Index	SMILES	Probability	Label
Compound_1	COc1ccccc1NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(ccc1S(=O)(=O)[O-])NC(=O)C	0.74	1.0
Compound_2	NC(=O)c1ncccc1C=Cc1ccccc1	0.72	1.0
Compound_3	CCOC(=O)OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)OC)C)C)O)C	0.43	0.0
Compound_4	NC1CS(=O)(=O)c2c1cccc2	0.55	1.0
Compound_5	OCC(Cc1ncn(c1)CC(CCl)O)O	0.02	0.0
Compound_6	CC(=O)OC(C=CC1C(=CC(=O)CC1(C)C)C)C	0.39	0.0
Compound_7	CCC(C(C(=O)NCC(=O)NCC(=O)O)NC(=O)OCc1ccccc1)C	0.01	0.0
Compound_8	CC(NC(=O)c1cccc(c1)N)C	0.8	1.0
Compound_9	CCCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1ccc(cc1)C#N	0.97	1.0
Compound_10	OC(COc1ccccc1c1ccc(nn1)Cl)CNC(C)(C)C	0.01	0.0
Compound_11	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(OC)c(cc1OC)Cl)C(=O)N	0.25	0.0
Compound_12	ClC(=O)C(CC(Cl)(Cl)Cl)Cl	0.98	1.0
Compound_13	CCCCCCCCOCCC[N+](C)(C)C	0.31	0.0
Compound_14	CCCCCCCCCCCCCCCC=CCC(C(=O)[O-])CC(=O)OC1CCC2C(C1)CCCC2	0.69	1.0
Compound_15	O=C(c1c(C(=O)OCc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br)OCc1c(Br)c(Br)c(c(c1Br)Br)Br	0.93	1.0
Compound_16	OCC1CCC(CC1C)C	0.96	1.0
Compound_17	OCC(CN(c1ccc(c(c1)C)N=Nc1ncc(s1)N(=O)=O)CC)O	0.08	0.0
Compound_18	CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)CC(CC)C	0.96	1.0
Compound_19	CCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)CC(CC)C	0.94	1.0
Compound_20	CCCCCCCC[Sn](O[Sn](OC(=O)C)(CCCCCCCC)CCCCCCCC)(OC(=O)C)CCCCCCCC	0.94	1.0
Compound_21	ClCC(OC(C)C)OC(C)C	0.71	1.0
Compound_22	Oc1cc(O)c(cc1N=Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-])N=Nc1ccc(c(c1)N)N(=O)=O	0.98	1.0
Compound_23	O=C(c1ccccc1)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccccc1Oc1ccccc1C1CCCCC1)S(=O)(=O)[O-]	0.87	1.0
Compound_24	CCCCCCCCCCCCCC(C(=O)O)CC	0.96	1.0
Compound_25	CCCCCCCCCCCCCCCC(C(=O)O)CC	0.96	1.0
Compound_26	CCCCCCCCCCOC(=O)CCCCC(=O)OCCCC	0.83	1.0
Compound_27	CCCCCCCCCC(=O)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.61	1.0
Compound_28	O=C(Nc1ccc(cc1S(=O)(=O)[O-])Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-])C=CC(=O)Nc1ccc(cc1S(=O)(=O)[O-])Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.95	1.0
Compound_29	CCSC(CO)C	0.97	1.0
Compound_30	COC(=O)c1ccccc1N=NC(C(=O)Nc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccccc1C(=O)OC)C(=O)C	0.26	0.0
Compound_31	O=Cc1cccc(c1)Oc1ccc(cc1)C	0.99	1.0
Compound_32	COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])NC(=O)c1ccccc1)c1ccc(c(c1)OC)N=Nc1c(O)c2c(cc1S(=O)(=O)[O-])cccc2S(=O)(=O)[O-]	0.98	1.0
Compound_33	COc1ccccc1NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(ccc1C)S(=O)(=O)N(C)C	0.41	0.0
Compound_34	CCN1CCCC1CNC(=O)c1cc(cc(c1OC)OC)S(=O)(=O)N	0.06	0.0
Compound_35	CC=CCSCCO	0.95	1.0
Compound_36	OCCSCCC(=C)C	0.74	1.0
Compound_37	CC(C=C)CSCCO	0.9	1.0
Compound_38	Cn1nc2c(c1)c(ccc2)NC1=NCCN1	0.04	0.0
Compound_39	OC(=O)CC[n+]1c(C=CNc2ccccc2)oc2c1cccc2	0.0	0.0
Compound_40	CC(CNCCNCCNCC(O)C)O	0.54	1.0
Compound_41	OC(=O)Cc1nn(cc1c1ccc(cc1)Cl)c1ccc(cc1)F	0.15	0.0
Compound_42	COc1cc(ccc1N=Nc1c(O)c2ccc(c(c2cc1S(=O)(=O)[O-])N=Nc1ccc(cc1C(=O)[O-])N(=O)=O)N)c1ccc(c(c1)OC)N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)[O-]	0.98	1.0
Compound_43	CCN=c1cc2oc3cc(ccc3nc2cc1C)Nc1ccccc1C	0.21	0.0
Compound_44	O=C(C(=C)C)OCCCCCCCCCCCCOC(=O)C(=C)C	0.94	1.0
Compound_45	CCN(c1ccccc1)c1nc(Cl)nc(n1)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.94	1.0
Compound_46	CCOC(=O)C(Cc1cc(OC)c(c(c1)OC)OC)C=O	0.82	1.0
Compound_47	CCC(=O)OCCC(=CC)C	0.81	1.0
Compound_48	BrCC(=O)c1ccc(c(c1)C(=O)N)OCc1ccccc1	0.67	1.0
Compound_49	NCCNCCNC(=O)c1cc2ccccc2cc1O	0.06	0.0
Compound_50	OCC(C(C(=O)NCCS(=O)(=O)[O-])O)(C)C	0.02	0.0
Compound_51	O=C1C=CNC(N1)(O)c1ccccc1	0.06	0.0
Compound_52	O=COC1CCCC=CCC1	0.99	1.0
Compound_53	C=CC(=O)N1C(=O)CCC1C(=O)O	0.04	0.0
Compound_54	CON=C(c1csc(n1)N)C(=O)Sc1nc2c(s1)cccc2	0.53	1.0
Compound_55	CCOC(=O)N1CCC(C(C1)OC)(OC)OC	0.52	1.0
Compound_56	O=C(Nc1c(Cl)cccc1Cl)CN1CCNC(C1)C(=O)N	0.0	0.0
Compound_57	CCOC(=O)C1OC1CC(CCC=C(C)C)C	0.23	0.0
Compound_58	CCOC(=O)CC1CCCCC1C(=O)C(C)C	0.78	1.0
Compound_59	CC(=O)Nc1ccc2c(c1)c(ccc2)S(=O)(=O)[O-]	0.93	1.0
Compound_60	O(P(OCC1CC2CC1C1C2C2CC1C=C2)OCC1CC2CC1C1C2C2CC1C=C2)CC1CC2CC1C=C2	0.86	1.0
Compound_61	O=C1N(CCN2CC(C)(C)NC(C2=O)(C)C)CC(NC1(C)C)(C)C	0.1	0.0
Compound_62	COc1cc(N=Nc2ccc(c3c2cc(cc3)S(=O)(=O)[O-])N=Nc2cc(ccc2S(=O)(=O)[O-])S(=O)(=O)[O-])c(cc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])NC(=O)c1ccc(cc1)N)OC	0.97	1.0
Compound_63	COC(=O)c1ccc(cc1)c1nn(c(=Cc2ccc3c([n+]2C)cccc3)s1)C	0.05	0.0
Compound_64	CCOC(=O)N1CCC(CC1)(O)c1ccc(cc1)Br	0.35	0.0
Compound_65	CCCCCCCCCCC=CCCO	0.94	1.0
Compound_66	CCC(=O)Nc1cc2c(cc1N=Nc1c(C#N)cc(cc1N(=O)=O)N(=O)=O)C(C)CC(N2CC)(C)C	0.27	0.0
Compound_67	O=C(Nc1ccccc1)NCSc1nccn1C	0.19	0.0
Compound_68	ClCC(CNc1ccccn1)OCC(CCl)O	0.07	0.0
Compound_69	N#N=C1C=Cc2c(C1=O)cccc2S(=O)(=O)Oc1c(Sc2cc3ccccc3c(c2OS(=O)(=O)c2cccc3c2C=CC(=N#N)C3=O)OS(=O)(=O)c2cccc3c2C=CC(=N#N)C3=O)cc2c(c1OS(=O)(=O)c1cccc3c1C=CC(=N#N)C3=O)cccc2	0.94	1.0
Compound_70	Oc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	0.89	1.0
Compound_71	CCCC1=NCC[N+]1(CCOCC(=O)[O-])CC(=O)[O-]	0.01	0.0
Compound_72	CCCCCCCCCCC1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2	0.29	0.0
Compound_73	COc1ccc(cc1)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)[O-]	0.91	1.0
Compound_74	CCOc1cc(ccc1C1(OC(=O)c2c1nccc2)c1c2ccccc2n(c1C)CC)N(CC)CC	0.4	0.0
Compound_75	CCOc1cc(ccc1C1(OC(=O)c2c1ccc(c2)C(=O)O)c1c(C)n(c2c1cccc2)CC)N(CC)CC	0.32	0.0
Compound_76	CCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)OC2(c1ccc(cc1OCC)N(CC)CC)c1c2ccccc2n(c1C)CC	0.48	0.0
Compound_77	CC1CCC(C(C1)(C)C)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.23	0.0
Compound_78	CCCCCC1CCC(C1)OC(=O)CCC	0.86	1.0
Compound_79	CC=Cc1ccc(c(c1)OC)OC(=O)C(=CC)C	0.11	0.0
Compound_80	O=N(=Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1ccc(c(c1)C(=O)[O-])O)c1ccc(c(c1)O)C(=O)[O-]	0.84	1.0
Compound_81	OCCNC(=O)c1cc(OC(=O)C)cc(c1)OC(=O)C	0.03	0.0
Compound_82	O=C(c1ccccc1C)NNC(=O)c1cccc2c1cccc2	0.52	1.0
Compound_83	COCCCN(c1nc(nc(n1)Cl)N(C1CC(C)(C)NC(C1)(C)C)CCCOC)C1CC(C)(C)NC(C1)(C)C	0.01	0.0
Compound_84	OC(=O)CCCc1ccc(cc1)C(=O)c1ccccc1C(=O)O	0.33	0.0
Compound_85	NNCc1cccc(c1)O	0.47	0.0
Compound_86	CCCCCCCCCCCC[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)OC(=O)C=CC(=O)OCCCCCCCCCCCCCC	0.96	1.0
Compound_87	CCCC[Sn](OC(=O)C=CC(=O)OCC)(OC(=O)C=CC(=O)OCC)OC(=O)C=CC(=O)OCC	0.97	1.0
Compound_88	CCCCCCC([Sn](OC(=O)C=CC(=O)OCCCC)OC(=O)C=CC(=O)OCCCC)CCCCCOC(=O)C=CC(=O)OCCCC	0.86	1.0
Compound_89	NC1C(C)C(C(C)C)C(C(C1C)C)N	0.66	1.0
Compound_90	CCCCCCCCCCCCCCCC=CC1=NCCN1C(N)C	0.06	0.0
Compound_91	CN(C1CCCCNC1=O)C	0.03	0.0
Compound_92	O=Cc1c2cc(C)ccc2nc2c1cccc2	0.98	1.0
Compound_93	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)C(C)(C)C)CC	0.55	1.0
Compound_94	COC(CC(CC(C)(C)C)C)OC	0.88	1.0
Compound_95	O=C(C(C)C)OC1C2(C)CCCC1(C)CC2	0.72	1.0
Compound_96	CCOC(=O)c1cnc2c(c1O)cc(c(c2)Cl)F	0.94	1.0
Compound_97	CCCCc1c(=O)n(n(c1OC(=O)Oc1n(c2ccccc2)n(c(=O)c1CCCC)c1ccccc1)c1ccccc1)c1ccccc1	0.04	0.0
Compound_98	COc1cc(N=Nc2cc(cc3c2c(O)cc(c3)S(=O)(=O)[O-])S(=O)(=O)[O-])c(cc1NC(=O)Nc1ccc2c(c1)cc(c(c2O)N=Nc1cc(ccc1OC)C(=O)[O-])S(=O)(=O)[O-])C	0.99	1.0
Compound_99	N#CCCCCN1CCCC1	0.57	1.0
Compound_100	COC1CC(CCC1O)C1CC2C(C1(C)CC2)(C)C	0.11	0.0
Compound_101	CCCCCCCCCCCC(=O)NCCOC(=O)CC(S(=O)(=O)[O-])C(=O)[O-]	0.06	0.0
Compound_102	[O-]S(=O)(=O)c1cc(cc2c1cccc2S(=O)(=O)[O-])N1N=C(C(C1=O)N=Nc1cc(ccc1S(=O)(=O)[O-])Nc1nc(F)nc(n1)Nc1ccccc1C)C	0.79	1.0
Compound_103	COc1cc2c(cc1OC)CC(=Cc1cc3CCCN4c3c(c1)CCC4)C2=O	0.27	0.0
Compound_104	NC(=O)C1CNCCN1	0.01	0.0
Compound_105	O=CC(CCC1=C(C)CCCC1(C)C)C	0.84	1.0
Compound_106	CCN(c1ccc(c(c1)O)N=Nc1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)N=Nc1ccc(cc1)N=Nc1ccc(cc1O)N(CC)CC)S(=O)(=O)[O-])CC	0.93	1.0
Compound_107	O=C(NC1C(=O)N(C1SSc1sc2c(n1)cccc2)C(=C(OS(=O)(=O)C)C)C(=O)OC(c1ccccc1)c1ccccc1)COc1ccccc1	0.62	1.0
Compound_108	C[Si](n1nnn(c1=O)c1ccccc1)(C)C	0.32	0.0
Compound_109	OCN(CCN(CO)CO)CCC[Si](OC)(OC)OC	0.39	0.0
Compound_110	CCCCCCCCCCCCCOC(=O)CC(C(=O)O)C=CCCCCCCCCCC	0.56	1.0
Compound_111	O=CC(=C(CC1C(=CCCC1(C)C)C)C)C	0.83	1.0
Compound_112	Cc1occc(=O)c1OC(=O)OCC	0.38	0.0
Compound_113	C=CCC1(C=O)C(C)CC(=CC1C)C	0.59	1.0
Compound_114	CC1(CCC=CC1C(=C)C)C=O	0.6	1.0
Compound_115	CCCCC(C=C=C(CC(C)C)C)(C=O)CC	0.57	1.0
Compound_116	ClCC(CN(CC(CCl)O)C)O	0.19	0.0
Compound_117	OCC1OC(C)(C)CCCC1C	0.43	0.0
Compound_118	Nc1ccc(c(c1)N)N=Nc1ccc(cc1C)c1ccc(c(c1)C)N=Nc1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)N=Nc1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.98	1.0
Compound_119	BrCC(c1ccc(cc1)OC)OC(C)(C)C	0.97	1.0
Compound_120	CC(C1c2ccc(cc2C(C1C)(C)C)C)C	0.99	1.0
Compound_121	CCCCOC(=O)c1ccc[n+](c1)C	0.26	0.0
Compound_122	CCC(C(=CC1CCC(=CC1)C)C)O	0.38	0.0
Compound_123	COc1cccc(c1)C1CCCCN(C1=O)C	0.06	0.0
Compound_124	CC(CCCCCCCCCCCCCCC(=O)N)C	0.53	1.0
Compound_125	Oc1ccc(cc1)N=Nc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.99	1.0
Compound_126	CCCCC(C(=O)N(CC)CC)CC	0.84	1.0
Compound_127	O=C(Nc1ccccc1S(=O)(=O)[O-])CCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC1CCCCC1	0.13	0.0
Compound_128	CCCCCCCCCCCCOCC(C[N+](CC)(CC)C)O	0.43	0.0
Compound_129	CCCCCCCCCCCCCCCC=CC1=NCC[N+]1(CCO)CC(CS(=O)(=O)[O-])O	0.17	0.0
Compound_130	CC=CC(=O)C1CC=C(CC1(C)C)C	0.91	1.0
Compound_131	CCC(=O)OC1C=CC2C34C1Oc1c4c(CC2NCC3)ccc1OC(=O)CC	0.05	0.0
Compound_132	N#CSC1CCC2C34C1Oc1c4c(CC2N(CC3)C)ccc1OC	0.02	0.0
Compound_133	Cc1ccccc1C(c1cccc(c1C(c1ccccc1C)C)O)C	0.99	1.0
Compound_134	CCC(C(COC(=O)c1cc(ccc1C(=O)OCC(C(CC)CC)C)C(=O)OCC(C(CC)CC)C)C)CC	0.51	1.0
Compound_135	CC(CCC(=CC#N)C)C	0.5	0.0
Compound_136	OCCSc1ccc(cc1N)N	0.42	0.0
Compound_137	CC(COC(=O)c1ccccc1SSc1ccccc1C(=O)OCC(C)C)C	0.65	1.0
Compound_138	CCCCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O	0.18	0.0
Compound_139	C=Cc1ccc(cc1)C=CC#N	0.97	1.0
Compound_140	O=C(NC(C(=O)O)Cc1ncn(c1)Cc1ccccc1)OCC1c2ccccc2c2c1cccc2	0.01	0.0
Compound_141	CCOc1ccc(cc1C)N=Nc1cc(OC)c(cc1OC)N=Nc1ccc(cc1)S(=O)(=O)[O-]	0.93	1.0
Compound_142	CCCCCCCCCCCCCOCCC[N+](CCO)(CCO)C	0.42	0.0
Compound_143	CCCCCCCCCCCCCCCCCc1nc2c(n1C)cccc2	0.19	0.0
Compound_144	CCCCCCCCCCC=C(C(=O)CCC(=O)O)NCC(=O)O	0.02	0.0
Compound_145	Nc1ccc(c(c1)N)N=Nc1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)[O-]	0.99	1.0
Compound_146	Clc1nc(nc(n1)N(c1ccccc1)C)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.91	1.0
Compound_147	Clc1nc(Nc2cccc(c2)S(=O)(=O)[O-])nc(n1)N(c1ccc2c(c1)cc(c(c2O)N=Nc1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-])C	0.96	1.0
Compound_148	COc1ccc(cc1)NC(=O)NC(=O)c1cccnc1	0.09	0.0
Compound_149	Cc1oc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)C	0.45	0.0
Compound_150	CCC(CC(C(=O)O)C)C	0.49	0.0
Compound_151	Nc1ccc(c(c1)N)N=Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N	0.16	0.0
Compound_152	C=CCOCC(COC(=O)C=CC(=O)OCC(COCC=C)(COCC=C)CC)(COCC=C)CC	0.75	1.0
Compound_153	CCCCCCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.49	0.0
Compound_154	N#CC(c1ccccn1)(c1ccccc1)CCN(C)C	0.02	0.0
Compound_155	CCOC(=O)On1ccc(=O)n1c1ccccc1	0.05	0.0
Compound_156	CCC(C1CCCC(C1=O)C(CC)C)C	0.93	1.0
Compound_157	COc1ccc(cc1)CCCC(=O)c1ccc(cc1)OC	0.86	1.0
Compound_158	Clc1cc(C)c2c(c1)[nH]cc2S	0.71	1.0
Compound_159	Cc1cc(N(=O)=O)c(c(c1)S(=O)(=O)[O-])Cl	0.95	1.0
Compound_160	Clc1nc(nc(n1)Nc1cccc(c1)S(=O)(=O)[O-])Nc1ccc(c(c1)S(=O)(=O)O)N=NC1C(=NN(C1=O)c1cc(cc(c1C)Nc1nc(Cl)nc(n1)Nc1cccc(c1)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)[O-]	0.62	1.0
Compound_161	FC(=CCn1c(=O)n(CC=C(F)F)c(=O)n(c1=O)CC=C(F)F)F	0.01	0.0
Compound_162	[O-]C(=O)CCCC=CCC1C(O)CC(C1C=CC(COc1cscc1)O)O	0.43	0.0
Compound_163	O=C1C=CC2(C(=C1)CCC1C2CCC2(C1CCC2C(C(=O)O)C)C)C	0.41	0.0
Compound_164	COC(=N)CC(=O)OC	0.32	0.0
Compound_165	Oc1cc(O)c(cc1N=Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccc(cc1)N(=O)=O)S(=O)(=O)[O-])N=Nc1ccc(cc1)N(=O)=O	0.98	1.0
Compound_166	CC(=O)Nc1cc(ccc1N=Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1ccc(cc1)S(=O)(=O)[O-])NC(=O)c1ccc(cc1)C(=O)Nc1ccc(c(c1)NC(=O)C)N=Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1ccc(cc1)S(=O)(=O)[O-]	0.89	1.0
Compound_167	COc1cc(ccc1NC(=O)C(C(=O)C)N=Nc1cc(cc(c1O)NC(=O)c1ccccc1)S(=O)(=O)[O-])c1ccc(c(c1)OC)NC(=O)C(C(=O)C)N=Nc1cc(ccc1O)S(=O)(=O)C	0.79	1.0
Compound_168	O=C(c1ccccc1)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccccc1Oc1ccccc1C)S(=O)(=O)[O-]	0.98	1.0
Compound_169	BrCC(C(=O)Nc1c(C)c(Nc2cc(c(c3c2C(=O)c2ccccc2C3=O)N)S(=O)(=O)[O-])c(c(c1C)S(=O)(=O)[O-])C)Br	0.81	1.0
Compound_170	CCCCCCC(=Cc1ccccc1)C(OC)OC	0.79	1.0
Compound_171	CN(c1ccc(cc1)N=Nc1nncn1C)Cc1ccccc1	0.15	0.0
Compound_172	CCc1cc(C=O)cc(c1O)CC	0.96	1.0
Compound_173	O=C1OCCC1N(C(=O)C1CC1)c1cccc(c1)Cl	0.12	0.0
Compound_174	Fc1ccc(cc1CC#N)F	0.83	1.0
Compound_175	CC(CCc1ccc(cc1)O)O	0.93	1.0
Compound_176	Cc1ccc(c(c1)S(=O)(=O)[O-])Nc1cc(C)c2c3c1c(=O)c1c(c3c(c(=O)[nH]2)C(=O)c2ccccc2)cccc1	0.75	1.0
Compound_177	[O-]C(=O)c1cc(N=Nc2ccc(c(c2)N=Nc2c(O)c3c(cc2S(=O)(=O)[O-])cc(cc3NS(=O)(=O)c2ccc(c(c2)C(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-])ccc1O	0.62	1.0
Compound_178	ClC1CCCC1C(=O)C1CCCC1Cl	0.98	1.0
Compound_179	CCOC(=O)CC(Nc1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1N(=O)=O)N(=O)=O)C	0.19	0.0
Compound_180	NCC(CC(CCNS(=O)(=O)c1ccc(cc1)C)C)(C)C	0.07	0.0
Compound_181	CO[Si](CCc1ccc(cc1)S(=O)(=O)N=N#N)(OC)OC	0.47	0.0
Compound_182	CCO[Si](OCC)(OCC)CCCNC(=O)OC1CC(C)CCC1C(C)C	0.51	1.0
Compound_183	CCN(c1ccc(cc1C)[N+]#N)CC	0.7	1.0
Compound_184	CCO[SiH2]C=C	0.95	1.0
Compound_185	ClCC(=O)CC(=O)OC(C)C	0.84	1.0
Compound_186	CC(CC(C)(C)C)Cc1ccc(cc1)Nc1ccccc1	0.99	1.0
Compound_187	CCOC(c1ccccc1)CCC#N	0.97	1.0
Compound_188	O=C1N(SC2CCCCC2)C(=O)C2C1CCCC2	0.21	0.0
Compound_189	N#CC(c1nc(=O)c2c([nH]1)cccc2)N=Nc1cccc2c1C(=O)c1c(C2=O)cccc1	0.05	0.0
Compound_190	CC(OCCOCCOC(C)C)C	0.82	1.0
Compound_191	Clc1nc(nc(n1)Nc1cccc(c1)S(=O)(=O)O)Nc1ccc(c(c1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1cc(ccc1S(=O)(=O)O)Nc1nc(Cl)nc(n1)Nc1cccc(c1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O	0.97	1.0
Compound_192	O=C1CC2=CCCC(C2CC1(C)C)(C)C	0.86	1.0
Compound_193	C=CC(CCC=C(CC(C=O)C)C)C	0.21	0.0
Compound_194	CCOC(OCCC(=C)C1CCC(=CC1)C)C	0.95	1.0
Compound_195	CCCCCCC(c1cc(OC(=O)C=CC)c(cc1N(=O)=O)N(=O)=O)C	0.92	1.0
Compound_196	O=C(c1ccccc1O)OCC=Cc1ccccc1	0.98	1.0
Compound_197	C=CC(OC(=O)CCc1ccccc1)(CCC=C(C)C)C	0.28	0.0
Compound_198	CCC(=O)C1CC(CCC1C)C(C)C	0.94	1.0
Compound_199	CC(=O)OC(Cc1ccc(cc1)C)(C)C	0.87	1.0
Compound_200	CC(OP(=O)([O-])[O-])CC(C)C	0.88	1.0
Compound_201	O=C(Nc1ccc(c2c1ccc(c2)S(=O)(=O)[O-])N=Nc1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)[O-])Nc1ccc(c2c1ccc(c2)S(=O)(=O)[O-])N=Nc1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)[O-]	0.96	1.0
Compound_202	O=C=NCCCCC(CC(CN=C=O)C)C	0.5	0.0
Compound_203	CC1=NN(C(=O)C1N=Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1cc(cc(c1O)N(=O)=O)S(=O)(=O)[O-])S(=O)(=O)[O-])c1ccccc1	0.93	1.0
Compound_204	CCCCCCCCCCCCN(C(=N)N)CCCNC(=N)N	0.55	1.0
Compound_205	O=C1c2cc3c(cc2C(=O)c2c1cccc2)nc(nc3Nc1cc2c(c3c1C(=O)c1ccccc1C3=O)[nH]c1c(c2=O)cccc1)c1ccc(cc1)c1ccccc1	0.04	0.0
Compound_206	CC1=NNC(=O)C1C=C1C(=O)NN=C1C	0.11	0.0
Compound_207	CC(CC(CC(C=CCC1CC(=O)OC1=O)C)C)C	0.43	0.0
Compound_208	CCCCCC#CC(=O)OCCC=CCC	0.97	1.0
Compound_209	COc1cc(ccc1N=NC(C(=O)Nc1ccccc1Cl)C(=O)C)c1ccc(c(c1)OC)N=NC(C(=O)Nc1ccccc1Cl)C(=O)C	0.47	0.0
Compound_210	CCCCCCC(OC(=O)C)CCCCCCCCCCC(=O)OCCOC	0.61	1.0
Compound_211	CC[N+]1=C(C=Cc2c(=O)on(c2c2ccccc2)C)C(c2c1ccc(c2)S(=O)(=O)c1ccccc1)(C)C	0.16	0.0
Compound_212	C=CCCCCc1ccccn1	0.85	1.0
Compound_213	CC(C#N)CC[Si]1(C)O[Si](C)(CCC(C#N)C)O[Si](O[Si](O1)(C)CCC(C#N)C)(C)CCC(C#N)C	0.78	1.0
Compound_214	Clc1nc(nc(n1)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)[O-])Nc1ccc(c2c1c(ccc2)S(=O)(=O)[O-])N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)[O-])N=Nc1cc2c(c(c1)S(=O)(=O)[O-])cccc2S(=O)(=O)[O-]	0.94	1.0
Compound_215	CN1C(=S)N(C(=CC=C2CCC(N2C)(C)C)C1=O)C	0.12	0.0
Compound_216	CCN(c1ccc(c(c1)C)N=Nc1ccc(cc1C#N)N(=O)=O)CC[N+](C)(C)C	0.58	1.0
Compound_217	Cc1ccc(cc1)N1N=C(CC1C)C1=[N+](C)c2c(C1(C)C)cccc2	0.34	0.0
Compound_218	CC(Nc1ccc2c(c1N=Nc1ccc(c(c1)C)N=Nc1cccc(c1)C)cccc2)C	0.52	1.0
Compound_219	ClC1(Cl)CCCC2(C1O2)Cl	0.76	1.0
Compound_220	CCN(c1ccc(cc1)C(c1ccc(cc1C)N(Cc1ccccc1S(=O)(=O)O)CC)c1ccc(cc1C)N(Cc1ccccc1S(=O)(=O)O)CC)CC	0.87	1.0
Compound_221	CCOP(=S)(OC(CC)C)S	0.8	1.0
Compound_222	CCCC[Sn](OS(=O)(=O)CC)(CCCC)CCCC	0.79	1.0
Compound_223	CSCCC(C(=O)OCc1ccccc1)N	0.14	0.0
Compound_224	CNc1ccc(cc1N(=O)=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1	0.17	0.0
Compound_225	C#CCOP(=O)(OCC#C)OCC	0.97	1.0
Compound_226	COC1=C(C)CC=CC1	0.32	0.0
Compound_227	CCCOCC#CCOCCC	0.97	1.0
Compound_228	CO[Si](CCCN=C(N(C)C)N(C)C)(OC)OC	0.15	0.0
Compound_229	CCC1(CCCCN(C1=O)C)c1cccc(c1)OC	0.15	0.0
Compound_230	CCC1(CCCCN(C1=O)C)c1cccc(c1)O	0.08	0.0
Compound_231	CCCCCC(C1CCCO1)O	0.91	1.0
Compound_232	CCC#CCC1(CCCC1=O)C(=O)OC	0.68	1.0
Compound_233	CCCCCCC#CC(=O)OCCC=CCC	0.96	1.0
Compound_234	Oc1c(C)nc(c2c1COC2)Cc1ccccc1	0.64	1.0
Compound_235	CC(C1(CCCCC1)C(=O)N1CCCC1)C	0.54	1.0
Compound_236	O=C1C=CC2(C(=C1)C(F)CC1C2(F)C(O)CC2(C1CC(C2(O)C(=O)COC(=O)c1ccccc1O)C)C)C	0.19	0.0
Compound_237	Oc1c2c(cc(c1N=Nc1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-])cc(c(c2O)N=Nc1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.98	1.0
Compound_238	CCCCNC(=O)c1cc(ccc1OCC#C)N(=O)=O	0.23	0.0
Compound_239	CC(C(=C)C1C(=CCCC1C#N)C)C	0.92	1.0
Compound_240	OCCCC(=CCCC(C=C)C)C	0.67	1.0
Compound_241	CCCC=CC(=O)OCCC(C)C	0.96	1.0
Compound_242	CCN(CC(COCCCCCCOCC(CN(CC)CC)O)O)CC	0.12	0.0
Compound_243	CCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCC	0.12	0.0
Compound_244	CCCCCOC1CCCCC1O	0.97	1.0
Compound_245	CCCCCCCCCCOC1CCCCC1O	0.96	1.0
Compound_246	Nc1cccc(c1)C(=O)Nc1ccc(c2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O	0.91	1.0
Compound_247	C=CC(c1cccnc1)(c1ccc(cc1)Br)O	0.95	1.0
Compound_248	CC1=CCC(CC1)C(OC(=O)c1ccccc1)(C)C	0.43	0.0
Compound_249	CCCCCCCC(=O)OC(C1CCC(=CC1)C)(C)C	0.67	1.0
Compound_250	CCN(c1ccc(cc1)N=Nc1ccc(c2c1cccc2)N=Nc1cccc(c1)S(=O)(=O)[O-])Cc1ccc(cc1)S(=O)(=O)[O-]	0.88	1.0
Compound_251	CC(C1=Cc2ccccc2OC21C=Cc1c(O2)cc(cc1)N(Cc1ccccc1)Cc1ccccc1)C	0.67	1.0
Compound_252	CC[n+]1c(C=CC=c2ccn(c3c2cccc3)CC)sc2c1c1ccccc1cc2	0.13	0.0
Compound_253	[O-]CCCCCCC	0.93	1.0
Compound_254	COc1cc2C=C(CCc2c(c1OC)OC)C(=O)O	0.12	0.0
Compound_255	OCCN(c1ccc(cc1)C(=O)c1ccc(cc1)N(CCO)C)C	0.11	0.0
Compound_256	OCC(CNc1cccc2c1cccc2)O	0.03	0.0
Compound_257	CCc1cc(C)c(c(c1Nc1cc(Oc2ccccc2)c(c2c1C(=O)c1ccccc1C2=O)N)CC)S(=O)(=O)[O-]	0.95	1.0
Compound_258	CC=Cc1cc(C=CC)c(cc1C=CC)C=CC	0.96	1.0
Compound_259	Clc1nc(Nc2ccc(c(c2)N=NC2C(=NN(C2=O)c2ccc(cc2)S(=O)(=O)[O-])C)S(=O)(=O)[O-])nc(n1)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)[O-]	0.5	0.0
Compound_260	CC(=O)Nc1cc(ccc1N=Nc1c(Br)cc(cc1N(=O)=O)N(=O)=O)N(CCOc1ccccc1)CCOc1ccccc1	0.25	0.0
Compound_261	CC(C(=O)OC(C(Cl)(Cl)Cl)c1ccccc1)C	0.97	1.0
Compound_262	CCCCCCCCCCCCC(OCC)OCC	0.95	1.0
Compound_263	O=N(=O)c1cc(ccc1C(c1ccc(cc1N(=O)=O)N(=O)=O)[n+]1ccc(cc1)C(C)(C)C)N(=O)=O	0.92	1.0
Compound_264	O=C1c2ccccc2C(=O)c2c1c1oc(nc1cc2)c1ccc(cc1)c1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)c1nc2c(o1)c1C(=O)c3ccccc3C(=O)c1cc2	0.13	0.0
Compound_265	CCCCCCCOC(=O)OCCOCCOCCOC(=O)OCCCCCCC	0.84	1.0
Compound_266	O=C(N1CCNCC1)OCC(O)(C)C	0.02	0.0
Compound_267	OCC(C1CCC2C1(C)CCC1C2CCC2=CC(=O)C=CC12C)C	0.15	0.0
Compound_268	CC(CCC=C(C)C)CCOC(=O)CCC(C)C	0.63	1.0
Compound_269	CCCCCCC(=O)Oc1ccc(cc1)C	0.95	1.0
Compound_270	CC(CCC(=O)OC1CCCCC1)C	0.9	1.0
Compound_271	c1ccc(cc1)c1nn2c(nc1c1ccccc1)nc(c2c1ccccc1)c1ccccc1	0.74	1.0
Compound_272	CCCCCCCCCCc1c(cccc1S(=O)(=O)[O-])Oc1cccc(c1CCCCCCCCCC)S(=O)(=O)[O-]	0.76	1.0
Compound_273	[O-]C(=O)c1cc2ccccc2c(c1O)c1c(O)c(cc2c1cccc2)C(=O)[O-]	0.91	1.0
Compound_274	CCOc1cc(N)c(cc1NC(=O)c1ccc(cc1)N)OCC	0.63	1.0
Compound_275	BrCOc1cccc(c1)O	0.93	1.0
Compound_276	Cc1ccc(cc1)C1(CC=Cc2c1c(N)ccc2)S(=O)(=O)O	0.81	1.0
Compound_277	CCCCCCCCCCCCCC[N+](Cc1ccc(cc1)CC)(C)C	0.24	0.0
Compound_278	CN(CCCNC(=O)CCS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(cc1)Cl)C	0.05	0.0
Compound_279	CCN(c1ccc(c(c1)C)N=Nc1cc(Cl)ccc1C#N)CC[N+](C)(C)C	0.28	0.0
Compound_280	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)N(CC)CC)CC	0.47	0.0
Compound_281	OCC(=O)Nc1cccc(c1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.55	1.0
Compound_282	OCC(=O)Nc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.71	1.0
Compound_283	CC(=O)NC1CCC(CC1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.36	0.0
Compound_284	CC=C(CCOC(=O)c1ccccc1)C	0.88	1.0
Compound_285	COc1cc(C=O)ccc1O[Si](OC)(OC)C	0.97	1.0
Compound_286	C#CC(OC(OC(C#C)(C)C)(OC(C#C)(C)C)[SiH3])(C)C	0.86	1.0
Compound_287	COC([SiH2]OC(CCCC(C=C)C)(C)C)OC	0.94	1.0
Compound_288	CCCC[Sn](SCCC(=O)OCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCC)SCCC(=O)OCCCCCCCCCC	0.95	1.0
Compound_289	CCCC(CC(CC(C)C)(S)C)C	0.92	1.0
Compound_290	Clc1nc(nc(n1)Nc1ccccc1S(=O)(=O)[O-])Nc1c(C)c(Nc2cc(c(c3c2C(=O)c2ccccc2C3=O)N)S(=O)(=O)[O-])c(c(c1C)S(=O)(=O)[O-])C	0.97	1.0
Compound_291	CCCCCCCCCCCCCCC#CCCCCCCCCCCCCC	0.97	1.0
Compound_292	O=C1C(=Cc2ccc(cc2)S(=O)(=O)[O-])Sc2c1ccc(c2)S(=O)(=O)[O-]	0.75	1.0
Compound_293	O=COC1C=C(C)CCC1C(C)C	0.07	0.0
Compound_294	NC(=O)NC(=O)NC(=O)C(=O)N	0.04	0.0
Compound_295	O=C1CCNc2c1cccc2	0.09	0.0
Compound_296	CCCCOC(=O)CC(OOC(C)(C)C)(OOC(C)(C)C)CC	0.92	1.0
Compound_297	CCCCCCCCCCC(C(=O)O)SCCCC	0.92	1.0
Compound_298	N#[N+]c1cccc(c1N)N(C)C	0.83	1.0
Compound_299	Nc1ccccc1C(=O)c1ccc(c2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O	0.95	1.0
Compound_300	Nc1ccccc1C(=O)c1cc(cc2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O	0.96	1.0
Compound_301	CCCCCCCC[Si](CCCCCCCC)(CCCCCCCC)Br	0.99	1.0
Compound_302	O=C(C1CCCCC1C(=O)[O-])OC(COC(=O)C1CCCCC1C(=O)O)COC(=O)C1CCCCC1C(=O)[O-]	0.53	1.0
Compound_303	CC(=O)CCC(=O)C1CC2CC1C=C2	0.78	1.0
Compound_304	Cc1cc(ccc1Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-])C(C)(C)C	0.92	1.0
Compound_305	Cc1ccc(c(c1C)O)c1c(O)ccc(c1C)C	1.0	1.0
Compound_306	OCC1C(=CCC2C1C2(C)C)C	0.62	1.0
Compound_307	N#CN1CCOCCOCCOCCOCCOCC1	0.04	0.0
Compound_308	CCOC(=O)N1CCC(CC1)(Nc1ccc(cc1)F)C(=O)N	0.01	0.0
Compound_309	CCOC(=O)C1CC2CC1CC2C	0.89	1.0
Compound_310	CCCCCCCCCCCCCCCCCCOCN(c1nc(nc(n1)N(COCC[N+](CCO)(CCO)C)COC)N(COC(=O)C)COCCCCCCCCCCCCCCCCCC)COC	0.04	0.0
Compound_311	CCOc1cc(N)cc(c1O)C	0.57	1.0
Compound_312	CCCNCC(CO)O	0.34	0.0
Compound_313	NCCCCC(C(=O)OCCN)N	0.28	0.0
Compound_314	COc1cc(N=Nc2ccc(c(c2)C(=O)[O-])O)c2c(c1N=Nc1c(O)cc(c3c1ccc(c3)NC(=O)C(C(=O)C)N=Nc1ccccc1C(=O)[O-])S(=O)(=O)[O-])ccc(c2)S(=O)(=O)[O-]	0.95	1.0
Compound_315	Clc1cc(c(cc1n1[nH]c2c(c1=O)cc(cc2N(=O)=O)N(=O)=O)Cl)S(=O)(=O)[O-]	0.64	1.0
Compound_316	COc1ccc2c(c1)c1c(C)cc(c(c1[nH]2)C)C=O	0.99	1.0
Compound_317	OC=C1CC(C)c2c(C1=O)[nH]c1c2cc(cc1)OC	0.85	1.0
Compound_318	CCOC(=O)C(c1nc2c(n1C)c(=O)n(c(=O)n2C)C)C#N	0.02	0.0
Compound_319	CCCCOC(=O)CC(C(=O)OCCCC)SP(=S)(OCCC)OCCC	0.91	1.0
Compound_320	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])C=Cc2ccc(cc2S(=O)(=O)[O-])Nc2nc(Nc3cccc(c3)S(=O)(=O)[O-])nc(n2)N(CCO)C)nc(n1)Nc1cccc(c1)S(=O)(=O)[O-])C	0.27	0.0
Compound_321	CC(=N)NOC(=O)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2	0.09	0.0
Compound_322	N#[N+]c1ccc(cc1Cl)N=Nc1ccc(cc1)N(=O)=O	0.99	1.0
Compound_323	O=C1NC(=O)C(C(=O)N1Cc1ccccc1)c1ccccc1	0.0	0.0
Compound_324	O=COC1C2(C)CCCC1(C)CC2	0.85	1.0
Compound_325	CCCCCCCCCCC(CN(CCC(=O)[O-])CCO)O	0.11	0.0
Compound_326	Nc1ccc(c(c1)N)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)[O-]	0.98	1.0
Compound_327	N#N=C1C=C(c2c(C1=O)cccc2)S(=O)(=O)Oc1c(ccc(c1OS(=O)(=O)C1=CC(=N#N)C(=O)c2c1cccc2)C(=O)c1ccccc1)OS(=O)(=O)C1=CC(=N#N)C(=O)c2c1cccc2	0.87	1.0
Compound_328	CCC(NC(=O)c1cc(NC)c2c(c1N)C(=O)c1c(C2=O)cccc1)NC1CCCC(C1)C	0.12	0.0
Compound_329	CCOC(=O)C1CC2CC(C1CC2C)C(C)C	0.9	1.0
Compound_330	COc1cc(ccc1OC)c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	0.66	1.0
Compound_331	O=C1c2cccc(c2C(=O)c2c1c(ccc2)NC(=O)c1ccccc1)Nc1nc(nc(n1)Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	0.29	0.0
Compound_332	CCC(c1ccc(cc1)OCC1OC1)(c1ccc(cc1)OCC1OC1)c1ccc(cc1)OCC1OC1	0.95	1.0
Compound_333	CCCCCC=CCCCCC	0.74	1.0
Compound_334	CCC1=C(CC)C(C(CC1=O)(C)C)(C)CC	0.92	1.0
Compound_335	CCCCCCCCCCCCCCCCCCCCCCc1ccccc1	0.95	1.0
Compound_336	CCCCCc1ccc(cc1)Oc1ccccc1N=Nc1c(O)c2c(ccc(c2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)COc1cccc(c1)NC(=O)CCl	0.66	1.0
Compound_337	CCN(c1ccc(cc1)N=Nc1ccc(c2c1cccc2)N=Nc1cccc(c1)S(=O)(=O)[O-])Cc1cccc(c1)S(=O)(=O)[O-]	0.89	1.0
Compound_338	CCCCCCCCCCC=CC(C(=O)N1CCCCC1)CC(=O)O	0.1	0.0
Compound_339	COc1cc(N=Nc2cccc(c2)S(=O)(=O)[O-])ccc1NC(=O)NNc1cc(C)c(cc1OC)N=Nc1cccc(c1)S(=O)(=O)[O-]	0.93	1.0
Compound_340	CCOc1ccc(cc1)N=Nc1ccc(cc1)N=Nc1cc(ccc1Cl)S(=O)(=O)[O-]	0.98	1.0
Compound_341	[O-]S(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1cc(ccc1S(=O)(=O)[O-])Nc1nc(F)nc(c1Cl)F)N)O)N=Nc1cc(ccc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]	0.94	1.0
Compound_342	COC(CCC(C(OC)OC)C)OC	0.48	0.0
Compound_343	CC1=NN(C(=N)C1N=Nc1ccc(cc1N(=O)=O)S(=O)(=O)C)c1ccccc1	0.41	0.0
Compound_344	CCC(=O)C(=CC1CCC(=CC1)C)C	0.45	0.0
Compound_345	CCOc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)C(c1ccc(c(c1)OCC)N=Nc1c(O)ccc2c1cccc2)c1ccccc1	0.15	0.0
Compound_346	CCCCCCCCCCCCCCCCCc1[nH]c2c(n1)c(ccc2)S(=O)(=O)[O-]	0.38	0.0
Compound_347	CCCCCC(=O)CC(=O)OC(COC(=O)CC(=O)CCCCC)COC(=O)CC(=O)CCCCC	0.07	0.0
Compound_348	CCCCCCCCCCCCc1ccccc1C[n+]1cccc2c1cccc2	0.37	0.0
Compound_349	O=C1c2cccc(c2C(=O)c2c1c(ccc2)NC(=O)c1ccccc1)Nc1nc(Oc2ccccc2)nc(n1)Nc1cccc2c1C(=O)c1ccccc1C2=O	0.25	0.0
Compound_350	CCOc1cc(N=Nc2ccc(c(c2)OC)N)c2c(c1N=Nc1c(O)ccc3c1ccc(c3)S(=O)(=O)[O-])ccc(c2)S(=O)(=O)[O-]	0.99	1.0
Compound_351	CCOc1cc(N=Nc2cc(OC)c(cc2Cl)N)c2c(c1N=Nc1c(O)ccc3c1ccc(c3)S(=O)(=O)[O-])ccc(c2)S(=O)(=O)[O-]	0.99	1.0
Compound_352	COc1cc(N=Nc2ccc(cc2)N=Nc2c(O)c3c(N)cc(cc3cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c(cc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])C	0.97	1.0
Compound_353	CCC(c1ccc2c(c1)c(C)ccc2)C	0.97	1.0
Compound_354	CC(=O)C(C(=O)Nc1ccc(c(c1)C(=O)[O-])O)N=Nc1ccc(cc1C(=O)[O-])c1ccc(c(c1)C(=O)[O-])N=Nc1c(O)c2ccc(c(c2cc1S(=O)(=O)[O-])N=Nc1cc(ccc1O)S(=O)(=O)N)Nc1ccccc1	0.74	1.0
Compound_355	Clc1nc(nc(n1)Nc1cccc(c1)S(=O)(=O)[O-])Nc1ccc(c(c1)N=NC1C(=NN(C1=O)c1cc(Cl)c(cc1Cl)S(=O)(=O)[O-])C)S(=O)(=O)[O-]	0.73	1.0
Compound_356	CCCCCCCCCCc1ccccc1Oc1ccccc1	0.83	1.0
Compound_357	C=C1CCC(O)C(CCC2C1CC2(C)C)C	0.06	0.0
Compound_358	Nc1ccc(c(c1)N)N=Nc1cc2c(cc1S(=O)(=O)[O-])cc(c(c2O)N=Nc1ccc(c2c1cccc2)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.98	1.0
Compound_359	C=CC1C[N+]2(CCC1CC2C(c1ccnc2c1cccc2)O)Cc1ccccc1	0.03	0.0
Compound_360	Cc1ccc(cc1)S(=O)(=O)N(c1ccccc1O)C(=O)C	0.83	1.0
Compound_361	Clc1ccc2c(c1)C(c1c(O2)ccc(c1)Cl)c1ccccc1C(=O)[O-]	0.96	1.0
Compound_362	Clc1ccc(cc1)CCCC(=O)c1ccc(cc1)Cl	0.94	1.0
Compound_363	CCCCCCCCCC(=O)OCCOCCOCCO	0.96	1.0
Compound_364	CCCCCCCC[Sn]1(OC(=O)C=CC(=O)O[Sn]2(CCCCCCCC)OC(=O)C=CC(=O)O2)OC(=O)C=CC(=O)O1	0.93	1.0
Compound_365	OC1(CCCCC1)C1CC2C(C1(C)CC2)(C)C	0.11	0.0
Compound_366	CCN(c1ccc(cc1)N=NC1N(C)C=N[NH+]1C)Cc1ccccc1	0.14	0.0
Compound_367	COc1ccc(c(c1)S(=O)(=O)[O-])N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])N(c1nc(Cl)nc(n1)OC)C	0.98	1.0
Compound_368	COc1ccc(cc1)N=Nc1c(O)c(N=Nc2ccc(cc2)Nc2ccc(cc2S(=O)(=O)[O-])N(=O)=O)cc(c1O)N=Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.98	1.0
Compound_369	Oc1cc(O)c(cc1N=Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)[O-])N(=O)=O)S(=O)(=O)[O-])N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)[O-])N(=O)=O	0.97	1.0
Compound_370	BrC(=C)C(=O)Nc1ccc(c(c1)S(=O)(=O)[O-])N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)[O-]	0.97	1.0
Compound_371	CCOc1ccc(cc1S(=O)(=O)[O-])N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])NC(=O)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.98	1.0
Compound_372	CC(=O)Nc1nnc(s1)SCC#C	0.19	0.0
Compound_373	CCCO[Si](CC(CNCCN)C)(OCCC)C	0.1	0.0
Compound_374	C=CC(C(=O)C)(CC=C(C)C)C	0.7	1.0
Compound_375	CCOC[SiH](NCCC[Si](OCC)(OCC)OCC)NCCC[Si](OCC)(OCC)OCC	0.71	1.0
Compound_376	CCOC[SiH](OC(=C)C)OC(=C)C	0.89	1.0
Compound_377	CCOP(=O)(C(=O)c1c(C)cc(cc1C)C)c1ccccc1	0.98	1.0
Compound_378	C=CC[N+]1=C(SC(=C(c2ccccc2)C=c2sc3c(n2CC)cccc3)C1=O)C=c1sc(c(n1CC)c1ccccc1)c1ccccc1	0.2	0.0
Compound_379	CCCCCc1ccccc1c1ccccc1	0.85	1.0
Compound_380	CCCCCCCCCc1ccccc1c1ccccc1	0.86	1.0
Compound_381	CCCCCCCCCCCC(C(=O)O)CC	0.96	1.0
Compound_382	CCCC(C(COC(=O)CO)CC)OC(=O)CO	0.59	1.0
Compound_383	O=C(C(=O)Nc1ccc(c(c1)S(=O)(=O)O)N)Nc1ccc(c(c1)S(=O)(=O)O)N	0.49	0.0
Compound_384	O=C1CC(=NN1Cc1ccc(cc1)S(=O)(=O)O)C(=O)O	0.1	0.0
Compound_385	[O-]C(=O)C(=O)Nc1cccc(c1)N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])Nc1ccc2c(c1)cc(c(c2O)N=Nc1cccc(c1)NC(=O)C(=O)[O-])S(=O)(=O)[O-]	0.95	1.0
Compound_386	Clc1cc(N=Nc2c(N)ccc3c2c(O)cc(c3)S(=O)(=O)[O-])c(cc1C)S(=O)(=O)[O-]	0.99	1.0
Compound_387	CCO[Si](OCC)(OCC)CCCNC(=O)NC(c1ccccc1)C	0.52	1.0
Compound_388	CC(N(CC(COc1ccc(cc1)NC(=O)C)O)CC(COc1ccc(cc1)NC(=O)C)O)C	0.01	0.0
Compound_389	CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCC	0.9	1.0
Compound_390	N#CCC(CCCC(OC)(C)C)C	0.72	1.0
Compound_391	O=C(c1ccc(cc1)N=Nc1cc(N=Nc2cc(N=Nc3ccc(c(c3)C(=O)[O-])O)ccc2O)c(cc1O)O)Nc1ccc(cc1)N=NC1C(=O)NN=C1C	0.03	0.0
Compound_392	CCCCC(C[N+](CC)(C)C)CC	0.51	1.0
Compound_393	CCCCCCCCC=CCCCCCCCC(=O)OC(CCC)N	0.53	1.0
Compound_394	COC(c1ccccc1OC)OC	0.83	1.0
Compound_395	COc1ccccc1COC(=O)CC(C)C	0.34	0.0
Compound_396	O=COC(CCCC(=C)C=C)(C)C	0.51	1.0
Compound_397	CC(=O)OCCCCCC(C)(C)C	0.92	1.0
Compound_398	COC(=O)c1ccc2c(c1)n(CCCCS(=O)(=O)[O-])c(=Cc1ccc3c([n+]1C)cccc3)s2	0.57	1.0
Compound_399	CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)Nc1cccc(c1)C)CC	0.59	1.0
Compound_400	ClCC(C[N+](CC(CCl)O)(CC)CC)O	0.1	0.0
Compound_401	CCCCCCCCC(COC(=O)C=CC(=O)OCC(CCCCCCCC)CCCCCC)CCCCCC	0.9	1.0
Compound_402	C#CCOC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl)C	0.85	1.0
Compound_403	CCCCCC(=O)CC=CC(=O)OC	0.92	1.0
Compound_404	CCN(c1ccc(cc1)N=Nc1cc(Cl)c(cc1Cl)S(=O)(=O)N(C)C)CC[n+]1ccccc1	0.78	1.0
Compound_405	Cc1csc(=CC=Cc2oc3c([n+]2Cc2ccccc2)cccc3)n1Cc1ccccc1	0.02	0.0
Compound_406	OC(=O)C(Cc1ccc(cc1Cl)Cl)O	0.6	1.0
Compound_407	OC(=O)C(Cc1ccc(c(c1)Cl)Cl)O	0.6	1.0
Compound_408	O=C1NC(O)(NC=C1N(=O)=O)c1ccccc1	0.07	0.0
Compound_409	COc1ccc(cc1F)CCC(=O)O	0.66	1.0
Compound_410	OCCS(=O)(=O)c1cc(N)ccc1OC	0.39	0.0
Compound_411	COc1cc(N=Nc2cccc(c2)S(=O)(=O)[O-])ccc1N=Nc1ccc(cc1)O	0.96	1.0
Compound_412	COc1cc(N=Nc2ccc(c(c2)C(=O)O)O)c2c(c1[N+]#N)cccc2	0.09	0.0
Compound_413	O=C(Nc1ccc2c(c1)cc(c(c2O)N=Nc1cccc(c1)NC(=O)C(=O)[O-])S(=O)(=O)[O-])Nc1ccc2c(c1)cc(c(c2O)N=Nc1cccc(c1)NC(=O)C(=O)[O-])S(=O)(=O)[O-]	0.96	1.0
Compound_414	CC1=CCC2C(C1C1(C)OCCO1)C2(C)C	0.62	1.0
Compound_415	CCCCCCCCCCCC1CC(=C(C1)O[Si](C)(C)C)O[Si](C)(C)C	0.81	1.0
Compound_416	CCCCCCCCCc1ccc(c(c1CCCCCCCCC)O)S(=O)(=O)O	0.35	0.0
Compound_417	Oc1ccc(cc1C=Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N=Cc1cc(Br)ccc1O)Br	0.7	1.0
Compound_418	Oc1c(Br)cc(cc1Br)C(c1ccccc1S(=O)(=O)O)(c1cc(Br)c(c(c1)Br)O)O	0.7	1.0
Compound_419	CC(=O)OC(CC(CC(C)(C)C)C)C	0.88	1.0
Compound_420	O=C1c2cccc(c2Cc2c1cccc2N(=O)=O)N(=O)=O	0.99	1.0
Compound_421	CCC(C(=O)C)C(=O)[O-]	0.33	0.0
Compound_422	COc1ccc(cc1OP(=O)(O)O)C1CC(=O)c2c(O1)cc(cc2OP(=O)(O)O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O	0.03	0.0
Compound_423	CCCCCCCCCCCCCCCCCC(=O)OCC(C(C(C(CN)O)O)O)O	0.08	0.0
Compound_424	CN1CCC(C1)(C)CN1c2ccccc2Sc2c1cccc2	0.02	0.0
Compound_425	COc1ccccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)NC(=O)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc2c(c1)ccc(c2)S(=O)(=O)O)S(=O)(=O)[O-]	0.98	1.0
Compound_426	O=c1c2ccc(c3c2c(c2c1cccc2)nn3C(C)C)c1ccc2c3c1n(nc3c1c(c2=O)cccc1)C(C)C	0.8	1.0
Compound_427	CCC=C(c1ccc(cc1)Cl)Cl	0.84	1.0
Compound_428	O=CC(=C(c1ccc(cc1)F)Cl)C	0.62	1.0
Compound_429	CCC=C(c1ccc(cc1)F)Cl	0.95	1.0
Compound_430	CCOc1cc(ccc1C1(OC(=O)c2c1cc(cc2)C(=O)O)c1c2ccccc2n(c1C)CC)N(CC)CC	0.32	0.0
Compound_431	CCOC(=O)c1ccc2c(c1)C(=O)OC2(c1ccc(cc1OCC)N(CC)CC)c1c2ccccc2n(c1C)CC	0.73	1.0
Compound_432	O=C(C(=C)Cl)NCc1c(C)cc(c(c1C)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-])C	0.77	1.0
Compound_433	CCCCCCCCCCCCCCCCCCOC(=O)CC#N	0.97	1.0
Compound_434	OCC1COC(O1)CC1OCC(O1)CO	0.68	1.0
Compound_435	CCCC(=O)OC(Cc1ccccc1)C	0.96	1.0
Compound_436	CCCCCCC(CC(=O)O)COC(=O)C	0.29	0.0
Compound_437	[O-]S(=O)(=O)c1ccc(c2c1cccc2)N=Nc1c(O)c2cc(N=Nc3cc(N)c(c(c3)N)N=Nc3ccc(cc3C)c3ccc(c(c3)C)N=Nc3ccc(c(c3)C(=O)[O-])O)c(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.96	1.0
Compound_438	COC(c1ccccc1)CCC#N	0.79	1.0
Compound_439	CCCCCCCCCCCCOCCOCCC#N	0.92	1.0
Compound_440	O=S(=O)(c1ccccc1S(=O)(=O)[O-])c1ccccc1S(=O)(=O)[O-]	0.57	1.0
Compound_441	Clc1cc(ccc1c1ccc(cc1Cl)N=Nc1ccc(c(c1)C(=O)[O-])O)N=NC1(N)C=Cc2c(C1)c(O)cc(c2)S(=O)(=O)[O-]	0.95	1.0
Compound_442	CCOc1cc(ccc1O)C1OCC(CO1)(C)C	0.68	1.0
Compound_443	CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(cc1C(=O)O)C(=O)O	0.9	1.0
Compound_444	CC1=NN(C(=O)C1N=Nc1cc(ccc1S(=O)(=O)[O-])NC(=O)C(=C)Br)c1cc(Cl)c(cc1Cl)S(=O)(=O)[O-]	0.87	1.0
Compound_445	CC(CC(CC(OC(=O)C)CC(C)C)C)C	0.84	1.0
Compound_446	O=C(c1cccnc1)OCCc1ccccc1	0.31	0.0
Compound_447	CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Oc1ccc(cc1)CC(CC)C	0.92	1.0
Compound_448	CCCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCCC)CC)CC	0.98	1.0
Compound_449	[O-]S(=O)(=O)c1ccc2c(c1)c(N=Nc1cc(ccc1S(=O)(=O)[O-])S(=O)(=O)[O-])ccc2N=Nc1ccc(c2c1cccc2S(=O)(=O)[O-])Nc1nc(N)nc(n1)Cl	0.97	1.0
Compound_450	CCCCCCSc1ncn(n1)CC(=O)c1ccccc1O	0.61	1.0
Compound_451	NC(=N)N1N=C(C(=Cc2ccc(cc2)N(C)C)C1=O)C	0.17	0.0
Compound_452	N#CC(c1ccc(cc1Cl)N(=O)=O)c1ccccc1	0.9	1.0
Compound_453	Fc1ccc(cc1)Cn1c(N)nc2c1cccc2	0.18	0.0
Compound_454	O=C1NCCCCC1N(Cc1ccccc1)Cc1ccccc1	0.01	0.0
Compound_455	CCCCCCCCCCCCCCCCc1c(CCC)c(O)c(c2c1OC(=O)C2(O)c1ccccc1)C	0.53	1.0
Compound_456	CCCCCCCCCCCCCCCCOc1ccc(cc1)C1=C(C(=O)C=C(C1=O)C)C(S(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(c(c1)N=NC1C(=NN(C1=O)c1ccccc1)C)OC)C	0.08	0.0
Compound_457	CCOC(=O)C1CCC(=S)N1	0.62	1.0
Compound_458	OCC(COC(=O)CCSCCC(=O)OCC(CO)O)O	0.65	1.0
Compound_459	OC(=O)C1SC(SC(S1)C(=O)O)C(=O)O	0.23	0.0
Compound_460	CCCCCCCCCCCCCCCCCC(=O)N(CCCN(C)C)CCCN(C)C	0.69	1.0
Compound_461	CN1CCOCCOCCOCC1	0.41	0.0
Compound_462	COC(=O)Cc1cc(C)cc(=O)o1	0.57	1.0
Compound_463	OC(=O)CC(C(=O)O)NC(P(=O)(O)O)P(=O)(O)O	0.01	0.0
Compound_464	COC(=O)CCC=C=CCC1C(O)CC(C1C=CC(COc1ccccc1)O)O	0.72	1.0
Compound_465	Nc1cc(Cl)cc(c1)C(F)(F)F	0.89	1.0
Compound_466	CCCCN(CC(C(=O)OC)C)CCCC	0.26	0.0
Compound_467	Cc1cc(SCC(=O)O)c(cc1Cl)Cl	0.55	1.0
Compound_468	CCC(C(C(=O)OC)(C#N)CC)C	0.81	1.0
Compound_469	Fc1c(F)c(F)c(c(c1F)S(=O)(=O)[O-])F	0.98	1.0
Compound_470	CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C	0.1	0.0
Compound_471	Clc1ccc(c(c1)Nc1ccccc1)N	0.93	1.0
Compound_472	CCCCCCCC[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCC)OC(=O)C=CC(=O)OCCCCCCCCCCCC	0.96	1.0
Compound_473	CC(CC(C)C)CCOP(=S)(OCCC(CC(C)C)C)S	0.84	1.0
Compound_474	[O-]S(=O)(=O)c1ccc2c(c1)c(ccc2N=Nc1cc(ccc1S(=O)(=O)[O-])S(=O)(=O)[O-])N=Nc1ccc(c2c1cccc2S(=O)(=O)[O-])Nc1nc(N)nc(n1)Cl	0.97	1.0
Compound_475	Clc1nc(Nc2ccc(cc2)NC2=CC(S(=O)(=O)[O-])C(C3=C2C(=O)c2ccccc2C3=O)(N)S(=O)(=O)[O-])nc(n1)Cl	0.86	1.0
Compound_476	CCOCCOc1nc(Nc2ccc(c(c2)N=NC2C(=NN(C2=O)c2cc(Cl)c(cc2Cl)S(=O)(=O)[O-])C)S(=O)(=O)[O-])nc(n1)Cl	0.87	1.0
Compound_477	N#Cc1cc(ccc1N=Nc1cc(Cl)c(cc1NC(=O)C)NCC(O)C)N(=O)=O	0.16	0.0
Compound_478	CCCC(C(Cc1c(cccc1O)Sc1cccc(c1CC(C(C(CCC)C)CCC)C)O)C)C(CCC)C	0.84	1.0
Compound_479	OC(C(C)(C)C)(Cn1ncnc1)COc1ccc(cc1)Cl	0.85	1.0
Compound_480	CC1=NN(C(=O)C1N=Nc1cccc(c1)NS(=O)(=O)c1ccccc1)c1cc(Cl)c(cc1Cl)S(=O)(=O)[O-]	0.79	1.0
Compound_481	OCC(C(=O)C)CC=C(C)C	0.12	0.0
Compound_482	CC(CC(C)(C)C)CCOP(=O)(O)O	0.44	0.0
Compound_483	CCC(CCOC(=O)C(CC)C)C	0.93	1.0
Compound_484	CCC(C(=O)OCC(=C)C)C	0.91	1.0
Compound_485	Fc1ccc(cc1)c1oc(=O)oc1CCN1CCN(CC1)c1ccccc1	0.01	0.0
Compound_486	CC(C[N+](CCOC(=O)C(=C)C)(C)C)O	0.03	0.0
Compound_487	CCC(c1cc(ccc1OCC(=O)Nc1ccc(c(c1)NC(=O)c1ccc2c(c1O)cccc2)Cl)C(CC)(C)C)(C)C	0.58	1.0
Compound_488	Nc1cc2[nH]c(=O)c(=O)[nH]c2cc1N	0.08	0.0
Compound_489	N#CC1(CCCCC1)c1ccc(cc1)F	0.99	1.0
Compound_490	COC(=O)C1CNCCC1=O	0.02	0.0
Compound_491	OCCN(c1cccc(c1)N)CCO	0.11	0.0
Compound_492	CCCCCP(c1ccccc1)CCCCC	0.98	1.0
Compound_493	CCCCn1c2ccccc2c(c1C)C1(OC(=O)c2c1cccc2)c1c2ccccc2n(c1C)CC	0.68	1.0
Compound_494	COCc1ccc(c2c1cccc2)C	0.99	1.0
Compound_495	Clc1nc(Nc2ccc3c(c2)cc(c(c3O)N=Nc2cc(c(cc2S(=O)(=O)[O-])C)S(=O)(=O)[O-])S(=O)(=O)[O-])nc(n1)N(c1ccccc1)C	0.95	1.0
Compound_496	Clc1nc(Nc2ccc(c(c2)C)N=Nc2ccc(cc2)C(=O)Nc2ccc(c(c2)S(=O)(=O)O)N=NC2C(=NN(C2=O)c2cc(ccc2S(=O)(=O)O)S(=O)(=O)O)C)c(c(n1)Cl)Cl	0.67	1.0
Compound_497	CCOC(=O)C(=NOC(C(=O)OC(C)(C)C)(C)C)c1csc(n1)NC(c1ccccc1)(c1ccccc1)c1ccccc1	0.3	0.0
Compound_498	CCCCCCCCCCCCCC(=O)OCC(C(OC(=O)CCCCCCCCCCCCC)C)(COC(=O)CCCCCCCCCCCCC)CO	0.41	0.0
Compound_499	CCCCC(CCC(=O)C=C(C)C)CC	0.67	1.0
Compound_500	CC(=O)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O	0.78	1.0
Compound_501	CCOC(C=CC1C(=CCCC1(C)C)C)C	0.57	1.0
Compound_502	COc1cc(N=Nc2ccccc2OC)c(cc1N)C	0.59	1.0
Compound_503	CC1(C)CC(CC(N1)(C)C)N1CN(CN(C1)C1CC(C)(C)NC(C1)(C)C)C1CC(C)(C)NC(C1)(C)C	0.01	0.0
Compound_504	COCCOc1cc(N=Nc2c(Cl)cc(cc2N(=O)=O)N(=O)=O)c(cc1N(CCOC)CCOC)NC(=O)C	0.25	0.0
Compound_505	[SiH3]COC(OCCC(CCC=C(C)C)C)OCCC(CCC=C(C)C)C	0.9	1.0
Compound_506	C[Si](OCCc1ccccc1)(OCCc1ccccc1)OCCc1ccccc1	0.97	1.0
Compound_507	CCC[n+]1c(C=C(C=c2oc3c(n2CCC)cc(cc3)c2ccccc2)CC)oc2c1cc(cc2)c1ccccc1	0.03	0.0
Compound_508	CCCCN(c1ccc(cc1)N=Nc1ccc(cc1)N(=O)=O)CCC#N	0.89	1.0
Compound_509	OC1COCCOCCOCCOCCOC1	0.81	1.0
Compound_510	CCCC[N+](CCCC)(CCO)C	0.36	0.0
Compound_511	CC(=O)NCCS(=O)(=O)[O-]	0.04	0.0
Compound_512	CC1CCC(C(C1)C)O	0.51	1.0
Compound_513	CC(c1ccccc1)N1CCNCC1	0.1	0.0
Compound_514	[O-]S(=O)(=O)c1cc(N=Nc2c(O)c3c(N=Nc4cc(N=Nc5ccc(c(c5)S(=O)(=O)[O-])c5nc6c(s5)cc(cc6)C)c(cc4O)O)cc(cc3cc2S(=O)(=O)[O-])S(=O)(=O)[O-])ccc1N=Nc1ccc(cc1)S(=O)(=O)[O-]	0.94	1.0
Compound_515	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)ccc(c2)S(=O)(=O)[O-])CC	0.84	1.0
Compound_516	CCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_517	CCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_518	CCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O	0.5	0.0
Compound_519	CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)C(O)C)O	0.43	0.0
Compound_520	CCC(c1cccc(c1N)CC)C	0.61	1.0
Compound_521	COC1CCc2c(C1=O)cccc2	0.86	1.0
Compound_522	N#Cc1c(=O)[nH]c(c(c1C)C=Nc1cccc2c1C(=O)c1ccccc1C2=O)O	0.53	1.0
Compound_523	N#Cc1c(O)[nH]c(=O)c(c1C)C=Nc1cccc2c1C(=O)c1cccc(c1C2=O)NC(=O)c1ccccc1	0.38	0.0
Compound_524	C=CCc1cc(Nc2cccc(c2CC)CC=C)c(c(c1)CC=C)CC	0.78	1.0
Compound_525	CCCCCCCCC=CCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCC=CCCCCCCCC	0.03	0.0
Compound_526	CC(C1(C)CO1)C	0.96	1.0
Compound_527	O=CC1=C(C)c2c(C(C1)C)c1c([nH]2)ccc(c1)OC	0.84	1.0
Compound_528	COc1ccc(c(c1CN(c1nc(F)nc(c1Cl)F)C)S(=O)(=O)[O-])Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.72	1.0
Compound_529	CCCCCC=CCCCC	0.74	1.0
Compound_530	COc1ccc(c2c1cccc2)S(=O)(=O)[O-]	0.81	1.0
Compound_531	CC(=O)SCC(C1CCC(=CC1)C)C	0.26	0.0
Compound_532	OC1OC(=O)C2C1OC1(O2)CCCCC1	0.39	0.0
Compound_533	OCCN(Cn1sc2c(c1=O)cccc2)C	0.05	0.0
Compound_534	CC(CC(c1ccc(cc1)C(C)C)(C)C)OC(=O)C	0.91	1.0
Compound_535	C=CC(OC(=O)Cc1ccccc1)(CCC=C(CCC=C(C)C)C)C	0.6	1.0
Compound_536	CCCCCCCCCCCCCC(=O)OCC1OC(C(C1OC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC1C([O-])OC(C(C1O)O)CO	0.08	0.0
Compound_537	CCCCCCCCCCCCCCCCCC(OS(=O)(=O)[O-])(OS(=O)(=O)[O-])OC(=O)C	0.7	1.0
Compound_538	OCC1COC(O1)(CBr)c1ccc(cc1Cl)Cl	0.6	1.0
Compound_539	OC(COc1ccc(cc1)OCc1ccccc1)CNCCNC(=O)N1CCOCC1	0.0	0.0
Compound_540	Brc1ccc2c(c1)ccc(c2)OS(=O)(=O)[O-]	0.96	1.0
Compound_541	CCCCCCCCCCCCCCCCCC[Si](OC)(C)C	0.99	1.0
Compound_542	CC[N+](=C1C=CC(=C(c2ccccc2Cl)c2ccc(cc2)N(CC)CC)C=C1)CC	0.57	1.0
Compound_543	Oc1ccc2c(c1N=Nc1ccc(c(c1)N(=O)=O)N)cc(cc2)[N+](C)(C)C	0.85	1.0
Compound_544	ClCCn1nnn(c1=O)CC	0.07	0.0
Compound_545	CCC(c1cc(Cc2cc(cc(c2O)C(C)(C)C)C(CC)C)c(c(c1)C(C)(C)C)O)C	0.97	1.0
Compound_546	CC(CC(C(=O)NCC(=O)N1CCCC1C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)C1CCCN1C(=O)CNC(=O)CCC(=O)O)C	0.01	0.0
Compound_547	CC1=Nc2c(C1C=CC1=[N+](C)c3c(C1(C)C)cccc3)cccc2	0.21	0.0
Compound_548	CC(CC(S(=O)(=O)[O-])O)CCCC(C)C	0.37	0.0
Compound_549	ClCC(=O)NCc1c(C)cc(c(c1C)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-])C	0.47	0.0
Compound_550	ClCC(=O)Nc1ccc(c(c1)S(=O)(=O)[O-])N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)Nc1ccccc1C	0.6	1.0
Compound_551	O=C(C(=C)Br)Nc1ccc(c(c1)S(=O)(=O)[O-])Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.91	1.0
Compound_552	Clc1nc(Nc2ccc(c(c2)N=Nc2c(C)nn(c2O)c2ccc(cc2)C(=O)Nc2ccc(c(c2)N=Nc2c(nn(c2O)c2ccc(cc2)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])c(c(n1)Cl)Cl	0.6	1.0
Compound_553	O=C(Nc1ccc(c(c1)C)N=Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1ccc(cc1)S(=O)(=O)[O-])C=CC(=O)Nc1ccc(c(c1)C)N=Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1ccc(cc1)S(=O)(=O)[O-]	0.93	1.0
Compound_554	N#CC(c1ccccc1)c1ccc(cc1)N	0.99	1.0
Compound_555	CCCCOC(=O)CCC(O)C	0.84	1.0
Compound_556	Cc1ccc(cc1)OCCOCCOCCOCCOCCOP(=O)([O-])[O-]	0.82	1.0
Compound_557	CCCCCCCCOC(=O)C(=CC)C	0.98	1.0
Compound_558	CCCC(c1cc(C)c(c(c1N)C)N)C	0.62	1.0
Compound_559	OCC=C(C#CC(CC)(CC)O)C	0.14	0.0
Compound_560	[O-]P(=O)OCCOCCOc1ccc(cc1)N(=O)=O	0.9	1.0
Compound_561	CCOC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1	0.01	0.0
Compound_562	CCCOCC#CCO	1.0	1.0
Compound_563	CC(=O)Nc1ccc(cc1)OC(=O)c1cccc(c1OC(=O)C)C	0.81	1.0
Compound_564	C[Si](C(C)(C)C)(OS(=O)(=O)C(F)(F)F)C	0.89	1.0
Compound_565	O=C1C2=C(C(=O)c3c1cccc3)C(C(C=C2NC1CCCCC1)S(=O)(=O)[O-])(N)S(=O)(=O)[O-]	0.22	0.0
Compound_566	O=C(c1ccc(cc1)N=NC1C(=O)N(N=C1C(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-])Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)[O-]	0.87	1.0
Compound_567	OC(=O)C(c1ccc(c(c1)Cl)O)O	0.64	1.0
Compound_568	O=C1OC(c2c1cccc2)(Cl)c1ccc(c(c1)S(=O)(=O)Cl)Cl	0.91	1.0
Compound_569	C=CCN(CC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CN(CC=C)CC=C)O)(C)C)O)CC=C	0.03	0.0
Compound_570	CCCCC(C(=O)[O-])(C)C	0.61	1.0
Compound_571	Oc1c(N=Nc2cccc3c2cccc3)c2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.98	1.0
Compound_572	O=C1C(N=Nc2ccccc2S(=O)(=O)O)C(=NN1c1cc(NC(=O)c2cc(Cl)nnc2Cl)cc(c1C)S(=O)(=O)O)C(=O)O	0.75	1.0
Compound_573	O=C(C(=C)C)Oc1ccc(cc1)C(c1ccccc1)(C)C	0.97	1.0
Compound_574	C=CCOc1ccc(cc1)C(c1ccccc1)(C)C	0.91	1.0
Compound_575	CCCCCCCCCCCCCCCCCCOC(=O)C(S(=O)(=O)[O-])CC(=O)OCC(CCCC)CC	0.51	1.0
Compound_576	CCCCCCCC1N(CCOCCC(=O)[O-])C=CN1CCC(=O)[O-]	0.02	0.0
Compound_577	CCCCCCCCOC(=O)CCS	0.98	1.0
Compound_578	OC(=O)CC1=NN(C(=O)C1)c1ccc(cc1)S(=O)(=O)O	0.2	0.0
Compound_579	O=N(=O)c1cc2ccccc2c(c1N(=O)=O)S(=O)(=O)O	0.95	1.0
Compound_580	Cc1ccc(c(c1)C)NS(=O)(=O)c1cc(ccc1Cl)N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)[O-]	0.94	1.0
Compound_581	Cc1ccc(cc1)S(=O)(=O)c1ccccc1N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)[O-]	0.92	1.0
Compound_582	COC(=O)C(Oc1ccccc1)(C)C	0.46	0.0
Compound_583	Nc1ccc(cc1)SCC1COC(O1)(Cn1ccnc1)c1ccc(cc1Cl)Cl	0.13	0.0
Compound_584	CCCCC1OC(C)CC(C1)(C)O	0.64	1.0
Compound_585	CCC1CN2CCC1CC2C(c1ccnc2c1c(N(=O)=O)c(cc2)OC)O	0.03	0.0
Compound_586	N#CC(=c1[nH]c(=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c2c1cccc2)C(=O)Nc1cccc(c1)C	0.05	0.0
Compound_587	O=C(c1ccccc1C(=O)O)c1ccc(c(c1)S(=O)(=O)Cl)Cl	0.93	1.0
Compound_588	N#CCCOCC[N+](Cc1ccccc1)(CC)CC	0.15	0.0
Compound_589	Nc1c(OS(=O)(=O)c2ccccc2)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O	0.92	1.0
Compound_590	Nc1ccc(cc1)NCc1ccc(cc1)N	0.96	1.0
Compound_591	O=C(c1ccccc1N)Nc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N	0.7	1.0
Compound_592	CCON(C(=N)C)OCC	0.35	0.0
Compound_593	CCOc1cccc(c1C#N)OCC	0.93	1.0
Compound_594	C=CC(COC(=O)C)CCC=C(C)C	0.73	1.0
Compound_595	CCCCCCCCCCCCCCCCCC(=O)NCC[NH+](CCO)CC	0.21	0.0
Compound_596	O=N(=O)Nc1[nH]cc(c(=O)n1)Cc1ccc(nc1)C	0.4	0.0
Compound_597	CCCCCCCCCOC(=O)c1ccccc1N	0.6	1.0
Compound_598	CCCCOC(=O)C(CCl)Cl	0.99	1.0
Compound_599	CCCCCC(C1(C)OCCO1)C(=O)OCC	0.88	1.0
Compound_600	COC(=O)c1ccccc1N=CC(CC1CC2CC1CC2)C	0.12	0.0
Compound_601	CCOC(=O)C1CCNCC1=O	0.04	0.0
Compound_602	CCCCCCCCCCCCCCCCCN1CC[N+](=C1CCCCCCCCCCCCCCCCC)C	0.15	0.0
Compound_603	CCOP(=O)(OCCOC(=O)N)CO	0.8	1.0
Compound_604	O=C(c1ccccc1)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc2c(c1S(=O)(=O)O)ccc(c2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O	0.85	1.0
Compound_605	CCCCOC(=O)CC[Sn](OC(=O)C)(OC(=O)C)CCC(=O)OCCCC	0.95	1.0
Compound_606	CCN(c1ccc(c(c1)C)N=Nc1c(Br)cc(cc1N(=O)=O)N(=O)=O)CC[n+]1ccccc1	0.38	0.0
Compound_607	SC1CC2CC(C1C)C2(C)C	0.78	1.0
Compound_608	CC(=O)Nc1cc2C(OS(=O)(=O)[O-])c3ccccc3C(c2cc1Cl)OS(=O)(=O)[O-]	0.93	1.0
Compound_609	CCCCCCCCCCC1CCC(=O)OC1	0.96	1.0
Compound_610	CCOc1cc(ccc1C1(OC(=O)c2c1cccn2)c1c2ccccc2n(c1C)CC)N(CC)CC	0.26	0.0
Compound_611	COC1=C(C)CC(C1=O)C	0.38	0.0
Compound_612	CCCCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)OC2(c1ccc(cc1OCC)N(CC)CC)c1c2ccccc2n(c1C)CC	0.48	0.0
Compound_613	CCCCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1)CC	0.82	1.0
Compound_614	CCCCCCCCCCCCC1CC(=O)N(C1=O)C1CC(C)(C)NC(C1)(C)C	0.15	0.0
Compound_615	CC1=CCC2C(C1)C(=O)N(C2=O)C1CC(C)(C)NC(C1)(C)C	0.2	0.0
Compound_616	CC1CCC2C(C1)C(=O)N(C2=O)C1CC(C)(C)NC(C1)(C)C	0.02	0.0
Compound_617	CCCCCCCCCCCCCCCCOc1ccc(cc1)c1c(O)c(C)cc(c1C(S(=O)(=O)c1ccc(c(c1)N=NC1C(=NN(C1=O)c1ccccc1)C)OC)C)O	0.24	0.0
Compound_618	CC(=O)COC(=O)CN1C(=CC=c2oc3c(n2CCCCS(=O)(=O)[O-])cccc3)C(=O)N(C1=S)c1ccccc1	0.26	0.0
Compound_619	CCC=CC(=O)SC	0.94	1.0
Compound_620	O=C(c1ccc(cc1)N=Nc1c(O)ccc(c1O)N=Nc1cc(N=Nc2cccc(c2)S(=O)(=O)[O-])ccc1O)Nc1ccc(c(c1)C(=O)[O-])O	0.86	1.0
Compound_621	OCCN1CCC(CC1)CCC(C1CCN(CC1)CCO)C1CCNCC1	0.04	0.0
Compound_622	CC(=O)OCC(C(C)C)C	0.95	1.0
Compound_623	Nc1nc(nc(n1)Cl)Nc1ccc(c2c1c(ccc2)S(=O)(=O)[O-])N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)[O-])N=Nc1cc2c(c(c1)S(=O)(=O)[O-])cccc2S(=O)(=O)[O-]	0.98	1.0
Compound_624	CC1CCC(=O)C(C1)C(C)(C)C	0.09	0.0
Compound_625	CCCCCCCCCCCCc1ccc(cc1)OCC(C[N+](C)(C)C)O	0.05	0.0
Compound_626	Fc1nc(NCc2cccc3c2ccc(c3S(=O)(=O)O)N=Nc2c(O)c3c(NC(=O)c4ccccc4)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O)c(c(n1)F)Cl	0.85	1.0
Compound_627	CC(c1ccccc1)CC(c1ccccc1)(CC(c1ccccc1)(CC(=C)c1ccccc1)C)C	0.91	1.0
Compound_628	CCOc1ccc(cc1)N=Nc1ccc(c2c1cccc2)N=Nc1cccc(c1)S(=O)(=O)[O-]	0.99	1.0
Compound_629	OC1=C(N=Nc2ccc(cc2)N=Nc2ccccc2)C(=C(C(=O)[NH2+]1)[n+]1ccccc1)C	0.11	0.0
Compound_630	COC(CCOC(=O)C(C)C)C	0.74	1.0
Compound_631	CCCCC(Cn1c(O)c(N=Nc2ccc(cc2N(=O)=O)OC)c(c(c1=O)C#N)C)CC	0.09	0.0
Compound_632	CCCCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(OC2=O)(c1ccc(cc1OCC)N(CC)CC)c1c2ccccc2n(c1C)CC	0.48	0.0
Compound_633	CCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(OC2=O)(c1ccc(cc1OCC)N(CC)CC)c1c2ccccc2n(c1C)CC	0.48	0.0
Compound_634	O=C(Nc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-])C=CC(=O)Nc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.95	1.0
Compound_635	CCC[P+](CC)(CC)CC	0.9	1.0
Compound_636	CC(CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C)C	0.93	1.0
Compound_637	CCCCCC(C(CC(=O)O)C)OC(=O)C	0.22	0.0
Compound_638	CC1CCCN(C1)CN1CCCC(C1)C	0.34	0.0
Compound_639	SCCC(=O)OCC(C(C(C(COC(=O)CCS)O)O)O)O	0.53	1.0
Compound_640	CCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CO1	0.97	1.0
Compound_641	CCCCCCCCCCCCS[Sn](OC(=O)C=CC(=O)OCC(CCCC)CC)(CCCC)CCCC	0.93	1.0
Compound_642	CCCCCCCCCCCCCC(S(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N=NC1C(=O)N(N=C1C(=O)NC)c1ccccc1)C1=C(CCC)C(=O)C(=C(C1=O)C)C	0.25	0.0
Compound_643	CCCC1=C(C(=O)C(=C(C1=O)C)C)C(S(=O)(=O)c1ccc(cc1)N=Nc1cc(c(c2c1c(ccc2)NS(=O)(=O)N(C)C)O)S(=O)(=O)NC(C)(C)C)CCCCCCCCCCCCC	0.18	0.0
Compound_644	O=C1c2c(ccc(c2C(=O)c2c1c(ccc2Sc1ccccc1)Sc1ccccc1)Sc1ccc(cc1)C(C)(C)C)Sc1ccc(cc1)C(C)(C)C	0.98	1.0
Compound_645	CCN(c1cc(ccc1OC)S(=O)(=O)N)CC	0.07	0.0
Compound_646	Oc1ccc(cc1)N=Nc1ccc(c2c1cccc2)N=Nc1cccc(c1)S(=O)(=O)[O-]	0.99	1.0
Compound_647	C[Si](N1N=NC2C1C1CC2C2C1N(N=N2)[Si](C)(C)C)(C)C	0.63	1.0
Compound_648	Oc1c(N=Nc2cc(Cl)c(cc2S(=O)(=O)[O-])C)c2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.94	1.0
Compound_649	Fc1nc(Nc2ccc3c(c2)cc(c(c3O)N=Nc2c(C)cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])c(c(n1)F)Cl	0.96	1.0
Compound_650	CC(COC(=O)C(Br)C)C	0.95	1.0
Compound_651	CCCCCCCCCCCCCCC(CP(=O)(OCCCC)OCCCC)O	0.88	1.0
Compound_652	CCOC(=O)C1CCN(CC1)C(=O)C	0.52	1.0
Compound_653	CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCNC(=O)CCCCCCCCCCCCCCCCC	0.07	0.0
Compound_654	CCOC(=O)CCCCCCC1C(=O)NC(=O)N1CCC(C1CCCCC1)O	0.03	0.0
Compound_655	CCOc1cc([N+]#N)c(cc1N1CCCC1)OCC	0.08	0.0
Compound_656	CCCCOCCOC(=O)C(Cl)C	0.98	1.0
Compound_657	CSC(=S)OCC(C)C	0.94	1.0
Compound_658	CCOC(=O)Cc1cc(C)cc(=O)o1	0.65	1.0
Compound_659	CCCCCCCCCCCCCCCC=CC1=NCC[N+]1(CCO)CCC(=O)O	0.02	0.0
Compound_660	CCCCCCCCCCCCCOC(S(=O)(=O)[O-])(CC)O	0.61	1.0
Compound_661	COC(=O)Cc1ncsc1CCO	0.36	0.0
Compound_662	CC(CCCC(=O)CCC(C)C)C	0.94	1.0
Compound_663	OCC(COc1c(Br)c(Br)c(c(c1Br)Br)OCC(CO)O)O	0.68	1.0
Compound_664	Clc1ccc(cc1)C(=O)Nc1cc(c2nnc(o2)c2cc(NC(=O)c3ccc(cc3)Cl)c3c(c2N)C(=O)c2c(C3=O)cccc2)c(c2c1C(=O)c1c(C2=O)cccc1)N	0.23	0.0
Compound_665	BrC1CCC(Br)C(Br)CCCC(C(CC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Br)Br	0.95	1.0
Compound_666	CC1(CC[NH2+]CC1)c1ccccc1	0.03	0.0
Compound_667	COC1(CC[NH2+]CC1)c1ccccc1	0.07	0.0
Compound_668	CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)O	0.88	1.0
Compound_669	CC(=O)Nc1ccc(cc1)NS(=O)(=O)c1ccc(c(c1)N(=O)=O)Cl	0.82	1.0
Compound_670	CN(c1cc(C)c(cc1C)N(C(=O)C)C)C(=O)C	0.79	1.0
Compound_671	CCc1cc(C)c(c(c1)CC)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)Nc1c(C)cc(cc1CC)CC	0.74	1.0
Compound_672	COc1ccccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])NC(=O)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccccc1C)S(=O)(=O)[O-]	0.98	1.0
Compound_673	OCCCCCC#CCC	0.97	1.0
Compound_674	CCCCCCCC[Sn]1(CCCCCCCC)SCC(=O)OCCOC(=O)CS1	0.9	1.0
Compound_675	CCOc1cc(Cl)c(cc1NC(=O)CC(=O)C)OCC	0.23	0.0
Compound_676	Cc1ccc(cc1NC(=O)C)O	0.24	0.0
Compound_677	CN(CCCNC(=O)Nc1c(Cl)cccc1Cl)C	0.07	0.0
Compound_678	CC(NC(=O)Nc1c(Cl)cccc1Cl)C	0.74	1.0
Compound_679	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c2c1cccc2)OC)CC	0.79	1.0
Compound_680	COC(=O)c1ccc(c(c1O)C)C	0.76	1.0
Compound_681	CCCCCCCCCOC(=O)Cc1ccccc1	0.98	1.0
Compound_682	O=C1c2c(cccc2C(=O)c2c1cccc2)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c2c3ccc3c2c(cc1)c1c(c3=O)cccc1	0.57	1.0
Compound_683	CCCCCCCCOC(=O)CC(CC(C(=O)OCCCCCCCC)(C)C)C	0.74	1.0
Compound_684	CCCCCC1=C(C)CC(C1=O)C(=O)OCC	0.3	0.0
Compound_685	C(C#N)C=C1CC2CC1C=C2	0.5	0.0
Compound_686	COc1ccc(cc1CCC(=O)O)N	0.01	0.0
Compound_687	C1=CCC(CC1)c1ccncc1	0.87	1.0
Compound_688	c1cc(nc(c1)c1ccncc1)c1ccncc1	0.99	1.0
Compound_689	CCOC(=O)n1cccc1C(=S)N	0.4	0.0
Compound_690	CCC(CC(C)C)COC(=O)COc1cc(Cl)c(cc1Cl)Cl	0.85	1.0
Compound_691	CCCCCCCCNC(=N)N	0.61	1.0
Compound_692	Clc1cccc(c1)Nc1ccc2c(c1N=Nc1cc(ccc1O)S(=O)(=O)N)cccc2	0.22	0.0
Compound_693	Oc1ccc(cc1N=Nc1c(ccc2c1cccc2)Nc1ccccc1)S(=O)(=O)N	0.2	0.0
Compound_694	Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)[O-])Nc1ccc(c(c1)N(=O)=O)C	0.92	1.0
Compound_695	Nc1cc(Oc2ccccc2)nc(=N)n1O	0.08	0.0
Compound_696	C=CCNc1cc(NC(=O)C)c(cc1OC)N=Nc1c(Cl)cc(cc1N(=O)=O)N(=O)=O	0.14	0.0
Compound_697	CC(=O)OC1CCC2C1C1CCC2C1	0.94	1.0
Compound_698	NNC1CCN(CC1)Cc1ccccc1	0.07	0.0
Compound_699	CC1N(CCCS(=O)(=O)[O-])c2c([NH+]1C)ccc(c2)C(F)(F)F	0.34	0.0
Compound_700	CCCCCCCCCC[N+](CCC[Si](OC)(OC)OC)(CCCCCCCCCC)C	0.78	1.0
Compound_701	C(CCC(OCC1CO1)COCC1CO1)COCC1CO1	0.64	1.0
Compound_702	N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)Nc2ccccc2S(=O)(=O)O)C=C1	0.53	1.0
Compound_703	COc1cc2c(cc1C(=O)C)C(C)(C)CCC2(C)C	0.96	1.0
Compound_704	O=C1C(N=Nc2cc(ccc2S(=O)(=O)[O-])NC(=O)c2ccc3c(c2)nc(c(n3)Cl)Cl)C(=NN1c1ccc(cc1C)S(=O)(=O)[O-])C(=O)[O-]	0.7	1.0
Compound_705	Clc1nc(Nc2cc(Nc3cc(c(c4c3C(=O)c3ccccc3C4=O)N)S(=O)(=O)[O-])c(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])c(c(n1)Cl)Cl	0.93	1.0
Compound_706	CNS(=O)(=O)c1ccc(c(c1)C(=O)[O-])N=NC1C(=NN(C1=O)c1ccc(c(c1)S(=O)(=O)[O-])C=Cc1ccc(cc1S(=O)(=O)[O-])NC(=O)C=CC(=O)Nc1ccc(cc1)N=Nc1ccc(c(c1)C(=O)[O-])O)C	0.47	0.0
Compound_707	O=C(Nc1ccc(cc1)N=Nc1ccc(c(c1)C(=O)[O-])O)C=CC(=O)Nc1ccc(cc1)N=Nc1ccc(c(c1)C(=O)[O-])O	0.44	0.0
Compound_708	Clc1nc(Nc2ccc(cc2)c2ccc(c(c2)S(=O)(=O)[O-])N=NC2C(=NN(C2=O)c2ccc(cc2)S(=O)(=O)[O-])C)c(c(n1)Cl)Cl	0.59	1.0
Compound_709	CCCCCCCCCCCC[S+](C(CC#N)C)CC	0.88	1.0
Compound_710	CCCCCCCCCCCC[Sn](OC(=O)CCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)CCCCCCCCCCCC	0.94	1.0
Compound_711	OCCN(CCCC(N)C)CC	0.56	1.0
Compound_712	Fc1nc(Nc2ccc(cc2)C(=O)Nc2cc(cc3c2c(O)c(c(c3)S(=O)(=O)[O-])N=Nc2ccccc2S(=O)(=O)[O-])S(=O)(=O)[O-])c(c(n1)F)Cl	0.91	1.0
Compound_713	Fc1nc(Nc2ccc(c(c2)Nc2ccc(c(c2)N=Nc2c(N)ccc3c2cccc3S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])c(c(n1)F)Cl	0.96	1.0
Compound_714	COc1cc(N=Nc2cc(cc3c2c(cc(c3)S(=O)(=O)[O-])OS(=O)(=O)c2ccccc2)S(=O)(=O)[O-])c(cc1NC(=O)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)[O-])C	0.98	1.0
Compound_715	Cc1cc(ccc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)c1oc2c(n1)ccc(c2)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1	0.1	0.0
Compound_716	CCCCC(COC(=O)CSCSCC(=O)OCC(CCCC)CC)CC	0.94	1.0
Compound_717	CCN1CCN(C(=O)C1=O)C(=O)NC(c1ccc(cc1)O)C(=O)O	0.0	0.0
Compound_718	COc1cc(N(=O)=O)c(cc1C(=O)O)S(=O)(=O)CC	0.38	0.0
Compound_719	CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N(=O)=O)S(=O)(=O)CC	0.03	0.0
Compound_720	CC(CCOC(=O)C=Cc1ccco1)C	0.84	1.0
Compound_721	[O-]S(=O)(=O)CNc1ccc(cc1)N=Nc1ccc(cc1)N=Nc1cc2c(c(c1)S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-]	0.99	1.0
Compound_722	CCCCOCCOCCOP(=O)([O-])[O-]	0.97	1.0
Compound_723	CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-]	1.0	1.0
Compound_724	OCCOCC(C(C(C)C)OCCO)(C)C	0.52	1.0
Compound_725	CCCCCCCCCC(c1ccccc1)C(=O)OCc1ccccc1	0.97	1.0
Compound_726	O=C(NC1CC(C)(Cn2c(=O)n(CC3(C)CC(NC(=O)ON=C(C)C)CC(C3)(C)C)c(=O)n(c2=O)CC2(C)CC(NC(=O)ON=C(C)C)CC(C2)(C)C)CC(C1)(C)C)ON=C(C)C	0.01	0.0
Compound_727	CC1N=C(N(C1)C(=O)NCC1(C)CC(NC(=O)N2CC(N=C2c2ccccc2)C)CC(C1)(C)C)c1ccccc1	0.03	0.0
Compound_728	OC(C(C)C)CCC1CCCCC1	0.59	1.0
Compound_729	O=C=NC1CC(C)(CNC(=O)[O-])CC(C1)(C)C	0.08	0.0
Compound_730	CCCCCCCCCCCCCCCCCCn1c(nc2c1ccc(c2)S(=O)(=O)O)c1ccc(cc1)NC(=O)COc1ccc(cc1)C1=NC(=O)OC1Sc1nnnn1c1ccccc1	0.21	0.0
Compound_731	CCCCCCCCCCCC(c1ccccc1)c1ccccc1	0.88	1.0
Compound_732	CCCCCCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCC	0.94	1.0
Compound_733	Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)[O-])Nc1c(C)c(Br)c(c(c1C)Br)C	0.97	1.0
Compound_734	OC(COS(=O)(=O)[O-])COc1cc(Nc2c(C)cc(c(c2C)S(=O)(=O)[O-])C)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.78	1.0
Compound_735	Oc1ccc(cc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])Nc1nc(nc(n1)Nc1ccccc1)Nc1ccc2c(c1)cc(c(c2O)N=Nc1cc(ccc1O)S(=O)(=O)C)S(=O)(=O)[O-])S(=O)(=O)C	0.94	1.0
Compound_736	Nc1ccccc1Cc1ccc(c(c1)C)N	0.97	1.0
Compound_737	C=CC1=C(C)C(=O)N=C1C=C1NC(C(=C1C)CCC(=O)NCCS(=O)(=O)[O-])Cc1[nH]c(c(c1CCC(=O)NCCS(=O)(=O)[O-])C)C=C1NC(=O)C(=C1C)C=C	0.16	0.0
Compound_738	CCOC(=O)C(c1ccc(cc1)C)(C(=O)OCC)CC	0.85	1.0
Compound_739	C=CC=CC(=O)C=CC=C(CCCC(C)C)C	0.43	0.0
Compound_740	COc1cc(N=Nc2ccc(cc2S(=O)(=O)[O-])N(=O)=O)c(cc1N=Nc1c(O)c2c(NC(=O)C)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])C	0.89	1.0
Compound_741	CC(=O)C(C(=O)Nc1ccccc1)N=Nc1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)N=Nc1ccc(c2c1cccc2)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.92	1.0
Compound_742	Fc1nc(Nc2cc(N=NC3C(=NN(C3=O)c3ccc(c(c3)Cl)S(=O)(=O)[O-])C)c(cc2S(=O)(=O)[O-])C)c(c(n1)F)Cl	0.75	1.0
Compound_743	Fc1nc(Nc2cc(N=NC3C(=NN(C3=O)c3ccc(c(c3)Cl)S(=O)(=O)[O-])C)c(cc2C)S(=O)(=O)[O-])c(c(n1)F)Cl	0.75	1.0
Compound_744	CC(=O)Nc1ccc(c(c1)N=Nc1c(ccc2c1c(O)cc(c2)S(=O)(=O)[O-])Nc1c(C)cccc1C)S(=O)(=O)[O-]	0.82	1.0
Compound_745	N#CCCC1(C(=O)N)c2ccccc2c2c1cccc2	0.42	0.0
Compound_746	COC(c1ccc(cc1)C)C=CC#N	0.77	1.0
Compound_747	CC(Cc1ccccc1N)C	0.5	0.0
Compound_748	Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)Nc1ccc(cc1S(=O)(=O)[O-])C	0.96	1.0
Compound_749	OCC(CCCCCCC(CO)O)O	0.79	1.0
Compound_750	Brc1c(Br)cc2c(c1Br)c1c(C2)c(Br)c(c(c1Br)Br)Br	1.0	1.0
Compound_751	C=C1N(C)c2c(C1C)cccc2	0.47	0.0
Compound_752	Cc1cc(ccc1Nc1ccccc1S(=O)(=O)O)N(=O)=O	0.69	1.0
Compound_753	OS(=O)(=O)c1ccc2c3c1cccc3OS2(=O)=O	0.74	1.0
Compound_754	CCCCCCCCCCCCC1CC(=O)N(C1=O)CCC[N+](Cc1ccccc1)(C)C	0.09	0.0
Compound_755	CCCCCCCCCCCCCCCC=CCC(C(=O)OC1CCC(CC1)C(C)(C)C)CC(=O)[O-]	0.22	0.0
Compound_756	Oc1ccc(c(c1)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)[O-]	0.97	1.0
Compound_757	CC1CC(C(CC1C(C)(C)C)C)C(C)(C)C	0.98	1.0
Compound_758	COC1CC2CC1C1C2C=CC1(C)C	0.88	1.0
Compound_759	Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2	0.59	1.0
Compound_760	CCNc1ccc(cc1N(=O)=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1	0.16	0.0
Compound_761	FC(c1n[nH]c(=S)[nH]1)(F)F	0.12	0.0
Compound_762	OCCCCCCCC1C(CCC(=O)COc2ccccc2)CCC1=O	0.87	1.0
Compound_763	CCN(c1ccc(cc1)N=Nc1nncn1C)CC	0.2	0.0
Compound_764	C=CCOC(C(Cl)(F)F)(F)F	0.99	1.0
Compound_765	NC(=O)C1(CCNCC1)NC1CCCCC1	0.01	0.0
Compound_766	ClC1=C(Cl)C2(C(C1(Cl)C1C2C2C(c3c1cc(cc3)S(=O)(=O)[O-])C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl)(Cl)Cl)Cl	0.93	1.0
Compound_767	CCOC(=O)CC1(O)C2(C)CCCC1(C)CC2	0.37	0.0
Compound_768	FC(Oc1ccc(cc1)C(=O)C)F	0.96	1.0
Compound_769	C[Si]1(C)OCCOCCOCCOCCOCCO1	0.79	1.0
Compound_770	CCC(SC(CC)O)O	0.77	1.0
Compound_771	CCC(=O)C1CC(C)CC(C1)(C)C	0.96	1.0
Compound_772	[O-]C(=O)C(=O)Nc1ccc(cc1)N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)[O-])N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)[O-])N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)[O-]	0.98	1.0
Compound_773	N#CC1(CCN(CC1)Cc1ccccc1)c1ccccc1	0.1	0.0
Compound_774	COc1cc(COc2ccc(cc2)C(C)(C)C)c(cc1OC)N(=O)=O	0.98	1.0
Compound_775	COc1nc(Cl)nc(n1)N(c1ccc2c(c1)cc(c(c2O)N=Nc1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-])C	0.95	1.0
Compound_776	O=Cc1ccccc1SC	0.9	1.0
Compound_777	O=C(c1ccccc1)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)Nc1ccc2c(c1)c1cccc3c1c2ccc3Nc1ccc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1	0.69	1.0
Compound_778	CCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCC	0.35	0.0
Compound_779	CCCCCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCCCCC	0.35	0.0
Compound_780	CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC	0.23	0.0
Compound_781	CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC	0.23	0.0
Compound_782	CCCCCCCCCCCCCC(=O)NCC(=N)NC(=O)CCCCCCCCCCCCC	0.06	0.0
Compound_783	CCC=CCC=CCC=CCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCC=CCC=CCC=CCC	0.23	0.0
Compound_784	CCCCC(C(=O)OC)O	0.42	0.0
Compound_785	CCOc1ccc2c(c1)ccc(=CC=c1sc(=C3N(CC(=O)O)C(=S)N(C3=O)c3ccccc3)n(c1=O)CC)n2CC	0.03	0.0
Compound_786	Nc1ccc(c(c1)S(=O)(=O)[O-])N(=O)=O	0.87	1.0
Compound_787	CCCCCCCCc1c(N)[nH]c(=S)[nH]c1=O	0.25	0.0
Compound_788	CCC(C(=O)OCc1ccc2c(c1)OCO2)C	0.91	1.0
Compound_789	CCCCCCSc1ncn(n1)C(C(=O)C(C)(C)C)C(=O)Nc1cc(ccc1Cl)NC(=O)CCCOc1ccc(cc1C(CC)(C)C)C(CC)(C)C	0.09	0.0
Compound_790	Nc1ccc(c(c1)C)c1cc(c(cc1C)N)S(=O)(=O)O	0.94	1.0
Compound_791	N#CC1(CCC(CC1)N1CCC2(CC1)N(CN(C2=O)CC(=O)N)c1ccc(cc1)F)c1ccc(cc1)F	0.01	0.0
Compound_792	ClC(=O)c1c(F)cccc1Cl	0.96	1.0
Compound_793	CCOC(c1ccc(cc1)C)CCC#N	0.92	1.0
Compound_794	CCCCCCCCCCCCC(c1ccncc1)CCc1ccccc1	0.68	1.0
Compound_795	C[n+]1cnn(c1N=Nc1c([nH]c2c1cccc2)c1ccccc1)C	0.09	0.0
Compound_796	CSc1ccc(c(c1Cl)Cl)O	0.88	1.0
Compound_797	CCc1cc(Sc2cc(CC)cc(c2O)Cl)c(c(c1)Cl)O	0.94	1.0
Compound_798	ClCC(=O)CC(=O)OC(c1ccccc1)C	0.93	1.0
Compound_799	CCOC(=O)CCc1ccc(nc1)C	0.65	1.0
Compound_800	CC(OC(=O)C(C)C)C=CC1C(=CCCC1(C)C)C	0.43	0.0
Compound_801	O=C(N(CCC(c1ccccc1)Oc1ccccc1C)C)Oc1ccccc1	0.11	0.0
Compound_802	NC1CCC(CC1)c1ccc(c2c1C(=O)c1c(ccc(c1C2=O)C1CCC(CC1)N)C1CCC(CC1)N)C1CCC(CC1)N	0.3	0.0
Compound_803	CC(CC(C)(C)C)CC1OCCO1	0.48	0.0
Compound_804	CCOC(=C1SC(=S)N(C1=O)CC(=O)O)C=c1sc(=CC=C2SCCN2CC)c(=O)n1CC	0.03	0.0
Compound_805	[O-]C(=O)CCN(c1nc(F)nc(c1Cl)F)c1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.75	1.0
Compound_806	COC(c1ccccc1NC(=O)c1ccccc1)N	0.32	0.0
Compound_807	CCCCCCCCCCCCC(=O)CN	0.62	1.0
Compound_808	BrCC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	0.01	0.0
Compound_809	CCCCCCCCCCCCOC(=O)Nc1ccc(c(c1)N=C=O)C	0.12	0.0
Compound_810	CCCCNS(=O)(=O)c1ccccc1C	0.09	0.0
Compound_811	CCCC[N+](CCO)(CCO)CCO	0.66	1.0
Compound_812	CC(COC(=O)CC(CC(C)(C)C)C)C	0.8	1.0
Compound_813	CCCCCCCCCCCCOCC(COCCCO)O	0.91	1.0
Compound_814	CC1=CC(CC(C1)(C)C)C(=O)C(C)C	0.95	1.0
Compound_815	CCCCC1C(CC(=O)OC)CC(C1=O)C	0.61	1.0
Compound_816	CCCCCC1CCC(C1)OC(=O)CC	0.86	1.0
Compound_817	CCCCC(C1CCCC1O)O	0.9	1.0
Compound_818	CC1=CC(CC(C1)(C)C)C(=O)C	0.68	1.0
Compound_819	CCC(=O)C1C=C(C)CC(C1)(C)C	0.92	1.0
Compound_820	C#CCN1CCC23C4(C1Cc1c3c(OC2C(=O)CC4)c(cc1)OC)O	0.08	0.0
Compound_821	OCN1CC(C)(C)C(NC1=O)O	0.07	0.0
Compound_822	O=C(N(C)C)Nc1ccc(c(c1)C)C(C)C	0.95	1.0
Compound_823	CC(OC(=O)C(O)C)CCOC(=O)C(O)C	0.33	0.0
Compound_824	COc1ccc(cc1OC)c1nc([nH]c1c1ccccc1Cl)c1ccccc1Cl	0.99	1.0
Compound_825	CC(CCOC(=O)C=C(C)C)CCCC(C)C	0.73	1.0
Compound_826	CP(=O)(CP(=O)(O)O)C	0.55	1.0
Compound_827	OCCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)S(=O)(=O)C)CC	0.36	0.0
Compound_828	CCC(COCOCC(CO)(CO)CC)(CO)CO	0.89	1.0
Compound_829	CCC(COCC(CO)(CO)CC)(COCC(CO)(CO)CC)CO	0.13	0.0
Compound_830	CCC(COCOCC(CO)(CO)CC)CO	0.85	1.0
Compound_831	CCC(COCC(CO)(CO)CC)(COCOCC(CO)(CO)CC)CO	0.68	1.0
Compound_832	Clc1nc(nc(n1)Nc1cccc(c1)S(=O)(=O)[O-])Nc1cc(C)c(cc1C)N=Nc1cc(c(cc1S(=O)(=O)[O-])N=Nc1c(O)c2c(Nc3ccccc3)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]	0.97	1.0
Compound_833	CC(Oc1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(n1)Cl)C	0.96	1.0
Compound_834	CCCCCCCCCCCCCP(c1cc(c(cc1C)C(CC(c1cc(C)c(cc1C(C)(C)C)P(CCCCCCCCCCCCC)CCCCCCCCCCCCC)c1cc(C)c(cc1C(C)(C)C)P(CCCCCCCCCCCCC)CCCCCCCCCCCCC)C)C(C)(C)C)CCCCCCCCCCCCC	0.92	1.0
Compound_835	CCCCCCCCCCCC(=O)NCCC[N+](CC)(C)C	0.1	0.0
Compound_836	C[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(CCCOCC1OC1)C)CCCOCC1OC1	0.63	1.0
Compound_837	CCOC(=O)C(=CCC1CC=C(C1(C)C)C)C#N	0.86	1.0
Compound_838	NC(=N)[NH2+]c1ccc(cc1)C	0.25	0.0
Compound_839	CCOc1ncc(c(n1)Cl)C(=O)OCC	0.37	0.0
Compound_840	N#Cc1ccc(c(c1)Br)F	0.97	1.0
Compound_841	OCCS(=O)(=O)c1ccc(c(c1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N)OC	0.26	0.0
Compound_842	COc1ccc(cc1Nc1ccc(c2c1C(=O)c1ccccc1C2=O)NC(=O)C)S(=O)(=O)CCOC(=O)C	0.36	0.0
Compound_843	N#CC(c1ccccc1)(c1ccccc1)CCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2	0.01	0.0
Compound_844	N#CCCC(c1ccccc1)(C1CCN(CC1)Cc1ccccc1)C#N	0.05	0.0
Compound_845	CC(CN(S(=O)(=O)c1ccc(cc1)C)CC(Cl)C)Cl	0.78	1.0
Compound_846	OC(=O)c1cc(N=Nc2ccc(cc2)Sc2ccccc2N=Nc2ccc(c(c2)C(=O)O)O)ccc1O	0.19	0.0
Compound_847	O=C(c1cccc(c1C(=O)n1cnc2c1cccc2)C(=O)O)c1cccc(c1C(=O)n1cnc2c1cccc2)C(=O)O	0.08	0.0
Compound_848	N#[N+]c1ccc(cc1Cl)N(=O)=O	0.94	1.0
Compound_849	CCn1[nH]nnc1=O	0.12	0.0
Compound_850	CCCCCCCCC=CCCCCCCCC(=O)N(CC(=O)[O-])CCNCCO	0.04	0.0
Compound_851	CCCCCC=CCC=CCCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCCC=CCC=CCCCCC	0.03	0.0
Compound_852	Cc1ccc(cc1C)CCNc1ccccc1	0.33	0.0
Compound_853	CCCCCC=CCC=CCCCCCCCC(=O)NCCN(C(=O)C)CCOC(=O)C	0.25	0.0
Compound_854	O=C(Nc1cccc(c1)S(=O)(=O)[O-])CC(=O)C	0.75	1.0
Compound_855	CCCCCCCCC=CCCCCCCCCOC(=O)C(NC(=O)C)CCSC	0.3	0.0
Compound_856	Clc1cccc(c1OC(=O)c1c(Cl)cccc1Cl)Cl	0.99	1.0
Compound_857	CNC(=O)Nc1c(Cl)cccc1Cl	0.72	1.0
Compound_858	CCCCOC(=O)C=CC(=O)OCCCCCC([Sn](OC(=O)C=CC(=O)OCCCC)OC(=O)C=CC(=O)OCCCC)CC	0.86	1.0
Compound_859	Nc1ccc2c(c1)n1CCCN=c1s2	0.11	0.0
Compound_860	CCCC[Sn](SCCC(=O)OCCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCCCC)SCCC(=O)OCCCCCCCCCCCC	0.95	1.0
Compound_861	O=C(Nc1c(Cl)cccc1Cl)CN1CCN2C(C1)C(=O)NC2(C)C	0.01	0.0
Compound_862	COC(=O)C(NC(=O)C(NC(=O)C(N)C)C)C	0.03	0.0
Compound_863	CCCCCCCCCCCCOC(=O)CC(C(=O)O)(CC(=O)O)O	0.26	0.0
Compound_864	N1CCC(CC1)C1CCNCC1	0.04	0.0
Compound_865	COc1ccc(cc1)COC(=O)C(c1ccc(cc1)O)C(=O)ON1C(=O)CCC1=O	0.31	0.0
Compound_866	Oc1ccc(cc1)C(C(=O)ON1C(=O)CCC1=O)C(=O)O	0.01	0.0
Compound_867	CCCCCC#CC=CC(=O)O	0.84	1.0
Compound_868	O=C(c1ccc2c(c1)nc(c(n2)Cl)Cl)Nc1ccc(c2c1c(ccc2)S(=O)(=O)[O-])N=Nc1cc2c(c(c1)S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-]	0.97	1.0
Compound_869	Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)[O-])Nc1cc(Nc2nc(nc(c2Cl)C)S(=O)(=O)C)c(cc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.78	1.0
Compound_870	CCC(c1cc(C(c2cc(cc(c2O)C(C)(C)C)C(CC)C)C)c(c(c1)C(C)(C)C)O)C	0.99	1.0
Compound_871	N#CCCOCCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)N(=O)=O)CCOCCC#N	0.63	1.0
Compound_872	COc1ccc2c(c1)n(CCCS(=O)(=O)[O-])c(=Cc1sc3c([n+]1CCCS(=O)(=O)[O-])c1ccccc1cc3)s2	0.56	1.0
Compound_873	CCCCCCCCCCCC(=O)N(CCOC(=O)CC(S(=O)(=O)[O-])C(=O)[O-])CCO	0.48	0.0
Compound_874	CCCCC(C(=O)Nc1cc(O)c(cc1O)NC(=O)Nc1ccc(cc1)C#N)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	0.29	0.0
Compound_875	O=C(C=Cc1ccccc1)OCC1=CCC2CC1C2(C)C	0.58	1.0
Compound_876	CC(=O)Nc1cccc2c1c(N=Nc1cc(ccc1O)S(=O)(=O)CCOS(=O)(=O)[O-])c(cc2)O	0.87	1.0
Compound_877	N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)Nc2ccccc2)C=C1	0.78	1.0
Compound_878	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	0.82	1.0
Compound_879	C=CCCCCCCCCCCC1CO1	0.94	1.0
Compound_880	CCCCCCCCCCCCCCOC(=O)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCC)(CCCCCCCC)CCCCCCCC	0.94	1.0
Compound_881	CCCCCCCCC=CCCCCCCCC[N+](CCO)(CCO)CC	0.73	1.0
Compound_882	CCC[N+](CC)(CC)C	0.39	0.0
Compound_883	OC(COc1ccccc1C1CC2CC1CC2)C[NH2+]C(C)C	0.02	0.0
Compound_884	O=C(C(C)C)OC1CC2CC1C1C2CCC1	0.84	1.0
Compound_885	CCCCCCCCCCP(=O)(OC)O	0.92	1.0
Compound_886	O=C(c1cc2ccccc2c(c1O)N=Nc1cccc(c1Cl)Cl)Nc1ccccc1C	0.37	0.0
Compound_887	Cc1ccc(cc1)N1N=C(C(C1=O)N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C)C	0.81	1.0
Compound_888	Clc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1C)C(=O)C	0.78	1.0
Compound_889	O=C(Oc1ccc(cc1)C(c1ccccc1)(C)C)CCCC(=O)Oc1ccc(cc1)C(c1ccccc1)(C)C	0.94	1.0
Compound_890	CCCCCCC1C=CC(C(C1)C(=O)O)CCCCCCCC(=O)[O-]	0.06	0.0
Compound_891	CCCCCCCCCCCCCCCCCCNC(C(=O)OC)CC(=O)OC	0.12	0.0
Compound_892	Cc1ccc(cn1)Cc1c[nH]c(nc1=O)NCCSCc1ccco1	0.02	0.0
Compound_893	CC(COC(=O)C1(C)CCC(=CC1)CCC=C(C)C)C	0.77	1.0
Compound_894	CC(C(CC1CCCCC1)(C)C)O	0.52	1.0
Compound_895	Cc1cc(OCC2CO2)c(cc1Br)Br	0.95	1.0
Compound_896	CCCCOC(=O)CC(C=CC1C(=CCCC1(C)C)C)(O)C	0.41	0.0
Compound_897	Clc1nc(Nc2ccc(c(c2)N=NC2C(=NN(C2=O)c2cc(Cl)c(cc2Cl)S(=O)(=O)O)C)S(=O)(=O)O)nc(n1)Nc1ccc(cc1C(=O)O)S(=O)(=O)O	0.54	1.0
Compound_898	CCCCCC(=O)NCCCCC(C(=O)N)NC(=O)CCCCC	0.12	0.0
Compound_899	CC1=CC(CC(C1)C(=O)C)(C)C	0.69	1.0
Compound_900	CCCCCCCCCCCCCCCCCC=C(C(=O)O)CC(=O)N(CC(C)C)CC(C)C	0.46	0.0
Compound_901	CCCCCCOCc1cnccn1	0.59	1.0
Compound_902	Clc1ccc(c(c1)C)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1C)C	0.32	0.0
Compound_903	OCC[N+](CCCOC(=O)C(=Cc1ccc(cc1)N(CC)CC)C#N)(C)C	0.02	0.0
Compound_904	OCCC[N+](CCOC(=O)C(=Cc1ccc(cc1)N(CC)CC)C#N)(C)C	0.03	0.0
Compound_905	OCC(C(O)(C)C)CC=C(C)C	0.18	0.0
Compound_906	CCCCCCCCCCOC(O)O	0.88	1.0
Compound_907	COc1cc(N=Nc2ccc(c(c2)C(=O)O)O)c2c(c1N=Nc1c(O)cc3c(c1S(=O)(=O)O)cc(cc3)N1N=C(C(C1=O)N=Nc1ccccc1)C)ccc(c2)S(=O)(=O)O	0.57	1.0
Compound_908	COc1cc(N=Nc2ccc(cc2)S(=O)(=O)[O-])c(cc1N=Nc1ccc(cc1)O)C	0.94	1.0
Compound_909	CCCCCCCCC(c1ccccc1)CCCC(=O)C(O)(C)C	0.53	1.0
Compound_910	CCCN1CCN(CC1)C(=O)OCC	0.29	0.0
Compound_911	CCCCC(COC(CC(OCC(CCCC)CC)OCC(CCCC)CC)OCC)CC	0.47	0.0
Compound_912	COC(=O)C1C2C=CC(C1(C)C)C2	0.86	1.0
Compound_913	CCC(=C(c1ccc(cc1)Br)Cl)C=O	0.91	1.0
Compound_914	NCc1cc(C)cc(c1)C	0.66	1.0
Compound_915	CC(CC(c1ccccn1)(C(=O)N)CCN(C(C)C)C(C)C)C	0.03	0.0
Compound_916	C=COC(=O)C(C(Cl)(Cl)F)(F)F	0.95	1.0
Compound_917	CCN1C(=O)C(C=CC=CC=C2C(=O)N(CC)C(=O)N(C2=O)CC)C(=O)N(C1=O)CC	0.06	0.0
Compound_918	N#CCCCC1CC=C(C1(C)C)C	0.76	1.0
Compound_919	O=C1c2ccccc2C(=O)c2c1c1[nH]c3ccc4c5c3c(c1cc2)ccc5c(=O)c1c4c(Cl)c(Cl)cc1	0.97	1.0
Compound_920	NCCNCC(C[Si](O[Si](CC(CNCCN)C)(OC)C)(OC)C)C	0.05	0.0
Compound_921	Oc1cc(C)c(c(c1)C(C)C)C1(OC(=O)c2c1cccc2)c1cc(C(C)C)c(cc1C)OP(=O)([O-])[O-]	0.92	1.0
Compound_922	CCOc1cc(N=Nc2ccc(cc2S(=O)(=O)[O-])NC(=O)c2ccccc2)c2c(c1N=Nc1c(O)c3c(NC(=O)c4ccccc4)cc(cc3cc1S(=O)(=O)[O-])S(=O)(=O)[O-])ccc(c2)S(=O)(=O)[O-]	0.98	1.0
Compound_923	O=C1CCCN1CCNCCCN1CCCC1=O	0.04	0.0
Compound_924	CC1CCCCCCCCCC(=O)OCCOC(=O)C1	0.83	1.0
Compound_925	CCCCCCCCCOCCC#N	0.98	1.0
Compound_926	CC(CC(c1ccccc1)(C)C)OC(=O)C(C)C	0.96	1.0
Compound_927	CC(CC(OCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])C)C	0.65	1.0
Compound_928	CC1CC2CC3C1C(C2(C)O)(C)CCC3C	0.38	0.0
Compound_929	CC=CC(=O)OC(Cc1ccccc1)(C)C	0.93	1.0
Compound_930	CCOC(=O)CNC(=O)C(C(CC)C)C(CC)C	0.26	0.0
Compound_931	CC(c1cccc(c1S(=O)(=O)O)S(=O)(=O)O)C	0.37	0.0
Compound_932	CC(=CC1CC2CC1C=C2)CO	0.45	0.0
Compound_933	ClC(=O)c1ccc2c(c1O)cccc2NS(=O)(=O)c1cccc(c1)S(=O)(=O)F	0.8	1.0
Compound_934	OC(=O)c1ccc2c(c1O)cccc2NS(=O)(=O)c1cccc(c1)S(=O)(=O)F	0.23	0.0
Compound_935	C=CCC(C=O)(CC)CC	0.89	1.0
Compound_936	CCOC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)(C(=O)OCC)C	0.64	1.0
Compound_937	O=CC(=C(c1ccc(cc1)C)Cl)C	0.73	1.0
Compound_938	Fc1cccc(c1c1noc(c1C(=O)Cl)C)Cl	0.79	1.0
Compound_939	CCN(c1ccc(cc1)N=Nc1nc2c(s1)ccc(c2)S(=O)(=O)[O-])Cc1ccccc1	0.96	1.0
Compound_940	CC(=O)C1(CO)CC2CC1C=C2	0.59	1.0
Compound_941	[O-]P(=O)OCCCC[Si](O)(O)O	0.79	1.0
Compound_942	COC(=O)C1CC2CC(C1C=C2C)C(C)C	0.59	1.0
Compound_943	O=CC1CC2CC(C1CC2C)C(C)C	0.87	1.0
Compound_944	CCN(c1ccc(cc1)C=Cc1cccc[n+]1C)CC	0.37	0.0
Compound_945	N#N=C1CC(=O)C(c2c1cccc2)S(=O)(=O)Oc1ccccc1C	0.94	1.0
Compound_946	Oc1c(N=Nc2ccc(cc2)N(=O)=O)c(cc2c1c(ccc2)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.99	1.0
Compound_947	CCCC1CCC(CC1)c1ccc(cc1)c1ccc(cc1)CC	0.92	1.0
Compound_948	CCC(=C(c1ccccc1C)c1ccccc1)C	0.91	1.0
Compound_949	Clc1cccc(c1[C+](c1cc(C)c(c(c1)C)N)c1cc(C)c(c(c1)C)N)Cl	0.98	1.0
Compound_950	CCOC(=O)c1cc(C#N)c(cc1O)N	0.38	0.0
Compound_951	CCCCCCCCCCCCCCCC(=O)CC(=O)O	0.23	0.0
Compound_952	CC1=NN(C(=O)C1N=Nc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)N=NC1C(=NN(C1=O)c1cc(ccc1Cl)S(=O)(=O)[O-])C)c1cc(ccc1Cl)S(=O)(=O)[O-]	0.91	1.0
Compound_953	CCCCCCCCCCCCCCCC(=O)OC(CC(CC(C)C)C)CC(C)C	0.86	1.0
Compound_954	CC1=NC2(NC(C1)(C)C)CCCCC2	0.01	0.0
Compound_955	COc1cc(ccc1OC)C(S(=O)(=O)[O-])O	0.27	0.0
Compound_956	CCCCCCCCCCCCCCCCCC(=O)NCCN(C(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCC)CC)CC	0.19	0.0
Compound_957	OC1(CCCC1=C1CCCC1)C(C)(C)C	0.04	0.0
Compound_958	CCN(c1ccc(cc1)C=C(C(=O)OCCC[N+](CCOC(=O)C)(C)C)C#N)CC	0.04	0.0
Compound_959	CCOC(=O)C(NC(=O)C(=C)C)O	0.04	0.0
Compound_960	CCCCCCCCCc1ccccc1OC(=O)CCCC(=O)Oc1ccccc1CCCCCCCCC	0.93	1.0
Compound_961	CCCCCCCCCc1ccccc1OC(=O)CCC(=O)Oc1ccccc1CCCCCCCCC	0.94	1.0
Compound_962	CCCCC(CC(CCCC)CC)(CC(CCCC)CC)[NH3+]	0.21	0.0
Compound_963	Nc1nc(N)c(c(n1)N)C	0.78	1.0
Compound_964	O=N(=O)c1cc(c2c(c1O)cccc2)S(=O)(=O)O	0.93	1.0
Compound_965	COCCOCCOCCC[Si](Cl)(C)C	0.83	1.0
Compound_966	COc1cc(C(Oc2ccc(cc2)C(C)(C)C)C)c(cc1OC)N(=O)=O	0.98	1.0
Compound_967	Cc1ccccc1S(=O)(=O)Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O	0.9	1.0
Compound_968	Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1C)C(=O)C	0.32	0.0
Compound_969	ClCCC(c1ccc(cc1)F)c1ccc(cc1)F	0.97	1.0
Compound_970	COC(=O)CCN(c1ccc(c(c1)C)N=Nc1nc2c(s1)c(Cl)c(cc2)Cl)CCC(=O)OC	0.2	0.0
Compound_971	CC(c1cc(cc2c1sc1ccccc1c2=O)C(C)C)C	0.98	1.0
Compound_972	Nc1ccc(c(c1)O)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1c(O)c2cc(N=Nc3ccc(cc3O)N)ccc2cc1S(=O)(=O)[O-]	0.98	1.0
Compound_973	O=C1CCCCCCCCCCCC(=O)OC(CO1)C	0.58	1.0
Compound_974	N#Cc1c(C)cc(n(c1=O)Nc1ccccc1)O	0.08	0.0
Compound_975	COc1cc(N)c(cc1C(=O)NCC1CCCN1CC1CC1)S(=O)(=O)CC	0.01	0.0
Compound_976	CCC1CC2C(C1C(=O)CO)(C)CCC1=C3C(=CC(=O)CC3)CCC21	0.69	1.0
Compound_977	CC(C(C(=O)Nc1ccc(c2c1cccc2)S(=O)(=O)[O-])N=Nc1ccc(c(c1)S(=O)(=O)[O-])c1nc2c(s1)c(c(cc2)C)S(=O)(=O)[O-])O	0.92	1.0
Compound_978	CC=Cc1c(Sc2c([O-])c(C=CC)c(c(c2C=CC)C=CC)C=CC)c([O-])c(c(c1C=CC)C=CC)C=CC	0.92	1.0
Compound_979	NCC(CC(CCNCCC#N)(C)C)C	0.1	0.0
Compound_980	N#CCC=C1C(C)CCC2C1C2(C)C	0.85	1.0
Compound_981	CC1CC2C(CC1=CCC#N)C2(C)C	0.82	1.0
Compound_982	OCCCc1cccc(n1)CCCO	0.13	0.0
Compound_983	CCCCCCCCOC(=O)CC(CC(C(=O)OCCCCCCCC)C)(C)C	0.76	1.0
Compound_984	OC(=O)COc1ccccc1C=CC(=O)c1cc(ccc1O)NC(=O)C	0.36	0.0
Compound_985	OCCCCC1NCCc2c1[nH]c1c2cccc1	0.03	0.0
Compound_986	OCCCC1NCCc2c1[nH]c1c2cccc1	0.03	0.0
Compound_987	COC(=O)c1ccc(c(c1N(=O)=O)OC)OC	0.83	1.0
Compound_988	CCCCCCCCCCCCCCCCCC(=O)OC1(C)CCCCC1	0.87	1.0
Compound_989	CCCCCCCCCCCCOc1ccccc1NC(=O)c1cc(Cl)c2c(c1O)cccc2	0.45	0.0
Compound_990	OC(=O)C(=NOC(C(=O)OC(C)(C)C)(C)C)c1csc(n1)NC(c1ccccc1)(c1ccccc1)c1ccccc1	0.03	0.0
Compound_991	CC(c1ccc(c(c1C)C)C(c1ccccc1)C)c1ccccc1	0.99	1.0
Compound_992	BrCCCCCCCCCCC(=O)NCc1ccccc1	0.62	1.0
Compound_993	Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1C	0.16	0.0
Compound_994	Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F	0.39	0.0
Compound_995	c1ccc2c(c1)c1ccc3c(c1cc2)cc1c2c3ccc3c2c(cc1)c1c(c3)cccc1	1.0	1.0
Compound_996	O=C(c1cc2ccccc2c(c1O)N=Nc1ccc2c(c1S(=O)(=O)[O-])cccc2)Nc1cccc(c1)N(=O)=O	0.96	1.0
Compound_997	OS(=O)(=O)c1ccc2c(c1)c1ccccc1o2	0.92	1.0
Compound_998	CC1CCC2(C(C1)C)CCC(=O)CC2	0.87	1.0
Compound_999	OCC(Cn1c(C)cccc1=N)O	0.0	0.0
Compound_1000	OCC(CNCCCN(C)C)O	0.05	0.0