Index	SMILES	Probability	Label
Compound_1	Fc1ccc(c(c1)c1ncoc1c1ccc2n(c1)c(nn2)C(C)C)F	0.64	1.0
Compound_2	Fc1ccc2c(c1)c(C)cn2NC(=O)c1cnc(nc1C)c1ccccn1	0.1	0.0
Compound_3	CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1	0.01	0.0
Compound_4	CCCCCCCCCCCCCCCCOC(=O)C(CCCC)CC	0.93	1.0
Compound_5	OC(=O)CCCCCN1C(=O)c2c(C1=O)cccc2	0.01	0.0
Compound_6	CC(=CCC[C@]([C@@H]1CCC(=CC1)C)(O)C)C	0.05	0.0
Compound_7	CC1(C)[C@H]2CC[C@@]3(C1=CCCC3(C)C)C2	0.94	1.0
Compound_8	C1CCC(CC1)SSC1CCCCC1	0.9	1.0
Compound_9	OCC1C(CO)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl	0.16	0.0
Compound_10	CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C	0.01	0.0
Compound_11	OCc1cccc(c1)Oc1ccccc1	0.98	1.0
Compound_12	CSc1ccc(cc1C)Oc1ccc(cc1CN(C)C)S(=O)(=O)N	0.07	0.0
Compound_13	O=CC(Cc1cccc(c1)C(C)(C)C)C	0.99	1.0
Compound_14	O=C1c2c(ccc(c2C(=O)c2c1cccc2)Nc1ccccc1C)Nc1ccccc1C	0.68	1.0
Compound_15	O=C(c1cccnc1Oc1ccc2c(c1)non2)NCc1ccc(cc1)C(O)(C)C	0.02	0.0
Compound_16	Cc1cccc(c1)C	0.99	1.0
Compound_17	O=C1CCCCCCCCCCCCCC1	0.97	1.0
Compound_18	O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1	0.01	0.0
Compound_19	CC(COC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)O	0.64	1.0
Compound_20	CCCCCCC(c1cc(cc(c1OC(=O)C=CC)N(=O)=O)N(=O)=O)C	0.92	1.0
Compound_21	CCCCCCCCOC(=O)[C@H](Oc1ccc(cc1C)Cl)C	0.92	1.0
Compound_22	Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F	0.92	1.0
Compound_23	CCNC(=O)C1CC(C)CCC1C(C)C	0.32	0.0
Compound_24	OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1	0.96	1.0
Compound_25	C=CC(CCCC(CCCC(CCCC(C)C)C)C)(O)C	0.68	1.0
Compound_26	N#Cc1ccccc1N=C(c1snc(c1Cl)Cl)O	0.08	0.0
Compound_27	COc1cc(c(cc1N=NC1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)O)C)C)S(=O)(=O)CCOS(=O)(=O)O	0.76	1.0
Compound_28	Clc1ccccc1CC(C1(Cl)CC1)(Cn1cncn1)O	0.67	1.0
Compound_29	CC(=O)Nc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.73	1.0
Compound_30	C[C@@H]1CC[C@@H]2[C@@]31CC[C@@]([C@H](C3)C2(C)C)(C)O	0.14	0.0
Compound_31	COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C	0.46	0.0
Compound_32	CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl	0.99	1.0
Compound_33	CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O	0.87	1.0
Compound_34	O=C1CCCCCCCCCCCCCCC1	0.98	1.0
Compound_35	CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1	0.96	1.0
Compound_36	NC(=N)NCCCCCCCCNCCCCCCCCNC(=N)N	0.38	0.0
Compound_37	CCCCCCCC(=O)NCCN(CCC(=O)O)CCO	0.04	0.0
Compound_38	Clc1ccc(cc1)Oc1ccc(cc1O)Cl	0.99	1.0
Compound_39	CCOC(=O)C1(C)CC(=NN1c1ccc(cc1Cl)Cl)C(=O)OCC	0.15	0.0
Compound_40	CCCCCCCCCCCCC(CCCCCCCCCC)CO	0.97	1.0
Compound_41	ClCCc1cc2CC(=O)Nc2cc1Cl	0.77	1.0
Compound_42	CC(c1ccc2c(c1)ccc(c2)C(C)C)C	1.0	1.0
Compound_43	Fc1ccc(cc1)Oc1ncccc1C(=O)NCc1ccc(cc1)C(O)(C)C	0.03	0.0
Compound_44	OC(=O)CCn1ccc2c1cccc2OCCc1nc(oc1C)c1ccccc1	0.12	0.0
Compound_45	BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.67	1.0
Compound_46	Nc1cccc(c1)Oc1ccc(cc1)c1ccc(cc1)Oc1cccc(c1)N	0.99	1.0
Compound_47	O=C(c1ccc(cc1)N)Nc1c(C)cccc1C	0.89	1.0
Compound_48	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F	0.74	1.0
Compound_49	O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1	0.01	0.0
Compound_50	OC(=O)c1ccccc1SSc1ccccc1C(=O)O	0.38	0.0
Compound_51	CNCc1cc(F)ccc1Oc1ccc(c(c1)Cl)Cl	0.65	1.0
Compound_52	CC1CC(OC(=O)c2ccccc2O)CC(C1)(C)C	0.8	1.0
Compound_53	CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC)C	0.31	0.0
Compound_54	BrCCC(c1ccccc1)(c1ccccc1)C#N	0.97	1.0
Compound_55	Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F	0.69	1.0
Compound_56	c1ccc(cc1)COc1ccc2c(c1)cccc2	0.95	1.0
Compound_57	CCOCCCNS(=O)(=O)c1ccc(cc1)Oc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.18	0.0
Compound_58	NC(=O)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	0.0	0.0
Compound_59	CCN(c1ccc(cc1)N=Nc1ccccc1)CCOC(OCC(C)C)C	0.37	0.0
Compound_60	CNc1ccc(cc1)C(c1ccc(cc1)N(C)C)(c1ccc(cc1)N(C)C)O	0.89	1.0
Compound_61	CON(C(=O)Nc1ccc(cc1)Oc1ccc2c(c1)OC(CC2(C)C)(C)OC)C	0.47	0.0
Compound_62	O=C(Nc1cc(F)ccc1N1CCC(CC1)C(=O)O)NC(=O)c1cc(F)c(cc1Cl)F	0.02	0.0
Compound_63	Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1	0.93	1.0
Compound_64	Clc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1ccccc1	0.93	1.0
Compound_65	C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C	0.11	0.0
Compound_66	CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1	0.94	1.0
Compound_67	O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(nc1=O)N)COP(=O)(O)O	0.01	0.0
Compound_68	OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C	0.0	0.0
Compound_69	CC(CCCCCCCCCCOC(=O)CC(CC(C)(C)C)C)C	0.92	1.0
Compound_70	N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.0	0.0
Compound_71	Clc1ccc2c(c1)[nH]c(=O)n2C1CCNCC1	0.01	0.0
Compound_72	Clc1ccc(cc1)C(=C(Cl)Cl)c1ccccc1Cl	0.95	1.0
Compound_73	NC(=O)N([C@@H]1COc2c1ccc(c2)OCc1ccccc1)O	0.03	0.0
Compound_74	CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl	0.98	1.0
Compound_75	O=C(c1cccc(c1Cl)C(F)(F)F)N[C@@H](c1ccccc1)[C@@H]1CCCCN1	0.01	0.0
Compound_76	Clc1ccc(c(c1)Cl)C(Cn1cncc1)O	0.42	0.0
Compound_77	Clc1ccc(cc1)C(c1ccc(cc1)Cl)(c1cccnc1)O	0.93	1.0
Compound_78	CCn1nc(cc1C1CCN(CC1)C[C@H]1C[C@@H](C[C@@H]1c1cccc(c1)F)N([C@@H](C(=O)O)C(C)C)C)Cc1ccccc1	0.01	0.0
Compound_79	N#Cc1ccccc1C=Cc1ccc(cc1)C=Cc1ccccc1C#N	0.96	1.0
Compound_80	CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC	0.03	0.0
Compound_81	COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O	0.02	0.0
Compound_82	Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O	0.99	1.0
Compound_83	C[C@H](C(=O)O)Oc1ccc(c(c1)F)CNC(=O)c1cccnc1Oc1ccc2c(c1)OCO2	0.07	0.0
Compound_84	CCCCN(c1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O)CCCC	0.49	0.0
Compound_85	OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O	0.0	0.0
Compound_86	Fc1ccc(cc1)CC1CCN(CC1)CCS(=O)c1ccc2c(c1)oc(=O)[nH]2	0.04	0.0
Compound_87	N#Cc1ccc(cc1)C=Cc1ccc(cc1)C=Cc1ccccc1C#N	0.97	1.0
Compound_88	Cc1nn(c(c1C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)O)C	0.3	0.0
Compound_89	CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C	0.01	0.0
Compound_90	Fc1ccc(cc1)C(=O)N[C@H]1c2cc(ccc2OC([C@@H]1O)(C)C)C(=O)C	0.61	1.0
Compound_91	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C	0.49	0.0
Compound_92	CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(cc1O)N(CC)CC	0.52	1.0
Compound_93	OCC(=O)[C@H]1[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F	0.05	0.0
Compound_94	COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)OC(F)(F)F	0.01	0.0
Compound_95	CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)N)O)C	0.02	0.0
Compound_96	CC[C@H]1CC[C@@H]([C@@H](N1)c1ccccc1)NCc1cc2N(C)C(=O)[C@H]3[C@@H](c2cc1OC)C3	0.02	0.0
Compound_97	OCC([C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(CO)(C)C)O)O)(C)C	0.02	0.0
Compound_98	OCc1cc(c(cc1C)SC1=C(O)C[C@@](OC1=O)(CCc1ccc(cc1)N)C(C)C)C(C)(C)C	0.19	0.0
Compound_99	O[C@@H]1CN(C[C@@H]1O)C(=O)[C@@H]([C@@H](NC(=O)c1cc2c([nH]1)ccc(c2)Cl)Cc1ccccc1)O	0.05	0.0
Compound_100	COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	0.01	0.0
Compound_101	OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.13	0.0
Compound_102	CC(CCCCCCCCCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C)C	0.98	1.0
Compound_103	O=c1c2ccc3c4c2c(c(=O)n1CCc1ccccc1)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)CCc1ccccc1	0.03	0.0
Compound_104	Oc1ccc(cc1)C1(c2ccc(cc2)O)c2ccccc2C(=O)N1c1ccccc1	0.32	0.0
Compound_105	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)nc(n1)Nc1ccccc1)CCO	0.16	0.0
Compound_106	CC(CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C)C	0.87	1.0
Compound_107	CCCCCCCCCCCCCCCCCCNC(=O)NCCCNC(=O)NCCCCCCCCCCCCCCCCCC	0.48	0.0
Compound_108	CCc1cc(C)cc(c1Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)Nc1c(CC)cc(cc1CC)C)CC	0.7	1.0
Compound_109	CCOP(Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C	0.98	1.0
Compound_110	CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(=O)C(C)C)O[C@@H]([C@H]([C@@H]2OC(=O)C(C)C)OC(=O)C(C)C)COC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C	0.27	0.0
Compound_111	CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C	0.02	0.0
Compound_112	CCO[C@H]1[C@@H](OC)[C@H](O[C@H]2C[C@@H]3[C@@H](C2)C(=C[C@@H]2[C@H]3C=C3[C@H]2CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C3=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)C)O[C@H]([C@@H]1OC)C	0.01	0.0
Compound_113	CC[C@H]1CCC[C@H](O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)[C@@H](C)C(=O)C2=C[C@@H]3[C@H]([C@@H]2CC(=O)O1)C=C[C@H]1[C@H]3C[C@@H](C1)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC)OC)OC	0.02	0.0
Compound_114	BrC(C#N)Br	0.98	1.0
Compound_115	OC(=O)C(Oc1cccc(c1)Cl)C	0.95	1.0
Compound_116	O=C(Nc1cc(F)cc(c1)F)NN=C(c1ncccc1C(=O)O)C	0.02	0.0
Compound_117	Cc1ccc(cc1)C(=C)C	0.94	1.0
Compound_118	CCCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.18	0.0
Compound_119	CCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.07	0.0
Compound_120	ClC1=C(Cl)C2(C(C1(Cl)C1C2CCC2C(CC1)C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl	0.95	1.0
Compound_121	Oc1cccc2c1nccc2	0.97	1.0
Compound_122	O=C(Nc1ccc(cc1)N(=O)=O)Nc1ccc(cc1)N(=O)=O	0.83	1.0
Compound_123	OC(=O)C(Oc1ccc(cc1Cl)Cl)C	0.98	1.0
Compound_124	CC(Cc1ccc(cc1)C(C(=O)O)C)C	0.86	1.0
Compound_125	Cn1c(=O)n(C)c2c(c1=O)[nH]cn2	0.07	0.0
Compound_126	OC(=O)COc1nc(Cl)c(cc1Cl)Cl	0.6	1.0
Compound_127	CCc1ccc(nc1)C	0.9	1.0
Compound_128	O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O	0.01	0.0
Compound_129	O=C1CC(=NN1c1ccc(cc1)S(=O)(=O)O)C(=O)O	0.34	0.0
Compound_130	CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(cc1C)C	0.56	1.0
Compound_131	O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.01	0.0
Compound_132	CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N(C)C)C	0.02	0.0
Compound_133	OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F	0.01	0.0
Compound_134	On1nnc2c1cccc2	0.76	1.0
Compound_135	COC(=O)NS(=O)(=O)c1ccc(cc1)N	0.13	0.0
Compound_136	OC(=O)CN(C(=N)N)C	0.02	0.0
Compound_137	SC#N	0.93	1.0
Compound_138	CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C	0.13	0.0
Compound_139	CC(N1C(=O)c2ccccc2NS1(=O)=O)C	0.93	1.0
Compound_140	Nc1cc(cc(c1O)Cl)N(=O)=O	0.93	1.0
Compound_141	OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C	0.0	0.0
Compound_142	CN(=O)(C)C	0.71	1.0
Compound_143	CO[Si](OC)(OC)OC	0.95	1.0
Compound_144	CCC[Si](OCC)(OCC)OCC	0.98	1.0
Compound_145	CO[Si](CCCNC1CCCCC1)(OC)OC	0.13	0.0
Compound_146	NCCNCCC[Si](OCC)(OCC)OCC	0.2	0.0
Compound_147	CC1OB(OB2OC(C)CC(O2)(C)C)OC(C1)(C)C	0.87	1.0
Compound_148	C[Si](O)(C)C	0.67	1.0
Compound_149	ClCCCCl	0.95	1.0
Compound_150	[C-]#N	0.07	0.0
Compound_151	CNC=O	0.69	1.0
Compound_152	Clc1cc2c(c3c1[nH]c1c([nH]3)c(Cl)cc3c1c(=O)c1c(c3=O)cccc1)c(=O)c1c(c2=O)cccc1	0.41	0.0
Compound_153	O=NN(C)C	0.97	1.0
Compound_154	O=C1c2ccccc2C(=O)c2c1c1[nH]c3ccc4c5c3c(c1cc2)ccc5c(=O)c1c4cccc1	0.92	1.0
Compound_155	CN=C=S	0.9	1.0
Compound_156	CNC(=O)C	0.75	1.0
Compound_157	Nc1ccc(c2c1C(=O)c1ccccc1C2=O)c1ccc(c2c1C(=O)c1ccccc1C2=O)N	0.79	1.0
Compound_158	N#CC#N	0.94	1.0
Compound_159	CCCCl	0.98	1.0
Compound_160	N1CC1	0.3	0.0
Compound_161	CC=CC=O	0.98	1.0
Compound_162	CC(=O)C(=O)C	0.85	1.0
Compound_163	CC(=O)N	0.95	1.0
Compound_164	COS(=O)(=O)C	0.87	1.0
Compound_165	C1OC1C=O	0.78	1.0
Compound_166	ON=C(C)C	0.41	0.0
Compound_167	C=CP(=O)(O)O	0.46	0.0
Compound_168	CCSCC	0.97	1.0
Compound_169	NC(=O)CCl	0.91	1.0
Compound_170	ClC(Br)Cl	0.97	1.0
Compound_171	c1cccs1	0.95	1.0
Compound_172	OCCN(O)C	0.5	0.0
Compound_173	CNNC	0.82	1.0
Compound_174	OCCCl	0.98	1.0
Compound_175	ClCC1CO1	0.16	0.0
Compound_176	FC(Cl)(Cl)F	0.82	1.0
Compound_177	FC(C(F)(F)F)F	0.23	0.0
Compound_178	ClC(Br)Br	0.99	1.0
Compound_179	CC(=O)CO	0.98	1.0
Compound_180	CNN	0.95	1.0
Compound_181	C=CC(O)(C)C	0.88	1.0
Compound_182	COCCOC(=O)C	0.97	1.0
Compound_183	ClC(C(=O)O)Cl	0.95	1.0
Compound_184	OCC=CCO	0.86	1.0
Compound_185	C=CCCC(=O)O	0.6	1.0
Compound_186	CN(N)C	0.84	1.0
Compound_187	CCOS(=O)(=O)C	0.83	1.0
Compound_188	CC(=C)OC(=O)C	0.89	1.0
Compound_189	CC(C(=O)O)Cl	0.89	1.0
Compound_190	OCCC#N	0.92	1.0
Compound_191	BrC(Br)Br	0.99	1.0
Compound_192	CC(=C)C#N	0.98	1.0
Compound_193	ClCC=CCl	0.97	1.0
Compound_194	Nc1n[nH]cn1	0.76	1.0
Compound_195	FC(Cl)(Cl)Cl	0.74	1.0
Compound_196	OCC1CO1	0.95	1.0
Compound_197	OC(=O)C(Cl)(Cl)Cl	0.91	1.0
Compound_198	ClC=C(C)C	0.84	1.0
Compound_199	OC(=O)C(Cl)(Cl)C	0.9	1.0
Compound_200	CC(C(=O)O)N	0.02	0.0
Compound_201	C[C@@H](C(=O)O)N	0.02	0.0
Compound_202	ClC(N(=O)=O)(Cl)Cl	0.89	1.0
Compound_203	CCC(=O)OCC=C	0.96	1.0
Compound_204	COP(=O)(SC)N	0.71	1.0
Compound_205	C=CCSCC=C	0.93	1.0
Compound_206	CC(=O)C(O)C	0.84	1.0
Compound_207	CCOC(=O)N	0.91	1.0
Compound_208	OC[C@@H](C(=O)O)N	0.03	0.0
Compound_209	OC(=O)CC(C(=O)O)O	0.08	0.0
Compound_210	OCCOC(C)C	0.9	1.0
Compound_211	CCN(C=O)CC	0.81	1.0
Compound_212	C=CCC(C)C	0.75	1.0
Compound_213	CC(OC)CCO	0.88	1.0
Compound_214	CC(=O)Oc1ccc(cc1)C	0.99	1.0
Compound_215	C=CCOC(=O)CC(=O)C	0.76	1.0
Compound_216	OCC[C@H](O)C	0.84	1.0
Compound_217	OCCC(O)C	0.84	1.0
Compound_218	ClCCP(=O)(O)O	0.62	1.0
Compound_219	O[C@@H]([C@@H](C(=O)O)O)C(=O)O	0.06	0.0
Compound_220	CCCC(=O)OCC=C	0.99	1.0
Compound_221	CCOC(OCC)C	0.9	1.0
Compound_222	COCCOCOCCOC	0.98	1.0
Compound_223	ClCC(Cl)(Cl)Cl	0.98	1.0
Compound_224	CCCCC(=O)C	0.91	1.0
Compound_225	OCOCCOCO	0.95	1.0
Compound_226	O=c1ccc(=O)[nH][nH]1	0.1	0.0
Compound_227	N[C@H](C(=O)O)CS	0.03	0.0
Compound_228	OC(=O)CNCP(=O)(O)O	0.79	1.0
Compound_229	CCC1=NCCO1	0.33	0.0
Compound_230	CCOCC(OCC)C	0.93	1.0
Compound_231	C1CCC2C(C1)O2	0.6	1.0
Compound_232	CCOCC(OC(=O)C)C	0.87	1.0
Compound_233	CCC(CO)C	0.93	1.0
Compound_234	CCCCOC(=O)N	0.48	0.0
Compound_235	C=CCCCCC=C	0.97	1.0
Compound_236	CC(OCCOC(=O)C)C	0.69	1.0
Compound_237	CC(OCC1OC1)C	0.76	1.0
Compound_238	CCNCCC	0.93	1.0
Compound_239	Oc1ccc(cc1)N(=O)=O	0.99	1.0
Compound_240	Cn1cc[nH]c1=S	0.01	0.0
Compound_241	CC(CSS(=O)(=O)C)O	0.45	0.0
Compound_242	OC(=O)c1ccc(o1)C(=O)O	0.21	0.0
Compound_243	C1CCC=CC1	0.91	1.0
Compound_244	COc1ccc(cc1)OC	0.84	1.0
Compound_245	C[C@H]([C@@H](C(=O)O)N)O	0.03	0.0
Compound_246	CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC	0.46	0.0
Compound_247	ClCCOCOCCCl	0.99	1.0
Compound_248	CC(OC(Cl)(C)C)(Cl)C	0.96	1.0
Compound_249	COc1ccc(cc1)N	0.97	1.0
Compound_250	C1CC2CC1C=C2	0.92	1.0
Compound_251	CCCCC(=O)CC	0.93	1.0
Compound_252	ClCC(OC(CCl)C)C	0.83	1.0
Compound_253	COC(=O)CC(=C)C(=O)OC	0.55	1.0
Compound_254	OC1CC(C)(C)N(C(C1)(C)C)C	0.02	0.0
Compound_255	OC(=O)C[C@@H](C(=O)O)N	0.03	0.0
Compound_256	C1CCCOCO1	0.92	1.0
Compound_257	Sc1ccccc1	0.98	1.0
Compound_258	OCC(N(C)C)(C)C	0.05	0.0
Compound_259	N[C@H](C(=O)O)Cc1cnc[nH]1	0.02	0.0
Compound_260	O=N(=O)c1ccc(cc1)N(=O)=O	0.99	1.0
Compound_261	Brc1ccccc1	1.0	1.0
Compound_262	CCCCCCN	0.79	1.0
Compound_263	CC1CNC(=S)N1	0.16	0.0
Compound_264	OC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.99	1.0
Compound_265	NC(=O)C[C@@H](C(=O)O)N	0.03	0.0
Compound_266	CNC(=O)ON=C(SC)C	0.04	0.0
Compound_267	COc1cccc(c1)OC	0.85	1.0
Compound_268	CCN(C(=O)CC(=O)C)CC	0.82	1.0
Compound_269	ON=C1CCCCC1	0.57	1.0
Compound_270	C=CC(OC(=O)C)COC(=O)C	0.39	0.0
Compound_271	Nc1nc(N)nc(n1)Cl	0.98	1.0
Compound_272	c1ccc2c(c1)occ2	0.99	1.0
Compound_273	COP(=O)(NC(=O)C)SC	0.91	1.0
Compound_274	OC(C(Cl)(Cl)Cl)O	0.32	0.0
Compound_275	CN1CCCCC1	0.21	0.0
Compound_276	Clc1ssc(=O)c1Cl	0.91	1.0
Compound_277	CN(c1ccc(cc1)C(c1ccc(c2c1cccc2)Nc1ccccc1)(c1ccc(cc1)N(C)C)O)C	0.94	1.0
Compound_278	N#Cc1ccccc1	0.99	1.0
Compound_279	BrC1(COCOC1)N(=O)=O	0.85	1.0
Compound_280	N#CC(C(=O)N)(Br)Br	0.95	1.0
Compound_281	OCCCN(C)C	0.74	1.0
Compound_282	CCOc1ccc(cc1)O	0.99	1.0
Compound_283	Fc1c[nH]c(=O)[nH]c1=O	0.03	0.0
Compound_284	OCCN1C(C)(C)CC(CC1(C)C)O	0.02	0.0
Compound_285	CN(NC(=O)CCC(=O)O)C	0.91	1.0
Compound_286	Clc1cccc(c1)Cl	0.96	1.0
Compound_287	OC(=O)Cc1ccc(cc1)O	0.81	1.0
Compound_288	CCNc1nc(N)nc(n1)Cl	0.92	1.0
Compound_289	CN1CCNCC1	0.16	0.0
Compound_290	CCCCCCCCOC(=O)C	0.96	1.0
Compound_291	C=CCSSCC=C	0.35	0.0
Compound_292	Oc1ccc(cc1)Cl	0.99	1.0
Compound_293	CNCCCN	0.47	0.0
Compound_294	C[C@@H]1OC(=O)[C@@H](OC1=O)C	0.51	1.0
Compound_295	CN1CN(C)CSC1=S	0.25	0.0
Compound_296	CN(P(=O)(N(C)C)N(C)C)C	0.94	1.0
Compound_297	O=C(C(C)C)OOC(C)(C)C	0.86	1.0
Compound_298	OP(=O)(CN(CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O)O	0.21	0.0
Compound_299	NC(=O)CC[C@@H](C(=O)O)N	0.01	0.0
Compound_300	CCC(CC(=O)CC)C	0.83	1.0
Compound_301	c1cc[n+]2c(c1)c1cccc[n+]1CC2	0.91	1.0
Compound_302	CCCCCC=CC	0.82	1.0
Compound_303	Cc1ccc(cc1)Cl	0.92	1.0
Compound_304	COP(=O)(OC=C(Cl)Cl)OC	0.04	0.0
Compound_305	C=COC1CCCCC1	0.99	1.0
Compound_306	OC(=O)C=Cc1ccccc1	0.83	1.0
Compound_307	C=Cc1ccc(cc1)O	0.97	1.0
Compound_308	NC(=O)c1ccccc1O	0.04	0.0
Compound_309	O=CCc1ccccc1	0.68	1.0
Compound_310	C[n+]1ccc(cc1)c1cc[n+](cc1)C	0.73	1.0
Compound_311	O=CC1CCC=CC1	0.9	1.0
Compound_312	CCOC(=O)CCC(=O)OCC	0.96	1.0
Compound_313	O=N(=O)c1ccccc1N(=O)=O	0.99	1.0
Compound_314	NC(=O)CCCCC(=O)N	0.19	0.0
Compound_315	OC(=O)COc1ccccc1	0.91	1.0
Compound_316	O=Cc1ccccc1C=O	0.95	1.0
Compound_317	Oc1ccc(c(c1)N(=O)=O)N	0.82	1.0
Compound_318	CCCCCCC(=O)C	0.92	1.0
Compound_319	CNC(=O)CSP(=O)(OC)OC	0.84	1.0
Compound_320	N[C@H](C(=O)O)C(C)C	0.02	0.0
Compound_321	CCCSSSC	0.85	1.0
Compound_322	ClN1C(=O)N(C(C1=O)(C)C)Br	0.9	1.0
Compound_323	Nc1ccc(c(c1)N(=O)=O)N	0.91	1.0
Compound_324	CSCC[C@@H](C(=O)O)N	0.01	0.0
Compound_325	CSCCC(C(=O)O)N	0.01	0.0
Compound_326	CNC(=O)CSP(=S)(OC)OC	0.88	1.0
Compound_327	O=C1N(C)CCCN1C	0.09	0.0
Compound_328	CCCCCC(CC)O	0.89	1.0
Compound_329	COc1ccc(cc1)C(=O)O	0.47	0.0
Compound_330	OC(=O)Cc1ccccc1	0.64	1.0
Compound_331	CC(=O)Nc1ccc(cc1)O	0.91	1.0
Compound_332	O=N(=O)c1cc(C)c(c(c1)N(=O)=O)O	0.98	1.0
Compound_333	C=CN1CCN(C1=O)C=C	0.04	0.0
Compound_334	c1ccc2c(c1)[nH]cc2	0.81	1.0
Compound_335	CCC1CCCCC1	0.97	1.0
Compound_336	SCc1ccccc1	0.84	1.0
Compound_337	COC(=O)C=C(OP(=O)(OC)OC)C	0.93	1.0
Compound_338	Clc1ccc(c(n1)C(=O)O)Cl	0.77	1.0
Compound_339	Clc1ccc(cc1)N(=O)=O	0.91	1.0
Compound_340	CC[C@@H]([C@@H](C(=O)O)N)C	0.02	0.0
Compound_341	COC(=O)c1ccccc1OC	0.93	1.0
Compound_342	O=C(C(C(=O)C)N=Nc1cc(ccc1Cl)C(=O)Nc1cc(Cl)ccc1C)Nc1cc(Cl)c(cc1Cl)NC(=O)C(C(=O)C)N=Nc1cc(ccc1Cl)C(=O)Nc1cc(Cl)ccc1C	0.3	0.0
Compound_343	CC(Nc1nc(N)nc(n1)Cl)C	0.98	1.0
Compound_344	OC(=O)C1C2CCC(C1C(=O)O)O2	0.88	1.0
Compound_345	Nc1nc(NC2CC2)nc(n1)N	0.95	1.0
Compound_346	C=CC(CCC=C(C)C)(O)C	0.21	0.0
Compound_347	CC(=O)Oc1ccccc1C(=O)O	0.01	0.0
Compound_348	CCCCCC(=O)OCCC	0.96	1.0
Compound_349	C=CC1CCCCC1	0.97	1.0
Compound_350	NCCN(CC)CC	0.75	1.0
Compound_351	Cc1ccc(cc1)C(=O)C	0.97	1.0
Compound_352	CN(CCCN(C)C)C	0.06	0.0
Compound_353	ClC(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)Cl	0.98	1.0
Compound_354	N[C@H](C(=O)O)CC(C)C	0.03	0.0
Compound_355	CCNC(=O)NC(=O)C(=NOC)C#N	0.09	0.0
Compound_356	Oc1ccc(c(c1)C)Cl	0.99	1.0
Compound_357	C=CC(=O)Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(C)cc(c1O)C(C)(C)C	0.94	1.0
Compound_358	CC(=O)OCCOCCOCCOC(=O)C	0.91	1.0
Compound_359	CCCSSCCC	0.92	1.0
Compound_360	Cc1c(cccc1N(=O)=O)N(=O)=O	0.99	1.0
Compound_361	Oc1ccc2c(c1)OCO2	0.97	1.0
Compound_362	OCCCCCCCCCO	0.97	1.0
Compound_363	COc1ccc(cc1)C(=O)C	0.94	1.0
Compound_364	CCCCCOC(=O)CCCCC	0.96	1.0
Compound_365	O=Cc1ccc(cc1C)C	0.98	1.0
Compound_366	CCCc1cc(=O)[nH]c(=S)[nH]1	0.88	1.0
Compound_367	Clc1cccc2c1[nH]c1cc3c(cc1c2=O)[nH]c1c(c3=O)cccc1Cl	0.93	1.0
Compound_368	FC(N1C(F)(F)C(F)(F)OC(C1(F)F)(F)F)(F)F	0.09	0.0
Compound_369	COC(=O)Cc1ccccc1	0.96	1.0
Compound_370	CS(=O)(=O)OCCCCOS(=O)(=O)C	0.92	1.0
Compound_371	N#Cc1c(Cl)cccc1Cl	0.98	1.0
Compound_372	COC(=O)C(=O)c1ccccc1	0.95	1.0
Compound_373	Clc1cc(N)c(c(c1)C(=O)O)Cl	0.18	0.0
Compound_374	COc1cc(C=O)ccc1OC	0.91	1.0
Compound_375	CNC(=O)ON=C(C(=O)N(C)C)SC	0.21	0.0
Compound_376	O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2	0.04	0.0
Compound_377	ClCCOP(=O)(OCCCl)OCCCl	0.98	1.0
Compound_378	O=C=Nc1ccc(cc1)Cl	0.36	0.0
Compound_379	BrCC(=O)c1ccc(cc1)O	0.98	1.0
Compound_380	CN1CCC[C@H]1c1cccnc1	0.01	0.0
Compound_381	Cc1ccc(c(c1O)C)C	0.98	1.0
Compound_382	CCCCOC(=O)CCCC	0.98	1.0
Compound_383	CC(=O)C=Cc1ccccc1	0.97	1.0
Compound_384	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.2	0.0
Compound_385	Brc1ccc(c(c1)Br)O	0.99	1.0
Compound_386	CCOC(=O)c1ccc(cc1)O	0.98	1.0
Compound_387	Clc1ccc(c(c1)Cl)N(=O)=O	0.68	1.0
Compound_388	O=C1OC(=O)c2c1c(Cl)ccc2	0.97	1.0
Compound_389	OS(=O)(=O)CCCN1CCOCC1	0.06	0.0
Compound_390	OC(=O)COc1nc(F)c(c(c1Cl)N)Cl	0.04	0.0
Compound_391	N#CCCCCCCC#N	0.93	1.0
Compound_392	O=C1OC(=O)C2C1C(C)C=CC2	0.68	1.0
Compound_393	OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	0.29	0.0
Compound_394	Clc1ccc2c(c1)C(=O)OC2=O	0.99	1.0
Compound_395	FC(=C(F)F)OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F	0.7	1.0
Compound_396	C#CC(CCC=C(C)C)(O)C	0.11	0.0
Compound_397	OC[C@H]([C@H]([C@H](C=O)O)O)O	0.33	0.0
Compound_398	COc1c(Cl)ccc(c1C(=O)O)Cl	0.92	1.0
Compound_399	CCOC(=O)Cc1ccccc1	0.94	1.0
Compound_400	CCCCOC(=O)OOC(=O)OCCCC	0.74	1.0
Compound_401	c1scc(n1)c1nc2c([nH]1)cccc2	0.03	0.0
Compound_402	OCC1CCC(CC1)CO	0.97	1.0
Compound_403	FC(C(C(S(=O)(=O)O)(F)F)(F)F)(C(F)(F)F)F	0.99	1.0
Compound_404	FC(C(C(S(=O)(=O)[O-])(F)F)(F)F)(C(F)(F)F)F	0.99	1.0
Compound_405	Cc1cc(C)c(c(c1)O)C	0.98	1.0
Compound_406	OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O	0.28	0.0
Compound_407	CCS(=O)CCSP(=O)(OC)OC	0.17	0.0
Compound_408	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C	0.39	0.0
Compound_409	CCOc1snc(n1)C(Cl)(Cl)Cl	0.75	1.0
Compound_410	CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC	0.06	0.0
Compound_411	CCCSSSCCC	0.94	1.0
Compound_412	CNC(=O)ON=CC(SC)(C)C	0.26	0.0
Compound_413	O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2	0.7	1.0
Compound_414	N#Cc1cc(Br)c(c(c1)Br)O	0.23	0.0
Compound_415	CSc1nnc(c(=O)n1N)C(C)(C)C	0.11	0.0
Compound_416	CCNc1nc(NCC)nc(n1)Cl	0.95	1.0
Compound_417	CCCCCCCCCC(=O)C	0.96	1.0
Compound_418	CCCN(C(=O)SCC)CCC	0.98	1.0
Compound_419	Clc1cc(Cl)c(c(c1)Cl)N	0.97	1.0
Compound_420	C=CCCCCCCCCC(=O)OC	0.97	1.0
Compound_421	CCNc1nc(NC(C)C)nc(n1)Cl	0.95	1.0
Compound_422	COC(=O)Nc1nc2c([nH]1)cccc2	0.89	1.0
Compound_423	C=COC(=O)CCCCC(C)(C)C	0.83	1.0
Compound_424	O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C	0.77	1.0
Compound_425	Cc1cc(N)c(cc1C)C	1.0	1.0
Compound_426	COc1ccc(cc1)CC(=O)C	0.93	1.0
Compound_427	CCC(c1ccccc1)C	0.98	1.0
Compound_428	CC(OC(=O)Nc1ccccc1)C	0.96	1.0
Compound_429	COP(=S)(Oc1ccc(cc1)N(=O)=O)OC	1.0	1.0
Compound_430	CC(C1CCCCC1)C	0.87	1.0
Compound_431	CC(=C)C1CCC(CC1)(C)O	0.37	0.0
Compound_432	CCc1ccc(c(c1)OC)O	0.84	1.0
Compound_433	C=C1C2CCC(C1(C)C)C2	0.96	1.0
Compound_434	COc1ccc(cc1)CCC(=O)C	0.93	1.0
Compound_435	CCCCCCCCCOC(=O)C	0.96	1.0
Compound_436	O=CCC(CCC=C(C)C)C	0.14	0.0
Compound_437	OC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_438	O=COCCC(CCC=C(C)C)C	0.62	1.0
Compound_439	N#Cc1ccc(c(c1)O)O	0.99	1.0
Compound_440	Clc1ccc(cc1)C(Cl)(Cl)Cl	0.89	1.0
Compound_441	OCCCNC(=O)[C@@H](C(CO)(C)C)O	0.03	0.0
Compound_442	CC(Cc1ccccc1)(O)C	0.89	1.0
Compound_443	CCCCNC(=O)OCC#CI	0.21	0.0
Compound_444	O=C(Nc1cnns1)Nc1ccccc1	0.86	1.0
Compound_445	C=CCOC(=O)COc1ccccc1	0.99	1.0
Compound_446	OC(=O)[C@H](Cc1ccc(cc1)O)N	0.02	0.0
Compound_447	Nc1cccc2c1cccc2N	0.99	1.0
Compound_448	CCSCSP(=S)(OCC)OCC	0.92	1.0
Compound_449	CCCCCCC=CC(=O)C	0.96	1.0
Compound_450	CCN(c1nc(=O)cc([nH]1)C)CC	0.2	0.0
Compound_451	CNC(=O)Oc1cc(C)c(c(c1)C)SC	0.94	1.0
Compound_452	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1c(Cl)nc2n1cccc2	0.26	0.0
Compound_453	OCc1ccc(cc1Cl)Cl	0.13	0.0
Compound_454	CC(=C)[C@@H]1CC=C(C(=O)C1)C	0.78	1.0
Compound_455	CCC(N(=O)=O)CN1CCOCC1	0.15	0.0
Compound_456	OC(C[n+]1ccccc1)CS(=O)(=O)[O-]	0.25	0.0
Compound_457	CN(CCN1CCN(CC1)C)C	0.07	0.0
Compound_458	NCCc1ccc(cc1)O	0.02	0.0
Compound_459	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	0.93	1.0
Compound_460	CCSC(=O)N1CCCCCC1	0.06	0.0
Compound_461	C=COCC1CCC(CC1)COC=C	0.93	1.0
Compound_462	CC1=CC[C@H](CC1)C(=C)C	0.59	1.0
Compound_463	CC1=CCC(CC1)C(=C)C	0.59	1.0
Compound_464	CC1=CC[C@@H](CC1)C(=C)C	0.59	1.0
Compound_465	O=c1c2cccc3c2c(c2n1c1cccc4c1c(n2)ccc4)ccc3	0.04	0.0
Compound_466	CC(OC(=O)c1ccc(cc1)O)C	0.97	1.0
Compound_467	CCCCCCCCOC(=O)CCC	0.95	1.0
Compound_468	CCC(OOC(C)(C)C)(OOC(C)(C)C)C	0.76	1.0
Compound_469	CCCOC(=O)c1ccc(cn1)C(=O)OCCC	0.11	0.0
Compound_470	N#CC=C(CCC=C(C)C)C	0.45	0.0
Compound_471	N[C@H](C(=O)O)CSSC[C@@H](C(=O)O)N	0.01	0.0
Compound_472	c1ccc2c(c1)oc1c2cccc1	1.0	1.0
Compound_473	OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl	0.13	0.0
Compound_474	CCOCCOCCOCCOC(=O)C(=C)C	0.89	1.0
Compound_475	COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(n1)C	0.08	0.0
Compound_476	CSC(=O)c1cccc2c1snn2	0.7	1.0
Compound_477	CCCCOC(=O)c1ccccc1C(=O)O	0.92	1.0
Compound_478	Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C	0.16	0.0
Compound_479	CNC(=O)N(c1nnc(s1)C(C)(C)C)C	0.61	1.0
Compound_480	COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl	0.61	1.0
Compound_481	CC(OC(=O)Nc1cccc(c1)Cl)C	0.99	1.0
Compound_482	CC1=CCC(CC1)(O)C(C)C	0.1	0.0
Compound_483	Brc1cc2c3c4c1cccc4c(=O)c1c3c3c(c2=O)cccc3c(c1)Br	1.0	1.0
Compound_484	Brc1c(O)c(Br)c(c(c1Br)Br)Br	0.97	1.0
Compound_485	Ic1cc(Cl)c2c(c1O)nccc2	0.71	1.0
Compound_486	CCC(c1ccccc1)(C)C	0.97	1.0
Compound_487	C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C	0.07	0.0
Compound_488	CC1CCC(C(C1)O)C(C)C	0.05	0.0
Compound_489	C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C	0.07	0.0
Compound_490	CSc1nc(NC2CC2)nc(n1)NC(C)(C)C	0.51	1.0
Compound_491	OCC1=CCC(CC1)C(=C)C	0.35	0.0
Compound_492	CC(c1ccc(c(c1)O)C)C	0.79	1.0
Compound_493	CCN1CN(CC)CN(C1)CC	0.26	0.0
Compound_494	O=C(Oc1ccccc1)Oc1ccccc1	0.93	1.0
Compound_495	CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_496	COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC	0.46	0.0
Compound_497	CC(CCc1ccccc1)(O)C	0.4	0.0
Compound_498	CCOC(=O)Nc1cccc(c1)OC(=O)Nc1ccccc1	0.59	1.0
Compound_499	CCCCCCCCCCCC(=O)OC=C	0.97	1.0
Compound_500	NCCCNCCCN(C)C	0.16	0.0
Compound_501	O=C(Nc1ccnc(c1)Cl)Nc1ccccc1	0.76	1.0
Compound_502	O1CCN(CC1)CN1CCOCC1	0.27	0.0
Compound_503	CCSCCSP(=S)(OCC)OCC	0.68	1.0
Compound_504	CC(Nc1nc(NC(C)C)nc(n1)Cl)C	0.96	1.0
Compound_505	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(F)(F)F	0.42	0.0
Compound_506	OC(=O)CSc1nc2c(s1)cccc2	0.8	1.0
Compound_507	CCC(=O)Nc1ccc(c(c1)Cl)Cl	0.99	1.0
Compound_508	NCCCCCCCCCCN	0.71	1.0
Compound_509	CCCC(=O)OCCc1ccccc1	0.97	1.0
Compound_510	CC(C(=O)OCc1ccccc1)C	0.95	1.0
Compound_511	ClCC(=O)N(c1ccccc1)C(C)C	0.95	1.0
Compound_512	O=C=NCc1cccc(c1)CN=C=O	0.04	0.0
Compound_513	CCC=C1OC(=O)c2c1cccc2	0.91	1.0
Compound_514	COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F	0.84	1.0
Compound_515	COC(=O)CCCCCCCCC(=O)OC	0.6	1.0
Compound_516	OC(=O)[C@H](Oc1ccc(cc1C)Cl)C	0.9	1.0
Compound_517	N#CSCSc1nc2c(s1)cccc2	0.96	1.0
Compound_518	Cc1ccc(c2c1cccc2)C	0.99	1.0
Compound_519	CCNc1nc(Cl)nc(n1)NC(C)(C)C	0.36	0.0
Compound_520	CN(c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O	0.9	1.0
Compound_521	BrCC(=O)OCC=CCOC(=O)CBr	0.9	1.0
Compound_522	COCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.06	0.0
Compound_523	CC(c1ccc(cc1)S(=O)(=O)O)C	0.4	0.0
Compound_524	CCN(C(=O)SCC)C1CCCCC1	0.69	1.0
Compound_525	CCCSP(=O)(SCCC)OCC	0.94	1.0
Compound_526	c1ccc2c(c1)sc1c2cccc1	1.0	1.0
Compound_527	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	0.98	1.0
Compound_528	CC(OC(=S)SSC(=S)OC(C)C)C	0.97	1.0
Compound_529	COc1nc(NC(C)C)nc(n1)NC(C)C	0.72	1.0
Compound_530	OC(=O)C1C(C(=O)O)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl	0.38	0.0
Compound_531	c1ccc(cc1)N=Nc1ccccc1	0.89	1.0
Compound_532	O=C(NS(=O)(=O)c1ccccc1C(=O)OC1COC1)Nc1nc(C)cc(n1)C	0.14	0.0
Compound_533	CC(COC(=O)CCc1ccco1)C	0.87	1.0
Compound_534	CNC(=O)Oc1cccc2c1cccc2	0.84	1.0
Compound_535	COC(=O)N(C(=O)N1CO[C@@]2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F	0.04	0.0
Compound_536	CCCCC(COC(=O)CCS)CC	0.96	1.0
Compound_537	CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C	0.02	0.0
Compound_538	Cc1cnc(c(c1)C(=O)O)C1=NC(=O)C(N1)(C)C(C)C	0.06	0.0
Compound_539	OC(Cc1ccccc1)CC(C)C	0.69	1.0
Compound_540	CC(OC(=O)CCCCC(=O)OC(C)C)C	0.75	1.0
Compound_541	CCNc1nc(nc(n1)Cl)NC(C#N)(C)C	0.08	0.0
Compound_542	COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C	0.75	1.0
Compound_543	c1ccc(cc1)NNc1ccccc1	0.87	1.0
Compound_544	CCOP(=S)(Oc1ccc(cc1)N(=O)=O)OCC	1.0	1.0
Compound_545	NCCCOCCCCOCCCN	0.49	0.0
Compound_546	CCC(OOC(CC)(C)C)(OOC(CC)(C)C)C	0.76	1.0
Compound_547	O=C1OCCN1N=Cc1ccc(o1)N(=O)=O	0.05	0.0
Compound_548	C=CC(OC(=O)C(C)C)(CCC=C(C)C)C	0.48	0.0
Compound_549	OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N	0.01	0.0
Compound_550	CC(=O)OC(C1CCC(=CC1)C)(C)C	0.34	0.0
Compound_551	N#CCNC(=O)c1cnccc1C(F)(F)F	0.03	0.0
Compound_552	O1COC2C(C1)Cc1c2cccc1	0.92	1.0
Compound_553	COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F	0.42	0.0
Compound_554	CCCOC(=O)c1cc(O)c(c(c1)O)O	0.67	1.0
Compound_555	O=Nc1ccc(cc1)Nc1ccccc1	0.98	1.0
Compound_556	O=P1Oc2ccccc2c2c1cccc2	0.94	1.0
Compound_557	CCCCCCCCCCOC(=O)C(=C)C	0.99	1.0
Compound_558	COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC	0.98	1.0
Compound_559	NCCCCCCCCCCCC(=O)O	0.01	0.0
Compound_560	CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C	0.04	0.0
Compound_561	N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl	0.98	1.0
Compound_562	CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C	0.34	0.0
Compound_563	CCC1(C(=O)NC(=O)NC1=O)c1ccccc1	0.65	1.0
Compound_564	COc1cc(NS(=O)(=O)c2ccc(cc2)C)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.29	0.0
Compound_565	CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C	0.95	1.0
Compound_566	COP(=S)(Oc1ccc(c(c1)C)N(=O)=O)OC	0.99	1.0
Compound_567	CCOc1cc(ccc1C)C(C)C	0.7	1.0
Compound_568	FC(C(C(F)(F)F)(F)F)(N(C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)F	0.25	0.0
Compound_569	O=C1c2ccccc2SC1=C1Sc2c(C1=O)cccc2	0.93	1.0
Compound_570	Cc1cc(C)nc(n1)Nc1ccccc1	0.98	1.0
Compound_571	CC(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C	0.2	0.0
Compound_572	Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N	0.98	1.0
Compound_573	FC(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_574	CSc1nc(NC(C)C)nc(n1)NC(C)C	0.07	0.0
Compound_575	CNC(=O)Oc1ccccc1OC(C)C	0.88	1.0
Compound_576	CCOP(=S)(SCSC(C)(C)C)OCC	0.99	1.0
Compound_577	CSc1ccc(cc1C)OP(=S)(OC)OC	0.98	1.0
Compound_578	Nc1ccn(c(=O)n1)[C@H]1CC[C@H](O1)CO	0.02	0.0
Compound_579	CCc1cc(SCc2sc(nc2CN2CCN(CC2)c2ccc(cc2)OC)c2ccc(cc2)C(F)(F)F)ccc1OCC(=O)O	0.18	0.0
Compound_580	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.1	0.0
Compound_581	Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H]([C@@H]([C@H]1Cl)Cl)Cl	0.1	0.0
Compound_582	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H]([C@@H]([C@H]1Cl)Cl)Cl	0.1	0.0
Compound_583	Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@@H]([C@@H]([C@H]1Cl)Cl)Cl	0.1	0.0
Compound_584	Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl	0.1	0.0
Compound_585	Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@@H]([C@H]1Cl)Cl)Cl	0.1	0.0
Compound_586	COCCOC(OCc1ccccc1)C	0.9	1.0
Compound_587	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC	0.22	0.0
Compound_588	CC(CC(=O)OCc1ccccc1)C	0.97	1.0
Compound_589	CC(C1(C)N=C(NC1=O)c1ncccc1C(=O)O)C	0.04	0.0
Compound_590	CCCC(=O)OCC=Cc1ccccc1	0.98	1.0
Compound_591	Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl	0.99	1.0
Compound_592	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl	0.06	0.0
Compound_593	CCCC[C@H]([C@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@H](C[C@@H](CCCC[C@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C	0.03	0.0
Compound_594	CCNC(=O)[C@H](OC(=O)Nc1ccccc1)C	0.12	0.0
Compound_595	O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.92	1.0
Compound_596	CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC	0.26	0.0
Compound_597	N#CC(N=NC(C#N)(CCC(=O)O)C)(CCC(=O)O)C	0.04	0.0
Compound_598	COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C	0.17	0.0
Compound_599	O=N(=O)c1cc(C2CCCCC2)c(c(c1)N(=O)=O)O	0.76	1.0
Compound_600	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC	0.24	0.0
Compound_601	CCC(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C	0.51	1.0
Compound_602	CCOP(=S)(OP(=S)(OCC)OCC)OCC	0.89	1.0
Compound_603	CC(=O)N1CCN(CC1)c1ccc(cc1)O	0.03	0.0
Compound_604	IC(S(=O)(=O)c1ccc(cc1)C)I	0.98	1.0
Compound_605	CCC(Nc1c(cc(c(c1N(=O)=O)C)C)N(=O)=O)CC	0.08	0.0
Compound_606	Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N	0.01	0.0
Compound_607	Clc1ccc(c(c1)Cl)NC(=O)C1(CC1)C(=O)O	0.15	0.0
Compound_608	COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C	1.0	1.0
Compound_609	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_610	COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC	0.95	1.0
Compound_611	OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_612	CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C	0.29	0.0
Compound_613	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	0.97	1.0
Compound_614	CNC(=O)Oc1cccc2c1OC(C2)(C)C	0.91	1.0
Compound_615	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl	0.05	0.0
Compound_616	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC	0.23	0.0
Compound_617	O=C1NC(=O)N(C1)N=Cc1ccc(o1)N(=O)=O	0.04	0.0
Compound_618	c1ccc(cc1)CNc1[nH]cnc2c1ncn2	0.43	0.0
Compound_619	COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C	0.97	1.0
Compound_620	Oc1ccc(cc1)NS(=O)(=O)c1ccccc1	0.61	1.0
Compound_621	C#CC(NC(=O)c1cc(Cl)cc(c1)Cl)(C)C	0.89	1.0
Compound_622	CCOCN(c1c(C)cccc1CC)C(=O)CCl	0.99	1.0
Compound_623	O=C(c1ccccc1)c1ccc(cc1)OC(=O)C(=C)C	0.92	1.0
Compound_624	Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1	0.97	1.0
Compound_625	COP(=S)(Oc1cc(Cl)c(cc1Cl)Cl)OC	0.73	1.0
Compound_626	CC=C1CC2CC1C1C2C2CC1C=C2	0.91	1.0
Compound_627	O=C(C1=C(C)OCCS1)Nc1ccccc1	0.11	0.0
Compound_628	CC(CCOC(=O)Cc1ccccc1)C	0.94	1.0
Compound_629	O=C(c1ccccc1C(=O)O)OCc1ccccc1	0.97	1.0
Compound_630	COP(=S)(Oc1cc(Cl)c(cc1Cl)Br)OC	0.91	1.0
Compound_631	CCCC(COC(=O)N)(COC(=O)NC(C)C)C	0.01	0.0
Compound_632	c1ccc2c(c1)c1cccc3c1c2ccc3	1.0	1.0
Compound_633	CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl	0.96	1.0
Compound_634	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	0.88	1.0
Compound_635	O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C	0.93	1.0
Compound_636	OC[C@H]([C@H]([C@@H]([C@H](CN(C)C)O)O)O)O	0.07	0.0
Compound_637	O=c1nc(N(C)C)n(c(=O)n1C1CCCCC1)C	0.08	0.0
Compound_638	ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl	0.83	1.0
Compound_639	Cc1nc(Nc2ccccc2)nc(c1)C1CC1	0.96	1.0
Compound_640	C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl	0.91	1.0
Compound_641	CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C	0.92	1.0
Compound_642	CCOC(C=C(CCC=C(C)C)C)OCC	0.69	1.0
Compound_643	CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C	0.88	1.0
Compound_644	CCCCCCCCn1sccc1=O	0.76	1.0
Compound_645	CCCCCCCCC1CCC(=O)O1	0.88	1.0
Compound_646	CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.9	1.0
Compound_647	CCC1(C(=O)NCNC1=O)c1ccccc1	0.09	0.0
Compound_648	OC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_649	C=CCOC(=O)C1CCCCC1C(=O)OCC=C	0.96	1.0
Compound_650	COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C	0.42	0.0
Compound_651	Oc1ccc(c2c1C(=O)c1c(ccc(c1C2=O)Nc1ccc(cc1)C(C)(C)C)Nc1ccc(cc1)C(C)(C)C)O	0.98	1.0
Compound_652	ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl	0.93	1.0
Compound_653	O=C(N1CC(OC1(C)C)c1ccco1)C(Cl)Cl	0.35	0.0
Compound_654	OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_655	CCN(C(=O)SCc1ccc(cc1)Cl)CC	0.98	1.0
Compound_656	CN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.65	1.0
Compound_657	CC#Cc1nc(Nc2ccccc2)nc(c1)C	0.97	1.0
Compound_658	Clc1ccc(c(c1)Cc1ccccc1)O	0.97	1.0
Compound_659	CC(CC(=O)OCCc1ccccc1)C	0.94	1.0
Compound_660	CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC	0.07	0.0
Compound_661	ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl	0.95	1.0
Compound_662	CCCCCCCCCCCCNC(=N)N	0.61	1.0
Compound_663	C=C1CC[C@H]2O[C@@]2(CC[C@@H]2[C@@H]1CC2(C)C)C	0.65	1.0
Compound_664	CCCCCCc1ccc(cc1O)O	0.97	1.0
Compound_665	CCOP(=S)(OCC)SCSP(=S)(OCC)OCC	0.98	1.0
Compound_666	Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1	0.06	0.0
Compound_667	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC	0.14	0.0
Compound_668	OCCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.46	0.0
Compound_669	N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F	0.94	1.0
Compound_670	Clc1cc2c(cc1Cl)oc1c2cc(Cl)c(c1Cl)Cl	1.0	1.0
Compound_671	CCCCCCCCOC(=O)CCCCCCC	0.94	1.0
Compound_672	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl	0.97	1.0
Compound_673	O=c1n(CC2OC2)c(=O)n(c(=O)n1CC1OC1)CC1OC1	0.01	0.0
Compound_674	O=C(Nc1ccccc1)NC1CCCCC1C	0.36	0.0
Compound_675	CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C	0.15	0.0
Compound_676	CCCCCCCCCc1ccc(cc1)O	0.97	1.0
Compound_677	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1[C@H]1[C@@H]2O1)(Cl)Cl)Cl	0.89	1.0
Compound_678	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@@H]2C[C@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl	0.89	1.0
Compound_679	O(Cc1ccccc1)Cc1ccccc1	0.97	1.0
Compound_680	CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC	0.43	0.0
Compound_681	COCN(c1c(CC)cccc1CC)C(=O)CCl	0.99	1.0
Compound_682	O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl	0.97	1.0
Compound_683	CCCCCCCCc1ccc(cc1)O	0.97	1.0
Compound_684	CCOC(=O)CCCCCCCCC(=O)OCC	0.92	1.0
Compound_685	CC(=C)C(=O)OC1CCC(CC1)C(C)(C)C	0.79	1.0
Compound_686	CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC	0.95	1.0
Compound_687	CCCCCCCCCCCCP(=O)(O)O	0.67	1.0
Compound_688	Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl	0.98	1.0
Compound_689	Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl	0.99	1.0
Compound_690	ClC1=C(Cl)C2(C(C1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl	0.97	1.0
Compound_691	CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl	0.12	0.0
Compound_692	O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.99	1.0
Compound_693	O=[S@@]1OC[C@@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.99	1.0
Compound_694	N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.06	0.0
Compound_695	ClC12C(Cl)(Cl)C3(C4(C1(Cl)C1(C2(Cl)C3(C4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl	0.95	1.0
Compound_696	ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl	0.78	1.0
Compound_697	CC(Nc1nc(Cl)nc(n1)Cl)(CC(C)(C)C)C	0.34	0.0
Compound_698	O=C(C1=C(C)OCCS1(=O)=O)Nc1ccccc1	0.34	0.0
Compound_699	N#Cc1c([nH]c(c1Br)C(F)(F)F)c1ccc(cc1)Cl	0.96	1.0
Compound_700	COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC	0.98	1.0
Compound_701	c1ccc2c(c1)c1cc3ccccc3c3c1c2ccc3	1.0	1.0
Compound_702	OC(=O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_703	NC(=O)N1c2ccccc2C=Cc2c1cccc2	0.01	0.0
Compound_704	Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl	0.99	1.0
Compound_705	Cl[C@H]1[C@H]2O[C@H]2[C@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl	0.23	0.0
Compound_706	CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C	0.25	0.0
Compound_707	OC(=O)C(=O)Nc1cc(C)c(c(c1)C)Oc1ccc(c2c1CCC2)O	0.42	0.0
Compound_708	CCCCCCCCCCCCCCCCC	1.0	1.0
Compound_709	CCc1nc(N)nc(c1c1ccc(cc1)Cl)N	0.06	0.0
Compound_710	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	0.79	1.0
Compound_711	CCOP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OCC	0.92	1.0
Compound_712	N#CNC(=N)NCCCCCCNC(=N)NC#N	0.3	0.0
Compound_713	O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C	0.87	1.0
Compound_714	COCC(N(c1c(C)cccc1CC)C(=O)CCl)C	0.99	1.0
Compound_715	c1ccc2c(c1)cc1c(c2)ccc2c1cccc2	1.0	1.0
Compound_716	CC(=C)C(=O)OCCN1CCOC21CCCCC2	0.03	0.0
Compound_717	OCCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC	0.43	0.0
Compound_718	COc1cc(ccc1N)c1ccc(c(c1)OC)N	0.99	1.0
Compound_719	CC(OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1)C	0.11	0.0
Compound_720	OC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.0	1.0
Compound_721	Brc1cc(Br)c(c(c1)Br)N(c1c(cc(cc1C(F)(F)F)N(=O)=O)N(=O)=O)C	0.92	1.0
Compound_722	OCCC1CCCCN1C(=O)OC(CC)C	0.12	0.0
Compound_723	O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C	0.62	1.0
Compound_724	c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3	1.0	1.0
Compound_725	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C	0.44	0.0
Compound_726	CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C	0.93	1.0
Compound_727	CCNc1cc(C#N)c(c2c1C(=O)c1c(C2=O)cccc1)N	0.32	0.0
Compound_728	CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@@H]1Cc3c(C(=O)C1=C2O)c(O)ccc3N(C)C)O)O)C	0.06	0.0
Compound_729	CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C	0.98	1.0
Compound_730	CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC	0.06	0.0
Compound_731	O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl	0.99	1.0
Compound_732	c1ccc2c(c1)c1ccc3c(c1cc2)cccc3	1.0	1.0
Compound_733	CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C	0.83	1.0
Compound_734	COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C	0.76	1.0
Compound_735	COCC(=O)N(c1c(C)cccc1C)[C@@H](C(=O)OC)C	0.76	1.0
Compound_736	Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(=O)=O	0.99	1.0
Compound_737	c1ccc2c(c1)cc1c(c2)c2c3c1cccc3ccc2	1.0	1.0
Compound_738	CCCCC(C(=O)OOC(CC(C)(C)C)(C)C)CC	0.8	1.0
Compound_739	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2)C(=O)Nc1ccccc1	0.08	0.0
Compound_740	CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2	0.01	0.0
Compound_741	CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl	0.94	1.0
Compound_742	N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl	0.8	1.0
Compound_743	CCCCCCCCCC=CCC1CC(=O)OC1=O	0.81	1.0
Compound_744	CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1[C@@H](O)[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C	0.19	0.0
Compound_745	O=C1NC(=O)NC1(c1ccccc1)c1ccccc1	0.02	0.0
Compound_746	O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O	0.01	0.0
Compound_747	CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)c1ccc(cc1Cl)Cl	0.63	1.0
Compound_748	CCCCCCCCCc1nc(N)nc(n1)N	0.57	1.0
Compound_749	Clc1cc(cnc1Nc1c(cc(c(c1N(=O)=O)Cl)C(F)(F)F)N(=O)=O)C(F)(F)F	0.51	1.0
Compound_750	Nc1ccc(cc1S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O	0.86	1.0
Compound_751	FC(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.98	1.0
Compound_752	CCCCC(=O)N([C@H](C(=O)OCc1ccccc1)C(C)C)Cc1ccc(cc1)c1ccccc1c1nn[nH]n1	0.12	0.0
Compound_753	Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1cccc(c1)OS(=O)(=O)c1ccc(cc1)C	0.81	1.0
Compound_754	CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1	0.31	0.0
Compound_755	CCCCCCCCn1sc(c(c1=O)Cl)Cl	0.71	1.0
Compound_756	CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC	0.03	0.0
Compound_757	COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C	0.97	1.0
Compound_758	O=C(C=Cc1ccccc1)OCc1ccccc1	0.97	1.0
Compound_759	Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1	0.09	0.0
Compound_760	CCCCCCC(CCCCCCCCCCCO)O	0.96	1.0
Compound_761	Clc1ccc2c(c1)CC1C2(O)N=C(S1)c1ccccc1	0.17	0.0
Compound_762	OCC=C(CCC=C(CCC=C(C)C)C)C	0.2	0.0
Compound_763	CCC(Nc1c(cc(cc1N(=O)=O)C(C)(C)C)N(=O)=O)C	0.81	1.0
Compound_764	Cc1ccc(cc1)Nc1ccc2c3c1c(=O)c1ccccc1c3cc(=O)n2C	0.33	0.0
Compound_765	Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C	0.33	0.0
Compound_766	CC(CC(CC(C)(C)C)(C)C)CC(C)(C)C	0.99	1.0
Compound_767	BrCC(COc1c(Br)cc(cc1Br)Br)Br	0.82	1.0
Compound_768	CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC	0.41	0.0
Compound_769	CC1CCCCCCCCCCCCC(=O)C1	0.95	1.0
Compound_770	CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C	0.58	1.0
Compound_771	CCn1nc(c2c1C(=O)NCC(=N2)c1ccc(cc1)O)C	0.0	0.0
Compound_772	CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C	0.95	1.0
Compound_773	CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C	0.95	1.0
Compound_774	ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F	0.44	0.0
Compound_775	Clc1ccc(cc1)C(C(=O)C1C(=O)c2c(C1=O)cccc2)c1ccccc1	0.97	1.0
Compound_776	c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4	1.0	1.0
Compound_777	CCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CC(=C)C	0.32	0.0
Compound_778	O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O	0.42	0.0
Compound_779	CCC(C(=O)CCl)(NC(=O)c1cc(Cl)c(c(c1)Cl)C)C	0.74	1.0
Compound_780	CCCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_781	C=CC(OC(=O)C=Cc1ccccc1)(CCC=C(C)C)C	0.46	0.0
Compound_782	Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O	0.99	1.0
Compound_783	CCNc1nc(c(s1)C(=O)NC(c1cccs1)C#N)CC	0.09	0.0
Compound_784	OC[C@H]1O[C@H](C[C@@H]1N=N#N)n1cc(C)c(=O)[nH]c1=O	0.0	0.0
Compound_785	CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C	0.96	1.0
Compound_786	OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl	0.97	1.0
Compound_787	N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C	0.99	1.0
Compound_788	CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C	0.04	0.0
Compound_789	CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C	0.96	1.0
Compound_790	c1ccc2c(c1)c1cc3cccc4c3c3c1c2ccc3cc4	1.0	1.0
Compound_791	Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F	0.4	0.0
Compound_792	CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C	0.5	0.0
Compound_793	c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2	1.0	1.0
Compound_794	O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2	0.0	0.0
Compound_795	CC(c1ccc(cc1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C	0.96	1.0
Compound_796	CCOP(=S)(c1ccccc1)Oc1ccc(cc1)N(=O)=O	0.99	1.0
Compound_797	C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl	0.86	1.0
Compound_798	CCOc1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F	0.96	1.0
Compound_799	CCCN(c1c(cc(c(c1N(=O)=O)N)C(F)(F)F)N(=O)=O)CCC	0.11	0.0
Compound_800	COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C	0.98	1.0
Compound_801	Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F	0.69	1.0
Compound_802	CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N	0.83	1.0
Compound_803	Brc1ccc(c(c1)Br)Oc1ccc(cc1Br)Br	1.0	1.0
Compound_804	Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1cnn(c1O)C	0.04	0.0
Compound_805	CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C	0.52	1.0
Compound_806	CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC	0.96	1.0
Compound_807	N=C(NC(=N)Nc1ccc(cc1)Cl)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	0.03	0.0
Compound_808	ClCCOS(=O)OC(COc1ccc(cc1)C(C)(C)C)C	0.84	1.0
Compound_809	CCCCCCCCCc1ccc(cc1)OCC(=O)O	0.98	1.0
Compound_810	CCOC(=O)c1ccc(cc1)N=CN(c1ccccc1)C	0.34	0.0
Compound_811	CCCCCCCCCCCCCCCCCCCCCCCCO	0.98	1.0
Compound_812	CCCN(c1c(cc(cc1N(=O)=O)S(=O)(=O)N)N(=O)=O)CCC	0.05	0.0
Compound_813	CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C	0.02	0.0
Compound_814	CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C	0.91	1.0
Compound_815	O=C1Nc2ccc(cc2C(=NC1O)c1ccccc1)Cl	0.01	0.0
Compound_816	ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl	0.96	1.0
Compound_817	CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C	0.91	1.0
Compound_818	CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C	0.91	1.0
Compound_819	CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F	0.07	0.0
Compound_820	CCCCCCCCC(=O)NCc1ccc(c(c1)OC)O	0.07	0.0
Compound_821	Clc1ccc2c(c1Cl)c(=O)c1c([nH]2)cc2c(c1)[nH]c1c(c2=O)cccc1	0.94	1.0
Compound_822	CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl	0.4	0.0
Compound_823	C#CCN1CC(=O)N(C1=O)COC(=O)C1C(C1(C)C)C=C(C)C	0.14	0.0
Compound_824	CCCCC(COC(=O)COc1ccc(cc1C)Cl)CC	0.95	1.0
Compound_825	OC1CCC(CC1)C1CC2CC1C(C2(C)C)C	0.13	0.0
Compound_826	Clc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccccc1Cl	0.85	1.0
Compound_827	COC(=O)c1ccc(cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)CNS(=O)(=O)C	0.12	0.0
Compound_828	C[C@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1	0.74	1.0
Compound_829	O[C@@H](C(C)(C)C)[C@@H](n1ncnc1)Cc1ccc(cc1)Cl	0.98	1.0
Compound_830	CC(OC(=O)N[C@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C	0.23	0.0
Compound_831	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	0.25	0.0
Compound_832	N#C[C@@]1(CC[C@@H](CC1)C(=O)O)c1ccc2c(c1)n(nc2CC)C1CCCCC1	0.21	0.0
Compound_833	Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O	0.89	1.0
Compound_834	Clc1cc(Cl)c(cc1c1cc(Cl)c(cc1Cl)Cl)Cl	1.0	1.0
Compound_835	CCCCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CC	0.8	1.0
Compound_836	CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC	0.88	1.0
Compound_837	C#CCOc1cc(c(cc1Cl)Cl)n1nc2n(c1=O)CCCC2	0.04	0.0
Compound_838	CCCCC(CN1C(=O)C2C(C1=O)C1CC2C=C1)CC	0.36	0.0
Compound_839	Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2	0.65	1.0
Compound_840	CN[C@H]1CC[C@H](c2c1cc(cc2)S(=O)(=O)N)c1ccc(c(c1)Cl)Cl	0.09	0.0
Compound_841	CCCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CCC	0.88	1.0
Compound_842	CCCCNc1ccc2c3c1cccc3c(=O)n(c2=O)CCCC	0.06	0.0
Compound_843	CCSC(CC1CC(=C(C(=O)C1)C(=NOCC)CCC)O)C	0.67	1.0
Compound_844	CCOC(=O)OC1=C(C(=O)N[C@@]21CC[C@H](CC2)OC)c1cc(C)ccc1C	0.06	0.0
Compound_845	Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O	0.99	1.0
Compound_846	OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O	0.04	0.0
Compound_847	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	0.96	1.0
Compound_848	CON(C(=O)c1cn(nc1C(F)F)C)C(Cc1c(Cl)cc(cc1Cl)Cl)C	0.73	1.0
Compound_849	Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F	0.16	0.0
Compound_850	Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O	0.93	1.0
Compound_851	O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3	0.0	0.0
Compound_852	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl	0.99	1.0
Compound_853	C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C	0.82	1.0
Compound_854	COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC	0.98	1.0
Compound_855	COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC	0.99	1.0
Compound_856	COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C	0.04	0.0
Compound_857	COC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccccc1	0.02	0.0
Compound_858	COc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1)OC)C(=O)C	0.49	0.0
Compound_859	C[C@H]1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O	0.98	1.0
Compound_860	CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C	0.11	0.0
Compound_861	CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C	0.11	0.0
Compound_862	Fc1ccc(cc1)C1(O)CCN(CC1)[C@@H]1COc2c([C@@H]1O)ccc(c2)O	0.04	0.0
Compound_863	C=CCOC(=O)C(OC(=O)c1cc(ccc1Cl)n1c(=O)cc(n(c1=O)C)C(F)(F)F)(C)C	0.08	0.0
Compound_864	Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O	0.97	1.0
Compound_865	Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br	1.0	1.0
Compound_866	O=C1NC2(OC31CC(C)(C)NC(C3)(C)C)CCCCCCCCCCC2	0.06	0.0
Compound_867	O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1	0.53	1.0
Compound_868	Clc1cc(Br)c(c(c1)C(=O)NC(C1CC1)C)NC(=O)c1cc(nn1c1ncccc1Cl)Br	0.11	0.0
Compound_869	CCCCCCCCCCCCN(CCCN)CCCN	0.66	1.0
Compound_870	Clc1ccc(cc1)Oc1ccc(c(c1)C(F)(F)F)C(Cn1cncn1)(O)C	0.85	1.0
Compound_871	CCOC(=O)C(OC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F)C	0.98	1.0
Compound_872	COc1ccc(cc1NNC(=O)OC(C)C)c1ccccc1	0.59	1.0
Compound_873	C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1	0.93	1.0
Compound_874	C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C	0.13	0.0
Compound_875	Cc1nn(c(c1N=Nc1cc(Cl)c(cc1Cl)S(=O)(=O)O)N)c1ccccc1	0.76	1.0
Compound_876	OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl	0.59	1.0
Compound_877	CCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)Cc1c(F)cccc1Cl	0.83	1.0
Compound_878	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	0.95	1.0
Compound_879	CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N	0.85	1.0
Compound_880	CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl	0.14	0.0
Compound_881	OCC(C1OCC2(CO1)COC(OC2)C(CO)(C)C)(C)C	0.22	0.0
Compound_882	O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C	0.58	1.0
Compound_883	Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O	0.15	0.0
Compound_884	C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2	0.1	0.0
Compound_885	CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C	0.13	0.0
Compound_886	C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C	0.41	0.0
Compound_887	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(Cl)ccc1C)C(=O)Nc1ccccc1	0.43	0.0
Compound_888	COc1c(Cl)ccc(c1F)c1nc(C(=O)OCc2ccccc2)c(c(c1F)N)Cl	0.87	1.0
Compound_889	CSC1=N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1	0.21	0.0
Compound_890	C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C	0.9	1.0
Compound_891	N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl	0.94	1.0
Compound_892	CN(c1ccccc1)C(=S)SSC(=S)N(c1ccccc1)C	0.96	1.0
Compound_893	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F	0.7	1.0
Compound_894	O=S(=O)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCCCN(=O)(C)C	0.2	0.0
Compound_895	CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC	0.55	1.0
Compound_896	Brc1cc(Br)c(cc1Oc1cc(Br)c(cc1Br)Br)Br	1.0	1.0
Compound_897	O=C(c1cc2ccccc2c(c1O)N=Nc1ccc(cc1C)N(=O)=O)Nc1ccccc1C	0.44	0.0
Compound_898	CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O	0.96	1.0
Compound_899	Clc1ccc(c(c1)N(=O)=O)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1C	0.36	0.0
Compound_900	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(Cl)c(cc1OC)OC)S(=O)(=O)N(CC)CC	0.45	0.0
Compound_901	CCCCCOC(=O)c1ccccc1C(=O)OCCCCC	0.74	1.0
Compound_902	CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C	0.44	0.0
Compound_903	O=C(Oc1ccccc1)OCCOc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.67	1.0
Compound_904	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F	0.83	1.0
Compound_905	CC(c1ccc(cc1)O)(c1cccc(c1)C(c1ccc(cc1)O)(C)C)C	1.0	1.0
Compound_906	O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1	0.38	0.0
Compound_907	OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C	0.29	0.0
Compound_908	CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.07	0.0
Compound_909	CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C	0.89	1.0
Compound_910	O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C	0.0	0.0
Compound_911	CCCCCCC(=O)OC(COC(=O)CCCCCC)COC(=O)CCCCCC	0.06	0.0
Compound_912	COC(c1ccccc1COc1cc(C)ccc1C)C(=O)NC	0.79	1.0
Compound_913	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C	0.04	0.0
Compound_914	CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1	0.23	0.0
Compound_915	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)N(CC)CC)CC	0.47	0.0
Compound_916	O=C(C1C(C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2	0.91	1.0
Compound_917	COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC	0.12	0.0
Compound_918	CCCCCCCCCCCC(=O)OCCCCCCCC	0.95	1.0
Compound_919	ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1ccc(cn1)C(F)(F)F)Cl	0.5	0.0
Compound_920	CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C	0.61	1.0
Compound_921	O[C@@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O	0.98	1.0
Compound_922	Cn1nc(c(c1)C(=O)Nc1cccc2c1C1CCC2C1=C(Cl)Cl)C(F)F	0.52	1.0
Compound_923	Brc1ccc(cc1)c1ccc(cc1)C1Cc2ccccc2C(C1)c1c(=O)sc2c(c1O)cccc2	0.92	1.0
Compound_924	CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C	0.08	0.0
Compound_925	Fc1ccc(cc1)Oc1cccc(c1)O[C@H]1C=C[C@H](C1)N(C(=O)N)O	0.07	0.0
Compound_926	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)N)C(=O)Nc1ccccc1	0.32	0.0
Compound_927	Oc1ccc2c(c1C=NN=Cc1c(O)ccc3c1cccc3)cccc2	0.25	0.0
Compound_928	Clc1ccc(cc1)c1ccccc1NC(=O)c1cccnc1Cl	0.98	1.0
Compound_929	Fc1ccc(cc1)[C@@]1(Cn2cncn2)O[C@@H]1c1ccccc1Cl	0.92	1.0
Compound_930	N[C@H]1C[C@H](NC(=N)C(=O)O)[C@H](O[C@@H]1O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O)C	0.01	0.0
Compound_931	Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)C	0.81	1.0
Compound_932	CCCCCCCCCCCCCN1CC(C)OC(C1)C	0.35	0.0
Compound_933	CCCCCCCCCCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_934	CC(OC(=O)N[C@H](C(=O)NC(c1ccc(cc1)C)C)C(C)C)C	0.08	0.0
Compound_935	CCCCc1oc2c(c1C(=O)c1ccc(cc1)O)cc(cc2)N(=O)=O	0.5	0.0
Compound_936	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)OC(C(C(F)(F)F)F)(F)F	0.79	1.0
Compound_937	CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1ccc(cc1Cl)Cl)(C)C	0.51	1.0
Compound_938	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	0.68	1.0
Compound_939	COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C	0.54	1.0
Compound_940	O=C(OCC1CCC2C(C1)O2)CCCCC(=O)OCC1CCC2C(C1)O2	0.66	1.0
Compound_941	Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O	0.95	1.0
Compound_942	ClC(=C[C@H]1[C@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl	0.95	1.0
Compound_943	ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl	0.73	1.0
Compound_944	CCOc1ccc(cc1)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)c(cc1Cl)Cl	0.53	1.0
Compound_945	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C	0.91	1.0
Compound_946	O=C(C(O)(C)C)c1ccc(cc1)Cc1ccc(cc1)C(=O)C(O)(C)C	0.95	1.0
Compound_947	Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O	0.99	1.0
Compound_948	CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl	0.09	0.0
Compound_949	NCCCC[C@@H](C(=O)NC[C@@H](C(=O)O)CC1(CCCC1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)NS(=O)(=O)C	0.01	0.0
Compound_950	COC(=O)CCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Br)N(=O)=O)CCC(=O)OC	0.73	1.0
Compound_951	CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2	0.64	1.0
Compound_952	Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2)Cl	0.12	0.0
Compound_953	Cc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1)C)C(=O)C	0.32	0.0
Compound_954	CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC	0.85	1.0
Compound_955	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C	0.98	1.0
Compound_956	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C	0.04	0.0
Compound_957	CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C	0.08	0.0
Compound_958	CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C	0.56	1.0
Compound_959	CCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	0.96	1.0
Compound_960	COC(=O)c1cc(N=NC(C(=O)Nc2ccc3c(c2)[nH]c(=O)[nH]3)C(=O)C)cc(c1)C(=O)OC	0.07	0.0
Compound_961	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C	0.02	0.0
Compound_962	CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C	0.98	1.0
Compound_963	Cc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F	0.04	0.0
Compound_964	C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O	0.03	0.0
Compound_965	CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C	0.86	1.0
Compound_966	CCC(c1cc(N=Nc2ccc(cc2)N(=O)=O)cc(c1O)C(CC)C)C	0.83	1.0
Compound_967	CCc1ccc(cc1)C1OC2COC(OC2C(O1)C(CO)O)c1ccc(cc1)CC	0.45	0.0
Compound_968	CN(C(=O)NC1(CCN(CC1)CCC[C@@]1(CCCN(C1)C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)c1ccccc1)C	0.04	0.0
Compound_969	COc1cc(c(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2)OC)S(=O)(=O)NC	0.43	0.0
Compound_970	CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C	0.53	1.0
Compound_971	CCCCOC(=O)c1ccccc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.02	0.0
Compound_972	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(Cl)c(cc1OC)OC)C(=O)Nc1ccc(cc1)C(=O)N	0.49	0.0
Compound_973	N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)N(=O)=O)CCOC(=O)C	0.77	1.0
Compound_974	CCCCCCCCCCCCCN(CC(O)C)CC(O)C	0.33	0.0
Compound_975	COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC	0.88	1.0
Compound_976	O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F	0.59	1.0
Compound_977	Cc1cc(Cc2cc(C)cc(c2O)C2CCCCC2)c(c(c1)C1CCCCC1)O	0.76	1.0
Compound_978	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F	0.12	0.0
Compound_979	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F	0.12	0.0
Compound_980	OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C	0.05	0.0
Compound_981	N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.94	1.0
Compound_982	OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1	0.04	0.0
Compound_983	Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1cc(Cl)c(cc1Cl)c1cc(Cl)c(cc1Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C	0.32	0.0
Compound_984	Cc1cc(Cc2cc(C)cc(c2O)C2(C)CCCCC2)c(c(c1)C1(C)CCCCC1)O	0.3	0.0
Compound_985	COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl	0.89	1.0
Compound_986	C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C	0.08	0.0
Compound_987	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C	0.01	0.0
Compound_988	O=C(N1CCC(CC1)c1scc(n1)C1=NOC(C1)c1c(F)cccc1F)Cn1nc(cc1C)C(F)(F)F	0.1	0.0
Compound_989	Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(C)c(cc1C)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)ccc1C)C	0.26	0.0
Compound_990	OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@H]([C@@H]([C@H]1O)O)NC	0.01	0.0
Compound_991	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)N(=O)=O)C(=O)Nc1ccccc1	0.5	0.0
Compound_992	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(C(F)(F)F)Cl	0.96	1.0
Compound_993	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C(C(Br)(Br)Br)Br	0.98	1.0
Compound_994	N#C[C@@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H]1[C@H](C1(C)C)C=C(Cl)Cl	0.97	1.0
Compound_995	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.97	1.0
Compound_996	CCOc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1)OCC)C(=O)C	0.56	1.0
Compound_997	O=c1[nH]c2c([nH]1)ccc(c2)NC(=O)C(C(=O)C)N=Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N	0.03	0.0
Compound_998	O=c1oc2ccccc2c(c1C1CC(Cc2c1cccc2)c1ccc(cc1)c1ccccc1)O	0.95	1.0
Compound_999	N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)C=C(Br)Br	0.98	1.0
Compound_1000	Clc1c2C(=NC(=O)c2c(c(c1Cl)Cl)Cl)Nc1ccc(cc1)NC1=NC(=O)c2c1c(Cl)c(Cl)c(c2Cl)Cl	0.05	0.0