3N=CN=C3N2)CC1	REAL300004952214	1	35	-2.0	-118.60	298.85	6.19	-112.41
CC1=C(C)NC(=O)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004952215	0	38	-2.0	-140.80	310.90	5.37	-135.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCN(C3=CC=CC=C3)C2)CC1	REAL300004952216	0	45	-2.0	-121.44	347.09	7.53	-113.91
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CC(=O)N1	REAL300004952217	0	36	-2.0	-119.04	299.19	4.80	-114.24
CC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(Cl)=C1	REAL300004952218	0	39	-2.0	-123.53	332.93	9.31	-114.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC3=CC=NC=C3C=C2)CC1	REAL300004952219	0	41	-2.0	-124.16	338.64	8.70	-115.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC3=CNN=C3C=C2)CC1	REAL300004952220	0	39	-2.0	-127.80	323.90	6.93	-120.87
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC(C(F)F)=C2)CC1	REAL300004952221	0	39	-2.0	-122.33	329.83	9.08	-113.25
CC1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1Cl	REAL300004952222	0	39	-2.0	-124.05	330.63	9.23	-114.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=NC=CN3C=C2)CC1	REAL300004952223	0	36	-2.0	-126.59	304.15	7.93	-118.66
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=NC=CN32)CC1	REAL300004952224	0	36	-2.0	-120.48	303.33	7.63	-112.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN3N=NN=C3C=C2)CC1	REAL300004952225	0	34	-2.0	-119.25	294.10	5.47	-113.78
CC1=CN2C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN=C2C=C1	REAL300004952226	0	39	-2.0	-126.75	316.21	8.02	-118.73
CC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2C=CC=CN12	REAL300004952227	0	39	-2.0	-140.63	319.13	9.08	-131.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC=C3C=CC=CN32)CC1	REAL300004952228	0	36	-2.0	-135.25	297.47	8.55	-126.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3CCCCC3=NO2)CC1	REAL300004952229	0	39	-2.0	-122.30	310.49	7.21	-115.09
CC1=CC=C2OC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2=C1	REAL300004952230	0	44	-2.0	-122.88	347.70	9.69	-113.19
COC1=CC2=NC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N2C=C1	REAL300004952231	0	40	-2.0	-124.11	324.77	6.71	-117.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CN=CN=C2)CC1	REAL300004952232	0	37	-2.0	-120.38	308.17	6.99	-113.39
COC1=COC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC1=O	REAL300004952233	0	36	-2.0	-120.15	302.81	5.33	-114.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN3C=NC=C3C=C2)CC1	REAL300004952234	1	36	-2.0	-119.25	303.49	8.67	-110.58
CCC1=CN=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952235	0	38	-2.0	-122.02	309.98	6.72	-115.30
CC1=CSC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004952236	0	38	-2.0	-120.91	325.13	6.69	-114.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=NC=C3N=C2)CC1	REAL300004952237	0	37	-2.0	-120.64	307.85	5.67	-114.97
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1C	REAL300004952238	0	38	-2.0	-130.53	306.37	7.38	-123.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC(F)=C3N=C2)CC1	REAL300004952239	0	38	-2.0	-121.68	320.36	7.65	-114.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3CCCC3)C=C2)CC1	REAL300004952240	0	46	-2.0	-122.12	357.02	10.40	-111.72
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)(F)F)=NN1	REAL300004952241	0	36	-2.0	-124.06	317.51	5.26	-118.80
CC1=NNC(C(F)(F)F)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952241	1	36	-2.0	-119.10	319.95	5.41	-113.69
CCOC1=NOC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952242	0	36	-2.0	-116.65	303.01	3.64	-113.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC(=O)C3=CC=CN32)CC1	REAL300004952243	0	40	-2.0	-119.41	323.72	7.53	-111.88
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=C2NC(=O)C=C3)CC1	REAL300004952244	0	39	-2.0	-132.69	321.97	6.36	-126.33
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004952245	0	44	-2.0	-127.73	362.40	3.31	-124.42
COCCOC1=CN=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952246	0	43	-2.0	-125.00	352.72	4.88	-120.12
CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952247	0	40	-2.0	-123.35	345.33	1.45	-121.90
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952248	0	37	-2.0	-124.99	322.30	0.12	-124.87
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952249	0	43	-2.0	-122.98	364.32	3.28	-119.70
CN1C=NC(S(=O)(=O)NCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952250	0	41	-2.0	-130.48	355.75	2.97	-127.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC(O)C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300004952251	0	40	-2.0	-122.15	359.39	7.73	-114.42
CCC(C)(C)C1CCC2(CC2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004952252	0	58	-2.0	-122.68	409.07	11.57	-111.11
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C1CC1	REAL300004952253	0	44	-2.0	-122.56	350.39	8.64	-113.92
CC1=CC=C(OCCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(Cl)=C1	REAL300004952254	0	46	-2.0	-125.49	386.44	9.84	-115.65
CSCC1=NOC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004952255	0	41	-2.0	-121.51	354.83	5.63	-115.88
CCOC1=NC(C)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952256	0	42	-2.0	-124.98	338.39	6.35	-118.63
CCCOC1=NC(C)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952257	0	45	-2.0	-124.97	359.89	7.15	-117.82
COCCC(C)(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952258	0	42	-2.0	-121.69	315.09	5.39	-116.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CC=CS3)CCCCC2)CC1	REAL300004952259	0	49	-2.0	-126.56	367.41	10.12	-116.44
COC1=CC(OC2CC2)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952260	0	45	-2.0	-126.19	362.89	7.75	-118.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3=CC=CC=C3)C=N2)CC1	REAL300004952261	0	43	-2.0	-126.21	356.98	9.11	-117.10
CC(C)(C)OC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300004952262	0	45	-2.0	-127.35	347.74	7.25	-120.10
CC1=NC=CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004952263	0	40	-2.0	-121.56	329.56	6.97	-114.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCN3C(=CN=C3C3=CC=CC=C3)C2)CC1	REAL300004952264	0	50	-2.0	-124.22	389.19	10.67	-113.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCCC2=NNN=C2)CC1	REAL300004952265	0	41	-2.0	-122.74	335.33	5.61	-117.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCCC2=CNN=N2)CC1	REAL300004952265	1	41	-2.0	-126.87	335.43	5.68	-121.19
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC(Cl)=CC3=C2OCC3)CC1	REAL300004952266	0	41	-2.0	-124.71	350.20	8.58	-116.13
CCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N=N1	REAL300004952268	0	40	-2.0	-115.46	323.09	6.29	-109.17
CC1(CN2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=N2)COC1	REAL300004952269	0	43	-2.0	-132.58	346.16	4.83	-127.75
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(F)(F)F)N=CO2)CC1	REAL300004952270	0	32	-2.0	-120.43	285.11	3.33	-117.10
CC(C)N1C=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952271	0	39	-2.0	-132.89	316.98	8.61	-124.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2COCCN2CC(F)F)CC1	REAL300004952273	0	42	-2.0	-123.78	318.92	3.30	-120.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC(N3C=CN=N3)=C2)CC1	REAL300004952274	0	38	-2.0	-127.32	320.82	5.25	-122.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNN=C2C2=CC=C(Cl)C=C2)CC1	REAL300004952275	0	40	-2.0	-121.64	350.34	7.66	-113.98
CC(C)(C)C(Br)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952276	0	38	-2.0	-116.96	307.85	7.31	-109.65
CC1CN(C2=CC=NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)CC(C)O1	REAL300004952277	0	51	-2.0	-128.34	394.49	6.57	-121.77
CC1=CC(C)=NN1CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952278	0	42	-2.0	-122.63	342.58	7.28	-115.35
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)NC2=O)CC1	REAL300004952279	0	36	-2.0	-130.90	317.32	5.06	-125.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CNS(=O)(=O)C2=CC=CN=C2)CC1	REAL300004952280	0	40	-2.0	-123.20	346.22	2.04	-121.16
CC1=CC=C(C(O)(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(F)(F)F)O1	REAL300004952281	0	43	-2.0	-119.46	362.85	6.70	-112.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(N2)SC=C3)CC1	REAL300004952282	0	34	-2.0	-119.19	293.42	6.70	-112.49
CC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=NN=CN1	REAL300004952283	0	38	-2.0	-128.16	322.40	9.76	-118.40
CC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=NNC=N1	REAL300004952283	1	38	-2.0	-137.26	321.75	9.60	-127.66
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3C=CN=C3)N=C2)CC1	REAL300004952284	0	39	-2.0	-122.69	325.27	8.78	-113.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(F)(F)F)C3=CC=CC=C3N=C2)CC1	REAL300004952285	0	41	-2.0	-123.05	343.84	8.17	-114.88
CC1=NOC2=NC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C12	REAL300004952286	0	37	-2.0	-116.56	311.75	4.66	-111.90
CCCN(CC)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952287	0	50	-2.0	-124.73	389.33	10.25	-114.48
CCN(C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1)C(C)C	REAL300004952288	0	50	-2.0	-124.62	378.57	9.76	-114.86
CCOC1=CC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1O	REAL300004952289	0	45	-2.0	-123.10	368.05	6.76	-116.34
CCCN(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952290	0	47	-2.0	-123.86	365.78	9.21	-114.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCCN2CC2=CC=C(F)C=C2)CC1	REAL300004952291	0	51	-2.0	-121.39	394.39	8.88	-112.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCN2CC2=CC=C(F)C=C2)CC1	REAL300004952292	0	48	-2.0	-120.98	372.74	7.68	-113.30
CCCS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952293	0	47	-2.0	-125.38	391.25	5.44	-119.94
CC(C)C1=CC=C(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCCC2)C=C1	REAL300004952294	0	55	-2.0	-127.57	401.39	12.24	-115.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CN3C=NC=N3)=C2)CC1	REAL300004952295	0	42	-2.0	-134.02	351.46	10.27	-123.75
CC1=NOC(C2CC2)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952296	0	39	-2.0	-118.63	328.68	7.92	-110.71
CN1N=NC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN=C21	REAL300004952297	0	37	-2.0	-118.38	311.81	4.74	-113.64
C#CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952298	0	35	-2.0	-121.43	298.38	8.29	-113.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C3=NNC=N3)=C2)CC1	REAL300004952299	0	39	-2.0	-128.85	327.97	8.06	-120.79
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)C=C1Cl	REAL300004952300	0	39	-2.0	-119.55	326.39	8.92	-110.63
CN1C=NC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN=C21	REAL300004952301	0	38	-2.0	-127.00	314.16	7.60	-119.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(NC3CC3)=N2)CC1	REAL300004952302	0	38	-2.0	-128.38	326.09	6.76	-121.62
CC1=NC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2N1C	REAL300004952303	0	42	-2.0	-125.87	339.16	8.21	-117.66
CC1=NN(C(C)CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952304	0	42	-2.0	-120.69	336.04	7.21	-113.48
CCNC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004952305	0	37	-2.0	-129.39	316.30	5.91	-123.48
CC1=CC=C2SN=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300004952306	0	38	-2.0	-128.50	321.73	8.35	-120.15
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C(S(N)(=O)=O)O1	REAL300004952307	0	38	-2.0	-126.75	329.97	1.09	-125.66
CC(C)(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC1=CC=C(Cl)C=C1	REAL300004952308	0	48	-2.0	-120.22	379.64	11.00	-109.22
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952309	0	50	-2.0	-129.67	393.23	11.68	-117.99
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COCC2=CC=CC(Cl)=C2)CC1	REAL300004952310	0	40	-2.0	-122.35	348.35	9.10	-113.25
CC1=C(Br)C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(=O)N1	REAL300004952311	0	36	-2.0	-132.95	321.04	5.38	-127.57
CN1N=C(C(F)F)C2=C1SC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)=C2	REAL300004952312	0	39	-2.0	-121.30	347.89	7.12	-114.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC(C3CCOCC3)=N2)CC1	REAL300004952313	0	43	-2.0	-126.13	345.90	4.66	-121.47
CCC1=NC(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)=NN1	REAL300004952314	0	45	-2.0	-125.92	371.99	8.59	-117.33
COCCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(Cl)=C1	REAL300004952315	0	44	-2.0	-123.39	372.62	7.14	-116.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CC=CC=C3)CCOCC2)CC1	REAL300004952316	0	50	-2.0	-128.10	367.61	8.58	-119.52
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCCS(=O)(=O)C2)CC1	REAL300004952317	0	42	-2.0	-127.46	335.84	4.46	-123.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3CCOCC3)N=N2)CC1	REAL300004952318	0	43	-2.0	-128.16	343.87	4.95	-123.21
CC(C)C1CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCO1	REAL300004952319	0	49	-2.0	-121.03	366.27	8.30	-112.73
CCC1CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCO1	REAL300004952320	0	46	-2.0	-120.93	343.50	7.44	-113.49
CCC1CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCO1	REAL300004952321	0	43	-2.0	-121.02	322.65	6.60	-114.42
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC=C2)=NO1	REAL300004952322	0	45	-2.0	-120.43	374.97	9.97	-110.46
NC1=NC(C2CC2)=NC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952323	0	40	-2.0	-118.87	327.98	5.77	-113.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3CCCC3=CO2)CC1	REAL300004952324	0	37	-2.0	-124.50	299.32	7.43	-117.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3CCOCC3=CO2)CC1	REAL300004952325	0	38	-2.0	-124.00	305.88	5.45	-118.55
C=CC(C)(CCOC)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952326	0	43	-2.0	-123.15	319.02	6.31	-116.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(=O)C3=CC=CC(O)=C3)C=C2)CC1	REAL300004952327	0	46	-2.0	-125.98	380.56	7.58	-118.40
COC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CN(C)N=C1	REAL300004952328	0	40	-2.0	-121.21	327.30	5.71	-115.50
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(NCC(F)(F)F)=N1	REAL300004952329	0	43	-2.0	-119.28	365.78	6.99	-112.29
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)S(=O)(=O)C1CC1	REAL300004952330	0	42	-2.0	-134.84	332.07	4.58	-130.26
CN1C=C(OC2=CC=CC=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952331	0	44	-2.0	-132.81	367.07	8.13	-124.68
CN1N=CC2=C1N=C(CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)NC2=O	REAL300004952332	0	44	-2.0	-123.57	366.35	6.19	-117.38
COC1=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1O	REAL300004952333	0	41	-2.0	-124.64	337.91	5.35	-119.29
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(O)C(F)=C2)CC1	REAL300004952334	0	37	-2.0	-124.42	314.88	5.44	-118.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2CCCCC2)CC1	REAL300004952335	0	43	-2.0	-120.61	319.80	6.35	-114.26
CC1CCC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004952336	0	45	-2.0	-119.94	330.78	8.86	-111.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(C3=CC=NC=C3)=C2)CC1	REAL300004952337	0	38	-2.0	-124.32	324.00	7.09	-117.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC(O)=C2)CC1	REAL300004952338	0	37	-2.0	-122.99	308.16	5.32	-117.67
COC1=CC=CC=C1C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004952339	0	43	-2.0	-128.49	359.65	8.26	-120.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)CCC2=CC=CC=C2)CC1	REAL300004952340	0	43	-2.0	-121.26	346.12	7.46	-113.80
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3OC(F)(F)OC3=C2)CC1	REAL300004952341	0	36	-2.0	-115.40	311.00	6.22	-109.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C(Cl)C=C3)CCCCC2)CC1	REAL300004952342	0	49	-2.0	-123.65	374.12	10.81	-112.84
CCCOC1=CC=CN=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952343	0	42	-2.0	-136.67	338.11	8.54	-128.13
CC(C)(C)C1=CC=C(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2)C=C1	REAL300004952344	0	55	-2.0	-124.81	408.11	11.65	-113.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3=CC=CC=N3)S2)CC1	REAL300004952345	0	38	-2.0	-124.52	333.98	6.43	-118.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3C=CN=C3)N=N2)CC1	REAL300004952346	0	38	-2.0	-130.49	320.66	8.26	-122.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(NC3=CC=NC=C3)C=C2)CC1	REAL300004952347	1	44	-2.0	-124.74	358.85	7.77	-116.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CC=CC(F)=C3)CCCCC2)CC1	REAL300004952348	0	52	-2.0	-136.31	382.45	10.99	-125.32
CCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300004952349	0	39	-2.0	-121.01	333.22	6.66	-114.35
CN1C=CN=C1CNC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952350	0	48	-2.0	-127.66	389.67	8.16	-119.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C(N3CCOCC3)C(F)=C2)CC1	REAL300004952351	0	46	-2.0	-118.03	367.91	6.24	-111.79
CCOCCS(=O)(=O)NCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952352	0	44	-2.0	-124.97	370.62	1.56	-123.41
CC1=CN2C=CN=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=N1	REAL300004952353	0	38	-2.0	-138.87	315.85	7.59	-131.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC(N3CCOCC3)=C2)CC1	REAL300004952354	0	45	-2.0	-121.03	351.87	4.18	-116.85
COC1=CC=CC=C1N1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004952355	0	47	-2.0	-129.48	377.83	8.29	-121.19
CC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C2=CC=CC=C2)S1	REAL300004952356	0	42	-2.0	-130.59	362.27	8.96	-121.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3=CC=CC=C3)SC=N2)CC1	REAL300004952357	0	39	-2.0	-130.21	340.86	8.24	-121.97
CN(C)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC2=CC=CC=C21	REAL300004952358	0	46	-2.0	-130.50	367.70	8.28	-122.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3CCOC3)C=C2)CC1	REAL300004952359	0	45	-2.0	-124.19	358.67	6.85	-117.34
CC1=C(Br)C=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952360	0	39	-2.0	-121.90	332.88	9.28	-112.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(O)=C2OC(F)(F)F)CC1	REAL300004952361	0	38	-2.0	-126.46	330.76	5.55	-120.91
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(=O)NC2=CC=CC=C21	REAL300004952362	0	42	-2.0	-135.54	344.42	6.81	-128.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=CC=CN3C(C(F)(F)F)=N2)CC1	REAL300004952363	0	39	-2.0	-135.45	337.37	9.35	-126.10
CC1=NOC(C)=C1C(C)(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952364	0	44	-2.0	-123.72	328.03	6.88	-116.84
CCCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CN1	REAL300004952365	0	40	-2.0	-128.01	319.13	7.16	-120.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC3=CC=CC=C3N=C2C2CC2)CC1	REAL300004952366	0	44	-2.0	-127.90	363.62	8.05	-119.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CN=C3)CC2)CC1	REAL300004952367	0	39	-2.0	-122.55	316.45	7.26	-115.29
CN(C)C1=CC=CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952368	0	47	-2.0	-122.42	370.57	9.43	-112.99
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C(Br)C(=O)N1	REAL300004952369	0	36	-2.0	-119.00	319.84	5.38	-113.62
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N(C)CC(F)(F)F	REAL300004952370	0	40	-2.0	-119.92	321.95	5.19	-114.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC(N3CCOCC3)CC2)CC1	REAL300004952372	1	52	-2.0	-121.30	379.31	5.66	-115.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC3=NNN=C32)CC1	REAL300004952373	0	35	-2.0	-122.64	302.06	4.64	-118.00
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952374	0	46	-2.0	-125.68	370.01	8.53	-117.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CN=CN2CC2=CC=CC=C2)CC1	REAL300004952375	0	46	-2.0	-129.77	372.53	10.90	-118.87
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(CO)C2=CC=CC=C2)CC1	REAL300004952376	0	40	-2.0	-121.17	323.30	5.18	-115.99
NC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC(F)(F)F	REAL300004952377	0	39	-2.0	-122.99	332.68	4.96	-118.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(O)C(F)=C2)CC1	REAL300004952378	0	34	-2.0	-120.55	290.06	4.42	-116.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300004952378	1	33	-3.0	-176.16	286.50	5.19	-170.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC=C(Cl)C=C2)CC1	REAL300004952379	0	37	-2.0	-118.59	316.89	6.42	-112.17
CSCCC(O)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952380	0	37	-2.0	-119.75	308.97	4.84	-114.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(F)C3=CC=CC=C23)CC1	REAL300004952381	0	39	-2.0	-121.06	322.68	9.43	-111.63
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(Cl)=C1	REAL300004952382	0	36	-2.0	-122.41	309.12	8.29	-114.12
CC(C)CC1=CC=C(C(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952383	0	51	-2.0	-120.62	391.15	11.14	-109.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=CC(O)=CC=C32)CC1	REAL300004952384	0	40	-2.0	-127.13	329.50	6.64	-120.49
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCN2C=NC3=CC=CC=C32)CC1	REAL300004952385	0	45	-2.0	-127.09	367.38	10.56	-116.53
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(OC)=C1O	REAL300004952386	0	42	-2.0	-120.31	342.31	4.25	-116.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2NCC2=CC=CC=C2)CC1	REAL300004952387	0	48	-2.0	-125.14	388.10	10.05	-115.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3=CC=CC=C3C2)CC1	REAL300004952388	0	40	-2.0	-121.21	316.61	9.11	-112.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CN=C2N2CCCCC2)CC1	REAL300004952389	0	47	-2.0	-125.39	367.05	8.22	-117.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2O)CC1	REAL300004952390	0	37	-2.0	-119.89	322.65	5.61	-114.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])CC1	REAL300004952390	1	36	-3.0	-187.98	318.49	6.42	-181.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1	REAL300004952391	0	42	-2.0	-124.96	326.19	8.29	-116.67
CC(NS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952392	0	37	-2.0	-128.67	306.28	0.96	-127.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@H](O)C2=CC=CC=C2Cl)CC1	REAL300004952393	0	37	-2.0	-123.00	309.16	5.36	-117.64
CC(C)(C)C1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952394	0	48	-2.0	-121.29	373.34	10.50	-110.79
C[C@@H](OCC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952395	0	43	-2.0	-122.45	346.96	9.02	-113.43
NC1=C(Cl)C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300004952396	0	35	-2.0	-119.66	316.58	6.23	-113.43
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C(F)(F)F)O1	REAL300004952397	0	36	-2.0	-119.25	310.46	7.29	-111.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CNC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300004952398	0	41	-2.0	-119.52	349.23	7.47	-112.05
CC1=C2C(=NN1)N=C(C)C=C2C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952399	0	41	-2.0	-122.22	334.39	6.36	-115.86
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C(F)(F)F)=NN2)CC1	REAL300004952400	0	33	-2.0	-113.71	292.85	5.01	-108.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC(C(F)(F)F)=C2)CC1	REAL300004952400	1	33	-2.0	-121.55	293.96	5.22	-116.33
CC1=CC=CN2C=C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C12	REAL300004952401	0	42	-2.0	-134.81	345.20	9.42	-125.39
CC1=NC=CN1CCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952402	0	42	-2.0	-126.43	340.79	8.38	-118.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCCN2CCOCC2)CC1	REAL300004952403	0	48	-2.0	-122.29	368.96	5.28	-117.01
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1CCOCC1	REAL300004952404	0	45	-2.0	-124.73	327.51	5.57	-119.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3COCC(C2)C3=O)CC1	REAL300004952406	0	43	-2.0	-121.55	322.75	5.95	-115.60
CCC(CC)(CO)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952407	0	42	-2.0	-122.09	308.70	3.69	-118.40
CSCC(C)(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952408	0	39	-2.0	-118.33	306.78	6.87	-111.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCCS2)CC1	REAL300004952409	0	37	-2.0	-123.08	299.55	7.49	-115.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(=O)N2)CC1	REAL300004952410	0	30	-2.0	-116.15	271.43	3.08	-113.07
CCC(C)(C)C(O)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952411	0	42	-2.0	-118.50	306.58	5.63	-112.87
CSC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCC1	REAL300004952412	0	37	-2.0	-120.84	300.38	7.06	-113.78
COC(CC(C)C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952413	0	42	-2.0	-120.21	325.54	7.19	-113.02
C#CC1=CN=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952414	0	34	-2.0	-120.51	294.99	6.61	-113.90
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC1=CC=NC=C1	REAL300004952415	0	46	-2.0	-124.42	376.36	9.00	-115.42
CC(=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1C	REAL300004952416	0	43	-2.0	-122.70	343.20	10.01	-112.69
CC(O)(CC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952417	0	43	-2.0	-120.18	338.17	6.28	-113.90
CC(OC1=CC=CN=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952418	0	39	-2.0	-122.04	315.48	6.72	-115.32
CCC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=CC=CC=C1	REAL300004952419	0	45	-2.0	-132.39	367.14	9.81	-122.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN(CC2=CC=CN=C2)C2=CC=CC=C2)CC1	REAL300004952420	0	50	-2.0	-125.72	394.17	10.21	-115.51
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC=C2)=N1	REAL300004952421	0	43	-2.0	-127.58	355.74	8.47	-119.11
COCCCC(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952422	0	42	-2.0	-119.88	327.23	6.06	-113.82
CNS(=O)(=O)N1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004952423	0	46	-2.0	-122.90	362.24	2.33	-120.57
COCCCOCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952424	0	40	-2.0	-122.59	326.88	5.41	-117.18
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N2)=C1	REAL300004952425	0	47	-2.0	-122.91	387.37	7.59	-115.32
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC(C3=CC=C(Cl)C=C3)=C2)CC1	REAL300004952426	0	42	-2.0	-121.59	358.84	9.36	-112.23
CC1=CC=C(C2=CN=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)C=C1	REAL300004952427	0	45	-2.0	-122.95	363.52	9.52	-113.43
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC=N2)=NO1	REAL300004952428	0	41	-2.0	-125.02	351.16	7.58	-117.44
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CN=C2)=NO1	REAL300004952429	0	41	-2.0	-126.73	346.31	7.62	-119.11
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=NC=C2)=NO1	REAL300004952430	0	41	-2.0	-120.20	348.78	7.42	-112.78
CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1C=CC=N1	REAL300004952431	0	39	-2.0	-122.09	314.59	6.66	-115.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC(C3CCC3)=N2)CC1	REAL300004952432	0	39	-2.0	-127.02	319.06	5.87	-121.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(O)CCSC2)CC1	REAL300004952433	0	35	-2.0	-116.42	281.46	3.80	-112.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2(CN3C=NN=N3)CCCCC2)CC1	REAL300004952434	0	50	-2.0	-121.42	370.17	9.09	-112.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC=CC=C2OC2=CC=CC=C2)CC1	REAL300004952435	0	43	-2.0	-135.09	351.74	10.10	-124.99
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC=C(Cl)C=C2F)CC1	REAL300004952436	0	37	-2.0	-122.55	318.14	6.35	-116.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300004952437	0	37	-2.0	-117.78	333.59	6.93	-110.85
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1N1CCOCC1	REAL300004952438	0	49	-2.0	-124.13	380.61	7.40	-116.73
CN1C=C(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)O2)C=N1	REAL300004952439	0	40	-2.0	-125.10	339.04	7.20	-117.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(CN3C=CC=N3)=C2)CC1	REAL300004952442	0	39	-2.0	-130.62	332.86	6.89	-123.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN(CC2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300004952443	0	51	-2.0	-125.85	399.08	11.98	-113.87
CC1=NN(CC(F)(F)F)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952444	0	39	-2.0	-121.74	334.37	6.84	-114.90
COC1=CC=CC(C(C)CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952445	0	52	-2.0	-122.47	405.32	10.18	-112.29
CC1CC2=C(NN=C2)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004952446	0	43	-2.0	-120.75	337.47	6.67	-114.08
CC1CC2=CNN=C2C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004952446	1	43	-2.0	-129.15	335.08	6.67	-122.48
CC1=NOC(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2)=C1	REAL300004952447	0	39	-2.0	-121.76	324.73	7.49	-114.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CNC(=O)C=C2)CC1	REAL300004952448	0	39	-2.0	-125.08	323.14	5.87	-119.21
COC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300004952449	0	39	-2.0	-127.21	320.66	5.89	-121.32
CN1N=CC2=C1CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC2	REAL300004952450	0	43	-2.0	-121.25	338.61	7.40	-113.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C(O)C=C2)CC1	REAL300004952451	0	40	-2.0	-122.40	330.06	6.17	-116.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC3=NC=CC=C3C=C2)CC1	REAL300004952452	0	37	-2.0	-141.26	308.52	7.49	-133.77
CCS(=O)(=O)NC(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952453	0	40	-2.0	-127.71	327.74	1.83	-125.88
CC1=NN(C)C2=NC(C)=C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C(C)=C12	REAL300004952454	0	50	-2.0	-126.41	392.38	8.81	-117.60
CC1=NN(C2=CC=CC=N2)C(C)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952455	0	48	-2.0	-129.55	391.02	10.01	-119.54
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1C1=CC=CC=N1	REAL300004952456	0	46	-2.0	-131.43	367.54	10.11	-121.32
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1C1=CC=CN=C1	REAL300004952457	0	46	-2.0	-128.76	371.56	9.33	-119.43
CCS(=O)(=O)NCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952458	0	37	-2.0	-125.23	315.10	1.52	-123.71
CS(=O)(=O)NCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952459	0	37	-2.0	-127.87	316.17	1.36	-126.51
CC(C)(C)C1=CC=C(C(O)CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952460	0	55	-2.0	-121.55	423.36	8.98	-112.57
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(CC3=CC=C(F)C=C3)=N2)CC1	REAL300004952461	0	42	-2.0	-135.85	366.88	9.54	-126.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)F)C=C2)CC1	REAL300004952462	0	36	-2.0	-122.20	305.05	8.06	-114.14
CC1CCN(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=N2)CC1	REAL300004952463	0	50	-2.0	-120.13	384.17	8.46	-111.67
COC1=CC=C(CN2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=N2)C=C1	REAL300004952464	0	47	-2.0	-121.67	385.54	8.03	-113.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3CCCC3)N=C2)CC1	REAL300004952465	0	44	-2.0	-120.82	346.54	7.11	-113.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3C=NC4=CC=CC=C43)C=C2)CC1	REAL300004952466	0	46	-2.0	-123.67	379.66	11.84	-111.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1	REAL300004952467	0	45	-2.0	-122.32	349.70	2.87	-119.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3CCCC3)N=N2)CC1	REAL300004952468	0	43	-2.0	-129.40	341.42	6.36	-123.04
CN1CCN(C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2)CC1	REAL300004952469	0	53	-2.0	-121.53	402.26	6.55	-114.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CNC3=N2)CC1	REAL300004952471	0	36	-2.0	-149.28	299.78	7.31	-141.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C(F)F)=NN2)CC1	REAL300004952472	0	33	-2.0	-115.78	285.74	4.86	-110.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC(C(F)F)=C2)CC1	REAL300004952472	1	33	-2.0	-126.73	287.30	5.05	-121.68
CN1C=NC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CN=C21	REAL300004952473	0	38	-2.0	-130.74	316.81	7.69	-123.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(N3C=CC=N3)=C2)CC1	REAL300004952475	0	39	-2.0	-124.77	329.07	7.74	-117.03
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N(C)CC1=CC=CC=C1	REAL300004952476	1	47	-2.0	-120.80	363.95	7.56	-113.24
CC(C)CC1=CC=C([C@H](C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952477	0	51	-2.0	-119.57	393.78	11.19	-108.38
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1	REAL300004952478	0	44	-2.0	-122.13	347.24	6.26	-115.87
CCNC1=CC=C(Cl)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952479	0	41	-2.0	-122.89	343.81	7.53	-115.36
CNC1=CC(Cl)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952480	0	38	-2.0	-118.61	321.83	6.65	-111.96
CC(C)CCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004952481	0	44	-2.0	-129.70	353.26	7.01	-122.69
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=NN1CC	REAL300004952482	0	41	-2.0	-131.06	331.13	6.21	-124.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(C=CO3)S2)CC1	REAL300004952483	0	33	-2.0	-123.24	289.96	6.48	-116.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2CCN(C3=CC=CC=N3)CC2)CC1	REAL300004952484	0	49	-2.0	-127.13	379.36	5.89	-121.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNC(C3=CC=CC=C3)=N2)CC1	REAL300004952485	0	40	-2.0	-135.90	332.63	8.49	-127.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3=CC=CC=C3)N2)CC1	REAL300004952485	1	40	-2.0	-118.51	330.93	8.15	-110.36
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNN=C2C2=CC=CC=C2Cl)CC1	REAL300004952487	0	40	-2.0	-123.19	342.28	7.82	-115.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNN=C2C2=CC=CC(Cl)=C2)CC1	REAL300004952488	0	40	-2.0	-122.70	351.18	7.72	-114.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC=C3Br)CC2)CC1	REAL300004952489	0	40	-2.0	-122.92	337.69	9.53	-113.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3=CC=CN=C3)S2)CC1	REAL300004952490	0	38	-2.0	-121.75	332.61	6.34	-115.41
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC(Cl)=C2)=NO1	REAL300004952491	0	42	-2.0	-121.10	370.28	9.69	-111.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCOC2=CC=C3CCCCC3=C2)CC1	REAL300004952492	0	53	-2.0	-124.48	411.73	11.11	-113.37
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=C(Cl)C=CC=C12	REAL300004952493	0	40	-2.0	-121.29	345.17	8.25	-113.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3=CC=CC=C3)N(CCO)N=C2)CC1	REAL300004952494	0	47	-2.0	-127.23	384.06	5.70	-121.53
CCC(O)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300004952495	0	43	-2.0	-123.21	339.75	7.07	-116.14
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC(Cl)=CC=C2N1	REAL300004952496	0	40	-2.0	-128.48	347.53	8.52	-119.96
CCCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1CCCC1	REAL300004952497	0	52	-2.0	-125.53	401.84	9.83	-115.70
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1CCCC1	REAL300004952498	0	49	-2.0	-125.27	380.30	9.05	-116.22
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1CCCCC1	REAL300004952499	0	49	-2.0	-124.32	377.32	8.90	-115.42
CCCCN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004952500	0	45	-2.0	-123.33	357.03	7.77	-115.56
CCCCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=N1	REAL300004952501	0	45	-2.0	-121.33	361.78	7.96	-113.37
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C(CC)CC	REAL300004952502	0	51	-2.0	-125.26	391.77	9.08	-116.18
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952503	0	39	-3.0	-181.43	341.64	3.29	-178.14
CS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952503	1	40	-2.0	-126.03	341.71	3.44	-122.59
COC1=CC=CN=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952504	0	39	-2.0	-128.18	320.99	5.74	-122.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3(O)CCOCC3)OC=C2)CC1	REAL300004952505	0	45	-2.0	-121.79	351.10	4.59	-117.20
CN(C)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CN=CN1C	REAL300004952506	0	44	-2.0	-125.14	336.09	5.39	-119.75
CN1N=NC2=C1CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC2	REAL300004952507	0	42	-2.0	-122.75	332.67	6.13	-116.62
CN1C=C2C(=N1)CCCC2C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952508	0	43	-2.0	-123.59	339.09	7.43	-116.16
CN1C=C(C(O)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952509	0	37	-2.0	-121.85	304.38	3.57	-118.28
CN(C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952510	1	43	-2.0	-123.04	343.80	4.67	-118.37
CC1(C2=CC=CC=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004952511	0	43	-2.0	-125.84	340.52	9.72	-116.12
CCC(C)(C)C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952512	0	48	-2.0	-122.66	347.69	10.31	-112.35
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC3=CC=CN=C3)C=C2)CC1	REAL300004952513	0	46	-2.0	-124.94	378.94	8.70	-116.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2OCC2=CC=NC=C2)CC1	REAL300004952514	0	46	-2.0	-130.90	378.90	9.30	-121.60
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1CC1=CC=CC=N1	REAL300004952515	0	49	-2.0	-134.42	393.18	10.09	-124.33
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300004952516	0	42	-2.0	-126.49	345.80	8.60	-117.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=CC=NC2=O)CC1	REAL300004952517	0	35	-2.0	-136.38	296.75	4.64	-131.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CN3CCOCC3)=C2)CC1	REAL300004952518	0	49	-2.0	-124.95	382.32	6.31	-118.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)N2CCC(O)CC2)CC1	REAL300004952520	1	52	-2.0	-121.47	394.12	5.75	-115.72
CCN(C)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004952521	1	47	-2.0	-121.33	362.64	7.80	-113.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CSC(C3=NNC=N3)=N2)CC1	REAL300004952522	0	38	-2.0	-136.24	338.08	6.29	-129.95
CN1CCOC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004952523	0	39	-2.0	-120.91	304.17	3.77	-117.14
CCN1N=C(C)C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004952524	0	45	-2.0	-123.95	360.84	7.83	-116.12
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300004952525	0	45	-2.0	-125.97	370.21	6.01	-119.96
CCN(CC)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004952526	1	50	-2.0	-123.10	373.77	8.14	-114.96
CC(C)COC1=NC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952527	0	45	-2.0	-127.01	364.60	6.64	-120.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3CCCNC3=N2)CC1	REAL300004952528	0	38	-2.0	-132.16	307.96	7.02	-125.14
CSCCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952529	0	39	-2.0	-120.14	324.87	7.98	-112.16
CSC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004952530	0	40	-2.0	-123.48	336.33	9.20	-114.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=C(Cl)C=N2)CC1	REAL300004952531	0	33	-2.0	-124.69	294.88	6.11	-118.58
COC1=CC=CC(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2)=C1	REAL300004952532	0	44	-2.0	-128.22	352.45	8.44	-119.78
CN(C)S(=O)(=O)NCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952533	0	39	-2.0	-122.26	328.37	0.98	-121.28
CC(C)C1=NC=CN1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952534	0	42	-2.0	-122.68	340.24	8.06	-114.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC(C3CC3)=N2)CC1	REAL300004952535	0	36	-2.0	-127.59	302.49	5.37	-122.22
CNC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004952536	0	34	-2.0	-129.74	294.81	5.08	-124.66
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CC3)NC2=O)CC1	REAL300004952537	0	39	-2.0	-134.54	318.03	5.62	-128.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300004952537	1	38	-3.0	-193.30	325.87	4.67	-188.63
CN(C)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300004952538	0	44	-2.0	-119.37	360.78	7.52	-111.85
CCN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C1=CC=CC=C1	REAL300004952539	0	46	-2.0	-129.04	372.68	9.06	-119.98
CC(C)(C)OCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004952540	0	45	-2.0	-124.58	359.95	6.99	-117.59
CC=CCOC1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952541	0	47	-2.0	-123.31	383.11	9.84	-113.47
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1CCC(C)C	REAL300004952542	0	48	-2.0	-124.05	377.60	8.37	-115.68
CC(C)CC1=CC=CC(C(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952543	0	51	-2.0	-121.75	392.93	11.28	-110.47
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952544	0	43	-2.0	-120.85	359.49	9.03	-111.82
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(OC(F)F)=C1	REAL300004952545	0	41	-2.0	-124.94	342.66	6.44	-118.50
COCCOC1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952546	0	47	-2.0	-126.40	382.12	7.67	-118.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC(F)F)C(F)=C2)CC1	REAL300004952547	0	37	-2.0	-120.95	318.25	6.85	-114.10
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=CC=C(F)C=C1	REAL300004952548	0	43	-2.0	-131.38	356.43	9.41	-121.97
CC(C)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=CC=CC=C1	REAL300004952549	0	49	-2.0	-132.81	387.37	10.47	-122.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CCC3=CC=CC=C3)N=N2)CC1	REAL300004952550	0	45	-2.0	-129.86	374.10	8.76	-121.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCOC2=CC=C3CCCC3=C2)CC1	REAL300004952552	0	50	-2.0	-123.28	394.04	10.48	-112.80
CC1=NN(CC(F)F)C(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952553	0	42	-2.0	-123.63	355.93	7.36	-116.27
CN1C=C(CNC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)C=N1	REAL300004952554	0	48	-2.0	-128.98	391.97	7.61	-121.37
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952555	0	48	-2.0	-125.72	381.14	8.54	-117.18
CCSCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004952556	0	39	-2.0	-125.36	336.32	7.92	-117.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC=C2N2C=CC=N2)CC1	REAL300004952557	0	40	-2.0	-133.20	334.02	8.76	-124.44
CC(C)(C)C1=NNC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952559	0	42	-2.0	-121.65	328.54	6.00	-115.65
NC1=C2N=CN(CCCCC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=NC=N1	REAL300004952560	0	48	-2.0	-128.48	394.13	9.17	-119.31
CCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1CCOC(CC)C1	REAL300004952561	0	51	-2.0	-121.96	374.80	5.82	-116.14
CCN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC1=CC=CC=C1Cl	REAL300004952562	0	47	-2.0	-124.30	377.94	8.25	-116.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCN(CC(F)(F)F)CC2)CC1	REAL300004952563	0	47	-2.0	-120.39	368.83	7.26	-113.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCN(CC(F)F)C2)CC1	REAL300004952565	0	44	-2.0	-123.72	336.42	5.70	-118.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=C2NN=N3)CC1	REAL300004952566	0	39	-2.0	-121.29	306.96	4.84	-116.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=NNN=C32)CC1	REAL300004952566	1	39	-2.0	-126.29	304.09	4.96	-121.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC(C2=NC=CN2)C2=CC=CC=C2)CC1	REAL300004952567	0	46	-2.0	-129.89	366.77	9.43	-120.46
CC1=NC=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952568	0	38	-2.0	-123.66	309.84	6.95	-116.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC3=CC(O)=CC=C23)CC1	REAL300004952569	0	37	-2.0	-122.95	312.68	4.85	-118.10
CC(C)(C)CC(C)(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952570	0	47	-2.0	-124.69	323.15	8.40	-116.29
CC1CN(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=N2)CC(C)O1	REAL300004952571	0	51	-2.0	-120.65	396.82	6.89	-113.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC(C3=CC=CC=C3)=C2)CC1	REAL300004952572	0	42	-2.0	-122.74	341.47	8.72	-114.02
CN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=NC2=CC=CC=C2S1	REAL300004952573	0	43	-2.0	-128.25	364.34	9.21	-119.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(NC3=NC=CC=N3)=C2)CC1	REAL300004952574	0	43	-2.0	-129.57	352.47	9.66	-119.91
CC(OC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1)C1=CC=CC=C1	REAL300004952575	0	49	-2.0	-120.36	400.76	8.80	-111.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H](O)CC2=CC=CC=C2)CC1	REAL300004952577	0	40	-2.0	-120.16	325.17	6.69	-113.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H](O)C2=CC=CC=C2)CC1	REAL300004952578	0	37	-2.0	-119.69	300.16	5.90	-113.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300004952579	0	40	-2.0	-121.49	339.24	6.92	-114.57
COC1=CC(C)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952580	0	40	-2.0	-127.82	324.90	7.50	-120.32
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@H](O)C2=CC=CC=C2)CC1	REAL300004952581	0	37	-2.0	-118.16	299.64	5.86	-112.30
CC1=CC=C(F)C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952582	0	39	-2.0	-124.79	324.47	8.92	-115.87
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(O)=CC=C2Cl)CC1	REAL300004952583	0	34	-2.0	-124.77	294.89	4.77	-120.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC=CN=C2)CC1	REAL300004952585	0	36	-2.0	-120.00	295.03	4.11	-115.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CN(CC3=CC=CC=C3)CCO2)CC1	REAL300004952586	0	52	-2.0	-125.30	404.22	8.03	-117.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2CN2CCOCC2)CC1	REAL300004952587	0	49	-2.0	-127.43	379.28	6.15	-121.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3C=CC=NN32)CC1	REAL300004952588	0	36	-2.0	-132.85	293.36	7.62	-125.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3NC=CC(=O)N3N=C2)CC1	REAL300004952589	0	36	-2.0	-130.02	302.44	4.92	-125.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3C=CC=NN23)CC1	REAL300004952590	0	35	-2.0	-129.70	295.74	6.39	-123.31
CC1=CC(C(F)(F)F)=NN1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952591	0	39	-2.0	-124.10	340.13	7.01	-117.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(OCC(F)(F)F)=C2)CC1	REAL300004952592	0	40	-2.0	-128.51	343.77	7.88	-120.63
CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CNC2=CC=CC=C12	REAL300004952593	0	46	-2.0	-125.17	367.05	9.60	-115.57
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(C3=CC=CC(O)=C3)=C2)CC1	REAL300004952594	0	40	-2.0	-126.65	339.78	5.99	-120.66
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952595	0	53	-2.0	-123.89	401.89	9.69	-114.20
CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952596	0	53	-2.0	-124.05	396.05	9.42	-114.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC(OCC3=CC=CC=C3)C2)CC1	REAL300004952597	0	47	-2.0	-123.08	379.07	9.48	-113.60
CC(OC1=CC=CC(CO)=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952599	0	44	-2.0	-123.75	353.15	5.77	-117.98
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=NC=C1	REAL300004952600	0	42	-2.0	-123.44	344.88	7.01	-116.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNC=C2C2=CC=CC=C2F)CC1	REAL300004952601	0	41	-2.0	-130.04	340.60	8.73	-121.31
CN1C=C(C2=NNC=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952602	0	40	-2.0	-129.97	338.20	5.08	-124.89
CN1C=C(C2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=NN2)C=N1	REAL300004952602	1	40	-2.0	-130.58	336.34	4.97	-125.61
CCN1C=C(C2=NNC=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952603	0	43	-2.0	-127.65	355.03	5.99	-121.66
CCN1C=C(C2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=NN2)C=N1	REAL300004952603	1	43	-2.0	-131.02	357.85	5.82	-125.20
CN1C=C(C2=NN(C)C=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952604	0	43	-2.0	-131.06	360.97	6.39	-124.67
CCN1C=C(C2=NN(C)C=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952605	0	46	-2.0	-131.24	382.51	7.28	-123.96
CCN1C=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952606	0	39	-2.0	-123.97	321.49	6.83	-117.14
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CN(C)C2=CC=CC=C12	REAL300004952607	0	46	-2.0	-125.23	368.39	10.38	-114.85
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC(C2=CC(C)=CC=C2)=N1	REAL300004952609	0	46	-2.0	-119.18	371.71	9.37	-109.81
CC1=NC2=CC=CC=C2N1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952610	0	42	-2.0	-125.40	344.76	8.99	-116.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C3OC(F)(F)OC3=C2)CC1	REAL300004952611	0	39	-2.0	-122.70	337.24	7.32	-115.38
NS(=O)(=O)N1CCCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004952612	0	43	-2.0	-127.64	346.60	1.44	-126.20
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952613	0	47	-2.0	-133.36	380.31	4.32	-129.04
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1OCCC2=C1C=CS2	REAL300004952614	0	44	-2.0	-125.31	352.49	8.99	-116.32
NC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC(N2CCOCC2)=N1	REAL300004952615	0	45	-2.0	-122.58	363.28	6.31	-116.27
CC1=CN2C=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC2=N1	REAL300004952616	0	39	-2.0	-126.28	325.04	8.46	-117.82
CNC1=CC=C(Cl)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952617	0	38	-2.0	-124.70	322.64	6.47	-118.23
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(CO)=NO1	REAL300004952618	0	36	-2.0	-118.38	307.86	2.91	-115.47
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CN1C	REAL300004952619	0	40	-2.0	-128.66	319.75	8.08	-120.58
CN1C=C(C2=NC=CC=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952620	0	42	-2.0	-130.81	346.98	6.51	-124.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(CN3CCCC3)=C2)CC1	REAL300004952621	0	44	-2.0	-125.19	350.95	5.78	-119.41
N#CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCSCC1	REAL300004952623	0	38	-2.0	-117.93	305.22	6.55	-111.38
CC(C)(C)CC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952624	0	48	-2.0	-126.65	355.46	9.82	-116.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C4OCOC4=C3)CC2)CC1	REAL300004952625	0	43	-2.0	-128.57	349.00	7.81	-120.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@]23C[C@H]2COC32CCC2)CC1	REAL300004952626	0	42	-2.0	-123.58	315.21	6.70	-116.88
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCC2(CC1)OCCO2	REAL300004952627	0	48	-2.0	-124.28	347.39	6.36	-117.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC3=C2C(=O)CCC3)CC1	REAL300004952628	0	39	-2.0	-135.26	318.14	8.15	-127.11
CC(C)CC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952629	0	49	-2.0	-123.71	387.63	11.41	-112.30
CS(=O)(=O)NC1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952630	0	44	-2.0	-126.70	370.52	4.91	-121.79
CC1=NC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)S1	REAL300004952631	0	38	-2.0	-123.62	323.37	6.59	-117.03
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(=O)N1	REAL300004952632	0	36	-2.0	-126.67	303.59	4.88	-121.79
COC1=CC=C(C2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CO2)C=C1	REAL300004952633	0	43	-2.0	-128.54	356.62	4.94	-123.60
CNC1=NC(C)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952634	0	40	-2.0	-121.96	324.17	6.22	-115.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CN(CC3=CC=CC=C3)CCO2)CC1	REAL300004952635	0	49	-2.0	-121.39	379.47	7.27	-114.12
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NN2C2=CC=CC=C2)CC1	REAL300004952636	0	40	-2.0	-122.48	326.34	8.24	-114.24
COC1=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(OC)=C1O	REAL300004952637	0	45	-2.0	-125.45	367.12	5.23	-120.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C(F)(F)F)CCC2)CC1	REAL300004952638	0	36	-2.0	-120.64	288.43	6.73	-113.91
COCCS(=O)(=O)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952639	0	39	-2.0	-132.59	334.29	2.24	-130.35
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OCCO	REAL300004952640	0	45	-2.0	-125.56	364.73	4.25	-121.31
CN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=C2NC=NC2=NC=N1	REAL300004952641	0	42	-2.0	-127.62	339.18	6.98	-120.64
CN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=C2N=CNC2=NC=N1	REAL300004952641	1	42	-2.0	-127.55	340.18	7.12	-120.43
CN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=C2N=CN=C2NC=N1	REAL300004952641	1	42	-2.0	-130.68	343.81	8.86	-121.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=CC=CC=N2)CC1	REAL300004952642	0	41	-2.0	-126.60	334.71	8.03	-118.57
CC(C)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952643	0	43	-2.0	-121.77	343.14	6.56	-115.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3CCCC3)C(F)=C2)CC1	REAL300004952644	0	45	-2.0	-124.05	351.45	7.53	-116.52
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3CCOCC3)C(F)=C2)CC1	REAL300004952645	0	46	-2.0	-121.55	366.76	6.33	-115.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC=C2N2CCOCC2)CC1	REAL300004952646	0	46	-2.0	-125.99	361.32	6.36	-119.63
COC1=CC=CC(C(O)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952647	0	41	-2.0	-122.54	329.68	5.20	-117.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CC=C(F)C=C3)CC2)CC1	REAL300004952648	0	43	-2.0	-127.62	348.01	9.83	-117.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CO)CCOCC2)CC1	REAL300004952649	0	41	-2.0	-122.69	302.60	1.88	-120.81
CC(C)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=N1	REAL300004952650	0	38	-2.0	-120.08	323.64	6.44	-113.64
COCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=N1	REAL300004952651	0	36	-2.0	-121.13	310.02	3.99	-117.14
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCCC1	REAL300004952652	0	48	-2.0	-122.97	334.77	8.70	-114.27
COCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCC1	REAL300004952653	0	43	-2.0	-123.67	321.85	6.14	-117.53
COCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCOCC1	REAL300004952654	0	44	-2.0	-122.01	324.85	4.27	-117.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC3=NNN=C3C=C2)CC1	REAL300004952655	0	34	-2.0	-129.82	287.60	4.60	-125.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3CCCC3=C2)CC1	REAL300004952656	0	37	-2.0	-132.34	299.58	6.44	-125.90
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=N1	REAL300004952657	0	35	-2.0	-120.82	298.43	5.71	-115.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=CC=CC=C2Cl)CC1	REAL300004952658	0	42	-2.0	-123.78	353.16	10.18	-113.60
CC(C)(C)N1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004952659	0	41	-2.0	-129.56	331.34	6.07	-123.49
CC(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004952660	0	35	-2.0	-117.17	299.40	6.08	-111.09
CC1=CN2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC2=C1	REAL300004952661	0	40	-2.0	-120.80	331.17	9.65	-111.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2C2=CNN=C2)CC1	REAL300004952662	0	40	-2.0	-132.66	331.51	7.18	-125.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2OC2CC2)CC1	REAL300004952663	0	41	-2.0	-130.99	329.28	9.18	-121.81
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(OC(F)F)=C2)CC1	REAL300004952664	0	36	-2.0	-121.41	311.02	4.62	-116.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC3=CC=CN=C3S2)CC1	REAL300004952665	0	34	-2.0	-125.66	300.46	4.75	-120.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CC(F)(F)F)N=C2)CC1	REAL300004952666	0	36	-2.0	-122.06	314.55	6.29	-115.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=NC=CN3N=C2)CC1	REAL300004952667	0	35	-2.0	-124.30	292.56	5.05	-119.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3CCOC3=C2)CC1	REAL300004952668	0	35	-2.0	-127.71	290.48	3.54	-124.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=NNN=C3N=C2)CC1	REAL300004952669	0	34	-2.0	-118.45	286.10	3.66	-114.79
CCC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004952670	0	38	-2.0	-131.18	310.02	7.63	-123.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=CC=NN3N=C2)CC1	REAL300004952671	0	35	-2.0	-130.25	293.19	5.16	-125.09
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC(F)=CC=C21	REAL300004952672	0	40	-2.0	-129.67	334.87	9.03	-120.64
COC1=CC=C2CCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300004952673	0	44	-2.0	-126.31	349.91	8.47	-117.84
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)F)=N1	REAL300004952674	0	36	-2.0	-126.12	307.75	5.78	-120.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(C3CCCCC3)=N2)CC1	REAL300004952675	0	45	-2.0	-130.03	362.09	8.97	-121.06
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(C2CCCCC2)=N1	REAL300004952676	0	48	-2.0	-119.54	378.26	8.76	-110.78
COC1=CC=C2ON=C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300004952677	0	42	-2.0	-128.07	350.54	6.84	-121.23
CN(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952678	0	47	-2.0	-127.92	392.39	6.26	-121.66
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=CC=C2N2CCOCC2)CC1	REAL300004952679	0	52	-2.0	-122.37	404.42	8.46	-113.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC(O)C2=CC=C(Cl)C=C2)CC1	REAL300004952680	0	40	-2.0	-123.10	342.45	7.27	-115.83
CC1(C)CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300004952681	0	47	-2.0	-122.53	361.49	8.97	-113.56
COCCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004952682	0	39	-2.0	-128.60	326.36	4.03	-124.57
CCC(C)(C)OCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952683	0	42	-2.0	-122.33	323.32	7.38	-114.95
COC1=CC=CC(N2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=N2)=C1	REAL300004952684	0	43	-2.0	-133.41	356.55	6.77	-126.64
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC2=CC=CC=C2C=C1	REAL300004952685	0	45	-2.0	-123.53	357.61	10.87	-112.66
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C2OCOC2=C1	REAL300004952686	0	45	-2.0	-126.93	341.67	7.37	-119.56
CC(O)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300004952687	0	40	-2.0	-116.68	332.87	6.05	-110.63
CNC1=NC=NC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300004952688	0	42	-2.0	-124.76	342.82	7.39	-117.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3=CC(Br)=CC=C3O2)CC1	REAL300004952689	0	38	-2.0	-120.24	329.85	8.89	-111.35
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004952690	0	43	-3.0	-203.31	370.76	7.47	-195.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(NCC3=CSC=C3)C=C2)CC1	REAL300004952691	0	45	-2.0	-124.68	379.14	8.75	-115.93
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1CCSCC1	REAL300004952692	0	42	-2.0	-120.02	323.00	5.53	-114.49
CC(C)CC1=CC=C(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952693	0	54	-2.0	-122.65	421.73	12.50	-110.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(NCC3CC3)N=C2)CC1	REAL300004952694	0	44	-2.0	-121.41	355.55	7.44	-113.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])CC1	REAL300004952695	0	40	-3.0	-207.97	344.50	7.04	-200.93
CC(C)(C)SC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=N1	REAL300004952696	0	45	-2.0	-121.89	363.62	9.51	-112.38
COC1=CC=C(COCCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952697	0	50	-2.0	-125.56	404.07	8.39	-117.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(C3=NC=CN3)=C2)CC1	REAL300004952699	0	39	-2.0	-129.69	328.26	5.86	-123.83
CN(CCC1=CC=CC=C1)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952700	1	47	-2.0	-121.92	370.50	8.08	-113.84
CC1=CN(C2CCOCC2)N=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952702	0	47	-2.0	-129.91	366.76	7.10	-122.81
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2N=NC3=C2CCCC3)CC1	REAL300004952703	0	42	-2.0	-126.76	336.13	6.63	-120.13
NS(=O)(=O)C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004952704	0	35	-2.0	-126.84	297.99	0.82	-126.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC=CN3C=CN=C23)CC1	REAL300004952706	0	35	-2.0	-137.44	294.97	6.89	-130.55
COCCOCCC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CN1	REAL300004952707	0	47	-2.0	-134.62	385.27	5.34	-129.28
COCCOCCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N1	REAL300004952707	1	47	-2.0	-119.68	383.67	5.02	-114.66
CC1=NC(C2CC2)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952708	0	42	-2.0	-120.48	336.76	8.04	-112.44
N#CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCCC1	REAL300004952709	0	40	-2.0	-120.56	307.03	6.97	-113.59
N#CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC2(CC2)C1	REAL300004952710	0	38	-2.0	-121.97	311.64	7.65	-114.32
N#CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCOC1	REAL300004952711	0	38	-2.0	-121.83	300.25	4.84	-116.99
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CN=C2N2CCOCC2)CC1	REAL300004952712	0	45	-2.0	-124.11	359.15	5.75	-118.36
NS(=O)(=O)N1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004952713	0	43	-2.0	-123.84	342.81	1.21	-122.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCNS(=O)(=O)C2=CC=CN=C2)CC1	REAL300004952714	0	43	-2.0	-125.79	368.27	2.75	-123.04
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=N1	REAL300004952715	0	36	-2.0	-121.50	299.83	3.91	-117.59
CNC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952716	0	37	-2.0	-122.42	302.51	5.07	-117.35
CN(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952717	0	40	-2.0	-122.74	321.29	7.02	-115.72
CCCC1=NNC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952718	0	39	-2.0	-121.24	315.47	5.72	-115.52
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300004952719	0	45	-2.0	-126.67	365.06	9.36	-117.31
CC(C)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=CC=N1	REAL300004952720	0	48	-2.0	-126.83	381.27	9.70	-117.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC3=C2CCC3)CC1	REAL300004952721	0	37	-2.0	-130.46	298.50	6.14	-124.32
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCCN2CC2=CC=NC=C2)CC1	REAL300004952722	0	50	-2.0	-122.32	382.94	7.08	-115.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCCN2CC2=CC=CN=C2)CC1	REAL300004952723	0	50	-2.0	-122.54	383.97	7.20	-115.34
CC1=NNC(C)=C1C(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952724	0	42	-2.0	-123.37	321.97	5.84	-117.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CNC2=CC=CC=N2)CC1	REAL300004952726	0	37	-2.0	-122.24	305.31	5.57	-116.67
COC1=CC(C)=CN=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952727	0	39	-2.0	-135.93	316.20	7.46	-128.47
CC(C)(C)C1=CN=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004952728	0	47	-2.0	-121.53	377.03	6.44	-115.09
CSC1=CC=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952729	0	40	-2.0	-125.60	335.10	9.14	-116.46
CCC1=NN(C)C(CC)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952730	0	48	-2.0	-125.50	378.03	8.39	-117.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COCC2CCCC2)CC1	REAL300004952731	0	43	-2.0	-122.56	338.27	8.31	-114.25
CCSC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952732	0	43	-2.0	-121.29	358.82	10.04	-111.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(F)(F)F)N=CS2)CC1	REAL300004952733	0	32	-2.0	-120.90	300.06	5.51	-115.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=CC=CC(O)=C32)CC1	REAL300004952734	0	40	-2.0	-128.60	326.12	8.17	-120.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)CC1	REAL300004952736	0	39	-2.0	-135.06	321.35	7.12	-127.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300004952736	1	38	-3.0	-209.32	317.79	8.12	-201.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CN=C2C2CC2)CC1	REAL300004952737	0	39	-2.0	-122.47	318.00	7.79	-114.68
CC1=CC=CC(Cl)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952738	0	39	-2.0	-123.17	328.70	9.17	-114.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3OCCCN3N=C2)CC1	REAL300004952739	0	38	-2.0	-127.08	308.99	4.21	-122.87
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CN=CC(O)=C2)CC1	REAL300004952740	0	36	-2.0	-124.80	303.52	3.57	-121.23
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCC(=O)CC1	REAL300004952741	0	41	-2.0	-122.81	304.11	6.65	-116.16
CCOC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CO1	REAL300004952742	0	36	-2.0	-128.40	303.80	3.40	-125.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CN=CN3C=C2)CC1	REAL300004952743	0	36	-2.0	-123.95	304.63	8.82	-115.13
CN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC(F)F	REAL300004952744	0	37	-2.0	-129.35	317.58	4.45	-124.90
CC(C)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004952745	0	41	-2.0	-132.39	327.46	8.09	-124.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC(F)F)C=N2)CC1	REAL300004952746	0	36	-2.0	-131.47	306.59	5.80	-125.67
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCOCC1	REAL300004952747	0	46	-2.0	-123.22	328.81	6.24	-116.98
CCC1=CC=CC=C1N1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004952748	0	45	-2.0	-130.25	361.87	8.97	-121.28
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004952749	0	42	-2.0	-127.76	349.59	8.29	-119.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=COC3=CC(F)=CC=C23)CC1	REAL300004952750	0	39	-2.0	-123.01	331.89	8.64	-114.37
CN(C)S(=O)(=O)N(C)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952751	0	42	-2.0	-129.31	348.68	3.05	-126.26
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(NCC3=CC=CC=N3)=C2)CC1	REAL300004952752	0	47	-2.0	-127.08	383.50	7.94	-119.14
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952753	0	45	-2.0	-128.97	372.62	6.21	-122.76
CC1=NN(C)C(N2C=CC=N2)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952754	0	43	-2.0	-130.17	356.71	7.61	-122.56
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(C2=CC=CC=C2C)=N1	REAL300004952755	0	45	-2.0	-121.90	368.81	9.83	-112.07
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004952756	0	44	-2.0	-117.69	368.66	7.51	-110.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300004952757	0	41	-2.0	-127.57	357.79	9.78	-117.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2CCOC2)CC1	REAL300004952758	0	38	-2.0	-122.78	307.16	5.02	-117.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(OCC3=CC=CC=N3)C=C2)CC1	REAL300004952759	0	49	-2.0	-125.95	401.67	9.81	-116.14
CC(OC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1)C1=CC=CC=C1	REAL300004952760	0	50	-2.0	-123.51	402.22	11.15	-112.36
CN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCSC1	REAL300004952761	1	42	-2.0	-120.27	332.01	5.91	-114.36
CC(C)CN1C=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C21	REAL300004952762	0	49	-2.0	-129.88	389.96	11.23	-118.65
CC1=CC=C(C2=CNC=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004952763	0	41	-2.0	-128.16	349.62	8.67	-119.49
CC1=CC=CC=C1N1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004952764	0	42	-2.0	-130.65	342.67	8.19	-122.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C3=C(F)C=CC=C3F)=C2)CC1	REAL300004952765	0	43	-2.0	-127.64	364.65	10.89	-116.75
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C(C(C)C)O1	REAL300004952766	0	41	-2.0	-128.25	331.13	5.97	-122.28
CC(OCC1=CC=NC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952767	0	42	-2.0	-122.78	342.19	7.27	-115.51
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952768	0	40	-2.0	-123.97	327.47	8.68	-115.29
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CC(O)CO)N=C2)CC1	REAL300004952769	0	41	-2.0	-132.21	339.41	0.34	-131.87
CCC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300004952770	0	41	-2.0	-127.14	334.01	8.03	-119.11
CN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=C1CCCC2	REAL300004952771	0	43	-2.0	-132.81	335.84	7.94	-124.87
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(CO)=N2)CC1	REAL300004952772	0	33	-2.0	-131.84	290.73	2.40	-129.44
CCON1CCC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004952773	0	48	-2.0	-122.55	369.66	7.26	-115.29
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CN=C2)CC1	REAL300004952774	0	39	-2.0	-122.99	319.87	7.74	-115.25
CN(C)C1=CC=CN=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952775	0	40	-2.0	-134.33	319.69	6.91	-127.42
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952779	0	50	-2.0	-124.59	383.19	9.64	-114.95
N#CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC12CCCC2	REAL300004952781	0	41	-2.0	-121.87	327.67	8.35	-113.52
N#CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC2CCC1CC2	REAL300004952782	0	44	-2.0	-122.30	325.09	8.03	-114.27
CC1=NN(C)C2=NC(C)=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C12	REAL300004952783	0	44	-2.0	-118.67	357.01	7.49	-111.18
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC2=NC=CC(C)=C12	REAL300004952784	0	41	-2.0	-127.87	335.02	7.72	-120.15
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C	REAL300004952785	0	39	-2.0	-124.78	317.37	6.20	-118.58
CCCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C	REAL300004952786	0	42	-2.0	-124.99	338.87	6.98	-118.01
CN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C(F)(F)F	REAL300004952787	0	36	-2.0	-121.73	310.15	5.69	-116.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CNC2=CC=CC(Cl)=C2)CC1	REAL300004952788	0	38	-2.0	-117.46	326.76	6.94	-110.52
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNN=C2C2=CC=NC=C2)CC1	REAL300004952790	0	39	-2.0	-124.00	329.30	5.47	-118.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=CC(F)=C3)=NO2)CC1	REAL300004952791	0	39	-2.0	-120.16	335.22	8.46	-111.70
CC(=O)C1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952793	0	41	-2.0	-123.78	337.66	8.57	-115.21
CN1C=C(S(=O)(=O)NCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952794	0	41	-2.0	-126.21	355.79	1.55	-124.66
CN1C=C(C2=CN=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)C=N1	REAL300004952795	0	42	-2.0	-127.59	347.41	6.59	-121.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=NC3=CC=CNC3=N2)CC1	REAL300004952796	0	41	-2.0	-141.79	338.65	7.17	-134.62
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1CCC2=CC=CC=C2C1	REAL300004952797	1	48	-2.0	-123.44	360.60	7.85	-115.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC=CN3C=CN=C23)CC1	REAL300004952798	0	35	-2.0	-137.44	294.97	6.89	-130.55
CC1=NC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1C	REAL300004952799	0	40	-2.0	-124.90	325.75	5.40	-119.50
CC1=CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C2C=C1	REAL300004952800	0	41	-2.0	-132.61	334.95	9.07	-123.54
CC1=CN=CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952801	0	41	-2.0	-121.86	335.33	7.89	-113.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC3=CN=CC=C3S2)CC1	REAL300004952802	0	34	-2.0	-125.13	300.36	5.83	-119.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC2C2=CC=CC=C2)CC1	REAL300004952803	0	46	-2.0	-122.27	343.90	9.98	-112.29
COC1=CC=C2OC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300004952804	0	40	-2.0	-127.43	331.14	6.99	-120.44
CC1=CN=C(COCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004952805	0	39	-2.0	-129.24	329.53	4.17	-125.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC3=NNN=C32)CC1	REAL300004952806	0	34	-2.0	-122.40	285.46	3.73	-118.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3CCCOC3=C2)CC1	REAL300004952807	0	38	-2.0	-127.87	308.87	4.66	-123.21
CC1(C)COC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C21	REAL300004952808	0	44	-2.0	-121.65	347.82	8.07	-113.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNC=C2C2=CC=C(F)C=C2)CC1	REAL300004952809	0	41	-2.0	-130.35	347.34	8.89	-121.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC23CCOC2=CC=CC=C23)CC1	REAL300004952810	0	45	-2.0	-121.36	351.46	9.17	-112.19
CC1=CC(Br)=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952811	0	36	-2.0	-120.14	315.61	8.46	-111.68
COC(CC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952812	0	43	-2.0	-120.51	339.36	8.48	-112.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2F)N2CCOCC2)CC1	REAL300004952813	0	49	-2.0	-122.77	381.03	7.21	-115.56
CCC(CC)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1CCOCC1	REAL300004952814	0	54	-2.0	-121.86	375.96	7.42	-114.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NNC(C4CC4)=N3)C=C2)CC1	REAL300004952815	0	46	-2.0	-125.82	380.78	9.46	-116.36
CN(C)C1=CC=C(C2=CN=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)C=C1	REAL300004952816	0	50	-2.0	-124.81	394.54	9.27	-115.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=NC(C(F)(F)F)=CN3C=C2)CC1	REAL300004952817	0	39	-2.0	-125.01	344.24	8.83	-116.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN3C=C(C(F)(F)F)N=C3C=C2)CC1	REAL300004952818	0	39	-2.0	-118.02	344.56	8.83	-109.19
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3N=CC(Br)=CN3N=C2)CC1	REAL300004952819	0	35	-2.0	-126.91	318.10	6.76	-120.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=C4OCCC4=C3)=NO2)CC1	REAL300004952821	0	44	-2.0	-122.48	364.74	8.24	-114.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3N=CSC3=CC=C2)CC1	REAL300004952823	0	35	-2.0	-130.57	302.97	6.63	-123.94
COCCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=N1	REAL300004952824	0	43	-2.0	-121.26	352.46	5.48	-115.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(OCC3=CC=CC=C3)C=N2)CC1	REAL300004952825	0	45	-2.0	-125.07	376.05	6.88	-118.19
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3CSCC(C2)C3=O)CC1	REAL300004952826	0	43	-2.0	-123.23	331.26	7.59	-115.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC=N3)CC2)CC1	REAL300004952827	0	39	-2.0	-121.92	319.20	7.64	-114.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)C2CC2)CC1	REAL300004952828	0	36	-2.0	-132.58	309.77	4.04	-128.54
CC1=CC=C(C(C)C(O)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952829	0	46	-2.0	-119.07	356.48	7.81	-111.26
CC(C1=CC=CC=C1)C(C)(O)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952830	0	46	-2.0	-120.64	347.32	7.18	-113.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(CC3=CC=CC=C3)C=C2)CC1	REAL300004952831	0	43	-2.0	-136.03	356.81	9.45	-126.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3CCCCC3)C=C2)CC1	REAL300004952832	0	46	-2.0	-130.36	357.40	8.83	-121.53
CNC1=CN=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952833	0	36	-2.0	-128.21	297.03	4.05	-124.16
CN(C)C1=CN=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952834	0	39	-2.0	-128.60	317.12	6.02	-122.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(OC3=CC=CC=C3)C=N2)CC1	REAL300004952835	0	42	-2.0	-124.74	354.25	6.52	-118.22
CC(C)OC1=CN=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952836	0	41	-2.0	-124.06	336.28	4.74	-119.32
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(F)(F)F)N=C3CCCCN32)CC1	REAL300004952839	0	43	-2.0	-123.60	359.69	8.31	-115.29
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=NN1CC1=CC=CC=C1	REAL300004952840	0	48	-2.0	-132.22	386.73	9.09	-123.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNN=C2C2CCOCC2)CC1	REAL300004952841	0	44	-2.0	-121.42	347.73	5.06	-116.36
CCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CCOCC2)=N1	REAL300004952842	0	50	-2.0	-122.48	392.13	7.24	-115.24
CC(C)(C)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC=N1	REAL300004952843	0	42	-2.0	-121.80	325.33	7.41	-114.39
CCC1=NC=CN1C(C)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952844	0	45	-2.0	-120.04	355.97	8.72	-111.32
CON1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004952845	0	42	-2.0	-120.09	329.08	5.44	-114.65
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CN1CCCC1C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1	REAL300004952850	0	45	-2.0	-126.70	356.56	4.74	-121.96
CN1CCCC1C1=NNC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952850	1	45	-2.0	-118.98	355.12	4.58	-114.40
C#CCN1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952851	0	40	-2.0	-123.88	320.04	5.74	-118.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(N3C=CN=C3)C=C2)CC1	REAL300004952852	0	43	-2.0	-123.25	353.10	10.56	-112.69
CC1=CC=NC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952853	0	38	-2.0	-122.90	309.93	6.98	-115.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNC=C3N=C(C(F)(F)F)N=C32)CC1	REAL300004952854	0	38	-2.0	-147.14	339.78	5.59	-141.55
CN1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C21	REAL300004952855	0	45	-2.0	-123.57	345.95	7.77	-115.80
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952856	0	43	-2.0	-123.47	334.45	5.62	-117.85
CCC1=CNC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004952857	0	39	-2.0	-129.22	319.56	6.30	-122.92
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CC1CN(C)CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004952859	0	42	-2.0	-121.96	318.78	4.51	-117.45
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(=O)NC1=O	REAL300004952860	0	36	-2.0	-132.55	301.48	3.37	-129.18
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(S(N)(=O)=O)=C(C)O1	REAL300004952861	0	41	-2.0	-128.30	350.05	2.08	-126.22
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CN(C)C1=NC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952863	0	40	-2.0	-122.98	324.40	6.08	-116.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=NN3C=CC=NC3=N2)CC1	REAL300004952864	0	37	-2.0	-138.14	314.85	8.13	-130.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCN2CC2=CC=CC=N2)CC1	REAL300004952866	0	47	-2.0	-130.92	368.61	6.38	-124.54
CC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=NC2=NN1	REAL300004952867	0	38	-2.0	-124.29	316.11	5.73	-118.56
CC1=NN(C)C(C)=C1C1=NNC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952868	0	46	-2.0	-119.48	375.70	6.39	-113.09
CC1=NN(C)C(C)=C1C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1	REAL300004952868	1	46	-2.0	-129.40	377.80	6.64	-122.76
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1CCOCC1	REAL300004952869	0	42	-2.0	-120.82	315.11	3.33	-117.49
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC3=C2CCCCC3)CC1	REAL300004952870	0	43	-2.0	-128.82	326.51	6.99	-121.83
CC(CN1CCOCC1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952871	1	45	-2.0	-120.83	342.73	4.54	-116.29
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CC(C)N1C=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952873	0	40	-2.0	-126.00	315.29	8.06	-117.94
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CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1O	REAL300004952875	0	37	-2.0	-123.04	302.71	5.07	-117.97
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CC1=NC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C=C1	REAL300004952877	0	41	-2.0	-122.77	335.74	8.17	-114.60
COC1=CC(Cl)=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952878	0	37	-2.0	-120.97	319.68	7.03	-113.94
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CC1=NC(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)=CS1	REAL300004952880	0	42	-2.0	-125.73	357.21	8.59	-117.14
COC1=CC=CC(C2=NNC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)=C1	REAL300004952881	0	44	-2.0	-121.38	360.84	6.91	-114.47
COC1=CC=CC(C2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NN2)=C1	REAL300004952881	1	44	-2.0	-128.46	360.74	7.07	-121.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(N3CCCC3)=C2)CC1	REAL300004952883	0	45	-2.0	-122.38	350.73	7.69	-114.69
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CCCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004952886	0	38	-2.0	-124.72	313.75	7.47	-117.25
CC1=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=N1	REAL300004952887	0	38	-2.0	-119.92	322.51	6.72	-113.20
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952888	0	46	-2.0	-118.48	364.94	10.33	-108.15
CC1=CC=C2SC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC2=C1	REAL300004952889	0	39	-2.0	-123.28	331.06	9.22	-114.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C(F)C=C2F)CC1	REAL300004952890	0	39	-2.0	-120.41	330.40	9.08	-111.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Br)=C2)CC1	REAL300004952891	0	33	-2.0	-117.68	310.16	8.29	-109.39
CC1=CC=CC(C)=C1NCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952892	0	44	-2.0	-120.87	344.14	7.69	-113.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3CCC3)C=C2)CC1	REAL300004952893	0	44	-2.0	-123.19	348.13	8.74	-114.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=CNN=C3C2)CC1	REAL300004952894	0	40	-2.0	-126.10	317.15	6.16	-119.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(NC3CC3)S2)CC1	REAL300004952895	0	38	-2.0	-120.56	326.55	6.10	-114.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC(F)=C2)N2CCOCC2)CC1	REAL300004952896	0	49	-2.0	-120.41	376.63	6.04	-114.37
CCN1CCOC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004952897	0	42	-2.0	-121.31	320.84	4.42	-116.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCOC2=CC=CN=C2)CC1	REAL300004952898	0	42	-2.0	-125.42	343.88	6.83	-118.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=CC=C3)=NS2)CC1	REAL300004952899	0	39	-2.0	-119.46	335.29	8.46	-111.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCSC3=CC=CC=C32)CC1	REAL300004952900	0	41	-2.0	-122.10	332.78	9.32	-112.78
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)=C1	REAL300004952901	0	43	-3.0	-208.83	363.07	7.63	-201.20
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004952902	0	46	-3.0	-210.78	384.46	8.15	-202.63
C[C@H](CC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952903	0	42	-2.0	-120.86	334.02	9.33	-111.53
C=CCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004952904	0	43	-2.0	-122.47	345.77	9.80	-112.67
CC(O)(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004952905	0	43	-2.0	-120.72	337.81	7.17	-113.55
CC(C)(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004952906	0	42	-2.0	-121.14	342.26	8.72	-112.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=NSC3=CC=CC=C32)CC1	REAL300004952907	0	38	-2.0	-126.20	328.40	8.21	-117.99
CCC(O)(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004952908	0	46	-2.0	-119.16	353.41	7.84	-111.32
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CC4CC(CC(F)(C4)C2)C3)CC1	REAL300004952909	0	47	-2.0	-122.44	335.42	8.93	-113.51
CCCC(=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CCC	REAL300004952910	0	45	-2.0	-121.67	347.83	9.51	-112.16
CC(C)(C)C1CCC(=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004952911	0	52	-2.0	-123.11	375.98	10.34	-112.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNN=C2C2=CC=CC=C2)CC1	REAL300004952912	0	39	-2.0	-124.23	321.18	6.34	-117.89
CC1=NSC(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952913	0	35	-2.0	-117.59	303.98	6.34	-111.25
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C2OCOC2=C1	REAL300004952914	0	42	-2.0	-121.83	336.37	7.22	-114.61
CC1CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCC1=O	REAL300004952915	0	41	-2.0	-121.48	321.67	7.40	-114.08
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=C1CCC2	REAL300004952916	0	43	-2.0	-125.57	338.25	9.68	-115.89
CC1CC(C)CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004952917	0	45	-2.0	-121.14	340.62	8.87	-112.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC(F)=CC(F)=C2)CC1	REAL300004952918	0	37	-2.0	-118.59	318.88	8.22	-110.37
CN(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300004952919	0	40	-2.0	-131.89	319.86	6.69	-125.20
CC1(C)CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004952920	0	45	-2.0	-119.50	329.15	8.34	-111.16
COC1=CC(CO)=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952921	0	41	-2.0	-129.60	336.33	4.13	-125.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCCC[C@H]2O)CC1	REAL300004952922	0	43	-2.0	-123.64	327.36	5.23	-118.41
CC(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1O	REAL300004952923	0	39	-2.0	-123.87	324.42	6.26	-117.61
CCSCC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952924	0	43	-2.0	-127.53	357.35	9.95	-117.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=CC3=C2OCO3)CC1	REAL300004952925	0	42	-2.0	-123.79	344.61	7.64	-116.15
CC1(C)CCCC(O)(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004952926	0	46	-2.0	-118.33	329.52	6.02	-112.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(CCN3C=CC=N3)C=C2)CC1	REAL300004952927	0	43	-2.0	-135.84	359.23	7.42	-128.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NN2CC(F)F)CC1	REAL300004952928	0	36	-2.0	-117.72	305.07	6.08	-111.64
CC1=CC=CC(=O)N1CC(C)(O)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952929	0	46	-2.0	-129.24	350.43	6.12	-123.12
CC1=CC(=O)N(CC(C)(O)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004952930	0	46	-2.0	-128.50	361.21	5.35	-123.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(NC3=CC=CC=C3)SC=N2)CC1	REAL300004952931	0	41	-2.0	-133.13	344.81	7.92	-125.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3C=CN=N3)C=C2)CC1	REAL300004952932	0	42	-2.0	-132.60	349.79	7.62	-124.98
NS(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=N1	REAL300004952933	0	37	-2.0	-123.05	322.97	0.25	-122.80
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=C3CCCCC3=NN2)CC1	REAL300004952934	0	43	-2.0	-123.81	340.27	6.92	-116.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=NNC=C32)CC1	REAL300004952935	0	40	-2.0	-122.26	316.12	6.11	-116.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=C2C=NN3)CC1	REAL300004952935	1	40	-2.0	-126.71	316.23	6.08	-120.63
CN1C=CN=C1CN1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004952936	0	51	-2.0	-126.58	387.27	6.99	-119.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(NCCN3C=CN=C3)C=C2)CC1	REAL300004952938	0	48	-2.0	-131.14	391.13	9.39	-121.75
CC1=CN=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952939	0	38	-2.0	-122.11	309.69	6.93	-115.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC(O)COCC2=CC=CC=C2)CC1	REAL300004952940	0	47	-2.0	-126.60	383.92	6.85	-119.75
CS(=O)(=O)CCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004952941	0	48	-2.0	-136.45	395.00	6.81	-129.64
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CN1C=NC2=CN=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C21	REAL300004952943	0	38	-2.0	-124.05	311.91	6.55	-117.50
CSC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)O1	REAL300004952945	0	37	-2.0	-121.59	316.43	7.23	-114.36
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CN=CN2)CC1	REAL300004952947	1	37	-2.0	-124.84	307.29	7.13	-117.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(NN3C=CN=C3)C=C2)CC1	REAL300004952948	0	42	-2.0	-124.96	343.44	8.30	-116.66
NC1=NN=NN1C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004952949	0	40	-2.0	-128.33	332.90	7.06	-121.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3SC=CC3=CC=N2)CC1	REAL300004952950	0	35	-2.0	-130.51	304.78	7.50	-123.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3COCCN23)CC1	REAL300004952951	0	38	-2.0	-122.77	305.22	4.83	-117.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=C3CCCCN3N=C2)CC1	REAL300004952952	0	43	-2.0	-125.59	341.38	7.62	-117.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=NC3=CC=CC=C3C=C2)CC1	REAL300004952953	0	42	-2.0	-129.28	350.25	9.33	-119.95
COC1=CC=C([C@]2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C[C@H](O)C2)C=C1	REAL300004952954	0	48	-2.0	-123.07	373.19	5.24	-117.83
CC1=CN(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952955	0	42	-2.0	-130.20	319.06	7.70	-122.50
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CC(C)N1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CCOCC2)=N1	REAL300004952958	0	53	-2.0	-122.19	410.78	7.75	-114.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CCO)N=C2C2CCOCC2)CC1	REAL300004952959	0	51	-2.0	-122.52	403.55	3.87	-118.65
CN1CC(O)CC1(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952960	1	42	-2.0	-119.37	310.25	1.03	-118.34
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN([C@@H]3CC[C@H]3O)N=N2)CC1	REAL300004952963	0	40	-2.0	-131.49	328.03	2.67	-128.82
COC1=CC(COCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=N1	REAL300004952964	0	43	-2.0	-126.24	359.21	5.35	-120.89
COC1=CC=C(COCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952965	0	43	-2.0	-124.44	358.67	5.28	-119.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COCC2=CC(=O)NC=C2)CC1	REAL300004952966	0	40	-2.0	-140.31	334.67	5.64	-134.67
CC1CCC2=NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN2C1	REAL300004952967	0	43	-2.0	-133.53	338.14	8.82	-124.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2C2=CC=NC=C2)CC1	REAL300004952968	0	42	-2.0	-127.91	345.49	8.92	-118.99
CC(C)(CN1CCOCC1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952969	1	48	-2.0	-126.37	348.47	5.31	-121.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@]2(C3=CC=CC=C3)C[C@@H](O)C2)CC1	REAL300004952970	0	44	-2.0	-128.19	336.93	6.44	-121.75
COC1=CN=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004952971	0	39	-2.0	-121.71	315.28	5.30	-116.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC3=CN=CC=C32)CC1	REAL300004952972	0	41	-2.0	-126.42	335.45	8.59	-117.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN3CCOCC3=N2)CC1	REAL300004952973	0	38	-2.0	-133.30	308.27	5.87	-127.43
CC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)OC2=C(F)C=C1	REAL300004952975	0	39	-2.0	-128.80	328.79	8.64	-120.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)O2)CC1	REAL300004952976	0	37	-2.0	-122.75	309.81	6.76	-115.99
CC1=C(C)N2N=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2C=C1	REAL300004952977	0	42	-2.0	-129.63	339.47	8.10	-121.53
CN1CCN(CC2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)CC1	REAL300004952978	1	53	-2.0	-124.16	406.87	6.14	-118.02
CN1CCN(CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)CC1	REAL300004952979	1	53	-2.0	-123.86	406.16	6.14	-117.72
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952981	0	47	-2.0	-124.33	375.39	8.83	-115.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCSCC2=CC=CC=N2)CC1	REAL300004952982	0	42	-2.0	-124.01	358.72	8.55	-115.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(N3C=CN=C3)=C2)CC1	REAL300004952983	0	39	-2.0	-119.99	325.91	8.90	-111.09
CNS(=O)(=O)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952984	0	34	-2.0	-127.58	293.56	0.67	-126.91
CC(C)(C)NS(=O)(=O)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004952985	0	43	-2.0	-127.95	342.08	3.03	-124.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3NC=CC=C23)CC1	REAL300004952986	0	36	-2.0	-139.39	304.36	6.78	-132.61
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(NC3CC3)N=C2)CC1	REAL300004952987	0	41	-2.0	-123.49	331.86	6.58	-116.91
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=NN1CC1=CC=C(F)C=C1	REAL300004952989	0	45	-2.0	-132.45	374.91	8.53	-123.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C3=CN=CO3)=C2)CC1	REAL300004952990	0	39	-2.0	-126.75	327.41	5.59	-121.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(O)=CC(Br)=C2)CC1	REAL300004952991	0	34	-2.0	-119.78	305.18	4.95	-114.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC(Br)=CC=C2F)CC1	REAL300004952992	0	36	-2.0	-122.53	324.36	8.87	-113.66
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(N3C=CN=C3)=C2)CC1	REAL300004952993	0	40	-2.0	-124.62	328.77	9.57	-115.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC=C2C(F)(F)F)CC1	REAL300004952994	0	35	-2.0	-119.17	296.03	6.24	-112.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=CNC=N3)C=C2)CC1	REAL300004952995	0	40	-2.0	-128.37	330.30	8.38	-119.99
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1C=NC2=CC=CC=C21	REAL300004952996	0	42	-2.0	-122.88	340.25	9.22	-113.66
COC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004952997	0	35	-2.0	-118.27	294.60	1.81	-116.46
CC1=CC(=O)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CN1	REAL300004952998	0	36	-2.0	-147.17	295.64	5.58	-141.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NNC=N3)C=C2)CC1	REAL300004952999	0	39	-2.0	-127.36	326.88	8.03	-119.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=CN3)C=C2)CC1	REAL300004952999	1	39	-2.0	-129.28	327.01	8.43	-120.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNN=C2C2=CC=CC=C2F)CC1	REAL300004953000	0	40	-2.0	-123.71	334.42	7.32	-116.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3=CC=CC=C3F)NN=C2)CC1	REAL300004953000	1	40	-2.0	-128.09	341.47	7.20	-120.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC(C(F)(F)F)=C2)CC1	REAL300004953001	0	35	-2.0	-117.78	306.54	6.39	-111.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(C(F)(F)F)=C2)CC1	REAL300004953002	0	35	-2.0	-116.73	306.65	6.43	-110.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(C=CS3)N2)CC1	REAL300004953003	1	34	-2.0	-120.42	293.81	6.73	-113.69
CN1N=C2C=CC=CC2=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953004	0	39	-2.0	-121.44	325.58	7.27	-114.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CN3C=CN=C3)=C2)CC1	REAL300004953005	0	43	-2.0	-130.95	356.75	10.48	-120.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(=O)NC3=CC=C(F)C=C32)CC1	REAL300004953006	0	39	-2.0	-125.26	333.90	6.36	-118.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(N3CCCCC3)=N2)CC1	REAL300004953007	0	44	-2.0	-131.40	354.70	7.48	-123.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3SC=CC3=CC=C2)CC1	REAL300004953008	0	36	-2.0	-126.21	304.79	8.43	-117.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC(F)=CC=C3N=C2)CC1	REAL300004953009	0	38	-2.0	-120.15	321.11	7.58	-112.57
CC1=CC=C(O)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953010	0	37	-2.0	-125.37	302.86	4.95	-120.42
CC1=NC2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2N1	REAL300004953011	0	39	-2.0	-123.38	321.65	6.70	-116.68
CC1=NC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C2N1	REAL300004953011	1	39	-2.0	-136.04	320.50	6.67	-129.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC3=CC=NN3C=C2)CC1	REAL300004953012	0	35	-2.0	-127.70	294.73	6.96	-120.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CN=CC=N2)CC1	REAL300004953013	0	37	-2.0	-121.74	307.52	5.35	-116.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCN2C=NC=N2)CC1	REAL300004953014	0	38	-2.0	-129.22	316.28	8.44	-120.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=NC=C3C=C2)CC1	REAL300004953015	0	38	-2.0	-122.51	313.13	7.66	-114.85
CN1CCC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300004953016	0	42	-2.0	-122.91	330.03	6.91	-116.00
CCC(C)OC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953017	0	46	-2.0	-121.36	361.55	8.80	-112.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2CCOCC2)CC1	REAL300004953018	0	41	-2.0	-119.02	308.06	3.38	-115.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3CCCCC32)CC1	REAL300004953019	0	49	-2.0	-122.20	357.04	9.88	-112.32
C=CCSC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953020	0	41	-2.0	-128.11	345.89	9.61	-118.50
CS(=O)C1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953021	0	41	-2.0	-131.76	349.36	6.77	-124.99
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC2=CC=CC=C21	REAL300004953022	0	42	-2.0	-127.73	340.63	9.28	-118.45
C#CCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCCC1	REAL300004953023	0	44	-2.0	-126.11	326.62	8.69	-117.42
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCC(O)CC1	REAL300004953024	0	49	-2.0	-123.18	344.62	5.55	-117.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC(C3CCCCC3)=N2)CC1	REAL300004953025	0	45	-2.0	-126.65	354.95	7.04	-119.61
CC(C)(C)C1CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004953026	0	45	-2.0	-121.38	337.71	8.73	-112.65
CC(O)(CCC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953027	0	46	-2.0	-122.50	359.98	7.13	-115.37
COC1CCCCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953028	0	43	-2.0	-122.96	326.72	7.93	-115.03
CC(C)(C)C1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004953029	0	43	-2.0	-118.10	344.44	7.09	-111.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2N2C=CN=N2)CC1	REAL300004953030	0	39	-2.0	-141.56	321.27	7.13	-134.43
CCOC1=CN=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004953031	0	38	-2.0	-123.81	316.15	3.82	-119.99
CCN1N=C(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953032	0	38	-2.0	-123.68	310.98	5.38	-118.30
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953033	0	36	-2.0	-120.32	312.79	4.08	-116.24
CC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953034	0	39	-2.0	-120.93	331.15	8.91	-112.02
CC(C)(C)SCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953035	0	45	-2.0	-121.04	359.70	9.18	-111.86
COC1CCC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004953036	0	46	-2.0	-121.14	347.36	7.61	-113.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C[C@H]2CCCC[C@@H]2O)CC1	REAL300004953037	0	43	-2.0	-123.45	327.36	5.23	-118.22
CS(=O)C1=CC=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953038	0	41	-2.0	-139.33	339.15	7.47	-131.86
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300004953039	0	33	-3.0	-173.48	302.50	5.73	-167.75
CC1=NC(N)=NC(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953040	0	39	-2.0	-118.26	321.45	5.72	-112.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(O)CCSCC2)CC1	REAL300004953041	0	38	-2.0	-115.03	294.89	4.40	-110.63
CC(C)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(=O)N1	REAL300004953042	0	42	-2.0	-124.95	342.53	6.27	-118.68
CC1=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300004953043	0	42	-2.0	-125.65	346.58	9.39	-116.26
CC(C)OC1=NC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953044	0	42	-2.0	-126.96	343.14	6.08	-120.88
CC1=C(CO)C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004953045	0	37	-2.0	-127.28	308.09	3.65	-123.63
CC1=CC=CC2=C1OC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C2	REAL300004953046	0	41	-2.0	-123.14	329.75	8.92	-114.22
NS(=O)(=O)CCCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953047	0	43	-2.0	-131.25	358.36	2.54	-128.71
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCC2=CC=CC=C2C1	REAL300004953048	0	46	-2.0	-122.92	341.76	9.67	-113.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(CCC3)N2)CC1	REAL300004953049	0	38	-2.0	-122.34	302.67	7.38	-114.96
CC(C)OC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=N1	REAL300004953050	0	42	-2.0	-120.09	341.90	5.78	-114.31
CC(C)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=CS1	REAL300004953051	0	38	-2.0	-127.00	323.85	6.32	-120.68
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=C2CCSCC2)CC1	REAL300004953052	0	38	-2.0	-120.22	307.27	7.98	-112.24
CC(C)N1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004953053	0	39	-2.0	-122.83	314.73	6.24	-116.59
COC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCOCC1	REAL300004953054	0	41	-2.0	-119.23	304.04	4.26	-114.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=NNC=C3C2)CC1	REAL300004953055	0	40	-2.0	-122.43	315.88	6.10	-116.33
COC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC(=O)NC1=O	REAL300004953056	0	37	-2.0	-117.81	318.11	1.53	-116.28
COC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC(=O)[N-]C1=O	REAL300004953056	1	36	-3.0	-175.43	314.13	-0.35	-175.78
CCCC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CO1	REAL300004953057	0	38	-2.0	-125.88	313.49	5.26	-120.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3CC3)S2)CC1	REAL300004953058	0	37	-2.0	-122.58	313.92	8.48	-114.10
CCCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1Cl	REAL300004953059	0	42	-2.0	-119.16	349.85	9.77	-109.39
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(Cl)=C1C	REAL300004953060	0	39	-2.0	-124.48	325.71	8.87	-115.61
CC(C)(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCCC1	REAL300004953061	0	51	-2.0	-118.90	359.74	9.81	-109.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C3CCC3)=C2)CC1	REAL300004953062	0	43	-2.0	-122.91	338.56	9.76	-113.15
CC1CCC(C)(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1(C)C	REAL300004953063	0	52	-2.0	-121.43	376.21	10.09	-111.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3NC=CC=C3N=C2)CC1	REAL300004953064	0	36	-2.0	-133.71	304.02	5.60	-128.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CSC=C2)CC1	REAL300004953065	0	34	-2.0	-122.02	297.37	7.10	-114.92
CCCC1=NC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004953066	0	41	-2.0	-120.70	332.03	5.17	-115.53
CC(OC1=CC=CC=N1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953067	0	39	-2.0	-124.34	320.20	6.21	-118.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C3COCC3=C2)CC1	REAL300004953068	0	41	-2.0	-122.66	333.61	7.52	-115.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(NC3=CC=CC=C3)CC2)CC1	REAL300004953069	0	42	-2.0	-122.96	336.99	8.02	-114.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CO)C(F)=C2)CC1	REAL300004953070	0	37	-2.0	-121.74	309.96	4.77	-116.97
CCCCS(=O)(=O)NCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953071	0	43	-2.0	-124.86	358.09	3.10	-121.76
COC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C	REAL300004953072	0	37	-2.0	-123.64	310.13	3.81	-119.83
CN1N=NC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C21	REAL300004953073	0	38	-2.0	-121.35	315.99	5.77	-115.58
CC1=C(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=C1	REAL300004953074	0	42	-2.0	-122.65	349.31	9.46	-113.19
CNC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300004953076	0	38	-2.0	-121.86	313.15	6.08	-115.78
CC(OCC1=CC=C(F)C=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953077	0	43	-2.0	-121.58	354.05	9.11	-112.47
CC(C)C1=CC=C2OC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300004953078	0	45	-2.0	-124.73	361.82	9.62	-115.11
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC(CC2CC2)=N1	REAL300004953079	0	42	-2.0	-119.85	341.45	5.79	-114.06
CCOCC1=NC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953080	0	42	-2.0	-120.12	349.88	5.50	-114.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)CC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300004953081	0	43	-2.0	-122.65	363.30	7.66	-114.99
COC1=C(S(N)(=O)=O)SC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953082	0	39	-2.0	-121.24	346.62	0.98	-120.26
C=C(C)C(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)OCC	REAL300004953083	0	43	-2.0	-121.11	345.39	7.97	-113.14
CC1=NC2=CC=CC=C2C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953084	0	41	-2.0	-122.15	333.39	8.18	-113.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CC=C(F)C=C3)CCOCC2)CC1	REAL300004953085	0	50	-2.0	-129.12	368.92	8.48	-120.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CC=CC(F)=C3)CCOCC2)CC1	REAL300004953086	0	50	-2.0	-133.45	373.98	8.65	-124.80
CC(C)(C)OC1=CC=CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953087	0	51	-2.0	-120.79	396.60	9.17	-111.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCN2C2=CC=CC=C2)CC1	REAL300004953088	0	45	-2.0	-126.46	344.11	7.61	-118.85
CC1=NSC(NC2CC2)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953089	0	41	-2.0	-120.66	350.12	6.23	-114.43
CCN1N=CC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C(C)N=C21	REAL300004953090	0	44	-2.0	-120.66	357.31	7.84	-112.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNN=C2C2=CC=CC=N2)CC1	REAL300004953091	0	39	-2.0	-129.78	327.51	6.00	-123.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3=CC=CC=N3)NN=C2)CC1	REAL300004953091	1	39	-2.0	-129.29	320.43	6.06	-123.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3=CC=CC=C3)N=CO2)CC1	REAL300004953092	0	39	-2.0	-123.16	331.72	5.68	-117.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC(O)(C3=CC=CC(Cl)=C3)C2)CC1	REAL300004953093	0	44	-2.0	-121.51	364.88	7.29	-114.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=CC(C(F)F)=N2)CC1	REAL300004953094	0	36	-2.0	-129.61	312.46	6.45	-123.16
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1N=NN=C1C(C)(C)C	REAL300004953095	0	46	-2.0	-122.55	357.57	6.27	-116.28
CN1C=CC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953096	0	38	-2.0	-128.99	315.19	8.45	-120.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC3=CC=CC=C3S2)CC1	REAL300004953097	0	35	-2.0	-128.43	305.62	7.58	-120.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=NC(C3=CC=C(F)C=C3)=CS2)CC1	REAL300004953098	0	42	-2.0	-125.85	367.14	9.02	-116.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=NC3=CC=CC=C32)CC1	REAL300004953099	0	39	-2.0	-125.66	325.35	9.24	-116.42
CCC1=NC2=CC=CC=C2N1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953100	0	45	-2.0	-124.82	367.09	9.63	-115.19
CC(C)C(NS(C)(=O)=O)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953101	0	43	-2.0	-134.11	347.06	2.49	-131.62
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1CCC2=CC=CC=C21	REAL300004953102	0	45	-2.0	-120.82	340.84	7.49	-113.33
CN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1N1C=NN=C1	REAL300004953103	0	39	-2.0	-125.84	329.65	8.70	-117.14
CC1=CC=C(N2C=NN=C2)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953104	0	42	-2.0	-129.04	346.95	10.81	-118.23
CN(C)C1=NOC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953105	0	42	-2.0	-121.97	346.66	6.81	-115.16
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=N1	REAL300004953106	0	41	-2.0	-129.77	314.38	7.51	-122.26
CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953107	0	40	-2.0	-122.78	328.49	7.19	-115.59
CC(C)(C)C1=CC=C(CSCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953108	0	52	-2.0	-121.34	417.78	11.92	-109.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=CC=C3)=CC=N2)CC1	REAL300004953109	0	42	-2.0	-131.10	341.93	9.71	-121.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CN3C=N2)CC1	REAL300004953110	0	36	-2.0	-132.15	299.27	9.52	-122.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC=CC=C2)CC1	REAL300004953111	0	37	-2.0	-120.34	299.57	5.91	-114.43
CCN(CC)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953112	0	47	-2.0	-124.73	367.85	9.49	-115.24
CN(C)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953113	0	41	-2.0	-124.40	324.33	7.58	-116.82
CNC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953114	0	38	-2.0	-122.59	305.07	6.13	-116.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=CC=C2O)CC1	REAL300004953115	0	38	-2.0	-125.27	317.32	5.82	-119.45
CCC1=NC2=CC=CC=C2C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004953116	0	47	-2.0	-123.99	375.24	9.41	-114.58
CC1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953117	0	44	-2.0	-124.64	373.12	4.56	-120.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3N=CSC3=C2)CC1	REAL300004953118	0	35	-2.0	-120.94	302.29	6.48	-114.46
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953119	0	48	-2.0	-128.92	386.97	8.99	-119.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CN=C2NC2=CC=CC=C2F)CC1	REAL300004953120	0	44	-2.0	-129.40	364.07	9.71	-119.69
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1	REAL300004953121	0	47	-2.0	-130.61	383.34	5.21	-125.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCN2C=CC=N2)CC1	REAL300004953122	0	39	-2.0	-127.84	321.53	6.99	-120.85
CC1=C(C)SC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953123	0	35	-2.0	-127.73	300.12	6.54	-121.19
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CO)=C2)CC1	REAL300004953124	0	37	-2.0	-124.99	305.65	4.50	-120.49
CC1=NN=C2CCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CN12	REAL300004953125	0	42	-2.0	-121.51	331.61	7.97	-113.54
CCN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004953126	0	44	-2.0	-123.25	350.25	9.34	-113.91
CN(C)C1=NC2=C(C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)S2)S1	REAL300004953127	0	40	-2.0	-125.26	350.73	7.58	-117.68
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC3=NC=CN=C23)CC1	REAL300004953131	0	37	-2.0	-126.45	316.62	5.91	-120.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(N3CCCCC3)=N2)CC1	REAL300004953132	0	46	-2.0	-128.58	360.11	8.94	-119.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(CCCC3)N2)CC1	REAL300004953133	0	41	-2.0	-121.76	320.56	7.93	-113.83
COC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=NN1C	REAL300004953134	0	40	-2.0	-124.02	335.12	4.60	-119.42
CC1=CC=C(N2CCCC2)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953135	0	48	-2.0	-128.64	366.01	8.35	-120.29
CC1=CC=C(N2C=CN=C2)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953136	0	43	-2.0	-128.79	352.26	10.16	-118.63
CC1=CC=C(NC2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)N=N1	REAL300004953137	0	46	-2.0	-129.42	375.90	8.67	-120.75
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC3=CN=CN32)CC1	REAL300004953138	0	33	-2.0	-119.25	294.10	7.60	-111.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2CCOCC2)CC1	REAL300004953139	0	41	-2.0	-122.98	325.29	5.86	-117.12
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3CCC(O)CC3)C=C2)CC1	REAL300004953140	0	49	-2.0	-124.63	375.44	5.06	-119.57
NC1=C(F)C=C(Cl)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953141	0	35	-2.0	-117.39	308.97	5.88	-111.51
CC(OCCC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953142	0	46	-2.0	-121.03	369.13	9.81	-111.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CN=C2C2CC2)CC1	REAL300004953143	0	38	-2.0	-118.82	313.22	7.51	-111.31
CC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300004953144	0	41	-2.0	-119.34	335.06	7.45	-111.89
CN1C=NC=C1CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953145	0	39	-2.0	-123.46	319.58	8.15	-115.31
CC(C)CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCC1	REAL300004953146	0	48	-2.0	-123.75	339.92	8.89	-114.86
CC1(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCOCC1	REAL300004953147	0	44	-2.0	-123.18	334.16	6.86	-116.32
CS(=O)(=O)C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004953148	0	36	-2.0	-122.72	303.16	3.32	-119.40
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(C)(C)C)=N1	REAL300004953149	0	45	-2.0	-121.87	349.59	7.20	-114.67
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CN=C1	REAL300004953150	0	44	-2.0	-122.96	346.15	7.96	-115.00
CC1=CC(F)=CC(N2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=N2)=C1	REAL300004953151	0	42	-2.0	-127.19	355.23	8.22	-118.97
COC(C)(C)C1=NC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953152	0	45	-2.0	-121.94	365.25	5.93	-116.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=NC(C3=CC=CC=C3)=N2)CC1	REAL300004953153	0	42	-2.0	-131.95	353.73	9.92	-122.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(N3CCOCC3)=NC=N2)CC1	REAL300004953154	0	44	-2.0	-124.83	349.48	6.09	-118.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300004953155	0	36	-3.0	-175.18	305.09	4.35	-170.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300004953155	1	36	-3.0	-175.20	305.14	4.37	-170.83
COCC(C)C(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953156	0	42	-2.0	-120.33	322.27	5.89	-114.44
CCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCC(C)CC1	REAL300004953157	0	51	-2.0	-123.84	369.62	9.94	-113.90
COCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1=CC=CC=C1	REAL300004953158	0	47	-2.0	-126.28	383.11	8.03	-118.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(F)(F)F)C=NN2)CC1	REAL300004953159	0	33	-2.0	-118.47	294.47	4.71	-113.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC=C2C(F)(F)F)CC1	REAL300004953159	1	33	-2.0	-129.57	289.31	5.32	-124.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(=O)NC(C3CC3)=C2)CC1	REAL300004953160	0	40	-2.0	-122.20	326.43	6.33	-115.87
CC(=O)C1=CN(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004953161	0	37	-2.0	-126.86	318.25	4.68	-122.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2(C(F)(F)F)CC2)CC1	REAL300004953162	0	36	-2.0	-123.33	302.02	7.60	-115.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC3=CC=NN32)CC1	REAL300004953163	0	35	-2.0	-125.11	298.98	6.05	-119.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CC3CCC2O3)CC1	REAL300004953164	0	41	-2.0	-122.17	315.40	6.44	-115.73
CC1=CC2=C(C)C=CN=C2C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953165	0	44	-2.0	-133.74	353.50	8.95	-124.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=CN=C3)N=C2)CC1	REAL300004953166	0	39	-2.0	-124.10	326.05	6.54	-117.56
CC(O)C1=CN(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004953167	0	39	-2.0	-128.89	326.13	2.26	-126.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC(C3=CC=CC=C3)=CS2)CC1	REAL300004953168	0	39	-2.0	-124.05	336.66	7.91	-116.14
CC1=C(C(C)C)N=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953169	0	44	-2.0	-125.41	365.01	7.96	-117.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=NC=CS2)CC1	REAL300004953170	0	38	-2.0	-124.95	325.32	6.92	-118.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CSC(N3CCOCC3)=N2)CC1	REAL300004953171	0	45	-2.0	-126.30	370.50	5.03	-121.27
CCCCCCCCC(O)CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953172	0	57	-2.0	-120.83	440.69	9.00	-111.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=NC(C3=CC=CC=C3)=CS2)CC1	REAL300004953173	0	42	-2.0	-127.36	360.74	8.95	-118.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3=CC=CC=C3C2)CC1	REAL300004953174	0	40	-2.0	-121.21	316.61	9.11	-112.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(NC3=CC=CN=C3)SC=N2)CC1	REAL300004953175	0	40	-2.0	-133.51	339.16	6.12	-127.39
CN1C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN=C1C1=CC=CC=C1	REAL300004953176	0	45	-2.0	-130.65	367.27	9.57	-121.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC(O)C2=CC=CC=C2)CC1	REAL300004953177	0	46	-2.0	-124.24	369.34	7.44	-116.80
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=NC=C1	REAL300004953178	0	38	-2.0	-121.27	309.58	6.90	-114.37
CC1=C(C2=CC=CO2)N=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953179	0	42	-2.0	-128.06	364.23	7.79	-120.27
CCCOC1=CC=NC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953180	0	44	-2.0	-125.87	363.29	5.45	-120.42
CC(=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CN1CCOCC1	REAL300004953181	0	46	-2.0	-121.50	353.66	4.89	-116.61
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=NC=CS1	REAL300004953182	0	38	-2.0	-125.67	306.75	5.91	-119.76
CC1=CC=C(NC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CS2)C=C1	REAL300004953183	0	44	-2.0	-132.97	366.22	8.59	-124.38
CC1=CC=CC=C1NC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=CS1	REAL300004953184	0	44	-2.0	-133.60	364.03	8.76	-124.84
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300004953185	0	41	-2.0	-134.30	332.99	8.32	-125.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=COC3=C(F)C=C2)CC1	REAL300004953186	0	36	-2.0	-122.06	308.82	7.66	-114.40
C=CC1(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCCC1	REAL300004953187	0	46	-2.0	-121.80	334.05	9.00	-112.80
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=COC3=C(Cl)C=C2)CC1	REAL300004953188	0	36	-2.0	-122.09	319.13	8.11	-113.98
CCCCNC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953189	0	47	-2.0	-124.13	370.16	8.59	-115.54
CC1=CC=CC=C1NCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953190	0	44	-2.0	-121.92	350.47	7.94	-113.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3CCCC(C2)C3=O)CC1	REAL300004953191	0	45	-2.0	-121.69	334.92	8.10	-113.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(O)C=C2)CC1	REAL300004953192	0	38	-2.0	-124.46	317.45	5.89	-118.57
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300004953193	0	33	-3.0	-174.34	296.29	5.67	-168.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(O)C(Cl)=C2)CC1	REAL300004953193	1	34	-2.0	-120.51	299.85	4.90	-115.61
CC(C)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(O)C(C(C)C)=C1	REAL300004953194	0	52	-2.0	-124.26	402.06	8.56	-115.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CO)C=C2)CC1	REAL300004953195	0	37	-2.0	-125.03	305.70	4.52	-120.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCNS(=O)(=O)C2=CC=CS2)CC1	REAL300004953196	0	41	-2.0	-126.93	365.71	3.57	-123.36
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(Cl)=C1O	REAL300004953197	0	41	-2.0	-119.62	350.97	5.80	-113.82
CCOC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(Cl)=C1[O-]	REAL300004953197	1	40	-3.0	-179.79	347.37	6.71	-173.08
CCC1=NC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2N=C1CC	REAL300004953198	0	49	-2.0	-125.30	387.77	8.08	-117.22
CC1=CC=CC=C1COC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953199	0	50	-2.0	-134.02	400.20	11.73	-122.29
COC1=CC=C(Cl)C=C1NCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953200	0	42	-2.0	-120.26	355.14	6.34	-113.92
COCCOC1=NC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953202	0	43	-2.0	-130.22	356.63	4.52	-125.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC3CC3)N=C2)CC1	REAL300004953205	0	43	-2.0	-119.07	353.42	6.44	-112.63
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)C=C1	REAL300004953207	0	44	-3.0	-204.29	367.79	6.29	-198.00
CN(C)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004953209	0	44	-2.0	-120.01	343.98	6.90	-113.11
CCC1=NOC2=NC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C12	REAL300004953210	0	40	-2.0	-114.25	330.66	5.26	-108.99
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CN=C2)=N1	REAL300004953211	0	42	-2.0	-127.71	348.12	6.85	-120.86
CC(C)C1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CN1	REAL300004953212	0	39	-2.0	-133.07	315.38	6.65	-126.42
CC(C)C1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N1	REAL300004953212	1	39	-2.0	-116.80	313.54	6.30	-110.50
CC(C)C(CC1CCCCC1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953214	0	54	-2.0	-124.30	386.74	10.55	-113.75
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(OC3=CC=NC=C3)=C2)CC1	REAL300004953215	0	43	-2.0	-125.33	355.16	8.26	-117.07
CC(C)NC1=NC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953216	0	43	-2.0	-121.31	344.35	7.18	-114.13
CC1=NC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004953217	0	38	-2.0	-121.30	324.79	6.71	-114.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CNC(C2=CC=CC=C2)C(F)(F)F)CC1	REAL300004953218	0	44	-2.0	-121.31	367.32	7.42	-113.89
CC(C)C1=NC=CN1CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953219	0	45	-2.0	-118.78	360.78	8.59	-110.19
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2(O)CCCCC2)CC1	REAL300004953221	0	43	-2.0	-119.50	321.58	6.53	-112.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(NC3=CC=CC=C3)=C2)CC1	REAL300004953222	0	45	-2.0	-123.69	363.65	9.48	-114.21
CC1(CCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC(=O)NC1=O	REAL300004953223	0	44	-2.0	-128.29	353.12	2.58	-125.71
CC(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004953224	0	41	-2.0	-120.19	327.83	7.26	-112.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCN3C=NC=C3C2)CC1	REAL300004953226	0	40	-2.0	-123.18	317.46	8.31	-114.87
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=C(Cl)C(F)=C2)CC1	REAL300004953227	0	37	-2.0	-121.00	329.14	8.70	-112.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CC3=NN=CN3)C=C2)CC1	REAL300004953228	0	42	-2.0	-135.19	348.62	9.03	-126.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CC3=NNC=N3)C=C2)CC1	REAL300004953228	1	42	-2.0	-128.13	349.57	8.65	-119.48
NS(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CO1	REAL300004953229	0	35	-2.0	-125.66	309.90	0.22	-125.44
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CO1	REAL300004953230	0	38	-2.0	-125.23	332.27	1.43	-123.80
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CO1	REAL300004953230	1	37	-3.0	-181.06	329.26	0.98	-180.08
CC(O)C1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953231	0	36	-2.0	-119.25	311.28	2.47	-116.78
COCC1=NN(C)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953232	0	40	-2.0	-124.33	330.06	4.57	-119.76
CCC1=NN=C(C)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953233	0	40	-2.0	-117.42	324.28	6.31	-111.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=NC(C3=CC=CC=C3)=C2)CC1	REAL300004953234	0	41	-2.0	-119.67	339.16	7.82	-111.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCN(C3=CC=CC=C3F)C2)CC1	REAL300004953235	0	45	-2.0	-125.27	350.27	7.54	-117.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCN(C3=CC=CC=C3Cl)C2)CC1	REAL300004953236	0	45	-2.0	-123.67	358.35	8.07	-115.60
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC(F)(F)F)C=N2)CC1	REAL300004953237	0	39	-2.0	-127.66	338.27	6.95	-120.71
CN1C=NC2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C21	REAL300004953238	0	39	-2.0	-123.25	315.94	8.33	-114.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3OC=CC3=CC(F)=C2)CC1	REAL300004953239	0	36	-2.0	-125.71	308.93	7.69	-118.02
CC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)OC2=CC=C1	REAL300004953240	0	39	-2.0	-125.71	322.12	8.48	-117.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2NC(=O)NC2=O)CC1	REAL300004953241	0	38	-2.0	-127.15	316.97	1.48	-125.67
CN(C)C1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953242	0	45	-2.0	-125.97	357.67	9.12	-116.85
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953243	0	41	-2.0	-131.73	346.11	2.76	-128.97
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1C	REAL300004953244	0	40	-2.0	-129.35	318.60	7.86	-121.49
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CSCCS2)CC1	REAL300004953245	0	35	-2.0	-120.79	300.14	7.26	-113.53
CC1=NNC(C)=C1CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953246	0	42	-2.0	-122.76	338.49	6.52	-116.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CSC(C3=CC=CC=N3)=N2)CC1	REAL300004953247	0	41	-2.0	-136.00	356.72	7.32	-128.68
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CN2C2=CC=C(F)C=C2)CC1	REAL300004953248	0	40	-2.0	-122.10	333.15	9.66	-112.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(N3CCOCC3)=CC=N2)CC1	REAL300004953249	0	45	-2.0	-128.89	352.07	5.08	-123.81
CC1=NNC(C)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953250	0	39	-2.0	-123.92	317.99	5.75	-118.17
NS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953251	0	44	-2.0	-127.92	373.22	3.99	-123.93
COC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC2=CC=CC=C21	REAL300004953252	0	42	-2.0	-129.81	343.20	7.47	-122.34
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=NC=C2)=N1	REAL300004953253	0	42	-2.0	-125.67	350.79	6.71	-118.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(C2=CC=CC=C2)N2CCSCC2)CC1	REAL300004953254	0	49	-2.0	-120.79	386.38	8.92	-111.87
CC(C)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1CC(C)OC(C)C1	REAL300004953255	0	54	-2.0	-122.60	386.90	6.98	-115.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(NC3=CC=CC=N3)=N2)CC1	REAL300004953257	0	40	-2.0	-132.73	344.79	8.57	-124.16
CCC(CC)N1C=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953258	0	45	-2.0	-131.33	352.96	8.48	-122.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC(=O)C3=CC=CC=C32)CC1	REAL300004953259	0	42	-2.0	-122.31	336.15	8.74	-113.57
CC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(N)=N1	REAL300004953260	0	36	-2.0	-117.40	297.01	3.98	-113.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCC2=CC=C(O)C(F)=C2)CC1	REAL300004953261	0	43	-2.0	-125.90	357.78	7.03	-118.87
COC1=CN=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953262	0	35	-2.0	-120.91	292.16	3.25	-117.66
CCC1=CC=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953263	0	38	-2.0	-129.81	310.30	7.72	-122.09
COC(=CC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953264	0	41	-2.0	-121.39	336.59	8.62	-112.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=NNN=C32)CC1	REAL300004953265	0	35	-2.0	-127.03	294.44	4.54	-122.49
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=C2CCCC3)CC1	REAL300004953266	0	43	-2.0	-125.32	334.15	9.64	-115.68
CC1=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C	REAL300004953267	0	40	-2.0	-128.77	328.24	7.00	-121.77
CC1=CC=NC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C12	REAL300004953268	0	41	-2.0	-124.32	332.50	8.14	-116.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CN3N=NN=C23)CC1	REAL300004953269	0	34	-2.0	-133.68	294.66	5.57	-128.11
CC(C)N1N=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953270	0	39	-2.0	-119.94	311.97	6.53	-113.41
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CC2)=N1	REAL300004953271	0	40	-2.0	-123.24	327.63	7.15	-116.09
CC1=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C	REAL300004953272	0	42	-2.0	-122.17	339.12	7.19	-114.98
COC1=NOC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953273	0	39	-2.0	-122.19	326.96	4.60	-117.59
COC1=CC=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NN=C21	REAL300004953274	0	40	-2.0	-121.72	333.02	5.33	-116.39
CC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1O	REAL300004953275	0	40	-2.0	-123.28	328.24	6.08	-117.20
CN1C=NC=C1C=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953276	0	37	-2.0	-127.33	306.96	7.85	-119.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CN=CS2)CC1	REAL300004953277	0	33	-2.0	-123.18	291.74	5.99	-117.19
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNC3=NC=NC3=C2)CC1	REAL300004953278	0	35	-2.0	-126.43	291.61	5.96	-120.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC3=NC=CN=C3C=C2)CC1	REAL300004953279	0	36	-2.0	-135.84	303.46	5.57	-130.27
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(CC2CC2)=N1	REAL300004953280	0	42	-2.0	-120.44	352.08	8.02	-112.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCN(CC(F)F)CC2)CC1	REAL300004953281	0	47	-2.0	-122.53	362.27	7.11	-115.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=CC=N3)=NO2)CC1	REAL300004953282	0	38	-2.0	-122.85	325.30	6.66	-116.19
CCNC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953283	0	37	-2.0	-121.96	316.48	5.19	-116.77
COC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2N=C1	REAL300004953284	0	42	-2.0	-128.19	346.31	6.96	-121.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCCCC3)CCCCC2)CC1	REAL300004953285	0	55	-2.0	-127.38	373.48	10.30	-117.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CNC3=CC=CC(Cl)=C23)CC1	REAL300004953286	0	40	-2.0	-129.66	342.21	8.65	-121.01
CC1=CC(C)=NC(=O)N1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953287	0	41	-2.0	-136.09	335.59	5.67	-130.42
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300004953288	0	42	-2.0	-118.72	348.24	9.49	-109.23
COC1=CC=CC=C1NC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953289	0	49	-2.0	-128.44	393.24	9.03	-119.41
CCCCOC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(Cl)=C1	REAL300004953290	0	46	-2.0	-120.39	381.99	9.45	-110.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(Br)C(O)=C2)CC1	REAL300004953291	0	37	-2.0	-121.72	328.57	5.99	-115.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CSC(C3=CC=CC=C3O)=N2)CC1	REAL300004953292	0	42	-2.0	-124.88	356.11	5.02	-119.86
CCCC1CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCO1	REAL300004953293	0	46	-2.0	-121.10	344.15	7.38	-113.72
CN1CCC2=C(C1)C1=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C1N2	REAL300004953294	0	49	-2.0	-127.76	382.75	7.11	-120.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2NC2CCCCC2)CC1	REAL300004953295	0	51	-2.0	-124.82	387.06	9.57	-115.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN3C=C(Cl)C=C(Cl)C3=N2)CC1	REAL300004953296	0	36	-2.0	-131.55	333.99	9.53	-122.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(N3C=NC4=CC=CC=C43)N=C2)CC1	REAL300004953297	0	45	-2.0	-124.19	369.60	11.11	-113.08
CS(=O)(=O)C1=CC=C(NCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953298	0	44	-2.0	-126.91	371.18	4.00	-122.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=C(C(F)(F)F)C=C3N2)CC1	REAL300004953299	0	40	-2.0	-118.68	342.33	8.65	-110.03
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953300	0	43	-2.0	-118.45	358.72	9.44	-109.01
CC1=CC=C(OCCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300004953301	0	49	-2.0	-122.73	390.00	9.99	-112.74
CN(C)C1=NC2=CC=CC=C2C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953302	0	46	-2.0	-122.81	366.95	9.31	-113.50
CC1=CC=C(C2=NNC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)C=C1C	REAL300004953303	0	46	-2.0	-119.56	369.74	8.81	-110.75
CC1=CC=C(C2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NN2)C=C1C	REAL300004953303	1	46	-2.0	-127.52	369.62	8.98	-118.54
CC1=NNC(C)=C1C(C)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953304	0	45	-2.0	-122.79	346.39	6.81	-115.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(N3CCCC3)=N2)CC1	REAL300004953305	0	43	-2.0	-129.22	341.70	7.97	-121.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCN(CC(F)(F)F)C2)CC1	REAL300004953306	0	44	-2.0	-123.15	343.35	5.84	-117.31
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953307	0	40	-2.0	-120.19	337.20	9.00	-111.19
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953308	0	43	-2.0	-134.59	349.80	9.63	-124.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC=C2OC2=CC=CC=C2)CC1	REAL300004953309	0	43	-2.0	-123.57	353.73	9.14	-114.43
CC1=NN(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300004953310	0	46	-2.0	-128.13	379.77	9.83	-118.30
CC(C)(O)C(OC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953311	0	47	-2.0	-118.75	357.79	7.12	-111.63
CC(C)(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300004953312	0	45	-2.0	-121.58	355.62	9.70	-111.88
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3C(=C2)CCCCC3=O)CC1	REAL300004953313	0	45	-2.0	-121.42	355.93	9.36	-112.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=NC=CN3C2)CC1	REAL300004953314	0	40	-2.0	-119.60	317.29	7.54	-112.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(CC3=CC=CC=C3)=NN2)CC1	REAL300004953315	0	43	-2.0	-117.88	354.38	8.37	-109.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC(C2=CC=C(O)C=C2)C2CC2)CC1	REAL300004953316	0	47	-2.0	-122.15	374.35	8.04	-114.11
CN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1CC1=CC=CC=C1	REAL300004953317	0	46	-2.0	-126.94	367.51	9.01	-117.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCN3C=CN=C3C2)CC1	REAL300004953318	0	40	-2.0	-123.98	314.38	7.40	-116.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=CN=CN3C2)CC1	REAL300004953319	0	40	-2.0	-119.63	316.38	8.21	-111.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(=O)C3=CC=CC=C3)N=CN2)CC1	REAL300004953320	0	42	-2.0	-135.56	353.55	8.78	-126.78
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953321	0	46	-2.0	-122.10	351.13	6.34	-115.76
NS(=O)(=O)CCCCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953322	0	46	-2.0	-130.14	379.85	3.32	-126.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OCC(F)F)N=C2)CC1	REAL300004953323	0	39	-2.0	-121.69	334.76	5.18	-116.51
CC(C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1)C(F)(F)F	REAL300004953324	0	42	-2.0	-123.11	346.13	9.28	-113.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(OCC(F)F)C=N2)CC1	REAL300004953325	0	38	-2.0	-126.97	329.16	4.14	-122.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(N3CCOCC3)CC2)CC1	REAL300004953326	0	43	-2.0	-124.19	325.85	3.75	-120.44
CC(C)(O)C1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004953327	0	49	-2.0	-122.53	363.51	6.19	-116.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(OC3=CC=C(Cl)C=C3)CC2)CC1	REAL300004953328	0	41	-2.0	-120.55	347.84	8.89	-111.66
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CS(=O)(=O)C2)CC1	REAL300004953329	0	36	-2.0	-126.55	303.94	3.15	-123.40
CC(C)N1C=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953330	0	42	-2.0	-129.87	339.86	7.37	-122.50
CN1C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300004953331	0	45	-2.0	-135.38	365.99	9.51	-125.87
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=NC3=CC=CC=C3C=C2)CC1	REAL300004953332	0	44	-2.0	-124.93	359.01	9.35	-115.58
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=C(N=CNC2=O)O1	REAL300004953333	0	38	-2.0	-139.06	326.51	4.09	-134.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=CN=C2)CC1	REAL300004953334	0	38	-2.0	-122.41	313.87	7.24	-115.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CN=C2N2CCCC2)CC1	REAL300004953335	0	44	-2.0	-125.52	347.64	7.56	-117.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=NC3=CC=CC=C3N2)CC1	REAL300004953336	0	42	-2.0	-124.27	344.78	7.68	-116.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=C(F)C=C3S2)CC1	REAL300004953337	0	36	-2.0	-122.11	316.02	8.64	-113.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COCC2=NC3=CC=CC=C3S2)CC1	REAL300004953338	0	42	-2.0	-130.19	363.78	8.06	-122.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(N3CCCC3)=CC=N2)CC1	REAL300004953339	0	44	-2.0	-127.59	346.21	6.79	-120.80
CNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953340	0	44	-2.0	-126.30	369.93	4.00	-122.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC3=CC=CC=C32)CC1	REAL300004953341	0	38	-2.0	-122.80	313.09	7.60	-115.20
CC1=NC2=CC=CC=C2C(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953342	0	44	-2.0	-123.49	354.24	8.68	-114.81
CN(C)C1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953343	0	47	-2.0	-121.26	369.39	9.36	-111.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C(O)C2=NC3=CC=CC=C3S2)CC1	REAL300004953344	0	43	-2.0	-126.18	360.70	3.41	-122.77
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2C(=N1)ON=C2C(C)C	REAL300004953345	0	46	-2.0	-117.11	371.62	6.10	-111.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(C3=CC=CC=N3)=N2)CC1	REAL300004953346	0	38	-2.0	-140.11	332.97	6.96	-133.15
CCN(CC)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004953347	1	47	-2.0	-125.87	367.94	6.88	-118.99
CN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004953349	0	41	-2.0	-124.23	328.18	8.40	-115.83
CC1=CC=C(N2CCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2)N=C1	REAL300004953350	0	50	-2.0	-121.58	382.06	8.44	-113.14
CN(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300004953351	0	44	-2.0	-120.97	347.67	7.20	-113.77
CN(C)C1=CC=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953352	0	40	-2.0	-129.94	320.63	6.68	-123.26
CCCCN(CC)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953353	0	53	-2.0	-124.95	410.83	11.03	-113.92
CCCCN(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953354	0	50	-2.0	-124.12	387.27	9.99	-114.13
CCCN(CC)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004953355	0	49	-2.0	-122.92	386.40	9.68	-113.24
CC(=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300004953356	0	40	-2.0	-120.22	342.57	9.97	-110.25
CN1CCOCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953357	0	39	-2.0	-120.43	301.60	2.76	-117.67
CN1C=CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953358	0	39	-2.0	-124.24	321.35	6.68	-117.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(C=CO3)N2)CC1	REAL300004953359	0	34	-2.0	-121.58	284.11	5.74	-115.84
CC1=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=NN2C=C1	REAL300004953360	0	39	-2.0	-128.47	322.74	7.62	-120.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3CC3)N=NS2)CC1	REAL300004953361	0	35	-2.0	-115.25	305.28	6.03	-109.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3NC=CC3=C2)CC1	REAL300004953363	0	36	-2.0	-124.74	299.18	6.48	-118.26
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNC3=NC=CC3=C2)CC1	REAL300004953363	1	36	-2.0	-123.10	299.05	6.55	-116.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NNC=C3)S2)CC1	REAL300004953364	0	37	-2.0	-123.17	325.02	6.40	-116.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NN2CC(F)(F)F)CC1	REAL300004953365	0	36	-2.0	-119.41	309.95	6.21	-113.20
CC(C)CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1C=CN=C1	REAL300004953366	0	45	-2.0	-120.30	351.72	9.66	-110.64
CCC1=NN(C)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953367	0	39	-2.0	-123.01	318.57	6.33	-116.68
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3CCCCC3=C2)CC1	REAL300004953368	0	40	-2.0	-130.51	317.54	7.23	-123.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(N3C=CN=N3)C=CS2)CC1	REAL300004953369	0	36	-2.0	-139.61	318.04	6.29	-133.32
CCC(C)(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953370	0	48	-2.0	-121.50	361.14	9.88	-111.62
CC(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N1	REAL300004953371	0	36	-2.0	-127.17	302.60	5.91	-121.26
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1OC	REAL300004953372	0	44	-2.0	-122.64	353.08	7.20	-115.44
COCCN1N=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953373	0	40	-2.0	-120.53	325.64	4.86	-115.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=NN2C2=CC=CC(F)=C2)CC1	REAL300004953374	0	39	-2.0	-119.93	324.32	6.91	-113.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=NC=C3)N=C2)CC1	REAL300004953375	0	39	-2.0	-121.81	325.65	6.51	-115.30
CC(CC1=CC=C(Br)C=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953376	0	42	-2.0	-118.53	356.10	9.96	-108.57
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNN=C2C2=CC=C(Cl)S2)CC1	REAL300004953377	0	37	-2.0	-124.53	341.95	7.00	-117.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3=CC=C(Cl)S3)NN=C2)CC1	REAL300004953377	1	37	-2.0	-124.50	342.51	6.94	-117.56
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=C(Cl)S2)=N1	REAL300004953378	0	40	-2.0	-121.20	356.30	8.22	-112.98
CC(C)(C)OCC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953379	0	49	-2.0	-123.50	380.91	9.24	-114.26
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)N1C1=CN(C)N=C1	REAL300004953380	0	47	-2.0	-128.79	379.50	8.86	-119.93
CCOC1=C2C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CNC2=CC=C1	REAL300004953381	0	47	-2.0	-130.03	379.54	8.54	-121.49
CCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCOCC1	REAL300004953382	0	43	-2.0	-122.86	309.30	5.70	-117.16
NC1=C(Cl)C=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1Cl	REAL300004953383	0	35	-2.0	-120.25	315.43	6.22	-114.03
CCCC1=NOC2=NC(CC)=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300004953384	0	49	-2.0	-117.04	390.50	7.08	-109.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CC3CC3)N=N2)CC1	REAL300004953385	0	39	-2.0	-130.24	324.04	6.53	-123.71
CCCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004953386	0	38	-2.0	-129.65	314.19	5.73	-123.92
CC(C)N1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004953387	0	38	-2.0	-129.09	311.47	5.49	-123.60
CC1=NC(CN2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=N2)=NO1	REAL300004953388	0	40	-2.0	-134.05	344.16	3.46	-130.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNN=C2C2=CSC=C2)CC1	REAL300004953389	0	37	-2.0	-124.66	323.82	6.18	-118.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CC3CCOC3)N=N2)CC1	REAL300004953390	0	43	-2.0	-132.91	348.97	5.07	-127.84
CC1=CC(CN2N=NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2C)=NO1	REAL300004953391	0	44	-2.0	-133.73	366.47	6.64	-127.09
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=NN1CC1CCCC1	REAL300004953392	0	48	-2.0	-131.16	374.05	8.14	-123.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300004953393	0	36	-3.0	-173.35	313.27	4.65	-168.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300004953393	1	36	-3.0	-173.32	313.34	4.65	-168.67
CC(CC1=CN(C)N=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953394	0	42	-2.0	-123.09	335.11	6.97	-116.12
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C(C2=CN(C)N=C2)O1	REAL300004953395	0	42	-2.0	-134.12	351.72	5.42	-128.70
CC1=NC2=CC=NN2C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953396	0	38	-2.0	-118.51	318.43	6.72	-111.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(OCC(F)F)=C2)CC1	REAL300004953397	0	39	-2.0	-123.51	334.79	5.17	-118.34
CC(C)CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)F)=N1	REAL300004953398	0	45	-2.0	-124.56	371.87	8.15	-116.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CN=C2OCC(F)F)CC1	REAL300004953399	0	39	-2.0	-132.59	336.02	5.47	-127.12
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(OCC(F)F)=N2)CC1	REAL300004953400	0	39	-2.0	-124.27	332.55	6.28	-117.99
CC(=O)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1C	REAL300004953401	0	41	-2.0	-120.54	328.49	8.23	-112.31
CC1=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN2C=C1	REAL300004953402	0	39	-2.0	-140.86	319.79	10.05	-130.81
CCC1=CC=CN=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953403	0	38	-2.0	-127.77	309.89	6.90	-120.87
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1CCCCC1	REAL300004953404	0	49	-2.0	-133.41	378.90	9.51	-123.90
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C(C)C1CC1	REAL300004953405	0	46	-2.0	-132.80	368.79	9.18	-123.62
CN(C)CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004953406	0	40	-2.0	-124.18	326.39	4.68	-119.50
CN(C)C1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N(C)C2=NC=N1	REAL300004953407	0	46	-2.0	-119.46	361.52	7.99	-111.47
CCC(CC)N1N=C(C)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953408	0	48	-2.0	-119.77	371.56	8.54	-111.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(OCC(F)F)=CC=N2)CC1	REAL300004953409	0	39	-2.0	-133.11	331.98	6.73	-126.38
COC1=CC=CN2N=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300004953411	0	40	-2.0	-133.68	323.82	7.38	-126.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3CCC3)N=C2)CC1	REAL300004953412	0	40	-2.0	-122.66	319.87	6.83	-115.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=NC=CC=C3O2)CC1	REAL300004953413	0	35	-2.0	-124.41	296.24	6.10	-118.31
COCCCOC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004953414	0	50	-2.0	-125.78	396.92	8.00	-117.78
COC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1C(F)(F)F	REAL300004953415	0	43	-2.0	-123.12	343.14	9.00	-114.12
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NN2C2CCC2)CC1	REAL300004953416	0	40	-2.0	-119.20	316.85	7.10	-112.10
CC1=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=N1	REAL300004953417	0	36	-2.0	-123.28	311.20	6.51	-116.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(Cl)C=C2)CC1	REAL300004953418	0	37	-2.0	-120.57	322.73	9.18	-111.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=C2OCC3)CC1	REAL300004953419	0	38	-2.0	-129.59	310.93	7.13	-122.46
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C(C(C)(C)C)O1	REAL300004953420	0	45	-2.0	-121.65	357.25	8.84	-112.81
CC1=CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004953421	0	38	-2.0	-122.14	315.45	7.10	-115.04
CC(C)(C)C1=NC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953422	0	45	-2.0	-124.60	372.91	8.48	-116.12
CS(=O)(=O)NC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953423	0	45	-2.0	-130.34	379.31	5.37	-124.97
CCC(C)OC1=CC=CC=C1C=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953424	0	50	-2.0	-127.56	395.86	10.48	-117.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=NC3=CC(Cl)=CC=C3C=C2)CC1	REAL300004953425	0	42	-2.0	-129.69	366.93	9.84	-119.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNC=C2CC2=CC=CC=C2)CC1	REAL300004953426	0	44	-2.0	-133.45	358.90	9.55	-123.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3CC3)OC(C3CC3)=C2)CC1	REAL300004953428	0	44	-2.0	-123.74	359.16	10.07	-113.67
CC1=CC=CC=C1C(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953429	0	42	-2.0	-121.98	329.27	9.16	-112.82
COC1=NN(C)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953430	0	37	-2.0	-126.86	310.09	2.97	-123.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=CC(OC3CCCC3)=C2)CC1	REAL300004953431	0	51	-2.0	-121.54	401.23	10.90	-110.64
CCC1=CC=C(Br)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953432	0	39	-2.0	-123.20	332.49	9.14	-114.06
COC1=CC(Br)=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953433	0	37	-2.0	-120.88	324.25	7.14	-113.74
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC=N1	REAL300004953435	0	35	-2.0	-123.34	294.64	4.57	-118.77
COC1=NC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953436	0	35	-2.0	-129.10	294.90	3.17	-125.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C(Br)=CC=CN3N=C2)CC1	REAL300004953437	0	36	-2.0	-129.58	316.87	7.46	-122.12
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C(F)(F)F)O2)CC1	REAL300004953438	0	33	-2.0	-121.26	295.32	6.67	-114.59
CC1(C)C(C)(C)C1(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953439	0	45	-2.0	-123.77	324.73	8.20	-115.57
CCC1=NOC(COCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953440	0	41	-2.0	-128.20	345.17	4.84	-123.36
COC1=CC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C(C)N=C2C=C1	REAL300004953441	0	45	-2.0	-123.06	362.64	7.53	-115.53
CC1=CC=CC=C1C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953442	0	46	-2.0	-126.27	357.69	11.05	-115.22
CC1=CC2=CC=C(C)C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2C=C1	REAL300004953443	0	45	-2.0	-129.30	362.58	10.68	-118.62
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(OC(F)(F)F)=C1	REAL300004953444	0	40	-2.0	-124.13	341.40	8.00	-116.13
CC1=CN=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300004953445	0	38	-2.0	-126.77	313.59	6.63	-120.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(C3=CC=CO3)=C2)CC1	REAL300004953446	0	39	-2.0	-124.30	329.41	7.19	-117.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC(C(F)(F)F)=N2)CC1	REAL300004953447	0	34	-2.0	-123.56	301.98	5.27	-118.29
CCCOC1=NC2=CC=CC=C2C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953448	0	48	-2.0	-126.22	390.79	8.19	-118.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(C3=CC=CC=N3)=N2)CC1	REAL300004953449	0	40	-2.0	-137.65	337.67	7.48	-130.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=COC3=CC=N2)CC1	REAL300004953450	0	35	-2.0	-132.15	292.51	6.62	-125.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CCOC2CCCC3)CC1	REAL300004953451	0	44	-2.0	-125.19	316.47	6.41	-118.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1	REAL300004953452	0	50	-2.0	-125.04	379.89	4.95	-120.09
CC1=CN=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004953453	0	38	-2.0	-130.48	306.75	7.50	-122.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN3CCCCC3=N2)CC1	REAL300004953455	0	40	-2.0	-134.63	317.35	8.23	-126.40
CC1=NN(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NC=CC=C12	REAL300004953456	0	41	-2.0	-132.70	343.18	7.55	-125.15
CCCOC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(F)C=C1C	REAL300004953457	0	49	-2.0	-119.49	385.90	9.52	-109.97
CN1N=C(C2CC2)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953458	0	40	-2.0	-118.33	321.33	6.99	-111.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3CCCCC3)O2)CC1	REAL300004953459	1	48	-2.0	-125.24	372.73	7.19	-118.05
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953460	0	48	-2.0	-123.75	377.27	9.97	-113.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2COC3=C(F)C=C(F)C=C3C2)CC1	REAL300004953461	0	41	-2.0	-118.34	339.20	8.04	-110.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CC3CC3)S2)CC1	REAL300004953462	0	40	-2.0	-122.41	337.18	9.31	-113.10
COC1=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(OC)=C1	REAL300004953463	0	44	-2.0	-124.99	356.14	6.78	-118.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C3=CC=CC=C3)=N2)CC1	REAL300004953464	0	42	-2.0	-138.21	341.57	9.77	-128.44
CC1=C2NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC2=CC=C1[N+](=O)[O-]	REAL300004953465	0	42	-2.0	-118.65	346.61	8.85	-109.80
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=CNN=C32)CC1	REAL300004953466	0	37	-2.0	-130.94	291.00	5.73	-125.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=C2NN=C3)CC1	REAL300004953466	1	37	-2.0	-122.65	290.98	5.57	-117.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCCCCCCC2CC2)CC1	REAL300004953467	0	54	-2.0	-119.32	419.23	12.21	-107.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCCOCC2)CC1	REAL300004953468	0	43	-2.0	-121.74	322.69	6.76	-114.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@]23CCO[C@@H]2CCCCC3)CC1	REAL300004953469	0	47	-2.0	-123.49	316.72	6.64	-116.85
CC12CCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)(CC1)CO2	REAL300004953470	0	44	-2.0	-121.53	320.71	6.37	-115.16
CC1CCC(C)(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004953471	0	45	-2.0	-122.25	323.09	8.12	-114.13
CC(C)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SN=N1	REAL300004953472	0	37	-2.0	-114.54	313.92	5.76	-108.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=C2NN=C3)CC1	REAL300004953473	0	40	-2.0	-122.53	317.16	6.09	-116.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=CNN=C32)CC1	REAL300004953473	1	40	-2.0	-130.34	309.71	6.39	-123.95
COC1=C2C=CSC2=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953474	0	40	-2.0	-125.28	340.59	7.93	-117.35
CC1(C2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)CC1	REAL300004953475	0	43	-2.0	-123.49	338.61	9.66	-113.83
CC1CCN(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)C1	REAL300004953476	0	48	-2.0	-123.21	366.20	8.15	-115.06
C=CCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004953477	0	37	-2.0	-122.94	308.88	6.27	-116.67
CC1=NOC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953478	0	38	-2.0	-120.45	315.47	7.15	-113.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3C(=C2)CCS3(=O)=O)CC1	REAL300004953479	0	40	-2.0	-131.13	337.39	5.07	-126.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(C3CCC3)=C2)CC1	REAL300004953480	0	39	-2.0	-123.88	318.35	7.91	-115.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC=C2C2=CC=CC=C2)CC1	REAL300004953481	0	39	-2.0	-129.16	326.28	8.80	-120.36
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC(F)=CC(F)=C1	REAL300004953482	0	39	-2.0	-119.46	323.17	8.68	-110.78
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COCC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300004953483	0	43	-2.0	-121.97	370.35	9.59	-112.38
CC1(C)C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1(C)C	REAL300004953484	0	45	-2.0	-119.97	340.10	8.82	-111.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=C(Cl)C=C3S2)CC1	REAL300004953485	0	36	-2.0	-121.73	326.34	9.07	-112.66
COC1=CC=CC(N2C=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)=C1	REAL300004953486	0	44	-2.0	-139.77	361.04	8.26	-131.51
COC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC(F)=CC(F)=C1	REAL300004953487	0	40	-2.0	-117.94	336.25	8.11	-109.83
COC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=CC(Cl)=C1	REAL300004953488	0	41	-2.0	-118.58	350.33	7.38	-111.20
CC1(C)CC2(CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2)C1	REAL300004953489	0	46	-2.0	-120.73	350.13	9.34	-111.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=CC=CC=C3)C=N2)CC1	REAL300004953490	0	42	-2.0	-130.08	341.67	9.68	-120.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CC3CCCO3)N=N2)CC1	REAL300004953491	0	43	-2.0	-133.09	349.53	5.21	-127.88
C[C@@H]1C[C@H](C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC(C)(C)C1	REAL300004953492	0	48	-2.0	-121.20	353.07	9.12	-112.08
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(OC)=N1	REAL300004953493	0	40	-2.0	-122.22	327.03	3.59	-118.63
CC(C)CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)C	REAL300004953494	0	47	-2.0	-120.93	337.17	8.47	-112.46
CC1(C)C2CCC(C2)C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953495	0	46	-2.0	-122.91	324.61	8.82	-114.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3C=CC(C(F)(F)F)=NC3=N2)CC1	REAL300004953496	0	37	-2.0	-133.65	331.59	9.32	-124.33
COCC1CCN(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)C1	REAL300004953497	0	52	-2.0	-123.63	399.68	7.22	-116.41
COC1=CC=CC(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953498	0	40	-2.0	-128.73	325.95	7.26	-121.47
CC(C)C1=CC=C(Cl)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953499	0	42	-2.0	-123.71	346.95	9.56	-114.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CS3)CC2)CC1	REAL300004953500	0	37	-2.0	-121.69	315.07	8.27	-113.42
CCC(C)(COCC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953501	0	52	-2.0	-121.52	396.04	9.54	-111.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(CCC2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300004953502	0	52	-2.0	-123.10	411.01	12.81	-110.29
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCOCC3)CC2)CC1	REAL300004953503	0	44	-2.0	-123.63	332.73	7.15	-116.48
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC2CCC(C1)S2	REAL300004953505	0	44	-2.0	-129.06	309.08	7.66	-121.40
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC2CCC(C1)S2(=O)=O	REAL300004953506	0	46	-2.0	-132.58	338.35	4.65	-127.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCO[C@H]2C(F)(F)F)CC1	REAL300004953507	0	37	-2.0	-117.41	304.94	5.45	-111.96
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CS2)=NO1	REAL300004953508	0	39	-2.0	-120.23	346.81	8.41	-111.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)CC2=CC(Cl)=CC(Cl)=C2)CC1	REAL300004953509	0	40	-2.0	-117.36	358.01	7.66	-109.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC=CC3=C2OCC3)CC1	REAL300004953510	0	42	-2.0	-125.42	329.81	6.16	-119.26
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC(O)C2CCCC2)CC1	REAL300004953511	0	43	-2.0	-123.01	329.54	6.51	-116.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(CC(F)(F)F)C=C2)CC1	REAL300004953512	0	36	-2.0	-136.33	314.72	6.93	-129.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=C(OC(F)F)C=C2)CC1	REAL300004953513	0	44	-2.0	-124.74	364.24	9.11	-115.63
CC1(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCC1	REAL300004953514	0	43	-2.0	-122.29	331.23	8.03	-114.26
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC=C3C=N2)CC1	REAL300004953515	0	38	-2.0	-131.61	313.91	8.54	-123.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2CC(F)(F)C2)CC1	REAL300004953516	0	39	-2.0	-121.41	320.62	8.25	-113.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2COC3=CC(Cl)=CC=C3C2)CC1	REAL300004953517	0	41	-2.0	-117.19	340.93	8.28	-108.91
CC1(C)COCC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004953518	0	44	-2.0	-123.94	339.58	6.41	-117.53
CC1(C)CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCO1	REAL300004953519	0	43	-2.0	-120.05	324.00	6.41	-113.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCCC(F)(F)F)CC1	REAL300004953520	0	38	-2.0	-119.87	319.76	7.91	-111.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@@H](OC(F)F)C2)CC1	REAL300004953521	0	37	-2.0	-123.06	309.00	5.81	-117.25
CC(C)(C)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953522	0	44	-2.0	-132.91	344.90	8.73	-124.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(N3C=NC=N3)=N2)CC1	REAL300004953523	0	38	-2.0	-128.94	323.26	9.87	-119.07
COC1=CC=CC=C1C1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953524	0	43	-2.0	-124.79	364.01	7.81	-116.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3N(CCNS3(=O)=O)N=C2)CC1	REAL300004953525	0	39	-2.0	-136.14	331.48	0.31	-135.83
CC(C)(C)N1N=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953526	0	42	-2.0	-120.04	320.42	6.86	-113.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC[C@H]2C2CC2)CC1	REAL300004953527	0	43	-2.0	-122.77	321.12	9.15	-113.62
CC1=NC2=C(CCCC2CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004953528	0	45	-2.0	-131.36	351.69	7.06	-124.30
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CN=CC=C12	REAL300004953529	0	42	-2.0	-125.66	341.94	7.04	-118.62
CCCCCC1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953530	0	51	-2.0	-122.68	405.02	11.99	-110.69
CCCCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953531	0	41	-2.0	-119.31	343.54	7.35	-111.96
CC(C)(C)OCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953532	0	45	-2.0	-120.47	368.94	6.19	-114.28
CCC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004953533	0	35	-2.0	-129.68	300.81	6.50	-123.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC=C2C2CC2)CC1	REAL300004953534	0	37	-2.0	-130.24	300.52	6.28	-123.96
COC1=CC(F)=CC(N2C=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=N2)=C1	REAL300004953535	0	44	-2.0	-132.87	367.44	8.33	-124.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3CC3CC2)CC1	REAL300004953536	0	43	-2.0	-120.96	313.70	8.54	-112.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCC=CCC2)CC1	REAL300004953537	0	43	-2.0	-119.69	323.08	8.87	-110.82
CC(=O)N1CSC[C@@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953538	0	38	-2.0	-132.44	311.47	6.59	-125.85
CC1(C)CCC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004953539	0	43	-2.0	-121.71	324.68	8.33	-113.38
COCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCCO1	REAL300004953540	0	44	-2.0	-128.42	325.66	6.31	-122.11
CC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C(F)(F)F	REAL300004953541	0	39	-2.0	-125.69	322.95	8.56	-117.13
CN(C)C1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)SC2=CC=C1	REAL300004953542	0	44	-2.0	-125.50	363.93	8.05	-117.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2C3CC2(C2=CC=NC=C2)CC3)CC1	REAL300004953543	0	46	-2.0	-124.88	352.29	9.31	-115.57
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CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2CCCCC2=N1	REAL300004953546	0	45	-2.0	-121.07	351.29	8.46	-112.61
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953547	0	50	-2.0	-129.43	392.45	10.33	-119.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=CN=C2)CC1	REAL300004953548	0	36	-2.0	-125.23	301.35	6.96	-118.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC(O)(C3=CC=CC=C3)C2)CC1	REAL300004953549	0	47	-2.0	-121.96	360.49	7.13	-114.83
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004953550	0	47	-2.0	-122.33	371.18	6.76	-115.57
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004953551	0	51	-2.0	-122.38	404.85	5.81	-116.57
CN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004953552	0	44	-2.0	-122.25	345.17	6.10	-116.15
CC1=C([C@@H]2OCC[C@H]2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C	REAL300004953553	0	47	-2.0	-121.77	365.73	6.32	-115.45
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953554	0	53	-2.0	-125.24	404.85	8.41	-116.83
CN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C1=CC=C(F)C=C1	REAL300004953555	0	43	-2.0	-129.00	354.85	8.84	-120.16
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953556	0	47	-2.0	-123.73	361.41	6.81	-116.92
CC(C)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C(C)C)O1	REAL300004953557	0	48	-2.0	-123.06	380.22	9.72	-113.34
COC1=CC=C(N2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=N2)C=C1	REAL300004953558	0	43	-2.0	-130.84	356.61	6.76	-124.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2N=NN=C2C2=CC=CC=C2)CC1	REAL300004953559	0	41	-2.0	-124.05	341.31	7.05	-117.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3CC3)O2)CC1	REAL300004953560	0	37	-2.0	-125.07	307.56	7.87	-117.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3=CC=CC=N3)N=C2)CC1	REAL300004953561	0	40	-2.0	-121.72	334.54	6.46	-115.26
COC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300004953562	0	43	-2.0	-123.48	343.89	8.01	-115.47
CN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C(F)F	REAL300004953563	0	36	-2.0	-127.11	307.86	6.32	-120.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC2C2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300004953564	0	42	-2.0	-123.02	345.24	10.12	-112.90
CS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953565	0	45	-2.0	-129.87	379.72	6.55	-123.32
CC(C)CC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953566	0	41	-2.0	-119.37	339.69	7.11	-112.26
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(C3CCCCC3)=C2)CC1	REAL300004953567	0	46	-2.0	-121.80	367.51	10.27	-111.53
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CC(C)(C)CC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953569	0	44	-2.0	-119.58	356.40	7.66	-111.92
CC1CC2CC2CC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953570	0	43	-2.0	-122.80	310.25	8.51	-114.29
CCCC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953571	0	42	-2.0	-123.96	332.48	9.22	-114.74
COC12CCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)(CC1)CC2	REAL300004953572	0	47	-2.0	-120.46	335.36	6.75	-113.71
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953573	0	50	-2.0	-121.18	386.06	7.56	-113.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=NOC(C3CC3)=C2)CC1	REAL300004953574	0	39	-2.0	-127.54	325.45	8.00	-119.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=CC=C2)CC1	REAL300004953575	0	37	-2.0	-122.12	306.01	8.65	-113.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=CC=C2Cl)CC1	REAL300004953576	0	37	-2.0	-124.07	320.72	9.15	-114.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=CC(F)=C2)CC1	REAL300004953577	0	37	-2.0	-120.67	312.42	8.72	-111.95
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(Br)O2)CC1	REAL300004953578	0	34	-2.0	-122.84	310.30	7.58	-115.26
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3SC=NC3=C2)CC1	REAL300004953579	0	35	-2.0	-123.64	304.01	6.56	-117.08
CSC1=CC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953580	0	43	-2.0	-121.58	359.25	10.05	-111.53
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953581	0	38	-2.0	-122.99	323.76	8.41	-114.58
CP(C)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953582	0	42	-2.0	-125.45	350.82	6.67	-118.78
COC1=CC(=O)NC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953583	0	37	-2.0	-124.45	311.71	3.68	-120.77
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CCCCS(=O)(=O)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953585	0	41	-2.0	-134.19	343.62	4.75	-129.44
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COC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCCCC1	REAL300004953588	0	46	-2.0	-119.31	320.24	7.57	-111.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=C2CCCCC3)CC1	REAL300004953589	0	46	-2.0	-125.80	345.84	10.04	-115.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=NN(CC(F)(F)F)C=C2)CC1	REAL300004953590	0	39	-2.0	-132.01	339.06	7.35	-124.66
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2N2C=CC=C2)CC1	REAL300004953592	0	41	-2.0	-128.41	338.22	10.22	-118.19
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC=C2N2CCOCC2)CC1	REAL300004953593	0	45	-2.0	-121.81	355.59	4.83	-116.98
CCOC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2C=C1	REAL300004953594	0	46	-2.0	-135.87	373.44	9.82	-126.05
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(F)C1=CC=CC=C1	REAL300004953595	0	45	-2.0	-121.78	341.78	9.18	-112.60
CC1(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)CC1	REAL300004953596	0	43	-2.0	-122.31	338.06	9.64	-112.67
CC(C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953597	0	42	-2.0	-121.60	343.81	8.98	-112.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C3OCCCC3=C2)CC1	REAL300004953598	0	47	-2.0	-122.66	372.74	9.66	-113.00
CC1=NN(C2=CC=CC=C2)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953599	0	43	-2.0	-122.39	348.27	8.83	-113.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C(=O)C3=CC=CC=C3)=CN2)CC1	REAL300004953600	0	43	-2.0	-123.78	354.19	8.71	-115.07
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953601	0	43	-2.0	-118.79	356.30	8.58	-110.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3CC3)C=C2)CC1	REAL300004953602	0	41	-2.0	-123.23	331.04	8.12	-115.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC=CC3=NC=NC=C32)CC1	REAL300004953603	0	36	-2.0	-122.17	307.46	5.52	-116.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(O)CC(C3=CC=CC=C3)C2)CC1	REAL300004953604	0	44	-2.0	-122.67	349.66	6.90	-115.77
COC1=C(Cl)C=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953605	0	37	-2.0	-122.89	323.48	7.47	-115.42
CC(C)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C(C)C)N1	REAL300004953606	0	49	-2.0	-128.40	383.10	8.92	-119.48
CCCOC1=CC=C2NC=C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300004953607	0	50	-2.0	-132.19	402.45	9.29	-122.90
CC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2CCCCN12	REAL300004953608	0	43	-2.0	-136.57	335.21	8.74	-127.83
CC1=C(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C(F)(F)F)O1	REAL300004953609	0	39	-2.0	-122.40	340.82	8.01	-114.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN3CCOCC3=C2)CC1	REAL300004953610	0	39	-2.0	-127.66	313.06	6.12	-121.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(CC2=CC=CC=C2)C2CC2)CC1	REAL300004953611	0	46	-2.0	-122.08	367.22	10.85	-111.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2N=CC=C2C2=CC=CC=C2)CC1	REAL300004953612	0	43	-2.0	-127.64	350.41	8.62	-119.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCC3CC3C2)CC1	REAL300004953613	0	43	-2.0	-121.26	325.23	9.12	-112.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(C3=CC=CN=C3)=N2)CC1	REAL300004953614	0	38	-2.0	-136.64	332.46	7.05	-129.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3=CC=CC=C3F)OC=N2)CC1	REAL300004953615	0	39	-2.0	-126.34	332.30	5.54	-120.80
CC(C)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CN1	REAL300004953616	0	40	-2.0	-128.92	321.18	7.08	-121.84
CC1=CN=C2C(=C1)C=NN2CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953617	0	41	-2.0	-131.33	342.64	7.60	-123.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CC3CCCCO3)N=C2)CC1	REAL300004953618	0	47	-2.0	-123.43	371.71	6.87	-116.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC3=C2CCCCCC3)CC1	REAL300004953619	0	46	-2.0	-124.25	350.03	9.72	-114.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=CC=CN3C=N2)CC1	REAL300004953620	0	36	-2.0	-140.45	298.35	9.40	-131.05
CC1=CC=CN2N=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C12	REAL300004953621	0	39	-2.0	-132.51	322.36	8.11	-124.40
CC1(C)CCC2=C(C1)SC=C2C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953622	0	46	-2.0	-123.57	362.08	9.80	-113.77
CC1=CC2=CC=NC=C2C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953623	0	41	-2.0	-126.16	333.23	8.24	-117.92
CC(C)(C)OCCOCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953624	0	49	-2.0	-122.28	382.94	6.65	-115.63
CC(C)C1CCC2=C(C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)S2)C1	REAL300004953625	0	49	-2.0	-120.74	381.41	10.48	-110.26
CN1N=CC2=NC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C21	REAL300004953626	0	38	-2.0	-120.71	316.26	5.13	-115.58
CCOCCOCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953627	0	43	-2.0	-122.11	348.63	5.50	-116.61
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953628	0	43	-2.0	-119.98	359.48	9.03	-110.95
CC1(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCOCC1	REAL300004953629	0	44	-2.0	-122.76	337.40	6.28	-116.48
CC1=CC=CN2C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN=C12	REAL300004953630	0	42	-2.0	-128.42	345.59	9.20	-119.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2CCCO2)CC1	REAL300004953631	0	41	-2.0	-121.80	319.88	7.33	-114.47
CS(=O)(=O)C1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953632	0	42	-2.0	-131.78	358.34	5.74	-126.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CS3)CC3(CCC3)C2)CC1	REAL300004953633	0	47	-2.0	-122.62	372.41	10.39	-112.23
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC=C2)=CO1	REAL300004953634	0	43	-2.0	-124.35	361.97	9.91	-114.44
CC1=C(CC(F)(F)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2N1	REAL300004953635	0	46	-2.0	-122.40	378.73	9.57	-112.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(Cl)C=CC=C2OCC2CC2)CC1	REAL300004953636	0	44	-2.0	-131.80	375.73	9.66	-122.14
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CCCCC2)=NO1	REAL300004953637	0	48	-2.0	-119.88	380.66	9.54	-110.34
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2CCCC2)=NO1	REAL300004953638	0	45	-2.0	-119.32	362.26	8.90	-110.42
CC1=CSC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953639	0	36	-2.0	-121.80	309.50	8.00	-113.80
CC(C)COC1=CC=C(Cl)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953640	0	46	-2.0	-127.02	382.69	9.66	-117.36
CN1C=C(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCCO2)C=N1	REAL300004953641	0	44	-2.0	-123.19	342.60	5.98	-117.21
COCCOC1=CC=CC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953642	0	48	-2.0	-126.59	391.42	8.22	-118.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=CC=C2N2C=CC=N2)CC1	REAL300004953643	0	44	-2.0	-131.28	363.84	10.18	-121.10
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953644	0	43	-2.0	-121.82	363.03	10.27	-111.55
CC1=CC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300004953645	0	43	-2.0	-120.43	360.33	10.16	-110.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(C3CC3)C=C2)CC1	REAL300004953646	0	44	-2.0	-122.23	355.19	10.76	-111.47
CCOC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004953647	0	47	-2.0	-122.44	377.32	9.65	-112.79
CC1=CC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1OC(C)C	REAL300004953648	0	50	-2.0	-122.52	395.61	10.30	-112.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3COCCN3C(C3=CC=CC=C3)=N2)CC1	REAL300004953649	0	48	-2.0	-137.57	380.15	9.08	-128.49
C=CCCCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953650	0	46	-2.0	-123.23	371.59	10.76	-112.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=CC3=NSN=C32)CC1	REAL300004953651	0	37	-2.0	-127.82	321.91	6.54	-121.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CC1	REAL300004953652	0	45	-2.0	-135.34	366.26	5.30	-130.04
NS(=O)(=O)CCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953653	0	37	-2.0	-131.31	315.36	0.97	-130.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2C2CC2)CC1	REAL300004953655	0	40	-2.0	-126.05	319.46	9.20	-116.85
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2N=C1	REAL300004953656	0	44	-2.0	-124.46	356.93	8.93	-115.53
CC1=CC(C)=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)SC2=N1	REAL300004953657	0	41	-2.0	-126.20	345.73	7.87	-118.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCCO3)CCCO2)CC1	REAL300004953658	0	45	-2.0	-119.65	335.34	6.45	-113.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=NC=CS2)CC1	REAL300004953659	0	33	-2.0	-122.77	293.75	6.00	-116.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(F)C=C2F)CC1	REAL300004953660	0	37	-2.0	-122.10	318.37	8.83	-113.27
COC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004953661	0	40	-2.0	-122.24	321.14	7.22	-115.02
COC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CS1	REAL300004953662	0	34	-2.0	-127.83	290.73	6.08	-121.75
CN(C)S(=O)(=O)N1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004953663	0	49	-2.0	-127.56	388.12	4.44	-123.12
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CN=CC(Br)=C2)CC1	REAL300004953664	0	38	-2.0	-120.54	335.21	7.85	-112.69
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(F)=CC(OC(F)F)=C2)CC1	REAL300004953665	0	37	-2.0	-119.78	318.51	6.84	-112.94
CCCCCCCCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953666	0	57	-2.0	-122.99	444.77	13.32	-109.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2C3CC2(C2=CC=CN=C2)CC3)CC1	REAL300004953667	0	46	-2.0	-129.83	352.62	9.02	-120.81
COCC1(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCC1	REAL300004953668	0	46	-2.0	-121.92	346.77	7.50	-114.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC=C3)CCCCO2)CC1	REAL300004953669	0	47	-2.0	-123.19	354.94	9.15	-114.04
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953670	0	43	-2.0	-142.41	353.33	9.75	-132.66
CN1N=C(C2CCOCC2)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953671	0	47	-2.0	-121.27	364.39	6.32	-114.95
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=CC=CC=C1F	REAL300004953672	0	43	-2.0	-139.39	358.29	9.56	-129.83
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C(S(N)(=O)=O)S1	REAL300004953673	0	38	-2.0	-125.29	340.10	1.93	-123.36
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1OC(F)F	REAL300004953674	0	40	-2.0	-126.99	332.20	7.50	-119.49
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC2=CC=CC=C21	REAL300004953675	0	42	-2.0	-126.49	345.97	9.95	-116.54
C[C@H](CC1CCCCC1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953676	0	48	-2.0	-119.30	352.11	9.39	-109.91
CN1N=CC2=CC(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300004953677	0	42	-2.0	-124.17	346.49	8.16	-116.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3C=CC=C(Br)C3=N2)CC1	REAL300004953678	0	35	-2.0	-132.85	317.33	7.84	-125.01
CC1=CC(COCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004953679	0	39	-2.0	-124.40	328.30	6.80	-117.60
CC1=CC=CC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN=C12	REAL300004953680	0	41	-2.0	-121.84	334.22	8.40	-113.44
CCCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=N1	REAL300004953681	0	42	-2.0	-120.21	338.01	7.10	-113.11
CCCN1N=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004953682	0	42	-2.0	-124.28	338.53	7.08	-117.20
COC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300004953683	0	44	-2.0	-124.01	353.40	8.56	-115.45
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NN=C1C(F)(F)F	REAL300004953684	0	36	-2.0	-114.69	317.31	5.36	-109.33
CC1=C(C(F)(F)F)NN=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953684	1	36	-2.0	-121.63	310.43	5.84	-115.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC=C2N2C=CC=N2)CC1	REAL300004953685	0	39	-2.0	-130.63	322.76	7.03	-123.60
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=CC=N2)CC1	REAL300004953686	0	36	-2.0	-124.52	304.05	5.57	-118.95
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2CCC(CO)CC2)CC1	REAL300004953688	1	45	-2.0	-124.23	344.71	2.90	-121.33
CC(C)(CC1=CC=C(O)C=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953689	0	46	-2.0	-122.55	351.51	6.43	-116.12
CC1=CC=CC=C1C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004953690	0	49	-2.0	-124.81	378.48	11.61	-113.20
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCO1	REAL300004953691	0	43	-2.0	-125.23	315.22	6.89	-118.34
CC1=CC(Cl)=CC(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953692	0	39	-2.0	-120.00	332.94	8.96	-111.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3(C2)CC2(CCC2)C3)CC1	REAL300004953693	0	47	-2.0	-121.20	361.18	10.17	-111.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3CC3)=NC3=CC=NN32)CC1	REAL300004953694	0	42	-2.0	-124.83	351.72	8.46	-116.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3SC=CC3=NC=C2)CC1	REAL300004953695	0	35	-2.0	-122.59	305.42	6.73	-115.86
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC3=C2COC3)CC1	REAL300004953696	0	35	-2.0	-121.61	290.96	4.78	-116.83
C=CCC1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953697	0	40	-2.0	-125.79	325.13	9.13	-116.66
CC1(C)C2CCC1(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC2	REAL300004953698	0	46	-2.0	-122.93	324.33	8.40	-114.53
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC([N+](=O)[O-])=C1N	REAL300004953699	0	41	-2.0	-124.13	339.23	5.29	-118.84
CC(F)(F)C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCOCC1	REAL300004953700	0	43	-2.0	-123.51	316.19	5.74	-117.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCCO3)CCC2)CC1	REAL300004953701	0	44	-2.0	-120.23	331.03	6.98	-113.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCCCO3)CCCO2)CC1	REAL300004953702	0	48	-2.0	-130.46	348.74	7.17	-123.29
CC1=CC=CC(C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2CCCCC2)=C1	REAL300004953703	0	55	-2.0	-123.05	414.76	12.29	-110.76
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC(F)=C2)=N1	REAL300004953704	0	43	-2.0	-130.07	363.46	8.59	-121.48
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CSC=C2)=NO1	REAL300004953705	0	39	-2.0	-119.30	344.48	8.20	-111.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(Cl)C3=CC=CN=C23)CC1	REAL300004953706	0	41	-2.0	-126.72	352.10	9.17	-117.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3CCC3)N=C2)CC1	REAL300004953707	0	42	-2.0	-120.02	332.07	7.88	-112.14
CC1=CN2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)SC2=N1	REAL300004953708	0	36	-2.0	-122.11	312.29	7.67	-114.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC=CC(Cl)=C2)CC1	REAL300004953709	0	37	-2.0	-118.74	316.90	6.42	-112.32
CCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300004953710	0	42	-2.0	-121.80	350.08	9.80	-112.00
CC1=CC=C2SC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2=C1	REAL300004953711	0	41	-2.0	-122.57	337.45	9.95	-112.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(C3CCC3)C=C2)CC1	REAL300004953712	0	46	-2.0	-121.21	362.90	10.76	-110.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(C3=CC=CC=C3)=N2)CC1	REAL300004953713	0	41	-2.0	-130.76	339.51	9.25	-121.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C(F)(F)F)OC3=CC=CC=C32)CC1	REAL300004953714	0	39	-2.0	-123.17	344.32	8.94	-114.23
CC1=CC(C2CC2)=NC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953715	0	42	-2.0	-121.26	336.97	7.93	-113.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2C3CC2(C2=CC=CC=N2)CC3)CC1	REAL300004953716	0	46	-2.0	-131.69	353.98	9.97	-121.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=NC=C2)CC1	REAL300004953717	0	39	-2.0	-122.28	320.03	7.77	-114.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3C=C(Br)C=CC3=N2)CC1	REAL300004953718	0	35	-2.0	-127.97	317.52	7.89	-120.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(COC3=CC=CC=C3)=N2)CC1	REAL300004953719	0	43	-2.0	-132.44	369.20	8.35	-124.09
CC1=C(C)C2=C(C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N2)O1	REAL300004953720	0	40	-2.0	-120.07	324.90	7.13	-112.94
CC1=C(Cl)C=C2NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC2=C1	REAL300004953721	0	40	-2.0	-119.05	339.13	8.75	-110.30
COC1=CC=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N(C)C2=C1	REAL300004953722	0	44	-2.0	-123.34	351.05	8.02	-115.32
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(=O)N1	REAL300004953723	0	39	-2.0	-134.11	331.21	3.34	-130.77
COCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(=O)[N-]1	REAL300004953723	1	38	-3.0	-194.55	320.23	2.11	-192.44
CC1=CC=C(C(C)CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953724	0	45	-2.0	-121.13	353.88	10.15	-110.98
CN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300004953725	0	36	-2.0	-122.97	312.64	6.39	-116.58
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C(C)O1	REAL300004953726	0	39	-2.0	-123.05	318.42	7.72	-115.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3CC3(F)F)N=C2)CC1	REAL300004953727	0	37	-2.0	-122.20	314.53	6.46	-115.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(Cl)N2)CC1	REAL300004953728	0	31	-2.0	-117.84	274.09	5.94	-111.90
CC1=CC=C(C)C(C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)C)=C1	REAL300004953729	0	51	-2.0	-123.21	386.96	10.87	-112.34
CN1N=NC2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C21	REAL300004953730	0	38	-2.0	-120.29	311.06	5.42	-114.87
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCOC3)S2)CC1	REAL300004953731	0	40	-2.0	-118.04	335.27	5.11	-112.93
CN1C=CC([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953732	0	40	-2.0	-128.57	329.83	7.30	-121.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COCCC2=CC=C(Cl)S2)CC1	REAL300004953733	0	40	-2.0	-121.97	360.88	9.12	-112.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3CC3)OC=N2)CC1	REAL300004953734	0	36	-2.0	-128.13	298.43	5.39	-122.74
CCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)O1	REAL300004953735	0	39	-2.0	-122.32	316.72	7.69	-114.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2N=C(C(F)(F)F)C3=C2CCC3)CC1	REAL300004953736	0	43	-2.0	-124.65	366.28	8.39	-116.26
CN1C=CC(C2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NO2)=N1	REAL300004953737	0	39	-2.0	-128.46	333.73	6.61	-121.85
CCC(F)(F)C(C)(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953738	0	41	-2.0	-124.71	309.61	7.14	-117.57
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COCCC2=CC=CS2)CC1	REAL300004953739	0	40	-2.0	-120.89	343.34	8.46	-112.43
CC1=CC(Br)=CC(C)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953740	0	42	-2.0	-120.80	353.01	9.86	-110.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN3C=CC=C(Br)C3=N2)CC1	REAL300004953741	0	36	-2.0	-139.64	321.50	9.09	-130.55
COC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCOC1	REAL300004953742	0	44	-2.0	-121.91	332.80	5.86	-116.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=CC=C2)CC3)CC1	REAL300004953743	0	47	-2.0	-125.40	361.41	10.80	-114.60
CN1C=CC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300004953744	0	40	-2.0	-128.12	326.60	8.94	-119.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(F)C=C3OC=CC3=C2)CC1	REAL300004953745	0	36	-2.0	-123.17	306.39	7.56	-115.61
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=C(F)C=C3)=CS2)CC1	REAL300004953746	0	40	-2.0	-121.55	344.62	9.71	-111.84
CCC(C)(C)CCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953747	0	47	-2.0	-119.50	349.59	8.93	-110.57
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953748	0	43	-2.0	-122.38	346.40	10.21	-112.17
CC1=C(C)C2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C2N=N1	REAL300004953749	0	43	-2.0	-119.82	344.50	7.52	-112.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCNS2(=O)=O)CC1	REAL300004953750	0	38	-2.0	-131.07	311.84	1.62	-129.45
CC1OC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C1C	REAL300004953751	0	44	-2.0	-122.35	346.30	8.32	-114.03
COC1=CC=C2C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CNC2=C1	REAL300004953752	0	44	-2.0	-127.04	358.97	7.56	-119.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CN(CC3=CC=CC=C3)N=C2)CC1	REAL300004953753	0	46	-2.0	-124.96	381.37	9.83	-115.13
CCCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)O1	REAL300004953754	0	42	-2.0	-120.79	336.90	8.39	-112.40
CN1C=CC2=CC=NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C21	REAL300004953755	0	39	-2.0	-127.65	321.65	6.97	-120.68
CC(C)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC=C2)=NO1	REAL300004953756	0	48	-2.0	-122.82	392.98	10.78	-112.04
CC1=CC=CC=C1C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCC1	REAL300004953757	0	52	-2.0	-122.74	386.43	11.34	-111.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3CCC3)OC=N2)CC1	REAL300004953758	0	39	-2.0	-129.00	313.01	5.97	-123.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[C@H]3C[C@@H]2CO3)CC1	REAL300004953759	0	41	-2.0	-121.66	305.02	6.15	-115.51
CC(C)(C)C1=CN=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953760	0	44	-2.0	-120.65	344.23	7.71	-112.94
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953761	0	40	-2.0	-119.03	336.41	7.69	-111.34
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300004953762	0	42	-2.0	-121.32	352.69	9.64	-111.68
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC23CCOCC3)CC1	REAL300004953763	0	47	-2.0	-127.15	337.23	7.36	-119.79
COC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C(F)(F)F	REAL300004953764	0	39	-2.0	-118.03	337.42	5.01	-113.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=NC=CC=C3N=C2)CC1	REAL300004953765	0	37	-2.0	-124.71	308.45	5.58	-119.13
CC(C)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N(C)N=C1	REAL300004953766	0	42	-2.0	-119.98	341.90	7.05	-112.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CC3CC(=O)C3)N=N2)CC1	REAL300004953767	0	41	-2.0	-136.73	343.35	6.12	-130.61
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC3=NC=CN23)CC1	REAL300004953768	0	33	-2.0	-118.96	294.41	6.94	-112.02
CC1(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)CC1(F)F	REAL300004953769	0	43	-2.0	-124.55	350.01	9.79	-114.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC3=CC=CN=C3C=C2)CC1	REAL300004953770	0	41	-2.0	-124.62	338.26	8.54	-116.08
CSC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)C	REAL300004953771	0	39	-2.0	-120.65	309.41	7.32	-113.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCC3)NC2=O)CC1	REAL300004953772	0	42	-2.0	-133.85	334.06	6.13	-127.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300004953772	1	41	-3.0	-196.22	336.41	5.13	-191.09
CN1N=C(C2CCC2)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953773	0	43	-2.0	-119.59	337.14	7.51	-112.08
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(C)=N1	REAL300004953774	0	38	-2.0	-119.71	311.57	6.68	-113.03
CC1CCCN2C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN=C12	REAL300004953775	0	46	-2.0	-127.08	360.85	8.76	-118.32
CC1=NC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CN2C(C)=C1	REAL300004953776	0	42	-2.0	-139.40	339.90	9.01	-130.39
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300004953777	0	39	-2.0	-120.18	318.17	8.68	-111.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=NC=NN32)CC1	REAL300004953778	0	39	-2.0	-128.52	313.03	7.48	-121.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2(O)CCCOC2)CC1	REAL300004953779	0	41	-2.0	-121.36	313.79	4.40	-116.96
CC(C)(OCC(F)(F)F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953780	0	39	-2.0	-122.23	314.71	6.53	-115.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC[C@H]2C(F)(F)F)CC1	REAL300004953781	0	39	-2.0	-118.51	313.24	7.76	-110.75
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=C(Cl)C=C3OC2)CC1	REAL300004953782	0	39	-2.0	-120.02	336.05	8.27	-111.75
CCOC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300004953783	0	42	-2.0	-127.23	342.51	6.81	-120.42
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2N=C1	REAL300004953784	0	41	-2.0	-123.97	336.67	8.18	-115.79
COCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCO1	REAL300004953785	0	41	-2.0	-128.81	311.24	5.21	-123.60
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300004953786	0	41	-2.0	-135.68	337.59	8.35	-127.33
CC1(C)C2CCC1(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC2	REAL300004953787	0	46	-2.0	-122.93	324.33	8.40	-114.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC=C(C3CC3)C=C2)CC1	REAL300004953788	0	44	-2.0	-119.07	348.85	7.97	-111.10
COC1=CC(F)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(F)=C1	REAL300004953789	0	37	-2.0	-124.07	318.68	6.71	-117.36
CC1=CC=CC=C1C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCCCC1	REAL300004953790	0	55	-2.0	-122.85	405.85	12.05	-110.80
CN1C=CC(C(C)(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953792	0	42	-2.0	-131.27	324.88	6.70	-124.57
CC1=CN(C(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C1	REAL300004953793	0	39	-2.0	-123.10	315.41	6.52	-116.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CSC(C3=CC=CC=C3)=N2)CC1	REAL300004953794	0	41	-2.0	-124.31	347.31	7.36	-116.95
CCC1=NN(C)C(CC)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953795	0	45	-2.0	-124.97	360.59	7.54	-117.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(N3C=CN=N3)CC2)CC1	REAL300004953796	0	36	-2.0	-121.67	300.68	5.52	-116.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CCC(CC2)CC3)CC1	REAL300004953797	0	43	-2.0	-123.15	308.75	8.00	-115.15
COC1=CC=CC=C1C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NO1	REAL300004953798	0	43	-2.0	-124.28	352.10	8.38	-115.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=NC=NN3C=C2)CC1	REAL300004953799	0	35	-2.0	-121.81	299.54	7.80	-114.01
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(CC2=CC=CC=C2)=NO1	REAL300004953800	0	45	-2.0	-121.29	378.39	10.09	-111.20
COC1=CC(C)=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=C1	REAL300004953801	0	44	-2.0	-121.68	354.20	7.50	-114.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=C(Cl)C(F)=C3N2)CC1	REAL300004953802	0	37	-2.0	-121.41	326.27	8.21	-113.20
CN1N=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CN=C21	REAL300004953803	0	37	-2.0	-121.90	308.77	6.88	-115.02
CC1=C(Cl)C2=NC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2C=C1	REAL300004953804	0	41	-2.0	-120.57	347.68	8.78	-111.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCOC3(CCOCC3)C2)CC1	REAL300004953805	0	48	-2.0	-119.16	351.91	5.82	-113.34
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(SC=C3)S2)CC1	REAL300004953806	0	33	-2.0	-121.02	300.11	7.61	-113.41
CC1=CC=C(Cl)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953807	0	36	-2.0	-124.12	309.77	8.36	-115.76
COC1=NN2C(=NN=C2CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953808	0	44	-2.0	-127.07	368.51	5.79	-121.28
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953809	0	43	-2.0	-118.66	366.63	9.03	-109.63
CCC(CCOC)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953810	0	42	-2.0	-122.79	323.71	5.95	-116.84
COC1=CC(C)=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)OC2=C1	REAL300004953811	0	43	-2.0	-124.64	351.74	7.87	-116.77
CCC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC1=CC=CC=C1	REAL300004953812	0	48	-2.0	-122.96	365.35	10.64	-112.32
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=CS1	REAL300004953813	0	35	-2.0	-130.55	295.74	6.62	-123.93
CC(C)=CCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1O	REAL300004953814	0	47	-2.0	-122.72	372.99	7.88	-114.84
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2N1C	REAL300004953815	0	43	-2.0	-129.75	350.17	9.58	-120.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3SC=CN23)CC1	REAL300004953816	0	33	-2.0	-124.93	288.47	6.69	-118.24
CC1=NC=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953817	0	38	-2.0	-120.35	325.24	6.92	-113.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2N2C=CC(C3CC3)=N2)CC1	REAL300004953818	0	47	-2.0	-138.72	378.24	10.76	-127.96
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC2=CC=CC=C2C1	REAL300004953819	0	43	-2.0	-121.83	330.58	9.35	-112.48
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(F)C(Cl)=C1	REAL300004953820	0	39	-2.0	-120.92	334.36	9.17	-111.75
CC1=CC=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CC=C12	REAL300004953821	0	41	-2.0	-129.49	335.35	8.15	-121.34
CCCN1C=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953822	0	39	-2.0	-132.09	318.35	7.18	-124.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(F)C(OC(F)(F)F)=C2)CC1	REAL300004953823	0	37	-2.0	-117.44	325.05	7.06	-110.38
CCC(C)N1N=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953824	0	42	-2.0	-119.92	331.12	7.13	-112.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC3=CC=C(F)C=C32)CC1	REAL300004953825	0	38	-2.0	-128.68	313.85	7.55	-121.13
COC1=C(Br)C=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953826	0	37	-2.0	-122.66	327.86	7.59	-115.07
C[C@H](CC(F)(F)F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953827	0	35	-2.0	-117.70	288.96	6.64	-111.06
CC1=C(O)C=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004953828	0	40	-2.0	-123.47	318.51	5.64	-117.83
CCC(=O)N1CSC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953829	0	41	-2.0	-130.82	336.72	6.34	-124.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1	REAL300004953830	0	37	-2.0	-118.96	298.69	7.71	-111.25
CC(C)OC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1Cl	REAL300004953831	0	43	-2.0	-125.36	356.48	8.59	-116.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3C=C(C4=CC=CC=C4)NC3=C2)CC1	REAL300004953832	0	47	-2.0	-124.66	379.83	10.68	-113.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCCN2CC2=CC=CC(F)=C2)CC1	REAL300004953833	0	51	-2.0	-126.22	395.25	9.05	-117.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(CCCC3)O2)CC1	REAL300004953834	0	40	-2.0	-124.15	317.90	8.23	-115.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=CNN=C3)C=C2)CC1	REAL300004953835	0	40	-2.0	-126.02	328.87	7.14	-118.88
CC1=CC(F)=CC=C1C(O)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953836	0	40	-2.0	-120.14	327.74	5.60	-114.54
COCC1=NOC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953837	0	36	-2.0	-119.64	303.73	4.51	-115.13
N#CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC12CCOCC2	REAL300004953838	0	42	-2.0	-120.43	337.23	6.54	-113.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCO[C@H]2C2=CC=CN=C2)CC1	REAL300004953839	0	43	-2.0	-121.08	341.02	6.37	-114.71
COC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NC=CC=C2C=C1	REAL300004953840	0	42	-2.0	-141.47	347.23	7.19	-134.28
N#CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC12CCC2	REAL300004953841	0	38	-2.0	-120.57	315.10	7.93	-112.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C(F)(F)F)CC3(CCC3)C2)CC1	REAL300004953842	0	43	-2.0	-121.08	337.29	8.52	-112.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(F)(F)C2=CC=CN=C2)CC1	REAL300004953843	0	35	-2.0	-120.00	299.83	6.41	-113.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3(C2)CCOC3)CC1	REAL300004953844	0	41	-2.0	-121.15	319.70	6.32	-114.83
COCC1(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCOCC1	REAL300004953845	0	47	-2.0	-120.76	348.68	5.55	-115.21
CCC(O)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004953846	0	43	-2.0	-122.84	332.06	6.32	-116.52
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3CCCC3=N2)CC1	REAL300004953847	0	39	-2.0	-131.07	313.29	8.07	-123.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3=CC=CC=N3)C=C2)CC1	REAL300004953848	0	43	-2.0	-124.53	359.18	7.56	-116.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC3=C2CCCC3)CC1	REAL300004953849	0	40	-2.0	-123.48	318.42	8.01	-115.47
CC(C)(C)C1=NOC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953850	0	41	-2.0	-120.38	331.44	7.27	-113.11
CCC1(CC)CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004953851	0	45	-2.0	-121.13	337.34	8.71	-112.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(C=C2Cl)OCO3)CC1	REAL300004953852	0	36	-2.0	-121.24	308.82	6.23	-115.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC3=C(C(F)(F)F)C=CC=C23)CC1	REAL300004953853	0	41	-2.0	-119.89	346.11	8.36	-111.53
CC(C)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C2CCCCN21	REAL300004953854	0	49	-2.0	-133.01	374.49	8.90	-124.11
CC1=NC2=NC=NN2C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953855	0	37	-2.0	-124.37	315.20	8.76	-115.61
CC1(C)[C@@H]2C[C@@H](C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C[C@@H]21	REAL300004953856	0	43	-2.0	-121.50	320.15	8.49	-113.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=N2)CC1	REAL300004953857	0	39	-2.0	-126.81	320.34	7.71	-119.10
CC1=CC(C2CCC2)=NC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953858	0	45	-2.0	-121.21	352.75	8.42	-112.79
CC(=O)N1CSC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953859	0	38	-2.0	-129.79	312.41	6.57	-123.22
COC1=CC=CC2=C1CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CO2	REAL300004953860	0	45	-2.0	-121.84	355.86	7.25	-114.59
CC(C)[C@@H]1C[C@H](CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C21	REAL300004953861	0	52	-2.0	-121.73	392.78	11.61	-110.12
CC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=CC=C1F	REAL300004953862	0	40	-2.0	-117.99	329.72	8.31	-109.68
COC1=CC=NC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953863	0	36	-2.0	-125.99	293.09	5.49	-120.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3CCNC(=O)C3=C2)CC1	REAL300004953864	0	38	-2.0	-131.14	314.86	3.18	-127.96
CC1=CC2=NC=CN=C2C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953865	0	40	-2.0	-126.34	327.03	6.26	-120.08
CC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=CC=C1Cl	REAL300004953866	0	40	-2.0	-118.14	338.42	8.72	-109.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3=CC=C(F)C=C3)C(=O)CC2)CC1	REAL300004953867	0	44	-2.0	-123.05	367.44	8.38	-114.67
CC1=CC=C(N2N=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2=O)C=C1	REAL300004953868	0	47	-2.0	-123.75	384.39	8.85	-114.90
CC1=C(C)OC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953869	0	41	-2.0	-123.80	336.17	5.10	-118.70
COCCOCCN1C=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953870	0	47	-2.0	-131.41	386.01	5.70	-125.71
COCCOCCN1N=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953871	0	47	-2.0	-121.88	379.22	5.05	-116.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CCC3=CC=CC=C3)C=C2)CC1	REAL300004953872	0	49	-2.0	-123.97	397.18	12.44	-111.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3CCCC3=NNC2=O)CC1	REAL300004953873	0	39	-2.0	-129.72	321.91	4.75	-124.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=CSC=C3)N=C2)CC1	REAL300004953874	0	39	-2.0	-123.62	335.26	7.88	-115.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCC[C@H](C3CC3)O2)CC1	REAL300004953875	0	47	-2.0	-125.81	362.42	9.58	-116.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(CC2CCCCC2)C2=CC=CC=C2)CC1	REAL300004953876	0	55	-2.0	-120.75	411.53	12.28	-108.47
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)C1=CC=CC=C1Cl	REAL300004953877	0	45	-2.0	-121.83	363.45	10.15	-111.68
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CC3CCC3)C=C2)CC1	REAL300004953878	0	46	-2.0	-123.04	363.96	10.71	-112.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC3=CC=CN=C3C=C2)CC1	REAL300004953879	0	42	-2.0	-126.02	347.15	9.02	-117.00
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300004953880	0	50	-2.0	-126.55	371.97	6.96	-119.59
CC1(C)CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC(C)(C)O1	REAL300004953881	0	49	-2.0	-119.56	364.91	7.92	-111.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23OC4C5COCC4C2C53)CC1	REAL300004953882	0	41	-2.0	-126.60	317.78	5.59	-121.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCCO3)CCOCC2)CC1	REAL300004953883	0	48	-2.0	-129.44	333.31	6.46	-122.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C2=CC=CC=C2)CC1	REAL300004953884	0	50	-2.0	-125.72	363.81	10.88	-114.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC(O)=CC(Br)=C2)CC1	REAL300004953885	0	37	-2.0	-123.23	329.96	5.98	-117.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCCC2=CC=CC(O)=C2)CC1	REAL300004953886	0	46	-2.0	-122.48	372.56	7.69	-114.79
CC1=NC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)S1	REAL300004953887	0	35	-2.0	-123.07	304.34	6.19	-116.88
CCC1=NC=C(Cl)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953888	0	37	-2.0	-121.76	321.16	7.00	-114.76
CC1=CC2=C(C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N2)S1	REAL300004953889	1	37	-2.0	-119.16	314.76	7.49	-111.67
CC12CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)(C1)C(C)(C)O2	REAL300004953890	0	44	-2.0	-119.07	326.10	6.43	-112.64
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1C=NN=N1	REAL300004953891	0	37	-2.0	-135.04	289.86	5.45	-129.59
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CN=CN=C1	REAL300004953892	0	40	-2.0	-126.93	304.54	6.81	-120.12
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCCO3)CCCC2)CC1	REAL300004953893	0	47	-2.0	-121.03	343.43	7.41	-113.62
COCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC=CC1	REAL300004953894	0	41	-2.0	-123.50	311.85	6.33	-117.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC3=C2CSC3)CC1	REAL300004953895	0	35	-2.0	-120.88	301.16	6.95	-113.93
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953896	0	54	-2.0	-120.99	409.83	11.64	-109.35
CN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C1=CC=C(Cl)C=C1	REAL300004953897	0	43	-2.0	-128.74	365.18	9.30	-119.44
CC1=CC=C2OC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300004953898	0	39	-2.0	-124.51	323.06	8.37	-116.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3SCCCC3=C2)CC1	REAL300004953899	0	41	-2.0	-122.91	335.55	9.38	-113.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3SCCCCC3=C2)CC1	REAL300004953900	0	44	-2.0	-121.09	352.57	9.99	-111.10
CC(C)=CCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1F	REAL300004953901	0	46	-2.0	-119.56	369.40	10.53	-109.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(C=C(Cl)S3)N2)CC1	REAL300004953902	0	34	-2.0	-115.67	310.99	7.28	-108.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC(C3=CC=CN=C3)=N2)CC1	REAL300004953903	0	40	-2.0	-135.09	334.54	7.45	-127.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC3=CC=CC=C3N=C2)CC1	REAL300004953904	0	41	-2.0	-126.45	338.82	8.57	-117.88
CC1=CC=C2C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=COC2=C1	REAL300004953905	0	39	-2.0	-123.57	323.03	8.38	-115.19
CC(C)(C)C1=NN(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004953906	0	43	-2.0	-124.71	351.69	5.80	-118.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(C=CS3)N2CC2CC2)CC1	REAL300004953907	0	44	-2.0	-125.16	366.53	10.24	-114.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=CC=CC(Cl)=C3)C=C2)CC1	REAL300004953908	0	43	-2.0	-122.74	364.34	11.16	-111.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN(C3CC3(F)F)C=C2)CC1	REAL300004953909	0	37	-2.0	-136.14	318.59	7.32	-128.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2C3CC2(C2=CC=C(F)C=C2)CC3)CC1	REAL300004953910	0	47	-2.0	-124.49	363.82	11.07	-113.42
CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Br	REAL300004953911	0	39	-2.0	-120.10	332.86	9.08	-111.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(=O)NC(C3=CC=CC=C3)=C2)CC1	REAL300004953912	0	43	-2.0	-125.55	356.33	7.81	-117.74
COCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC=C1	REAL300004953913	0	37	-2.0	-122.83	306.45	5.27	-117.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC3=CC(F)=CC(F)=C23)CC1	REAL300004953914	0	36	-2.0	-122.64	312.71	7.81	-114.83
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CCCF)N=N2)CC1	REAL300004953915	0	38	-2.0	-132.87	320.78	5.87	-127.00
CCN1C=C(OC2=CN=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=N2)C=N1	REAL300004953916	0	45	-2.0	-128.38	372.98	5.93	-122.45
CN1N=CC2=C1SC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)=C2	REAL300004953917	0	36	-2.0	-121.43	307.83	6.08	-115.35
COC1=CC=CC=C1N1C=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953918	0	44	-2.0	-134.35	362.73	9.88	-124.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCOCC3)N=C2)CC1	REAL300004953919	0	45	-2.0	-118.30	354.92	5.73	-112.57
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(Br)=C1C	REAL300004953920	0	39	-2.0	-122.54	329.32	8.90	-113.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3C=CCC(C3)C2)CC1	REAL300004953921	0	44	-2.0	-120.93	326.11	8.95	-111.98
COC1=CN=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953922	0	36	-2.0	-121.63	297.25	4.68	-116.95
CC(C)CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C1=CC=CC=C1	REAL300004953923	0	52	-2.0	-132.13	408.79	11.19	-120.94
CC1CCN(C2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)CC1	REAL300004953924	0	51	-2.0	-122.29	385.19	9.01	-113.28
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953925	0	44	-2.0	-122.47	346.65	6.28	-116.19
COC1=CC=C(C(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1F	REAL300004953928	0	43	-2.0	-124.86	347.47	7.98	-116.88
COC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CC(F)(F)C1	REAL300004953929	0	40	-2.0	-122.26	318.68	6.89	-115.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2CCCOC2)CC1	REAL300004953930	0	41	-2.0	-122.17	325.19	5.87	-116.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COCC2=NC(C3CC3)=NO2)CC1	REAL300004953931	0	42	-2.0	-128.79	355.07	5.74	-123.05
CN1CCC2=CC(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300004953932	0	45	-2.0	-122.07	357.90	8.01	-114.06
CC(C)(C)C1(C)CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004953933	0	48	-2.0	-120.79	343.81	8.72	-112.07
CC1=CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C	REAL300004953934	0	42	-2.0	-124.52	340.85	7.13	-117.39
CCS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953935	0	44	-2.0	-125.44	369.75	4.64	-120.80
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300004953936	0	40	-2.0	-119.30	338.30	6.91	-112.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC=CC=C2C(F)(F)F)CC1	REAL300004953937	0	40	-2.0	-119.82	333.20	6.55	-113.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300004953938	0	37	-2.0	-119.98	331.35	6.88	-113.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2C(F)F)CC1	REAL300004953939	0	36	-2.0	-131.36	302.45	8.10	-123.26
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=CN=C3)=NO2)CC1	REAL300004953940	0	38	-2.0	-121.35	323.83	6.62	-114.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2CCCCCC2)CC1	REAL300004953941	0	46	-2.0	-121.11	334.86	6.60	-114.51
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1CC	REAL300004953942	0	42	-2.0	-125.04	337.49	7.02	-118.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC(F)=CC(F)=C2)CC1	REAL300004953943	0	37	-2.0	-118.24	312.95	6.04	-112.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC(C2=CC=CC=C2)C(F)F)CC1	REAL300004953944	0	42	-2.0	-119.81	341.35	9.61	-110.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3CCOCC3=C2)CC1	REAL300004953945	0	41	-2.0	-122.67	327.20	7.30	-115.37
CCOCC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004953946	0	39	-2.0	-131.35	334.84	5.77	-125.58
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=NN1C1CCOC1	REAL300004953947	0	43	-2.0	-133.60	343.10	4.89	-128.71
CC1=NN=C(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N1C	REAL300004953948	0	41	-2.0	-126.51	333.94	7.82	-118.69
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=NN=NN3C2)CC1	REAL300004953949	0	38	-2.0	-119.93	303.65	4.97	-114.96
CC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=CC(Cl)=C1	REAL300004953950	0	40	-2.0	-117.54	341.55	8.71	-108.83
CC1=C(C)NC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004953951	0	42	-2.0	-123.38	339.60	6.78	-116.60
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC(Cl)=CC=C3F)CCC2)CC1	REAL300004953952	0	43	-2.0	-123.76	354.21	9.88	-113.88
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC(F)=CC=C3F)CCC2)CC1	REAL300004953953	0	43	-2.0	-124.01	343.87	9.43	-114.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2N=NN=C2C2CC2)CC1	REAL300004953954	0	38	-2.0	-123.82	320.29	6.09	-117.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2(N3C=NN=N3)CCSCC2)CC1	REAL300004953955	0	45	-2.0	-122.01	351.57	7.71	-114.30
NC(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300004953956	0	37	-2.0	-122.52	319.85	4.47	-118.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=NC3=CC=CC=C3N=C2)CC1	REAL300004953957	0	41	-2.0	-127.08	345.26	7.41	-119.67
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953958	0	46	-2.0	-126.28	378.77	7.70	-118.58
CN1N=CC=C1C1=NNC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953959	0	40	-2.0	-123.66	328.68	4.53	-119.13
CC1=CC=C(C(=O)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004953960	0	38	-2.0	-119.56	320.59	7.82	-111.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(=O)C2=CC=C(Cl)C=C2)CC1	REAL300004953961	0	35	-2.0	-117.63	316.36	7.72	-109.91
CCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2C(=N1)ON=C2C(C)C	REAL300004953962	0	49	-2.0	-116.57	392.23	6.96	-109.61
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=NC=N2)CC1	REAL300004953963	0	35	-2.0	-123.37	298.37	6.95	-116.42
CC(C)C1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CO1	REAL300004953964	0	38	-2.0	-127.11	313.32	5.14	-121.97
CCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCOCC1	REAL300004953965	0	46	-2.0	-121.84	339.15	7.11	-114.73
CC(C)(C)OC1CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C12CCC2	REAL300004953966	0	56	-2.0	-123.74	419.33	10.09	-113.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC3=C(F)C=C(F)C=C23)CC1	REAL300004953967	0	36	-2.0	-118.27	314.49	7.81	-110.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC(CC(F)(F)F)=N2)CC1	REAL300004953968	0	35	-2.0	-130.85	319.81	6.90	-123.95
CCC1=CC=CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C21	REAL300004953969	0	44	-2.0	-134.59	352.58	9.89	-124.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3(C(F)(F)F)CC3)C=C2)CC1	REAL300004953970	0	43	-2.0	-122.54	358.83	10.06	-112.48
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCS(=O)(=O)CC1	REAL300004953971	0	42	-2.0	-125.23	318.34	3.70	-121.53
CC(F)(F)C1=CC=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953972	0	39	-2.0	-132.94	319.28	8.63	-124.31
C=CCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC=CC1	REAL300004953973	0	41	-2.0	-122.83	307.44	8.29	-114.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CON=C2C2CCC2)CC1	REAL300004953974	0	39	-2.0	-117.81	317.88	7.46	-110.35
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3=NC(C4CC4)=NS3)C=N2)CC1	REAL300004953975	0	42	-2.0	-127.86	366.95	10.60	-117.26
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(F)CC2CCCC2)CC1	REAL300004953976	0	42	-2.0	-118.45	326.83	8.58	-109.87
CC1(C)CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1C(F)(F)F	REAL300004953977	0	42	-2.0	-120.47	335.39	8.34	-112.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CC=C(F)C=C3)CCCC2)CC1	REAL300004953978	0	49	-2.0	-128.67	369.83	10.61	-118.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CCCC2CC(=O)CC3)CC1	REAL300004953979	0	45	-2.0	-121.36	324.27	7.44	-113.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCCO3)CC2)CC1	REAL300004953980	0	41	-2.0	-121.36	306.29	6.43	-114.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CC=C(F)C=C3)CCCCO2)CC1	REAL300004953981	0	50	-2.0	-124.78	377.85	10.13	-114.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3(C2)CCCO3)CC1	REAL300004953982	0	41	-2.0	-128.61	317.57	7.41	-121.20
C[C@@H](CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300004953983	0	45	-2.0	-120.45	371.21	10.47	-109.98
C[C@@H](CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C2OCOC2=C1	REAL300004953984	0	45	-2.0	-123.55	358.50	8.12	-115.43
COCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CCC1	REAL300004953985	0	41	-2.0	-122.78	316.12	6.11	-116.67
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C(F)(F)F)CCCCO2)CC1	REAL300004953986	0	40	-2.0	-121.00	310.85	6.56	-114.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCO[C@H]2C2=CC=C(F)C=C2)CC1	REAL300004953987	0	44	-2.0	-119.75	352.10	8.24	-111.51
CC1=NN(C(C)C)C(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004953988	0	45	-2.0	-123.92	363.42	7.78	-116.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CON=C2C2CCCO2)CC1	REAL300004953989	0	40	-2.0	-119.30	327.88	5.70	-113.60
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCCC3(CCC3)O2)CC1	REAL300004953990	0	47	-2.0	-124.75	355.99	8.91	-115.84
COC1C[C@@H]2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C[C@H]12	REAL300004953991	0	44	-2.0	-120.82	335.59	7.02	-113.80
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2COCCN2CC(F)(F)F)CC1	REAL300004953992	0	45	-2.0	-120.65	356.07	4.73	-115.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@H]2CCC3=CC=CC=C32)CC1	REAL300004953993	0	40	-2.0	-123.31	316.60	9.41	-113.90
CC1(C)C2CCC1(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC2	REAL300004953994	0	49	-2.0	-122.04	352.28	9.58	-112.46
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=C(C3CCOC3)C=N2)CC1	REAL300004953995	0	44	-2.0	-127.72	354.67	6.28	-121.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=CN=C3NC=C2)CC1	REAL300004953996	0	36	-2.0	-134.87	304.02	6.79	-128.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=CNC3=NC=C2)CC1	REAL300004953996	1	36	-2.0	-124.72	296.96	6.40	-118.32
CC1=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C2O1	REAL300004953997	0	39	-2.0	-126.20	324.30	8.43	-117.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3(CCC3)CC2)CC1	REAL300004953998	0	46	-2.0	-120.53	342.21	9.27	-111.26
CCC1=CC2=C(OCC2)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004953999	0	44	-2.0	-129.51	352.75	8.53	-120.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=CSC3=CC=C2)CC1	REAL300004954000	0	36	-2.0	-124.42	306.34	8.49	-115.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3C=C(Cl)C=N3)C=C2)CC1	REAL300004954001	0	43	-2.0	-127.45	373.00	9.34	-118.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C(F)(F)F)=CS2)CC1	REAL300004954002	0	33	-2.0	-118.25	303.00	7.25	-111.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(OCC3CC3)=C2)CC1	REAL300004954003	0	44	-2.0	-123.98	354.70	8.97	-115.01
CSC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(Cl)=C1	REAL300004954004	0	37	-2.0	-120.68	327.80	8.62	-112.06
CC(F)(F)C1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954005	0	39	-2.0	-121.63	326.02	8.71	-112.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3C=CSC3=C2)CC1	REAL300004954006	0	36	-2.0	-123.51	308.12	8.46	-115.05
CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=NN2C)=N1	REAL300004954007	0	43	-2.0	-124.59	353.04	5.79	-118.80
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=CO1	REAL300004954008	0	39	-2.0	-123.03	323.83	7.70	-115.33
CC1=NC=C2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2=N1	REAL300004954009	0	44	-2.0	-120.69	347.57	7.68	-113.01
CC1=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)(F)F)=CO1	REAL300004954010	0	39	-2.0	-124.72	337.46	7.95	-116.77
COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(C)=N1	REAL300004954011	0	39	-2.0	-121.38	321.55	4.53	-116.85
CC1=CN(CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2)N=C1	REAL300004954012	0	46	-2.0	-127.47	377.82	9.51	-117.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CCCC2CCC3)CC1	REAL300004954013	0	43	-2.0	-124.36	311.94	8.21	-116.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2OCCC[C@@H]2C2=CC=CC=C2)CC1	REAL300004954014	0	47	-2.0	-122.31	341.84	9.70	-112.61
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2OCCC[C@H]2C2=CC=CC=C2)CC1	REAL300004954015	0	47	-2.0	-122.59	353.75	8.89	-113.70
CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCNS1(=O)=O	REAL300004954016	0	41	-2.0	-134.94	315.28	1.92	-133.02
CCC1=NC=C2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2=N1	REAL300004954017	0	47	-2.0	-120.70	369.05	8.29	-112.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C(Br)S2)CC1	REAL300004954018	0	36	-2.0	-119.87	330.94	8.85	-111.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2COCCO2)CC1	REAL300004954019	0	38	-2.0	-123.32	302.14	5.10	-118.22
COCCC(C)(C)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954020	0	45	-2.0	-121.18	338.72	6.68	-114.50
CC(C)(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)(F)F	REAL300004954021	0	41	-2.0	-120.60	314.57	7.69	-112.91
CC1=CC2=C(C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N2CC2CC2)S1	REAL300004954022	1	47	-2.0	-125.47	387.12	11.06	-114.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC=CBr)CC1	REAL300004954023	0	33	-2.0	-119.85	293.41	7.28	-112.57
CN1C=CC(C23CC(CC2)C3C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004954024	0	47	-2.0	-130.76	366.08	8.65	-122.11
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C)C=N1	REAL300004954025	0	38	-2.0	-118.92	308.90	6.58	-112.34
CC1=CC(F)=CC(C(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954026	0	42	-2.0	-120.01	340.37	9.25	-110.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC(C2=CC=CC=C2F)C(F)F)CC1	REAL300004954027	0	42	-2.0	-122.47	346.27	9.59	-112.88
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=CC=NN32)CC1	REAL300004954028	0	40	-2.0	-130.29	310.34	7.24	-123.05
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954029	0	39	-2.0	-122.55	333.07	6.64	-115.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(C3CC3(F)F)=C2)CC1	REAL300004954030	0	40	-2.0	-126.46	332.65	9.38	-117.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3CCCC3=C2)CC1	REAL300004954031	0	39	-2.0	-121.77	313.85	7.32	-114.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)COC2=CC=CC=C2C(F)F)CC1	REAL300004954032	0	40	-2.0	-129.67	339.13	9.10	-120.57
CCOC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)SC2=NC=C1	REAL300004954033	0	42	-2.0	-126.37	355.79	6.90	-119.47
CC1(C)CCOC1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954034	0	43	-2.0	-124.68	329.41	7.01	-117.67
CC1=NC(C2CC2)=NC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954035	0	41	-2.0	-118.50	334.40	7.39	-111.11
CCC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=N1	REAL300004954036	0	40	-2.0	-116.59	323.84	6.26	-110.33
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954037	0	48	-2.0	-117.55	376.23	6.38	-111.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3CC2C2C3C2(F)F)CC1	REAL300004954038	0	41	-2.0	-121.61	316.63	8.59	-113.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2C3CC2(C2=CN=CS2)CC3)CC1	REAL300004954039	0	43	-2.0	-124.09	347.75	8.17	-115.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3(CC2)COCCO3)CC1	REAL300004954040	0	48	-2.0	-121.41	352.10	6.37	-115.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=CS2)CC3)CC1	REAL300004954041	0	44	-2.0	-124.96	352.91	9.99	-114.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3CCNS(=O)(=O)C3=C2)CC1	REAL300004954042	0	39	-2.0	-133.83	331.46	0.93	-132.90
CC1=NN(C2=CC=CC=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004954043	0	43	-2.0	-136.56	348.48	9.27	-127.29
CC1=NC=NC(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954044	0	37	-2.0	-117.69	306.75	6.41	-111.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=C(F)C=CC=C3Cl)CCC2)CC1	REAL300004954045	0	43	-2.0	-124.81	345.28	9.68	-115.13
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954046	0	47	-2.0	-126.81	361.12	8.34	-118.47
CC12CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)(C1)C1(CCC1)O2	REAL300004954047	0	45	-2.0	-119.68	335.95	7.21	-112.47
CC12CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)(C1)C1(CCOCC1)O2	REAL300004954048	0	49	-2.0	-120.99	357.24	5.87	-115.12
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)CC1	REAL300004954049	0	40	-2.0	-121.82	315.34	8.36	-113.46
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NC(C)=N1	REAL300004954050	0	37	-2.0	-125.34	305.85	6.63	-118.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC3=CC=C(F)C=C32)CC1	REAL300004954051	0	36	-2.0	-128.77	305.52	6.53	-122.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=C(F)C=CC3=NN2)CC1	REAL300004954051	1	36	-2.0	-117.91	304.49	6.29	-111.62
CC1=COC(C(C)C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954052	0	42	-2.0	-123.63	343.88	8.28	-115.35
COC1=CC=C(C23CC(CC2)C3C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004954053	0	51	-2.0	-125.53	386.91	10.30	-115.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCOCC3)CCOCC2)CC1	REAL300004954054	0	51	-2.0	-122.75	355.99	5.58	-117.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2C2CC2(F)F)CC1	REAL300004954055	0	40	-2.0	-123.32	330.41	9.33	-113.99
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=NN2C2CC2)CC1	REAL300004954056	0	36	-2.0	-117.56	296.62	5.13	-112.43
CCC1=NN(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1Cl	REAL300004954057	0	39	-2.0	-116.69	339.17	6.87	-109.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CSC2=CC=CC(F)=C2)CC1	REAL300004954058	0	37	-2.0	-119.01	322.07	8.76	-110.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(C=C(Br)O3)N2)CC1	REAL300004954059	0	34	-2.0	-116.80	305.79	6.47	-110.33
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954060	0	44	-2.0	-117.48	358.57	8.01	-109.47
CCC1=NC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=N1	REAL300004954061	0	43	-2.0	-116.96	349.56	6.94	-110.02
CC(C)C1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)(F)F)=CO1	REAL300004954062	0	42	-2.0	-125.90	359.88	8.57	-117.33
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)(F)F)=CO1	REAL300004954063	0	39	-2.0	-125.40	340.94	8.03	-117.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3CC3)=NNC2=O)CC1	REAL300004954064	0	39	-2.0	-127.92	328.66	5.16	-122.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCCCO3)CC2)CC1	REAL300004954065	0	44	-2.0	-120.39	335.78	7.75	-112.64
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CC=C(F)C=C3)CCCO2)CC1	REAL300004954066	0	47	-2.0	-125.80	366.81	9.67	-116.13
CC1=CC(C)=C2NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC2=C1	REAL300004954067	0	43	-2.0	-120.88	346.29	8.97	-111.91
CC1=NC2=C(NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)S1	REAL300004954068	0	36	-2.0	-120.23	310.64	5.59	-114.64
CC1(C)OCC2=C1NN=C2C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954069	0	41	-2.0	-126.58	330.32	4.80	-121.78
CC1(C)OCC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NN=C21	REAL300004954069	1	41	-2.0	-116.95	333.85	4.39	-112.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CN=CC=N2)CC1	REAL300004954070	0	35	-2.0	-123.65	298.23	5.28	-118.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3CCOCC3)=NN2)CC1	REAL300004954071	0	44	-2.0	-116.67	345.68	5.37	-111.30
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3CCCC3)N=C2)CC1	REAL300004954072	0	43	-2.0	-122.24	337.46	7.50	-114.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC3=C2CC(F)(F)CC3)CC1	REAL300004954073	0	39	-2.0	-126.35	321.83	7.81	-118.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCN2C=CC3=CC=CN=C32)CC1	REAL300004954074	0	42	-2.0	-125.22	346.76	9.39	-115.83
CCCC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004954075	0	38	-2.0	-131.16	322.06	7.23	-123.93
CC1=NN(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1Cl	REAL300004954076	0	36	-2.0	-116.71	317.68	6.14	-110.57
CC(C)(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N1	REAL300004954077	0	43	-2.0	-121.19	338.76	7.88	-113.31
COC1=CC=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=N1	REAL300004954078	0	40	-2.0	-121.56	330.92	5.33	-116.23
COC1=CC=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=C2N1	REAL300004954078	1	40	-2.0	-142.93	329.71	6.19	-136.74
CC(C)(C)C1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CN1	REAL300004954079	0	42	-2.0	-133.94	335.36	7.20	-126.74
CC(C)(C)C1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N1	REAL300004954079	1	42	-2.0	-116.95	333.51	6.87	-110.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC3=CC=CC=C32)CC1	REAL300004954080	0	40	-2.0	-123.95	318.89	9.16	-114.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3CCOC3=C2)CC1	REAL300004954081	0	38	-2.0	-124.06	308.72	7.03	-117.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2C[C@@H]3COC[C@H]23)CC1	REAL300004954082	0	41	-2.0	-123.24	319.25	6.57	-116.67
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954083	0	46	-2.0	-120.40	372.72	10.85	-109.55
COC1=CC=C(C(C)=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004954084	0	44	-2.0	-121.83	355.25	8.76	-113.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CSC2=CC=CC(Cl)=C2)CC1	REAL300004954085	0	37	-2.0	-118.74	332.39	9.20	-109.54
COCC1=CN=C(OC)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954086	0	43	-2.0	-124.80	350.01	4.51	-120.29
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2N=NC(C3CC3)=N2)CC1	REAL300004954087	0	38	-2.0	-123.37	320.87	5.69	-117.68
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3OC=CC3=CC=C2Cl)CC1	REAL300004954088	0	36	-2.0	-129.29	320.72	8.16	-121.13
CC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(C2=CC=C(F)C=C2)S1	REAL300004954089	0	42	-2.0	-128.29	369.26	9.01	-119.28
COC1=CC2=C(OCC2)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954090	0	42	-2.0	-127.42	339.37	6.38	-121.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])CC1	REAL300004954091	0	33	-3.0	-186.73	314.23	6.57	-180.16
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=CC=C(F)C=C12	REAL300004954092	0	40	-2.0	-118.89	330.24	8.34	-110.55
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954093	0	40	-2.0	-123.00	328.29	8.98	-114.02
C[C@H](C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C2OCOC2=C1	REAL300004954094	0	42	-2.0	-123.68	338.20	7.19	-116.49
CS(=O)(=O)N1CCC(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004954095	0	48	-2.0	-126.65	388.45	4.65	-122.00
CC1=CN(C2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)N=C1	REAL300004954096	0	43	-2.0	-134.09	353.17	9.06	-125.03
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954097	0	42	-2.0	-119.09	344.05	9.29	-109.80
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=CC(F)=CC=C32)CC1	REAL300004954098	0	39	-2.0	-123.91	324.89	9.55	-114.36
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3OC=CC3=C2)CC1	REAL300004954099	0	35	-2.0	-123.79	294.43	4.37	-119.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CSC(Br)=C2)CC1	REAL300004954100	0	36	-2.0	-118.41	330.19	8.65	-109.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NN2C2CC2(F)F)CC1	REAL300004954101	0	37	-2.0	-123.44	314.61	6.85	-116.59
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C(CC2=CC=CC=C2)N1	REAL300004954102	0	50	-2.0	-130.86	402.61	10.81	-120.05
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004954103	0	46	-2.0	-123.11	354.45	7.60	-115.51
CCC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1CCC1	REAL300004954104	0	45	-2.0	-119.85	336.90	9.06	-110.79
CCOC1=CC=C2NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C(C)C2=C1	REAL300004954105	0	47	-2.0	-121.47	375.22	8.48	-112.99
CCC1=CC=C2NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C(C)C2=C1	REAL300004954106	0	46	-2.0	-121.47	366.68	9.71	-111.76
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=CC(C)=CC(C)=C21	REAL300004954107	0	46	-2.0	-121.64	365.40	8.91	-112.73
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=CC=C(C(C)C)C=C21	REAL300004954108	0	49	-2.0	-121.27	383.86	10.18	-111.09
COC1=CC=CC(Br)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954109	0	37	-2.0	-128.91	326.49	7.24	-121.67
CC1=CC(CC2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2)=CC=C1F	REAL300004954110	0	46	-2.0	-128.76	366.51	10.80	-117.96
CC1=CC(F)=CC=C1CC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004954111	0	46	-2.0	-124.35	361.60	10.93	-113.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC[C@@H]2C2=CC=C(F)C=C2)CC1	REAL300004954112	0	46	-2.0	-126.05	352.86	10.38	-115.67
CC12CC3(C)CC(O)(C1)CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)(C2)C3	REAL300004954113	0	54	-2.0	-128.00	380.37	6.53	-121.47
CC1=NC=CC=C1C=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954114	0	39	-2.0	-123.06	319.19	7.47	-115.59
CC1=CN=CC=C1C=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954115	0	39	-2.0	-122.54	319.33	7.49	-115.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=NC3=CC=CC=C23)CC1	REAL300004954116	0	42	-2.0	-124.60	345.22	9.03	-115.57
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954117	0	40	-2.0	-123.00	328.29	8.98	-114.02
CC(=CC1=CC=CS1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954118	0	37	-2.0	-122.90	303.59	7.91	-114.99
NS(=O)(=O)C1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004954119	0	44	-2.0	-128.13	352.80	2.60	-125.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=CC=C3F)=NO2)CC1	REAL300004954120	0	39	-2.0	-126.22	333.35	8.52	-117.70
COC1=CSC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1OC	REAL300004954121	0	38	-2.0	-122.64	325.94	5.21	-117.43
CSC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300004954122	0	40	-2.0	-123.61	353.04	9.71	-113.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3CCC(C3)C2)CC1	REAL300004954123	0	43	-2.0	-126.52	301.22	8.07	-118.45
CC1=CC2=NC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C=C1	REAL300004954124	0	41	-2.0	-124.03	335.47	8.13	-115.90
COC1=C(F)C=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1F	REAL300004954125	0	37	-2.0	-121.67	319.14	6.76	-114.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC(C3=COC=C3)=C2)CC1	REAL300004954126	0	39	-2.0	-121.83	326.87	7.00	-114.83
CC1=CC=C(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004954127	0	38	-2.0	-127.90	312.89	6.76	-121.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@H](N3C=CN=N3)C2)CC1	REAL300004954128	0	39	-2.0	-122.29	314.70	5.80	-116.49
CCCC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004954129	0	45	-2.0	-122.53	362.03	10.44	-112.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=CC=C3F)=NN2)CC1	REAL300004954130	0	40	-2.0	-122.26	335.81	7.75	-114.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC(C3=CC=CC=C3F)=C2)CC1	REAL300004954130	1	40	-2.0	-129.75	339.31	7.81	-121.94
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)C1=CC=C(F)C=C1	REAL300004954131	0	45	-2.0	-118.99	357.75	9.77	-109.22
C=CC1(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCOCC1	REAL300004954132	0	44	-2.0	-121.27	325.75	6.66	-114.61
CCCCC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CS1	REAL300004954133	0	41	-2.0	-130.02	343.80	8.06	-121.96
CN1C=CC(N2C=NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)=N1	REAL300004954134	0	40	-2.0	-137.40	337.17	9.33	-128.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=CNC3=CN=C2)CC1	REAL300004954135	0	36	-2.0	-129.84	299.74	5.39	-124.45
CC(=CC1=CC=C(F)C=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954136	0	40	-2.0	-121.11	323.44	8.96	-112.15
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=CC=C(C(F)(F)F)C=C12	REAL300004954137	0	43	-2.0	-118.62	362.79	9.27	-109.35
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=C(C)C=CC=C12	REAL300004954138	0	43	-2.0	-121.60	349.72	8.40	-113.20
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C(C2=CC=CC=C2)N1	REAL300004954139	0	44	-2.0	-128.31	356.52	9.28	-119.03
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C(C2=CC=CC=C2)N1	REAL300004954140	0	47	-2.0	-128.89	377.06	10.02	-118.87
CCCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N1	REAL300004954141	0	40	-2.0	-120.94	324.61	7.50	-113.44
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC=C2CC(F)(F)F)CC1	REAL300004954142	0	39	-2.0	-127.01	326.86	8.77	-118.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CCOC2CCOC3)CC1	REAL300004954143	0	42	-2.0	-125.91	310.38	4.11	-121.80
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(C2CC2)C2CCCO2)CC1	REAL300004954144	0	44	-2.0	-123.97	336.30	8.38	-115.59
CCC1=CN2C(=N1)C=CC=C2C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954145	0	42	-2.0	-121.32	346.66	8.97	-112.35
CC1(C)CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC(C)(C)O1	REAL300004954146	0	52	-2.0	-121.05	383.66	8.76	-112.29
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCN3C=NC=C3C2)CC1	REAL300004954147	0	43	-2.0	-127.94	336.27	9.14	-118.80
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCCCN2C=NN=N2)CC1	REAL300004954148	0	43	-2.0	-130.85	352.57	7.70	-123.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(CC(F)(F)F)C2=CC=CC=C2)CC1	REAL300004954149	0	42	-2.0	-123.11	349.43	9.67	-113.44
CN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC(F)=CC=C21	REAL300004954150	0	39	-2.0	-131.61	327.96	7.82	-123.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC3=C2CS(=O)(=O)C3)CC1	REAL300004954151	0	37	-2.0	-128.53	320.21	3.25	-125.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3CCOC3)C=C2)CC1	REAL300004954152	0	44	-2.0	-123.34	347.16	7.84	-115.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC3=C2CCCC3)CC1	REAL300004954153	0	42	-2.0	-123.86	322.68	7.64	-116.22
CC1=CC=CN2N=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C12	REAL300004954154	0	39	-2.0	-128.67	316.69	7.46	-121.21
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC(C3=CC=CC=C3F)=C2)CC1	REAL300004954155	0	42	-2.0	-124.81	352.78	8.96	-115.85
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=CC(C)=CC=C21	REAL300004954156	0	43	-2.0	-121.47	350.42	8.42	-113.05
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300004954157	0	42	-2.0	-118.39	351.92	8.94	-109.45
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=CC(Cl)=CC=C12	REAL300004954158	0	40	-2.0	-118.85	345.76	8.27	-110.58
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=CC(F)=CC=C12	REAL300004954159	0	40	-2.0	-119.04	335.46	7.84	-111.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=CN=NN32)CC1	REAL300004954160	0	35	-2.0	-134.94	298.70	5.76	-129.18
CC1=C2N=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CN2N=C1	REAL300004954161	0	38	-2.0	-127.11	317.54	7.60	-119.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3SN=CC3=CC=C2)CC1	REAL300004954162	0	35	-2.0	-128.09	300.26	7.25	-120.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3SC=CC3=C(F)C=C2)CC1	REAL300004954163	0	36	-2.0	-121.83	316.77	8.63	-113.20
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C1=CC=CC=C1	REAL300004954164	0	46	-2.0	-124.87	369.32	11.29	-113.58
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954165	0	46	-2.0	-127.46	367.48	11.24	-116.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC3=C(Br)C=CC=C23)CC1	REAL300004954166	0	36	-2.0	-121.23	322.96	8.32	-112.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC3=C2C[C@H]2C[C@@H]32)CC1	REAL300004954167	0	38	-2.0	-129.47	308.29	6.84	-122.63
COC1=CC(OC)=C(Cl)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954168	0	41	-2.0	-126.51	346.57	6.35	-120.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=C2N=CS3)CC1	REAL300004954169	0	39	-2.0	-129.33	314.11	7.81	-121.52
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(N3C=NC=N3)CC2)CC1	REAL300004954170	0	36	-2.0	-120.78	301.79	8.29	-112.49
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2C3C=CC(C3)C2C2=CC=CC=C2)CC1	REAL300004954171	0	48	-2.0	-122.28	361.85	10.92	-111.36
CC1=CC=CN=C1C=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954172	0	39	-2.0	-126.61	321.49	7.72	-118.89
CCC1=CSC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954173	0	36	-2.0	-123.31	303.98	7.66	-115.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CC3=CC=CC=C3)C=N2)CC1	REAL300004954174	0	45	-2.0	-131.10	370.16	10.72	-120.38
CC1=CC(C)=NC(N2CCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2)=N1	REAL300004954175	0	52	-2.0	-125.60	404.04	9.41	-116.19
COC1=CC=C2NN=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=C1	REAL300004954176	0	40	-2.0	-132.69	328.49	5.76	-126.93
COC1=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NN=C2C=C1	REAL300004954176	1	40	-2.0	-123.03	327.32	5.52	-117.51
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300004954177	0	38	-2.0	-132.36	319.23	9.39	-122.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C(F)(F)F)S2)CC1	REAL300004954178	0	32	-2.0	-113.94	298.51	5.49	-108.45
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NNC1=O	REAL300004954179	0	35	-2.0	-120.87	292.46	3.88	-116.99
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=CC=CN3N=N2)CC1	REAL300004954180	0	35	-2.0	-137.73	293.75	6.16	-131.57
COC1=CC=C2NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C(C)C2=C1	REAL300004954181	0	44	-2.0	-121.57	353.36	7.56	-114.01
CC1CCC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1C	REAL300004954182	0	48	-2.0	-121.36	355.51	9.60	-111.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC=CC3=NC=CC=C32)CC1	REAL300004954183	0	37	-2.0	-124.91	312.03	5.83	-119.08
CC(C)(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C([N+](=O)[O-])=C1	REAL300004954184	0	47	-2.0	-130.29	373.92	11.01	-119.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(F)(F)CCN2C=CN=N2)CC1	REAL300004954185	0	38	-2.0	-123.21	323.24	5.76	-117.45
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954186	0	39	-2.0	-117.68	325.42	8.61	-109.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(F)(F)CCN2C=CC=N2)CC1	REAL300004954187	0	39	-2.0	-120.90	329.42	6.99	-113.91
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CSC3=CN=CN32)CC1	REAL300004954188	0	33	-2.0	-119.25	294.10	7.60	-111.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(CN3CCOCC3)C=CO2)CC1	REAL300004954189	0	46	-2.0	-124.26	369.34	4.66	-119.60
CC1=NN=NN1C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004954190	0	44	-2.0	-123.01	359.17	7.86	-115.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCN2C2=CN=CC=N2)CC1	REAL300004954191	0	43	-2.0	-128.71	342.11	4.83	-123.88
CC1=CC=C(C=CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004954192	0	43	-2.0	-123.44	350.08	10.21	-113.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=CC=C2)CC1	REAL300004954193	0	37	-2.0	-122.12	306.01	8.65	-113.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=CN=C3)N=N2)CC1	REAL300004954194	0	38	-2.0	-129.68	322.01	5.69	-123.99
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=NN1CC1=CC=NC=C1	REAL300004954195	0	44	-2.0	-132.94	360.23	6.59	-126.35
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=C(Br)SC=C2)CC1	REAL300004954196	0	36	-2.0	-121.17	328.06	8.59	-112.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(CC2=CC=CC=C2)C2CCCCC2)CC1	REAL300004954197	0	55	-2.0	-124.71	399.28	12.23	-112.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(CC(F)(F)F)C=N2)CC1	REAL300004954198	0	36	-2.0	-135.58	316.21	8.64	-126.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC3=C(Cl)C=CC=C23)CC1	REAL300004954199	0	38	-2.0	-122.01	327.25	8.02	-113.99
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954200	0	47	-2.0	-127.40	367.97	10.71	-116.69
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954201	0	47	-2.0	-128.21	368.46	10.75	-117.46
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954202	0	47	-2.0	-122.82	389.38	8.96	-113.86
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(O)CCCCCC2)CC1	REAL300004954203	0	43	-2.0	-116.83	306.30	5.25	-111.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2[C@H]3C[C@]2(C2=CC=C(Cl)C=C2)CC3)CC1	REAL300004954204	0	47	-2.0	-124.48	380.02	11.41	-113.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(=O)C2=CC(Cl)=CC(Cl)=C2)CC1	REAL300004954205	0	35	-2.0	-117.19	324.39	8.24	-108.95
NS(=O)(=O)C1=CSC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954206	0	35	-2.0	-124.73	318.63	1.12	-123.61
CC(C)(C)C1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004954207	0	41	-2.0	-120.66	332.93	4.93	-115.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3C(=O)NC=CC3=C2)CC1	REAL300004954208	0	38	-2.0	-126.36	319.63	4.63	-121.73
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(F)C(F)=C1	REAL300004954209	0	42	-2.0	-122.35	328.34	8.83	-113.52
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954210	0	46	-2.0	-119.92	359.34	9.47	-110.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC=C3C2)CC1	REAL300004954211	0	38	-2.0	-124.97	307.77	9.01	-115.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2Br)CC1	REAL300004954212	0	40	-2.0	-123.11	342.57	9.97	-113.14
COC1=CC=CC=C1N1N=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954213	0	44	-2.0	-125.64	356.83	7.81	-117.83
COCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC=CCC1	REAL300004954214	0	44	-2.0	-124.79	329.88	6.70	-118.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCOCC23CCCCC3)CC1	REAL300004954215	0	50	-2.0	-123.64	346.45	7.61	-116.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C(F)(F)F)CC3CCC2CC3)CC1	REAL300004954216	0	46	-2.0	-121.86	330.87	8.60	-113.26
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=CC=C2F)=NO1	REAL300004954217	0	42	-2.0	-121.28	355.70	9.22	-112.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=CC=C3)CCOC2)CC1	REAL300004954218	0	44	-2.0	-127.09	333.18	7.79	-119.30
CC1=CC=C(C2CCCCC2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004954219	0	52	-2.0	-125.90	382.46	11.51	-114.39
CCC1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCCC2=CC=CC=C21	REAL300004954220	0	49	-2.0	-123.52	355.26	9.97	-113.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CC3)CCCO2)CC1	REAL300004954221	0	41	-2.0	-121.79	313.63	7.47	-114.32
CCC(C)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(=O)N1	REAL300004954222	0	45	-2.0	-137.31	356.66	6.82	-130.49
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954223	0	55	-2.0	-122.19	416.71	11.52	-110.67
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954224	0	43	-2.0	-120.39	357.27	9.71	-110.68
CC1=CC=C(OC(C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1	REAL300004954225	0	46	-2.0	-120.71	361.43	9.81	-110.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=CC(Cl)=CC=C32)CC1	REAL300004954226	0	39	-2.0	-124.19	335.19	9.98	-114.21
CC(C)CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1	REAL300004954227	0	48	-2.0	-121.73	370.62	10.55	-111.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCN3N=CN=C3C2)CC1	REAL300004954228	0	39	-2.0	-121.85	312.93	7.42	-114.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC(C3=CC=C(F)C=C3)=C2)CC1	REAL300004954229	0	42	-2.0	-122.14	348.52	8.91	-113.23
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=C(C2=NNC=N2)S1	REAL300004954230	0	38	-2.0	-137.08	332.33	6.75	-130.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(CC3=CC=CC=C3)=CN2)CC1	REAL300004954231	0	44	-2.0	-121.76	359.39	9.94	-111.82
C=CCCC(CC(C)C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954232	0	48	-2.0	-121.25	362.71	9.70	-111.55
C=CCC(CC(C)C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954233	0	45	-2.0	-120.70	342.18	8.75	-111.95
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3NC(C4=CC=CC=C4)=NC3=C2)CC1	REAL300004954234	0	46	-2.0	-128.46	377.36	9.74	-118.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=CSC=C3)C=C2)CC1	REAL300004954235	0	40	-2.0	-123.06	338.48	9.64	-113.42
CC(C)COC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)C	REAL300004954236	0	48	-2.0	-120.52	365.80	8.77	-111.75
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3=CC(Br)=CN=C3C2)CC1	REAL300004954237	0	39	-2.0	-121.24	332.51	7.91	-113.33
CC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CC2=NN1	REAL300004954238	0	38	-2.0	-133.55	315.91	5.59	-127.96
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(CC2=CC=CC=C2)C2=CC=C(F)C=C2)CC1	REAL300004954239	0	49	-2.0	-120.68	394.26	12.00	-108.68
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954240	0	49	-2.0	-119.72	393.08	10.98	-108.74
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954241	0	51	-2.0	-122.38	377.87	10.91	-111.47
CC1=CC2=CC=CN=C2C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954242	0	41	-2.0	-133.16	330.87	8.45	-124.71
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3N=CC=CN23)CC1	REAL300004954243	0	35	-2.0	-127.42	290.94	8.00	-119.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC(Br)=CS2)CC1	REAL300004954244	0	33	-2.0	-120.58	309.34	7.95	-112.63
CC1OC2(C)CC1(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C2	REAL300004954245	0	41	-2.0	-120.53	316.48	6.00	-114.53
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23COC(C=CC2)C3)CC1	REAL300004954246	0	39	-2.0	-120.29	296.25	5.74	-114.55
CN1C=C(C2=CC=CC=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004954247	0	43	-2.0	-132.84	349.84	8.34	-124.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3CCC3)ON=C2)CC1	REAL300004954248	0	39	-2.0	-118.49	318.03	7.62	-110.87
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300004954249	0	41	-2.0	-124.87	336.31	8.15	-116.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(C3=CC=CC=C3)S2)CC1	REAL300004954250	0	44	-2.0	-125.87	374.23	11.44	-114.43
COCCN1C=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C21	REAL300004954251	0	47	-2.0	-129.14	384.41	8.96	-120.18
C[C@@H](C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300004954252	0	39	-2.0	-119.77	316.75	8.62	-111.15
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@@H](C3=CC=CC=C3)C2)CC1	REAL300004954253	0	43	-2.0	-122.19	340.34	9.90	-112.29
CCC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC(F)(F)F	REAL300004954254	0	41	-2.0	-120.73	323.27	8.01	-112.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23COC(C2)CCC3)CC1	REAL300004954255	0	41	-2.0	-119.52	300.31	5.77	-113.75
CC12CCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)(CO1)C2	REAL300004954256	0	41	-2.0	-120.67	311.58	5.93	-114.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(CC2=CC=C(F)C=C2)C2=CC=CC=C2)CC1	REAL300004954257	0	49	-2.0	-120.67	394.18	12.01	-108.66
CC(C)N1C=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C21	REAL300004954258	0	46	-2.0	-129.01	364.03	10.21	-118.80
CN(C)C1=CC=C(Br)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954259	0	41	-2.0	-124.32	343.72	8.20	-116.12
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3CC(F)CC3=C2)CC1	REAL300004954260	0	37	-2.0	-129.49	306.05	6.52	-122.97
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CCN(CCC2)S3(=O)=O)CC1	REAL300004954261	0	42	-2.0	-127.20	324.11	3.41	-123.79
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=CC(F)=CC(F)=C12	REAL300004954262	0	40	-2.0	-117.75	340.75	7.89	-109.86
CC1=CC2=C(C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N2)O1	REAL300004954263	0	37	-2.0	-120.93	306.01	6.57	-114.36
CC(C)C1=CNC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NC2=C1	REAL300004954264	0	45	-2.0	-150.02	359.99	8.08	-141.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3C(=C2)CCCS3(=O)=O)CC1	REAL300004954266	0	43	-2.0	-133.04	354.09	5.73	-127.31
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CC2=CC=CC=C21	REAL300004954267	0	42	-2.0	-125.00	334.18	9.96	-115.04
COC1=CC=CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004954268	0	42	-2.0	-121.82	344.94	5.73	-116.09
CC1=CC=CC([C@@H](C)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954269	0	42	-2.0	-121.65	331.76	9.22	-112.43
COC1=CC(C)=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004954270	0	39	-2.0	-119.07	319.34	4.40	-114.67
CN1C(C(=O)N2CCC(C(=O)[O-])(C(=O)O)CC2)=CC2=C1C=CS2	REAL300004954271	0	37	-2.0	-123.33	311.26	7.79	-115.54
CN1C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC2=C1C=CS2	REAL300004954271	1	37	-2.0	-123.33	311.26	7.79	-115.54
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C1CCC1	REAL300004954272	0	43	-2.0	-124.58	342.47	7.68	-116.90
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3CCCCC3=CN2)CC1	REAL300004954273	0	41	-2.0	-123.73	325.29	7.54	-116.19
COCCOCC=CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954274	0	41	-2.0	-124.02	338.49	5.02	-119.00
CN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=C1CCOC2	REAL300004954275	0	41	-2.0	-132.08	327.65	5.55	-126.53
CCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1C=NC=N1	REAL300004954276	0	38	-2.0	-117.56	307.80	7.94	-109.62
CC1=NN(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=C1C	REAL300004954277	0	42	-2.0	-125.74	339.20	7.20	-118.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C(Cl)C=C3F)CC2)CC1	REAL300004954278	0	40	-2.0	-123.93	344.02	9.60	-114.33
CC1=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC=C1	REAL300004954279	0	36	-2.0	-121.87	306.25	7.89	-113.98
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC(C(F)(F)F)=CO2)CC1	REAL300004954280	0	36	-2.0	-122.78	319.21	7.43	-115.35
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2)CC1	REAL300004954281	0	46	-2.0	-136.30	385.83	6.74	-129.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN3N=CC=C3C=C2)CC1	REAL300004954282	0	36	-2.0	-122.09	299.23	6.95	-115.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=NN=CN32)CC1	REAL300004954283	0	39	-2.0	-122.55	310.89	8.01	-114.54
CC1(C)CCCC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004954284	0	46	-2.0	-125.02	346.49	8.28	-116.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CN2C=CC3=CC(F)=CC=C32)CC1	REAL300004954285	0	40	-2.0	-123.10	337.30	9.71	-113.39
CC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)SC2=C(C)S1	REAL300004954286	0	39	-2.0	-125.11	344.19	9.13	-115.98
COC1=CC2=NC=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2C=C1	REAL300004954287	0	42	-2.0	-121.12	342.40	6.90	-114.22
COC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CN=C1	REAL300004954288	0	39	-2.0	-121.76	319.34	6.24	-115.52
CCSC1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004954289	0	46	-2.0	-120.69	361.92	9.58	-111.11
CC1=CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(C)=N1	REAL300004954290	0	44	-2.0	-121.60	357.14	8.48	-113.12
CC1=NN(C2CCC2)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954291	0	43	-2.0	-122.00	342.40	7.57	-114.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN(C3=CC=CC(F)=C3)N=C2)CC1	REAL300004954292	0	40	-2.0	-123.00	338.51	8.44	-114.56
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NC3=C2CCC3)CC1	REAL300004954293	0	39	-2.0	-121.36	313.23	7.32	-114.04
CCC1=C(C)SC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954294	0	39	-2.0	-123.05	319.44	8.29	-114.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC(OC(F)(F)F)C2)CC1	REAL300004954295	0	37	-2.0	-118.22	315.55	5.98	-112.24
CC1=CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C=C1	REAL300004954296	0	42	-2.0	-124.20	340.50	10.11	-114.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C3COCCC3=C2)CC1	REAL300004954297	0	44	-2.0	-124.42	351.33	8.32	-116.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C3CCOCC3=C2)CC1	REAL300004954298	0	44	-2.0	-124.32	351.35	8.31	-116.01
CS(=O)(=O)C1=COC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954299	0	36	-2.0	-130.34	317.09	2.89	-127.45
CCN1N=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1C	REAL300004954300	0	38	-2.0	-130.88	308.72	5.47	-125.41
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC(C3=CC=CC(F)=C3)=C2)CC1	REAL300004954301	0	42	-2.0	-121.10	348.09	8.79	-112.31
CCC1=CC=C(N2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=N2)C=C1	REAL300004954302	0	45	-2.0	-129.32	370.23	8.93	-120.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCCC(F)(F)C2)CC1	REAL300004954303	0	42	-2.0	-125.49	328.61	8.63	-116.86
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954304	0	54	-2.0	-122.87	402.34	11.69	-111.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CC(C(F)F)C2)CC1	REAL300004954305	0	39	-2.0	-122.26	314.76	8.02	-114.24
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954306	0	44	-2.0	-119.30	360.28	8.98	-110.32
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954307	0	41	-2.0	-127.03	347.64	7.31	-119.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CC=C(N3CCOCC3)C=C2)CC1	REAL300004954308	0	49	-2.0	-122.46	381.14	7.01	-115.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=C3OCCOC3=C2)CC1	REAL300004954309	0	46	-2.0	-125.99	369.50	8.69	-117.30
CCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1Cl	REAL300004954310	0	39	-2.0	-120.06	329.40	9.02	-111.04
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954311	0	47	-2.0	-125.13	374.82	6.34	-118.79
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CC3CC3)C=C2)CC1	REAL300004954312	0	43	-2.0	-122.91	346.64	10.18	-112.73
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3CCCCC3=C2)CC1	REAL300004954313	0	42	-2.0	-120.69	330.66	7.88	-112.81
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954314	0	41	-2.0	-127.49	339.40	9.18	-118.31
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC2C2=CC=CC=C2Cl)CC1	REAL300004954315	0	43	-2.0	-120.77	344.42	10.01	-110.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(Br)=C3OC=CC3=C2)CC1	REAL300004954316	0	36	-2.0	-121.16	321.51	8.15	-113.01
COCCN1C=CC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300004954317	0	47	-2.0	-126.92	382.24	8.90	-118.02
CC(C)N1C=CC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CC=C21	REAL300004954318	0	46	-2.0	-127.30	366.59	10.31	-116.99
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=NN2CC2CC2)CC1	REAL300004954319	0	40	-2.0	-119.15	322.89	7.33	-111.82
CC1(C)COCCC1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954320	0	43	-2.0	-121.88	309.97	6.11	-115.77
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=NN=CN32)CC1	REAL300004954321	0	35	-2.0	-122.76	297.44	8.27	-114.49
C=CCOCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C(C)(C)C	REAL300004954322	0	49	-2.0	-118.87	366.42	8.50	-110.37
CC12CCCN1S(=O)(=O)C(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C2	REAL300004954323	0	45	-2.0	-125.88	344.01	4.52	-121.36
CN1N=CC(C(F)F)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954324	0	36	-2.0	-116.78	311.34	5.81	-110.97
CC1=NN(C2CCC2)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954325	0	43	-2.0	-119.41	338.88	7.71	-111.70
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954326	0	44	-2.0	-126.02	365.19	9.69	-116.33
CC1(C)CCCOC1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954327	0	46	-2.0	-122.15	340.86	7.87	-114.28
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=C(Cl)C=C2F)CC1	REAL300004954328	0	37	-2.0	-122.05	328.70	9.29	-112.76
COC1=CC2=CC=C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C=C1	REAL300004954329	0	46	-2.0	-125.19	373.10	9.77	-115.42
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954330	0	39	-2.0	-120.49	344.37	6.41	-114.08
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954331	0	39	-2.0	-122.12	337.99	5.12	-117.00
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954332	0	43	-2.0	-140.11	365.91	6.82	-133.29
CC12CCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)(CC1)OC2	REAL300004954333	0	44	-2.0	-124.79	325.56	7.07	-117.72
CCCCOC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004954334	0	50	-2.0	-122.03	400.27	10.49	-111.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3C=COC3=C2)CC1	REAL300004954335	0	36	-2.0	-124.22	299.30	7.50	-116.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=NC=C2Cl)CC1	REAL300004954336	0	39	-2.0	-123.24	330.91	8.41	-114.83
CC1=C(C)NC(=O)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954337	0	39	-2.0	-138.00	321.75	5.49	-132.51
CCN1N=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1C	REAL300004954338	0	39	-2.0	-130.99	317.71	6.97	-124.02
CCCN1C=CC=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954339	0	40	-2.0	-126.06	319.46	8.31	-117.75
CC(C)(C)N1C=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004954340	0	45	-2.0	-125.33	360.42	8.03	-117.30
CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=C(F)C(F)=C1	REAL300004954341	0	42	-2.0	-119.57	344.68	9.54	-110.03
CC1=CC=C(C2(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2)C(F)=C1	REAL300004954342	0	43	-2.0	-126.17	348.70	9.76	-116.41
CCCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=NN1CC	REAL300004954343	0	44	-2.0	-131.13	352.63	6.98	-124.15
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(C2=NNC=N2)=N1	REAL300004954344	0	41	-2.0	-125.87	354.94	6.52	-119.35
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3NC=NC3=CC(Br)=C2)CC1	REAL300004954345	0	36	-2.0	-132.59	321.11	7.49	-125.10
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3N=CNC3=CC(Br)=C2)CC1	REAL300004954345	1	36	-2.0	-132.59	321.11	7.49	-125.10
CC1=NNC2=C1CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC2	REAL300004954346	0	43	-2.0	-121.30	334.83	6.54	-114.76
CC1=C2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2=NN1	REAL300004954346	1	43	-2.0	-121.30	334.83	6.54	-114.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=C(Br)C=CS2)CC1	REAL300004954347	0	36	-2.0	-119.46	328.21	8.62	-110.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3NC(C4CC4)=NC3=C2)CC1	REAL300004954348	0	43	-2.0	-130.59	350.59	8.23	-122.36
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954349	0	43	-2.0	-126.32	339.02	8.66	-117.66
NS(=O)(=O)C1=COC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954350	0	35	-2.0	-127.36	310.66	0.32	-127.04
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=NC(C(F)(F)F)=CN3C2)CC1	REAL300004954351	0	43	-2.0	-119.36	358.42	8.50	-110.86
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954352	0	42	-2.0	-120.83	353.47	9.73	-111.10
CSC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300004954353	0	39	-2.0	-116.95	336.58	8.72	-108.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN3N=NC=C3C=C2)CC1	REAL300004954354	0	35	-2.0	-119.12	293.19	5.60	-113.52
C[C@@H]1CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NN=C2[C@H](C)O1	REAL300004954355	0	44	-2.0	-128.13	347.76	5.75	-122.38
C[C@@H]1CC2=C(NN=C2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)[C@H](C)O1	REAL300004954355	1	44	-2.0	-128.13	347.76	5.75	-122.38
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCNC2=CN=CN=C2)CC1	REAL300004954356	0	39	-2.0	-121.37	322.05	5.15	-116.22
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CC3(CCC3)C2)CC1	REAL300004954357	0	43	-2.0	-121.49	334.31	9.16	-112.33
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C[C@@H](O)C2=CC=CC=C2)CC1	REAL300004954358	0	40	-2.0	-123.81	325.93	6.72	-117.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(CF)=C2)CC1	REAL300004954359	0	32	-2.0	-125.03	276.71	5.96	-119.07
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC(F)(F)CC2)CC1	REAL300004954360	0	42	-2.0	-122.39	319.55	8.15	-114.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=CC=NN3C2)CC1	REAL300004954361	0	40	-2.0	-123.07	318.46	6.67	-116.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3C=NSC3=CC=C2)CC1	REAL300004954362	0	35	-2.0	-120.64	298.20	7.12	-113.52
CN1C=C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004954363	0	37	-2.0	-125.31	311.35	5.91	-119.40
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(Cl)=C1	REAL300004954364	0	39	-2.0	-126.86	348.80	5.23	-121.63
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC(C3CC3)=NC=C2Cl)CC1	REAL300004954365	0	38	-2.0	-122.43	330.20	8.09	-114.34
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954366	0	54	-2.0	-122.93	410.78	9.32	-113.61
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CC=C2C=N1	REAL300004954367	0	41	-2.0	-128.39	337.31	8.30	-120.09
CN1N=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C(C3CC3)N=C21	REAL300004954368	0	45	-2.0	-118.74	362.17	8.19	-110.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CCC(C(F)(F)F)(CC2)C3)CC1	REAL300004954369	0	43	-2.0	-118.34	337.85	8.58	-109.76
CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954370	0	45	-2.0	-122.74	336.10	8.68	-114.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C=CC2=CC=NC=C2)CC1	REAL300004954371	0	36	-2.0	-121.20	301.05	6.90	-114.30
COC1=CC=C(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(OC)=C1OC	REAL300004954372	0	49	-2.0	-124.73	399.92	7.96	-116.77
CC=CC1=CC=C(OCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(OC)=C1	REAL300004954373	0	48	-2.0	-125.67	388.07	9.82	-115.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC(OC3=CC=CC=C3)CC2)CC1	REAL300004954374	0	50	-2.0	-121.88	384.41	10.01	-111.87
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3=CC=CN=C3C2)CC1	REAL300004954375	0	39	-2.0	-127.73	309.83	7.28	-120.45
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN3C(=NN=C3C3=CC=CC=C3)C=C2)CC1	REAL300004954376	0	45	-2.0	-121.12	374.34	11.14	-109.98
CC1=CC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN=C2C(F)=C1	REAL300004954377	0	41	-2.0	-120.79	341.72	8.31	-112.48
CN1C=C(C2=NC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CO2)C=N1	REAL300004954378	0	39	-2.0	-133.95	333.88	4.61	-129.34
COC1=C2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NC2=C(C)C=C1	REAL300004954379	0	44	-2.0	-123.31	354.51	7.61	-115.70
COC1=NC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C=C1	REAL300004954380	0	42	-2.0	-123.06	346.76	6.11	-116.95
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(COC3=CC=C(F)C=C3)=C2)CC1	REAL300004954381	0	43	-2.0	-127.01	367.05	8.59	-118.42
CCCCOC1=CC=C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004954382	0	49	-2.0	-123.01	391.99	10.03	-112.98
CC(C)(C)C1=CC=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954383	0	44	-2.0	-127.71	344.20	8.51	-119.20
CC1=CN2C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN=C2S1	REAL300004954384	0	36	-2.0	-123.74	309.58	7.45	-116.29
CCCC(CCC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954385	0	51	-2.0	-123.82	396.15	11.58	-112.24
CCC(C)(C)C1CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004954386	0	54	-2.0	-120.78	381.94	10.13	-110.65
COC1CC2(C1)CCC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC2	REAL300004954387	0	50	-2.0	-122.44	376.42	8.27	-114.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2COC3COCC32)CC1	REAL300004954388	0	39	-2.0	-129.13	297.82	5.26	-123.87
CC1=CC2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN=C2C=C1	REAL300004954389	0	41	-2.0	-123.57	335.43	8.13	-115.44
CCC(CCC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954390	0	48	-2.0	-123.58	374.66	10.81	-112.77
CN1C=C(C2=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=NO2)N=N1	REAL300004954391	0	38	-2.0	-127.91	327.05	5.31	-122.60
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC2=CC=C3CCOCC3=C2)CC1	REAL300004954392	0	47	-2.0	-122.26	372.68	9.10	-113.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC23CCC(F)(F)CC3)CC1	REAL300004954393	0	43	-2.0	-125.01	336.70	9.04	-115.97
CN(C)C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1[N+](=O)[O-]	REAL300004954394	0	43	-2.0	-117.16	353.54	8.47	-108.69
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004954395	0	42	-2.0	-133.52	356.58	5.64	-127.88
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(=O)NC(C2=CC=CO2)=N1	REAL300004954395	1	42	-2.0	-133.52	356.58	5.64	-127.88
CC(C)(C)C1=CN=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954396	0	44	-2.0	-120.65	344.23	7.71	-112.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(OC3=CC=C(F)C=C3)S2)CC1	REAL300004954397	0	41	-2.0	-120.05	360.27	9.27	-110.78
COC1CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1(C)C	REAL300004954398	0	46	-2.0	-123.24	354.00	7.43	-115.81
N#CC1=CC=C(C2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)N=CO2)C=C1	REAL300004954399	0	40	-2.0	-127.61	353.63	6.24	-121.37
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=NN21	REAL300004954400	0	47	-2.0	-133.76	370.15	8.62	-125.14
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3(CC3(F)F)C2)CC1	REAL300004954401	0	40	-2.0	-120.12	321.69	8.42	-111.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3C2C3(F)F)CC1	REAL300004954402	0	40	-2.0	-119.58	314.91	8.25	-111.33
C=C1CC2(C1)CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C2	REAL300004954403	0	41	-2.0	-121.18	325.76	8.84	-112.34
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954404	0	44	-2.0	-126.11	348.37	9.09	-117.02
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954405	0	51	-2.0	-122.83	340.63	9.67	-113.16
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)F)=NN1C	REAL300004954406	0	39	-2.0	-128.21	334.34	6.49	-121.72
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3CCCC3)=NN2)CC1	REAL300004954407	0	43	-2.0	-126.34	338.28	7.50	-118.84
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC(C3CCCC3)=C2)CC1	REAL300004954407	1	43	-2.0	-126.34	338.28	7.50	-118.84
COC1=CC=CC=C1OC(C)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954408	0	44	-2.0	-126.68	349.71	8.23	-118.45
CC1=C(Cl)C=NN1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954409	0	36	-2.0	-122.45	315.09	6.53	-115.92
CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1S(=O)(=O)N(C)C	REAL300004954410	0	47	-2.0	-127.58	373.01	5.64	-121.94
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N2C=C(C)SC2=N1	REAL300004954411	0	42	-2.0	-121.59	359.01	9.04	-112.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC(C3CCCO3)O2)CC1	REAL300004954412	0	45	-2.0	-122.30	348.92	6.72	-115.58
CN1N=NC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C21	REAL300004954413	0	38	-2.0	-136.98	318.33	5.81	-131.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3OCCCC3=C2)CC1	REAL300004954414	0	40	-2.0	-121.62	321.41	4.73	-116.89
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CCCOCCCC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954420	0	42	-2.0	-121.00	335.66	6.80	-114.20
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CC(C)C(C)C(C)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954426	0	47	-2.0	-119.39	342.94	8.71	-110.68
COC1CC2(C1)CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C2	REAL300004954427	0	44	-2.0	-121.14	345.63	7.27	-113.87
CC1=CC2=C(OCC2)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954428	0	41	-2.0	-129.55	332.34	7.81	-121.74
CC(C)OCC1=CC=CC=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954429	0	49	-2.0	-123.01	389.05	9.71	-113.30
CC1(C)CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CO1	REAL300004954430	0	43	-2.0	-118.99	321.05	6.27	-112.72
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CC12CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)(CO1)CCC2	REAL300004954432	0	44	-2.0	-121.76	319.82	6.38	-115.38
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C(C3CC3)C=CO2)CC1	REAL300004954436	0	37	-2.0	-125.09	301.35	7.54	-117.55
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3=CC=CC=N3)=NN2)CC1	REAL300004954437	0	39	-2.0	-130.33	327.93	6.08	-124.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC(C3=CC=CC=N3)=C2)CC1	REAL300004954437	1	39	-2.0	-130.33	327.93	6.08	-124.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(C3=CC=CC=N3)S2)CC1	REAL300004954438	0	39	-2.0	-122.40	338.28	8.21	-114.19
CC1(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1(F)F	REAL300004954439	0	36	-2.0	-121.13	294.11	7.27	-113.86
CN(C)C1=CC2=CC=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=C2C=C1	REAL300004954440	0	47	-2.0	-125.58	371.44	9.85	-115.73
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CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)OC(S(N)(=O)=O)=C1	REAL300004954442	0	38	-2.0	-129.21	329.19	1.23	-127.98
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3(CC3(F)F)C2)CC1	REAL300004954445	0	37	-2.0	-123.21	309.41	8.03	-115.18
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3CCOCC3)CC2(F)F)CC1	REAL300004954446	0	44	-2.0	-124.88	340.16	6.72	-118.16
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CC1=NNC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954448	0	39	-2.0	-124.54	320.82	5.96	-118.58
CC1=CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1	REAL300004954448	1	39	-2.0	-124.54	320.82	5.96	-118.58
CC(CN1C=CN=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954450	0	39	-2.0	-119.27	312.72	8.05	-111.22
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CN1C=NC2=C1CCCC2C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954454	0	43	-2.0	-135.15	331.29	9.60	-125.55
COC1=C(Cl)C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=NC=CC=C21	REAL300004954455	0	42	-2.0	-129.67	362.69	7.84	-121.83
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COCC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N1	REAL300004954458	0	38	-2.0	-120.10	313.71	5.15	-114.95
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=NN1C(C)C(C)C	REAL300004954459	0	48	-2.0	-125.20	374.28	8.41	-116.79
CCCSC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954460	0	43	-2.0	-125.49	356.01	9.84	-115.65
COC1=CC=C2C(=C1)CCCC2C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954461	0	47	-2.0	-124.50	363.86	8.93	-115.57
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CCCCSC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954463	0	46	-2.0	-125.56	377.51	10.62	-114.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)C2=CC=C(Cl)C=C2Cl)CC1	REAL300004954464	0	37	-2.0	-120.87	326.71	6.41	-114.46
CC1=NC=NC2=C1CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC2	REAL300004954465	0	44	-2.0	-120.19	343.76	8.28	-111.91
CC1=NN(C)C(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954466	0	39	-2.0	-123.68	320.57	6.33	-117.35
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC3=CC=C(Br)C=C23)CC1	REAL300004954467	0	36	-2.0	-122.72	323.43	8.36	-114.36
COC1=CC=CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004954468	0	39	-2.0	-127.51	323.30	5.21	-122.30
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC(C(F)(F)F)=CC=N1	REAL300004954469	0	44	-2.0	-125.24	354.78	8.58	-116.66
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC(OC(F)(F)F)CC2)CC1	REAL300004954470	0	43	-2.0	-119.18	346.68	7.12	-112.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=CSC(Cl)=C2)CC1	REAL300004954471	0	33	-2.0	-120.81	304.66	7.78	-113.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=C(Br)C=C3O2)CC1	REAL300004954472	0	36	-2.0	-122.90	322.66	8.54	-114.36
CC(C)OC1=CC=C(F)C=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954473	0	43	-2.0	-127.43	348.84	8.45	-118.98
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954474	0	42	-2.0	-118.16	363.25	10.15	-108.01
CC(CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)CC(F)(F)F	REAL300004954475	0	38	-2.0	-121.00	309.83	7.54	-113.46
CC1(C)CC2(CC2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004954476	0	43	-2.0	-122.97	333.20	9.00	-113.97
COC1=CC=C(N2CCCCC2)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954477	0	52	-2.0	-130.19	393.21	8.08	-122.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCC3(CCCC3)CC2)CC1	REAL300004954478	0	52	-2.0	-120.25	374.91	10.60	-109.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC23CCC3)CC1	REAL300004954479	0	43	-2.0	-123.57	318.06	9.10	-114.47
CC1COC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C21	REAL300004954480	0	41	-2.0	-129.12	330.44	7.69	-121.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC(C3CCC3)C2)CC1	REAL300004954481	0	43	-2.0	-120.78	331.81	9.09	-111.69
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C3CCOCC3=C2)CC1	REAL300004954482	0	40	-2.0	-120.46	321.59	5.45	-115.01
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2COCC3=CC=CC=C32)CC1	REAL300004954483	0	44	-2.0	-121.24	342.48	8.04	-113.20
CC1=NN=C2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CN12	REAL300004954484	0	39	-2.0	-121.17	314.84	7.51	-113.66
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCCCCC2(F)F)CC1	REAL300004954485	0	45	-2.0	-122.70	334.43	8.84	-113.86
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C(=O)C3=CC=CC=C3)=CC=C2)CC1	REAL300004954486	0	45	-2.0	-122.98	367.26	10.37	-112.61
CC12CC(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)(C1)CO2	REAL300004954487	0	41	-2.0	-123.46	320.34	6.43	-117.03
CC1CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCS1(=O)=O	REAL300004954488	0	42	-2.0	-124.68	331.83	4.20	-120.48
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H]3CCCCC[C@H]23)CC1	REAL300004954489	0	46	-2.0	-123.03	334.78	9.14	-113.89
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@]23CCCC2=CC=CC=C23)CC1	REAL300004954490	0	47	-2.0	-122.88	360.50	11.05	-111.83
CCC1=CN2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2=N1	REAL300004954491	0	46	-2.0	-119.90	360.62	8.88	-111.02
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCC23CCC(CC2)C3)CC1	REAL300004954492	0	46	-2.0	-120.34	346.35	9.53	-110.81
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CC3=CC=CC=C3)C=C2)CC1	REAL300004954493	0	46	-2.0	-124.16	375.67	11.65	-112.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=CC(N3C=CN=C3)=N2)CC1	REAL300004954494	0	38	-2.0	-131.35	320.15	7.91	-123.44
CC1(C)CC2=CC=CC(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=C2O1	REAL300004954495	0	47	-2.0	-128.07	374.97	9.45	-118.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CCCOC2=CC=CC([N+](=O)[O-])=C2)CC1	REAL300004954496	0	45	-2.0	-126.11	376.72	9.24	-116.87
COC1=CN=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954497	0	35	-2.0	-127.95	292.13	4.13	-123.82
CC1CCC(OCCCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004954498	0	52	-2.0	-121.46	394.82	9.41	-112.05
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(F)C2CCOC2)CC1	REAL300004954499	0	37	-2.0	-120.25	294.16	5.31	-114.94
CCC1(C)CCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004954500	0	43	-2.0	-122.66	324.71	7.90	-114.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C3SN=CC3=C2)CC1	REAL300004954501	0	35	-2.0	-119.42	303.28	7.33	-112.09
CN(CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1)C1=CC=CC=C1	REAL300004954502	0	51	-2.0	-125.46	401.08	11.38	-114.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN([C@@H]3COC[C@@H]3F)N=N2)CC1	REAL300004954503	0	40	-2.0	-129.49	329.84	4.32	-125.17
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COC1=CC([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C(OC)C=C1C	REAL300004954505	0	51	-2.0	-125.84	402.91	8.92	-116.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC3=NC=CN3C=C2)CC1	REAL300004954506	0	35	-2.0	-139.56	293.89	9.19	-130.37
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCCCC2(F)F)CC1	REAL300004954507	0	42	-2.0	-120.78	327.41	8.54	-112.24
CN1N=CC=C1C1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=C1	REAL300004954508	0	43	-2.0	-123.98	345.81	8.13	-115.85
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CC3(CC(F)C3)C2)CC1	REAL300004954509	0	40	-2.0	-120.87	318.81	8.40	-112.47
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CCC(C2)S(=O)(=O)CC3)CC1	REAL300004954510	0	43	-2.0	-124.75	325.55	4.16	-120.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3=NC=CC=C32)CC1	REAL300004954511	0	42	-2.0	-122.70	329.23	7.83	-114.87
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CN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC(Cl)=CC=C21	REAL300004954514	0	40	-2.0	-128.38	345.17	9.48	-118.90
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CC(C)[C@H]1CC[C@@H](C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004954521	0	48	-2.0	-122.82	344.48	9.11	-113.71
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CC1=CN2C=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC2=N1	REAL300004954523	0	39	-2.0	-119.91	325.36	8.47	-111.44
CC1=NC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C2C=CNC2=N1	REAL300004954524	0	38	-2.0	-130.16	313.00	7.01	-123.15
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CC(C)N1C=C(C2CC2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004954528	0	46	-2.0	-123.26	369.18	8.69	-114.57
CC1(C)CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CO1	REAL300004954529	0	43	-2.0	-122.19	333.87	6.81	-115.38
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COC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC(F)=C1F	REAL300004954531	0	37	-2.0	-117.83	314.89	6.64	-111.19
COC1=CC2=CC=CN=C2C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954532	0	42	-2.0	-134.68	343.22	7.10	-127.58
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CC1=C2NN=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=CC=C1	REAL300004954534	0	39	-2.0	-120.12	319.51	6.86	-113.26
CC1=CC=CC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)NN=C21	REAL300004954534	1	39	-2.0	-120.12	319.51	6.86	-113.26
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3(CCOCC3)O2)CC1	REAL300004954535	0	45	-2.0	-122.86	342.17	6.50	-116.36
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3(CCC3)O2)CC1	REAL300004954536	0	41	-2.0	-123.92	318.05	7.66	-116.26
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC(C2=CC=C(F)C(F)=C2)C2CC2)CC1	REAL300004954537	0	46	-2.0	-122.78	375.21	10.96	-111.82
CC1CCCC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004954538	0	45	-2.0	-120.61	324.82	8.46	-112.15
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC2=CC=CC=C21	REAL300004954539	0	45	-2.0	-124.24	354.00	10.71	-113.53
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)C1=CC=CC=C1Cl	REAL300004954540	0	39	-2.0	-122.12	324.64	8.99	-113.13
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC(CC3=CC=CC=N3)=C2)CC1	REAL300004954541	0	45	-2.0	-125.84	369.00	9.81	-116.03
CC(F)(F)[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954542	0	36	-2.0	-121.61	300.83	7.53	-114.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=COC3=C(F)C=C(Cl)C=C23)CC1	REAL300004954543	0	36	-2.0	-117.89	324.80	8.26	-109.63
CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1C=CC(C2CC2)=N1	REAL300004954544	0	43	-2.0	-124.98	346.15	7.88	-117.10
CC(C)(C)C1CCNC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=NN21	REAL300004954545	0	51	-2.0	-126.14	377.42	7.39	-118.75
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C2=CC=C(C)C=C2)=NO1	REAL300004954546	0	45	-2.0	-120.23	374.33	9.81	-110.42
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(C2=CC=C(F)C=C2)C2CC2)CC1	REAL300004954547	0	43	-2.0	-119.10	346.66	9.95	-109.15
CC1=CC=CC=C1C1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004954548	0	42	-2.0	-125.08	348.96	9.47	-115.61
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NOC(C3=CC=C4OCOC4=C3)=C2)CC1	REAL300004954549	0	42	-2.0	-126.74	354.80	7.49	-119.25
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3CCC3)=NO2)CC1	REAL300004954550	0	39	-2.0	-119.99	316.43	7.36	-112.63
CC12CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)(C1)CCO2	REAL300004954551	0	41	-2.0	-118.56	309.91	5.92	-112.64
CC12CC3(C)CC(F)(C1)CC(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)(C2)C3	REAL300004954552	0	53	-2.0	-124.52	375.78	9.91	-114.61
CN1C=C(C(F)(F)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004954554	0	36	-2.0	-119.48	308.86	5.93	-113.55
COC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C(F)(F)F)=N1	REAL300004954555	0	38	-2.0	-117.44	330.82	2.90	-114.54
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=C(CN3CCOCC3)C=C2)CC1	REAL300004954556	0	49	-2.0	-123.94	380.99	6.27	-117.67
COC1=CC([C@@H](C)CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC=C1C	REAL300004954558	0	49	-2.0	-121.85	382.05	9.51	-112.34
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954560	0	49	-2.0	-121.84	386.49	9.84	-112.00
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=N1	REAL300004954561	0	49	-2.0	-124.42	387.87	9.79	-114.63
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCCC3(CCC3)C2)CC1	REAL300004954563	0	46	-2.0	-121.21	342.84	9.28	-111.93
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC=CC3=C2COC3)CC1	REAL300004954564	0	38	-2.0	-124.38	310.86	6.55	-117.83
CC1CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CCS1	REAL300004954565	0	40	-2.0	-118.96	319.52	8.01	-110.95
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O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NN3CC4(CC4)CC3=C2)CC1	REAL300004954567	0	41	-2.0	-130.57	331.49	7.75	-122.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=NC=C3)CC2)CC1	REAL300004954568	0	39	-2.0	-121.18	316.82	7.29	-113.89
CC(C)(C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1)N1C=CC(C2CC2)=N1	REAL300004954569	0	46	-2.0	-129.24	354.64	8.37	-120.87
CCCCC[C@@H](O)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954570	0	45	-2.0	-122.26	353.81	6.66	-115.60
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2CCS(=O)(=O)CC2)CC1	REAL300004954571	0	42	-2.0	-127.85	336.09	4.52	-123.33
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N2C=CC=CC2=N1	REAL300004954572	0	39	-2.0	-124.55	325.13	8.20	-116.35
COC12CCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)(CC1)C2	REAL300004954573	0	44	-2.0	-121.10	329.60	6.52	-114.58
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CC4CC(CC(C4)O2)C3)CC1	REAL300004954574	0	45	-2.0	-126.31	325.20	7.51	-118.80
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COC1CC(CCC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1	REAL300004954576	0	43	-2.0	-121.39	340.26	6.99	-114.40
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=C(C2)C(C(F)(F)F)=NN3)CC1	REAL300004954577	0	43	-2.0	-125.88	358.43	7.12	-118.76
CC(C)CC1=NC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004954578	0	43	-2.0	-125.92	345.32	7.99	-117.93
CC1=CC=C(C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2CC2)C=C1	REAL300004954579	0	46	-2.0	-121.12	361.66	10.55	-110.57
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N2C=CC=CC2=N1	REAL300004954580	0	42	-2.0	-124.71	346.52	8.96	-115.75
CC1=CC(F)=CC=C1C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004954581	0	43	-2.0	-121.64	343.04	9.58	-112.06
CC1=CC=C(F)C=C1C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004954582	0	43	-2.0	-124.21	344.88	9.62	-114.59
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(C3=CC=C([N+](=O)[O-])C=C3)CC2)CC1	REAL300004954583	0	42	-2.0	-125.04	350.06	9.74	-115.30
COC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C2=CC=CN=C2C=C1	REAL300004954584	0	42	-2.0	-129.61	346.68	7.00	-122.61
CCC1=C(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004954585	0	38	-2.0	-126.70	310.51	7.31	-119.39
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NNC=C2C2CCC2)CC1	REAL300004954586	0	40	-2.0	-131.21	317.48	6.90	-124.31
CC1CC(C)(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC(C)O1	REAL300004954587	0	46	-2.0	-121.96	315.71	6.85	-115.11
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@]23COC[C@H]2C3(F)F)CC1	REAL300004954589	0	35	-2.0	-120.82	291.95	5.09	-115.73
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954590	0	39	-2.0	-119.73	325.42	8.61	-111.12
CCC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954591	0	42	-2.0	-121.79	335.64	9.14	-112.65
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC(C2=CC=CC=C2)N2C=NN=N2)CC1	REAL300004954592	0	44	-2.0	-130.83	357.19	8.60	-122.23
O=C([O-])C1(C(=O)[O-])CCN(C(=O)CC2=C3NC=CC=C3N=C2)CC1	REAL300004954593	0	39	-2.0	-135.34	324.01	6.40	-128.94
COC1=C2NC=C(CC(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C2=CC=C1	REAL300004954594	0	44	-2.0	-128.05	359.07	7.56	-120.49
COCC(C)(O)CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954595	0	40	-2.0	-123.58	316.43	3.66	-119.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(Cl)C=C(F)C=C3N2)CC1	REAL300004954596	0	37	-2.0	-115.30	326.95	8.13	-107.17
CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)NC2=C1CCCC2	REAL300004954597	0	44	-2.0	-122.56	345.48	8.06	-114.50
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(CC3CCC3)=CN2)CC1	REAL300004954598	0	44	-2.0	-121.84	348.52	9.07	-112.77
CC1=C(C)NC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004954599	0	40	-2.0	-127.82	330.51	6.76	-121.06
CC1=CNC(C=CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=N1	REAL300004954600	0	37	-2.0	-126.76	310.33	6.20	-120.56
CCC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CS1	REAL300004954601	0	36	-2.0	-122.08	303.65	7.66	-114.42
CCCCN1C=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)N=N1	REAL300004954602	0	41	-2.0	-129.89	335.69	6.51	-123.38
CCCC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NN1C	REAL300004954603	0	42	-2.0	-129.66	337.91	7.58	-122.08
CCCC1=NN(C)C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954604	0	42	-2.0	-119.07	335.17	7.06	-112.01
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CC(C)CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=NO1	REAL300004954607	0	41	-2.0	-124.11	330.50	7.87	-116.24
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CN=C(C3CCOCC3)S2)CC1	REAL300004954608	0	43	-2.0	-119.62	353.90	5.89	-113.73
CC1=NC=C2C=CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CN21	REAL300004954609	1	39	-2.0	-120.38	325.37	8.57	-111.81
CC1=CN2CC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CCC2=N1	REAL300004954610	0	43	-2.0	-119.95	339.19	8.13	-111.82
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=NNN=C3)CCOCC2)CC1	REAL300004954611	0	46	-2.0	-129.91	343.96	3.82	-126.09
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=CNN=N3)CCOCC2)CC1	REAL300004954611	1	46	-2.0	-139.83	344.00	3.89	-135.94
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2(CC3=NNN=C3)CCCC2)CC1	REAL300004954612	0	45	-2.0	-131.29	340.48	5.89	-125.40
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CC(C)(C)C1=CC=CN=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954628	0	44	-2.0	-127.76	335.37	8.34	-119.42
CC1=C(F)C=CC=C1C1(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004954629	0	43	-2.0	-122.29	341.74	9.62	-112.67
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C=C(C)[C@@H]1OCCC[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954634	0	44	-2.0	-120.14	341.79	7.06	-113.08
CC1=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=CC2=NNN=C21	REAL300004954635	0	38	-2.0	-120.83	314.34	5.09	-115.74
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=NC=C3C=CSC3=C2)CC1	REAL300004954636	0	35	-2.0	-129.62	304.26	7.67	-121.95
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=CC(OC(F)F)=C3O2)CC1	REAL300004954637	0	40	-2.0	-127.36	340.64	7.48	-119.88
CN1N=C(C(F)(F)F)C=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954638	0	39	-2.0	-122.49	340.01	6.73	-115.76
CC1CC(CC(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)O1	REAL300004954639	0	43	-2.0	-119.00	333.55	6.78	-112.22
CCC1=CN2CCC(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)CC2=N1	REAL300004954640	0	46	-2.0	-125.97	361.09	8.90	-117.07
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COC1=C2C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)=CSC2=CC=C1	REAL300004954643	0	40	-2.0	-128.63	337.54	9.01	-119.62
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CC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)SC(F)=C1	REAL300004954645	0	33	-2.0	-117.70	287.43	6.95	-110.75
CC1(C)[C@H](C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)[C@@H]1C(F)F	REAL300004954646	0	39	-2.0	-125.04	304.89	7.77	-117.27
CN1N=NC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C21	REAL300004954647	0	38	-2.0	-136.98	318.33	5.81	-131.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC(C3CC3)=CC=N2)CC1	REAL300004954648	0	39	-2.0	-129.33	316.78	8.38	-120.95
COC1=NC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C(C)=N1	REAL300004954649	0	38	-2.0	-117.48	314.19	2.50	-114.98
CC(CC1=CC=NC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954650	0	41	-2.0	-120.96	328.63	7.56	-113.40
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CC1=CC=CC(C(O)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954653	0	40	-2.0	-119.95	321.58	6.57	-113.38
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CC(C)(CC1=NNN=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954655	0	41	-2.0	-120.51	314.06	4.63	-115.88
CC(C)(CC1=CNN=N1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954655	1	41	-2.0	-124.67	314.05	4.70	-119.97
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954656	0	51	-2.0	-117.55	401.93	7.04	-110.51
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=C(CCCC3=O)N2)CC1	REAL300004954657	0	40	-2.0	-124.00	322.39	7.01	-116.99
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COC1=CC=C(Cl)C(F)=C1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954659	0	37	-2.0	-128.46	328.87	7.26	-121.20
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C(O)CC2=CC=CC=C2)CC1	REAL300004954660	0	40	-2.0	-119.05	325.03	6.62	-112.43
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3NCCCN3N=C2)CC1	REAL300004954661	0	39	-2.0	-126.63	309.44	4.60	-122.03
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CNC(C3=CC=CC=C3)=C2)CC1	REAL300004954662	0	41	-2.0	-126.02	335.98	8.62	-117.40
CC1CCCC(O)(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004954663	0	46	-2.0	-118.76	330.93	5.57	-113.19
CC(C)(C)C1CCC(C(O)C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)CC1	REAL300004954664	0	55	-2.0	-119.35	390.18	8.17	-111.18
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CC(C)S(=O)(=O)NC1=CC=CC(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954666	0	47	-2.0	-133.72	388.19	5.34	-128.38
CCOC1=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C=CS1	REAL300004954667	0	37	-2.0	-128.09	312.58	7.01	-121.08
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=C3NC=CC3=CC(F)=C2)CC1	REAL300004954668	0	37	-2.0	-123.81	306.13	7.25	-116.56
CCC1=NNC(CC)=C1CC(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954669	0	45	-2.0	-123.51	359.22	7.21	-116.30
CN(C)C1=NC2=C(C(=O)N3CCC(C(=O)[O-])(C(=O)[O-])CC3)C=CC=C2O1	REAL300004954670	0	43	-2.0	-133.54	353.93	5.78	-127.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H](O)CC2=CC3=CC=CC=C3C=C2)CC1	REAL300004954671	0	46	-2.0	-122.55	370.78	8.95	-113.60
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C=C2)CC1	REAL300004954672	0	40	-2.0	-121.21	341.73	10.05	-111.16
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CC1	REAL300004954675	0	40	-2.0	-120.98	324.28	9.50	-111.48
CCC(=CC1=CC=CC=C1)C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954676	0	43	-2.0	-124.36	329.56	9.30	-115.06
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(Br)=C2)CC1	REAL300004954677	0	40	-2.0	-122.42	346.29	10.15	-112.27
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2CCC3=NN=CN3C2)CC1	REAL300004954678	0	39	-2.0	-121.09	311.06	8.17	-112.92
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2)CC1	REAL300004954679	0	40	-2.0	-120.98	324.28	9.50	-111.48
CN(C)CC1=CC=C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)O1	REAL300004954680	0	41	-2.0	-123.80	332.13	5.18	-118.62
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C2=CC3=CC=C(O)C=C3N2)CC1	REAL300004954681	0	38	-2.0	-121.98	314.73	4.81	-117.17
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@@H]2C2=CC=CC=C2)CC1	REAL300004954682	0	40	-2.0	-122.34	324.80	9.54	-112.80
CC1C(C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)C1C1=CC=CC=C1	REAL300004954683	0	43	-2.0	-124.18	331.96	9.88	-114.30
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(C(=O)[O-])CC1	REAL300004954684	0	46	-2.0	-122.45	362.41	10.75	-111.70
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC=C2F)CC1	REAL300004954686	0	40	-2.0	-124.51	329.82	9.51	-115.00
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=CC(O)=C2)CC1	REAL300004954687	0	41	-2.0	-123.53	332.35	6.92	-116.61
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CC(C2)C[N@@H+]3C2CC2)CC1	REAL300004954688	0	43	-2.0	-126.49	323.50	7.13	-119.36
O=C([O-])C1(C(=O)[O-])CCN(C(=O)C23CC(C2)CN3C2CC2)CC1	REAL300004954688	1	43	-2.0	-126.49	323.50	7.13	-119.36
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@H](N3C=NN=C3)C2)CC1	REAL300004954689	0	39	-2.0	-127.54	314.18	9.06	-118.48
COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])(C(=O)[O-])CC2)=C1	REAL300004954690	0	44	-2.0	-124.82	354.50	8.83	-115.99
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300004954691	0	40	-2.0	-120.50	353.25	10.74	-109.76
O=C([O-])C1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2C2=CC=C(Br)C=C2)CC1	REAL300004954692	0	40	-2.0	-121.18	346.29	10.16	-111.02
CC1=C(CCC(=O)N2CCC(CC(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300004955025	1	51	-2.0	-98.06	404.97	7.17	-90.89
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300004955373	0	41	-2.0	-111.19	346.87	4.44	-106.75
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC(=O)[O-])C1	REAL300004955683	0	41	-2.0	-112.32	346.90	4.68	-107.64
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCC(CC(=O)[O-])C2)C=C1	REAL300004955729	1	43	-2.0	-101.77	370.15	10.12	-91.65
O=C([O-])CC1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CC=C3)C=C2)C1	REAL300004955911	1	45	-2.0	-102.10	380.70	6.65	-95.45
O=C([O-])CC1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C1	REAL300004955912	1	45	-2.0	-101.18	380.32	6.63	-94.55
CC1=CC(C(=O)N2CCC(CC(=O)[O-])C2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300004955925	0	41	-2.0	-92.89	361.81	4.82	-88.07
O=C([O-])CC1CCN(C(=O)C2=CC=C([N-]S(=O)(=O)C3=CC=CS3)C=C2)C1	REAL300004956157	0	42	-2.0	-100.85	371.95	5.62	-95.23
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CC(=O)[O-])C2)O1	REAL300004956175	1	44	-2.0	-91.00	370.81	3.37	-87.63
C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(CC(=O)[O-])C2)O1	REAL300004956176	1	35	-2.0	-90.20	315.36	0.95	-89.25
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(CC(=O)[O-])C2)=C1	REAL300004956416	0	45	-2.0	-117.96	381.01	2.64	-115.32
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC(=O)[O-])C1	REAL300004956462	0	38	-2.0	-110.72	325.44	3.78	-106.94
O=C([O-])CC1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C3=CC=CS3)=C2)C1	REAL300004956470	0	42	-2.0	-99.64	372.26	5.63	-94.01
CC(C)C(=O)[N-]C1=NC(CC(=O)N2CCC(CC(=O)[O-])C2)=CS1	REAL300004956822	1	42	-2.0	-96.24	359.93	5.42	-90.82
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(CC(=O)[O-])C1	REAL300004957030	0	38	-2.0	-103.92	331.49	3.81	-100.11
CC1=C(CC(=O)N2CCC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004957037	1	44	-2.0	-101.66	369.87	5.57	-96.09
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC(=O)[O-])C1	REAL300004957042	0	44	-2.0	-112.90	368.40	5.46	-107.44
CC1=C(C(=O)N2CCC(CC(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004957104	1	44	-2.0	-114.20	357.35	5.32	-108.88
O=C([O-])CC1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2)C1	REAL300004957203	1	45	-2.0	-99.19	380.33	6.63	-92.56
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N1CCC(CC(=O)[O-])C1	REAL300004957752	0	44	-2.0	-113.68	371.14	6.00	-107.68
O=C([O-])CC1CCN(C(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300004957921	1	34	-2.0	-113.54	301.54	6.80	-106.74
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(CC(=O)[O-])C2)C=N1	REAL300004958008	0	37	-2.0	-105.03	320.72	2.81	-102.22
O=C([O-])CC1CCN(C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=NC=C3)C=C2)C1	REAL300004958069	1	44	-2.0	-95.46	375.93	4.89	-90.57
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])C3)=N2)=C1	REAL300004958084	0	47	-2.0	-124.23	383.51	8.48	-115.75
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])C3)=N2)C=C1	REAL300004958085	0	47	-2.0	-123.71	383.17	8.47	-115.24
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC(=O)[O-])C2)=N1	REAL300004958154	0	41	-2.0	-120.00	350.68	7.56	-112.44
O=C([O-])CC1CCN(C(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])C1	REAL300004958158	0	38	-2.0	-121.99	329.66	6.62	-115.37
O=C([O-])CC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300004958179	1	36	-2.0	-125.02	301.87	7.76	-117.26
O=C([O-])CC1CCN(C(=O)C2=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C2)C1	REAL300004958197	0	38	-2.0	-86.54	341.86	4.06	-82.48
O=C([O-])CC1CCN(C(=O)C2=CN=C(I)C([O-])=C2)C1	REAL300004958235	0	30	-2.0	-89.86	281.59	3.84	-86.02
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])C3)=N2)=C1	REAL300004958284	0	41	-2.0	-127.90	348.25	7.20	-120.70
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(CC(=O)[O-])C2)=N1	REAL300004958285	0	44	-2.0	-126.10	362.40	8.17	-117.93
CC1=C(CC(=O)N2CCC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300004958326	1	44	-2.0	-100.28	370.96	5.61	-94.67
O=C([O-])CC1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300004958358	0	31	-2.0	-94.15	281.53	5.24	-88.91
CCOC1=CC(C(=O)N2CCC(CC(=O)[O-])C2)=CC(Cl)=C1[O-]	REAL300004958442	1	38	-2.0	-98.84	326.38	6.21	-92.63
O=C([O-])CC1CCN(C(=O)C2=NN(C3=CC=CC=C3C(F)(F)F)C=C2[O-])C1	REAL300004958446	0	41	-2.0	-127.85	355.94	7.83	-120.02
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(CC(=O)[O-])C3)=N2)C=C1	REAL300004958453	0	42	-2.0	-123.55	352.46	5.84	-117.71
C[N-]S(=O)(=O)C1=CC(C(=O)N2CCC(CC(=O)[O-])C2)=CO1	REAL300004958470	1	35	-2.0	-101.34	311.21	0.59	-100.75
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300004958590	0	34	-2.0	-87.48	297.89	4.24	-83.24
O=C([O-])CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300004958590	1	34	-2.0	-87.47	297.96	4.24	-83.23
O=C([O-])CC1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300004958850	1	39	-2.0	-111.25	326.79	4.92	-106.33
O=C([O-])CC1CCN(C(=O)C2=CC(Cl)=CC(Cl)=C2[O-])C1	REAL300004959053	0	31	-2.0	-109.07	295.35	6.85	-102.22
CC1=C(C(=O)N2CCC(CC(=O)[O-])C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004959276	0	39	-2.0	-116.51	337.63	4.40	-112.11
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)=C1	REAL300004960321	1	38	-2.0	-112.98	343.18	4.94	-108.04
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300004960636	1	38	-2.0	-113.67	344.09	5.17	-108.50
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=C1	REAL300004960686	1	40	-2.0	-126.68	365.20	10.08	-116.60
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)O1	REAL300004961129	1	41	-2.0	-92.11	368.67	3.51	-88.60
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)O1	REAL300004961130	1	32	-2.0	-91.63	315.05	0.97	-90.66
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300004961403	0	35	-2.0	-112.03	322.62	4.27	-107.76
CC(C)C(=O)[N-]C1=NC(CC(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CS1	REAL300004961772	1	39	-2.0	-115.59	355.99	5.38	-110.21
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300004962008	0	35	-2.0	-104.36	329.03	4.33	-100.03
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC(C(=O)[O-])=CC=C1F	REAL300004962014	1	41	-2.0	-114.25	365.59	5.96	-108.29
COC1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)C([O-])=C1	REAL300004962581	1	32	-2.0	-125.57	289.47	5.95	-119.62
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])=C1	REAL300004963125	1	31	-2.0	-115.92	298.76	7.64	-108.28
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)C=N1	REAL300004963233	0	34	-2.0	-99.77	322.84	3.31	-96.46
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CC=C3F)=N2)=C1	REAL300004963324	0	44	-2.0	-126.84	383.21	8.32	-118.52
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CC=C3F)=N2)C=C1	REAL300004963325	0	44	-2.0	-126.63	382.36	8.32	-118.31
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300004963415	0	38	-2.0	-123.15	344.02	7.39	-115.76
O=C([O-])C1=CC=C(F)C(NC(=O)C2=NN(C3=CC=CC(F)=C3)C=C2[O-])=C1	REAL300004963420	0	35	-2.0	-125.00	328.58	6.46	-118.54
O=C([O-])C1=CC=C(F)C(NC(=O)C2=C([O-])C3=CC=CC=C3C=N2)=C1	REAL300004963451	0	33	-2.0	-127.83	301.73	7.25	-120.58
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CC=C3F)=N2)=C1	REAL300004963604	0	38	-2.0	-130.60	347.75	7.05	-123.55
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)=N1	REAL300004963605	0	41	-2.0	-128.42	357.00	8.21	-120.21
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC(F)=C([O-])C(Cl)=C2)=C1	REAL300004963726	0	28	-2.0	-95.56	284.44	5.76	-89.80
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC=C([O-])C(Cl)=C2)=C1	REAL300004963862	0	28	-2.0	-97.00	278.23	5.68	-91.32
CCOC1=CC(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CC(Cl)=C1[O-]	REAL300004963865	1	35	-2.0	-98.75	329.28	6.73	-92.02
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC(C(=O)[O-])=CC=C3F)=N2)C=C1	REAL300004963877	0	39	-2.0	-126.42	351.65	5.70	-120.72
C[N-]S(=O)(=O)C1=CC(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)=CO1	REAL300004963900	1	32	-2.0	-104.00	314.23	0.94	-103.06
O=C([O-])C1=CC=C(F)C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)N=C[N-]2)=C1	REAL300004963990	0	36	-2.0	-110.51	325.83	9.62	-100.89
O=C([O-])C1=CC=C(F)C(NC(=O)C2=C(C(=O)C3=CC=CC=C3)[N-]C=N2)=C1	REAL300004963990	1	36	-2.0	-110.47	325.78	9.62	-100.85
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300004964057	0	31	-2.0	-88.40	298.03	3.85	-84.55
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300004964057	1	31	-2.0	-88.47	297.96	3.84	-84.63
COCC1=NC=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)C(=O)[N-]1	REAL300004964376	1	33	-2.0	-99.66	302.34	2.35	-97.31
O=C([O-])C1=CC=C(F)C(NC(=O)C2=CC(Cl)=CC(Cl)=C2[O-])=C1	REAL300004964718	0	28	-2.0	-111.31	292.83	7.67	-103.64
CC1=C(C(=O)NC2=CC(C(=O)[O-])=CC=C2F)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300004965018	1	36	-2.0	-103.12	326.05	4.86	-98.26
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)O1	REAL300004966885	1	38	-2.0	-96.95	370.73	2.99	-93.96
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC=CC(Cl)=C1	REAL300004968200	1	34	-2.0	-99.45	324.39	7.14	-92.31
O=C([O-])CC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=CC=CC(Cl)=C1	REAL300004968212	1	37	-2.0	-114.43	347.57	8.95	-105.48
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300004968251	0	34	-2.0	-94.75	314.67	4.48	-90.27
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300004968251	1	34	-2.0	-94.73	314.73	4.50	-90.23
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)C=N1	REAL300004968307	0	40	-2.0	-98.88	372.54	4.52	-94.36
O=C([O-])CC(NC(=O)C1=CN=CC([O-])=C1)C1=CC=CC(Cl)=C1	REAL300004968354	1	33	-2.0	-101.36	306.19	4.56	-96.80
O=C([O-])CC(NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC=CC(Cl)=C1	REAL300004968458	1	39	-2.0	-125.84	351.38	8.58	-117.26
O=C([O-])CC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300004968688	0	34	-2.0	-95.59	340.24	7.79	-87.80
COC1=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)NC(=O)[N-]C1=O	REAL300004968701	1	37	-2.0	-97.69	346.46	2.76	-94.93
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300004968772	0	37	-2.0	-101.19	343.05	6.07	-95.12
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300004968772	1	37	-2.0	-101.20	343.11	6.08	-95.12
O=C([O-])CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC=CC(Cl)=C1	REAL300004968801	0	34	-2.0	-96.82	334.18	7.63	-89.19
CCOC1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)=CC(Cl)=C1[O-]	REAL300004968804	1	41	-2.0	-100.92	385.08	8.77	-92.15
C[N-]S(=O)(=O)C1=CC(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)=CO1	REAL300004968825	1	38	-2.0	-102.47	363.18	2.21	-100.26
O=C([O-])CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(Cl)=C1	REAL300004968950	0	37	-2.0	-87.62	346.78	5.06	-82.56
O=C([O-])CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(Cl)=C1	REAL300004968950	1	37	-2.0	-87.60	346.84	5.06	-82.54
O=C([O-])CC(NC(=O)C1=C[N-]N=CC1=O)C1=CC=CC(Cl)=C1	REAL300004969153	0	32	-2.0	-91.45	298.49	5.01	-86.44
COCC1=NC=C(C(=O)NC(CC(=O)[O-])C2=CC=CC(Cl)=C2)C(=O)[N-]1	REAL300004969175	1	39	-2.0	-111.85	351.41	4.75	-107.10
O=C([O-])CC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=CC=CC(Cl)=C1	REAL300004969429	0	34	-2.0	-109.62	341.83	9.02	-100.60
CC1=C(CCC(=O)N[C@@H]2C=CC[C@@H](C(=O)[O-])C2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300004970295	1	52	-2.0	-97.93	415.53	6.82	-91.11
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H]2C=CC[C@@H](C(=O)[O-])C2)=C1	REAL300004970655	0	42	-2.0	-96.52	355.34	4.58	-91.94
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1C=CC[C@@H](C(=O)[O-])C1	REAL300004970968	0	42	-2.0	-97.41	355.41	4.81	-92.60
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N[C@@H]2C=CC[C@@H](C(=O)[O-])C2)C=C1	REAL300004971017	1	44	-2.0	-104.01	377.48	9.72	-94.29
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2C=CC[C@@H](C(=O)[O-])C2)O1	REAL300004971467	1	45	-2.0	-95.73	381.25	3.16	-92.57
C[N-]S(=O)(=O)C1=CC=C(C(=O)N[C@@H]2C=CC[C@@H](C(=O)[O-])C2)O1	REAL300004971468	1	36	-2.0	-95.01	327.63	0.63	-94.38
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N[C@@H]2C=CC[C@@H](C(=O)[O-])C2)=C1	REAL300004971701	0	46	-2.0	-102.63	390.99	2.83	-99.80
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1C=CC[C@@H](C(=O)[O-])C1	REAL300004971746	0	39	-2.0	-96.08	333.95	3.90	-92.18
CC(C)C(=O)[N-]C1=NC(CC(=O)N[C@@H]2C=CC[C@@H](C(=O)[O-])C2)=CS1	REAL300004972121	1	43	-2.0	-96.53	369.37	5.03	-91.50
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N[C@@H]1C=CC[C@@H](C(=O)[O-])C1	REAL300004972355	0	39	-2.0	-92.04	341.61	3.99	-88.05
CC1=C(CC(=O)N[C@@H]2C=CC[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300004972361	1	45	-2.0	-104.14	379.33	5.19	-98.95
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H]1C=CC[C@@H](C(=O)[O-])C1	REAL300004972366	0	45	-2.0	-97.83	376.91	5.60	-92.23
CC1=C(C(=O)N[C@@H]2C=CC[C@@H](C(=O)[O-])C2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300004972436	1	45	-2.0	-103.36	360.05	5.43	-97.93
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)N[C@@H]1C=CC[C@@H](C(=O)[O-])C1	REAL300004973165	0	45	-2.0	-100.58	381.08	6.19	-94.39
O=C([O-])[C@@H]1CC=C[C@@H](NC(=O)C2=CC=C(C(F)(F)F)C=C2[O-])C1	REAL300004973357	1	35	-2.0	-96.39	311.33	7.39	-89.00
CS(=O)(=O)[N-]C1=CC=C(C(=O)N[C@@H]2C=CC[C@@H](C(=O)[O-])C2)C=N1	REAL300004973455	0	38	-2.0	-97.24	336.25	2.97	-94.27
O=C([O-])[C@@H]1CC=C[C@@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300004973485	1	37	-2.0	-101.44	314.13	4.37	-97.07
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N[C@@H]3C=CC[C@@H](C(=O)[O-])C3)=N2)=C1	REAL300004973540	0	48	-2.0	-112.86	395.81	8.00	-104.86
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N[C@@H]3C=CC[C@@H](C(=O)[O-])C3)=N2)C=C1	REAL300004973541	0	48	-2.0	-110.19	394.58	7.97	-102.22
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N[C@@H]2C=CC[C@@H](C(=O)[O-])C2)=N1	REAL300004973615	0	42	-2.0	-105.78	357.86	7.08	-98.70
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