Index	SMILES	Probability	Label
Compound_1	O=N(=O)c1ncn(c1N1CCOCC1)C	0.05	0.0
Compound_2	O=C(CC(CC(=O)O)(C)C)NNc1c(Cl)cncc1Cl	0.07	0.0
Compound_3	CC(=O)OCc1cc(nn1c1ccccc1)C=NN(c1ccccc1)C(=O)C	0.04	0.0
Compound_4	OC(=O)CN1c2ccc(cc2C2(C1=O)CC(=O)N(C2=O)Cc1cc(Cl)ccc1F)Cl	0.04	0.0
Compound_5	Clc1ccc2c(c1)sc(n2)N1CCCN(CC1)S(=O)(=O)CC12CCC(C2(C)C)CC1=O	0.18	0.0
Compound_6	COC(=O)c1cscc1NC(=O)c1nccnc1C(=O)O	0.07	0.0
Compound_7	OC(=O)C1CCCN1C(=O)C(C)(C)C	0.05	0.0
Compound_8	Cc1cc(C)c2c(n1)sn(c2=O)C(=O)c1cccs1	0.05	0.0
Compound_9	O=C(Nc1cc2c(s1)cccc2)NC1Cc2c(C1)cccc2	0.63	1.0
Compound_10	Cc1nn(c(c1)n1c(=S)[nH]c2c(c1=O)c(C)c(s2)C)c1ccccc1	0.09	0.0
Compound_11	OCC(C(C(C(C1SC(=NN1c1ccccc1)c1ccccc1)O)O)O)O	0.03	0.0
Compound_12	CN1CCN(CC1)CC(=O)Nc1c(C#N)cnn1c1ccccc1	0.01	0.0
Compound_13	Clc1ccc2c(c1)c(cs2)CNS(=O)(=O)c1ccc2c(c1)CCO2	0.53	1.0
Compound_14	Fc1ccc(cc1)N1C(=O)CC(C1=O)n1c(C)nc2c1cccc2	0.02	0.0
Compound_15	Clc1ccc(cc1)Oc1ncccc1C(=O)NCc1csc2c1cc(Cl)cc2	0.58	1.0
Compound_16	CC1=NN(C(=O)C1=c1sc(nn1c1ccccc1)C(=O)c1cccs1)c1ccccc1	0.16	0.0
Compound_17	COc1ccc(cc1)N1C(=O)CC(C1=O)N1CCSCC1	0.0	0.0
Compound_18	Cc1oc(c(c1)C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C	0.01	0.0
Compound_19	C=CCn1c2c(nnn2c2c(c1=O)cccc2)C(=O)OCC	0.02	0.0
Compound_20	Oc1cc(C)c2c(n1)n(C)nc2c1cccs1	0.31	0.0
Compound_21	S=c1[nH]nc(n1c1cccnc1)c1cccc2c1cccc2	0.25	0.0
Compound_22	Cc1oc(c(c1)C(=O)Nc1ccc(c(c1)Cl)N1CCOCC1)C	0.35	0.0
Compound_23	N#Cc1cccnc1NNC(=O)c1nccnc1C(=O)O	0.03	0.0
Compound_24	CCOC(=O)C(C(=O)OCC)(Cc1cc(F)cc2c1OCOC2)NC(=O)C	0.19	0.0
Compound_25	CN(C=CC(=O)c1ccc(o1)c1cc(Cl)cc(c1)Cl)C	0.9	1.0
Compound_26	O=C(C(C)(C)C)CSc1nc2c(n1C(C)C)ccc(c2)C(F)(F)F	0.49	0.0
Compound_27	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(nc1)Oc1c(Cl)cccc1Cl	0.51	1.0
Compound_28	COc1ccc(cc1)OCC(CNC(=O)C1CCC1)O	0.03	0.0
Compound_29	O=C(c1ccccc1)CSc1nccc(n1)c1cccs1	0.56	1.0
Compound_30	N#Cc1ccc(cc1)CNC(=O)Nc1ccc(cc1)OCc1ccccc1	0.41	0.0
Compound_31	O=C(c1ccccc1C(=O)O)Nc1cc(sc1C(=O)C)C(C)(C)C	0.74	1.0
Compound_32	Oc1ccc2c(c1)c(co2)C(=O)c1ccco1	0.95	1.0
Compound_33	COc1ccc(cc1NC=Cc1nnnn1c1ccc2c(c1)cccc2)C(F)(F)F	0.27	0.0
Compound_34	O=C(c1nnsc1C)Oc1ccccc1c1ocnn1	0.43	0.0
Compound_35	O=C(Nc1c(=O)n(n(c1C)C)c1ccccc1)Nc1ccccc1	0.14	0.0
Compound_36	O=C(N1c2ccccc2Sc2c1cccc2)CSc1nc2c(s1)cccc2	0.69	1.0
Compound_37	NC(=S)NN=C1Cc2c(C1)cccc2	0.53	1.0
Compound_38	N#CCCN(C(=O)Nc1ccc2c(c1)CCO2)Cc1ccccc1	0.05	0.0
Compound_39	Cc1onc(c1)C(=O)Nc1cc(nn1C)c1ccccc1	0.1	0.0
Compound_40	O=C(c1nn2c(s1)nc(=O)c1c2cccc1)c1ccc(c(c1)Cl)Cl	0.17	0.0
Compound_41	O=C(CC(c1ccccc1)CC(=O)O)NCC(c1ccccc1)O	0.02	0.0
Compound_42	O=C1CCC(=NN1)C(=O)Nc1ccc(c(c1)Cl)N1CCOCC1	0.0	0.0
Compound_43	COc1cc(ccc1OC)CC(=O)Nc1ccc(cc1)c1cnco1	0.43	0.0
Compound_44	OC(=O)c1ccccc1C(=O)Nc1cc(ccc1N1CCCC1)C(F)(F)F	0.01	0.0
Compound_45	N#CC(=CN=S(=O)(c1ccc(cc1)Cl)C)C(=O)c1ccc(cc1)Cl	0.66	1.0
Compound_46	OC(=O)COCC(=O)Nc1cccc(c1C#N)F	0.02	0.0
Compound_47	O(Cc1nnc(o1)c1ccc2c(c1)cccc2)N=Cc1cccc2c1OCO2	0.05	0.0
Compound_48	CN(S(=O)(=O)c1ccc(s1)c1ccccn1)C1CCCCC1	0.66	1.0
Compound_49	CN(C(=S)SCC(=O)c1ccc(cc1)Cl)C	0.91	1.0
Compound_50	CCOC(=O)c1c(NC(=O)Nc2ccc(cc2)C)sc2c1CCC(C2)C	0.59	1.0
Compound_51	O=C1N(Cc2ccccc2)Cc2c1[nH]c1cc(nn1c2=O)C(C)(C)C	0.01	0.0
Compound_52	Cc1nc(Sc2nnc(n2C)c2ccccc2)c2c(n1)n(c1ccccc1)c(=S)s2	0.62	1.0
Compound_53	CC(N(C(=O)c1snnc1C)Cc1ccccc1)C	0.67	1.0
Compound_54	C=CCn1c(=S)sc2c1ncnc2NN=Cc1ccco1	0.25	0.0
Compound_55	CCOC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(s1)CNC(=O)c1ccc(cc1)Cl	0.14	0.0
Compound_56	CCOC(=O)c1c(C)nc2n1ccc(c2)C	0.23	0.0
Compound_57	Clc1ccc(cc1Cl)COc1cccn2c1nc(c2)C(C)(C)C	0.82	1.0
Compound_58	CC(=O)OCC(C(C(C(C(=O)Nc1ccccc1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	0.31	0.0
Compound_59	S=C(N1CCCN(CC1)C(=O)OC(C)(C)C)Nc1cccnc1	0.01	0.0
Compound_60	CCC1(CC)C(=O)NC(=O)N(C1=O)C	0.07	0.0
Compound_61	OCCNc1ccc(c(c1C#N)NCCO)N(=O)=O	0.24	0.0
Compound_62	CCC(C(C(=O)NCC(=O)O)NC(=O)OCc1ccccc1)C	0.02	0.0
Compound_63	NC(=NOCc1noc(n1)c1cscc1)c1ccc(cc1)C(F)(F)F	0.02	0.0
Compound_64	OC(=O)CSCC(=O)N1CCCN(CC1)c1nccc(n1)C(F)(F)F	0.0	0.0
Compound_65	N#CC(=CN1CCCCC1)S(=O)(=O)c1ccc(cc1)Cl	0.07	0.0
Compound_66	CCC(NC(=S)NC1CC2CC1CC2)CO	0.13	0.0
Compound_67	O=C(CC1(CCCCC1)CC(=O)O)NCc1cccc(c1)C(F)(F)F	0.01	0.0
Compound_68	COc1ccc(c(c1)NC(=O)c1c(C)onc1c1ccccc1Cl)NC(=O)C	0.68	1.0
Compound_69	COc1cc(C=NNC2=NC(=O)CS2)cc(c1OC)OC	0.24	0.0
Compound_70	NC(=O)c1ccccc1OCCCN1CCN(CC1)c1ccccc1	0.01	0.0
Compound_71	O=C(Nc1nn(c2c1c(F)ccc2)C)COCC(=O)O	0.01	0.0
Compound_72	O=C(c1cccs1)Nc1nc(c(s1)c1ccccc1)C(F)(F)F	0.3	0.0
Compound_73	N#CC1CC2CC1N(C2)Cc1ccccc1	0.06	0.0
Compound_74	OC1CCC2(C34C1Oc1c4c(CC2N(CC3)C)ccc1O)O	0.02	0.0
Compound_75	N#Cc1c(=O)[nH]c(cc1c1ccc(cc1)OC)c1ccccc1	0.39	0.0
Compound_76	O=C(c1cccc(c1)C(F)(F)F)NNC(=O)c1nccnc1N	0.05	0.0
Compound_77	O=C(Nc1cccc(c1)C(F)(F)F)ON=C(c1csc(n1)C)N	0.12	0.0
Compound_78	CCN(S(=O)(=O)c1ccc(s1)c1ccc(s1)S(=O)(=O)N(CC)CC)CC	0.77	1.0
Compound_79	Cc1nc(NN=Cc2ccccn2)nc(n1)N	0.11	0.0
Compound_80	Clc1ccccc1Nc1scc(n1)c1c(C)onc1c1ccccc1	0.69	1.0
Compound_81	O=C(COc1c(C)cc(cc1C)c1nn(C)c(=O)c2c1cccc2)NNC(=O)Nc1ccccc1	0.07	0.0
Compound_82	CSc1nn(c(=S)s1)CSc1n[nH]c(n1)c1ccccc1F	0.27	0.0
Compound_83	N#CCC(=O)NNC(=S)NC1CCCCC1	0.17	0.0
Compound_84	O=C(c1ccccc1)CC(c1cccc2c1cccc2)CC(=O)c1ccccc1	0.93	1.0
Compound_85	O=C1N(CC2CCCCC2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)C2C1C1CCC2C1	0.01	0.0
Compound_86	CSc1n[nH]c(c1)c1ccc(cc1)F	0.88	1.0
Compound_87	C=CCNC(=O)CSc1nnc(n1C)CSc1cccs1	0.04	0.0
Compound_88	O=C(Nc1cccnc1Oc1ccc(c2c1CCC2)C)CSc1ccc(cc1)Cl	0.26	0.0
Compound_89	COc1ccccc1N1CCN(CC1)CCCCNS(=O)(=O)c1ccc(c(c1)Cl)Cl	0.06	0.0
Compound_90	O=C(Nc1cccc(c1)C(F)(F)F)NNC(=O)c1oc(c(n1)c1ccccc1)C	0.04	0.0
Compound_91	O=C(Nc1cc(oc1C(F)(F)F)C)Nc1cccc(c1)S(=O)(=O)N	0.13	0.0
Compound_92	O=C1NCCCCC1Nc1n[nH]c(n1)N	0.04	0.0
Compound_93	COc1cccc(c1)N=C(NNc1ccc(cc1)N(=O)=O)S	0.88	1.0
Compound_94	OC(=O)CCn1c(CCC(=O)O)nc2c1cccc2	0.0	0.0
Compound_95	S=C(Nc1cc(ccc1C)NC(=O)C)Nc1ccc(c(c1)Cl)Cl	0.28	0.0
Compound_96	N#Cc1cccc(c1)C(=O)Cc1cccc(c1)Oc1ccccc1	0.98	1.0
Compound_97	NNC(=O)c1onc(n1)c1ccc(cc1)OC(F)(F)F	0.07	0.0
Compound_98	CCOC(=O)C1CCN(CC1)Cc1cccc(c1)NC(=O)c1cccs1	0.06	0.0
Compound_99	O=C(c1nccnc1C(=O)O)N1CCCN(CC1)C(=O)c1cccs1	0.0	0.0
Compound_100	CCOC(=O)CSc1nc2c(n1C)ncc(c2)C(F)(F)F	0.23	0.0
Compound_101	COc1cc(C=NNC(=O)C(n2nnc(n2)N2CCOCC2)C)cc(c1OC)OC	0.01	0.0
Compound_102	N#CC(=Cc1cc2c(o1)cccc2)S(=O)(=O)c1ccccn1	0.91	1.0
Compound_103	CCOC(=O)C1CC2CN(CC(C1)C2=O)S(=O)(=O)c1ccc(cc1)C	0.51	1.0
Compound_104	Cc1ccc(cc1)N1N=C(C(=C2SCCCS2)C1=O)C	0.05	0.0
Compound_105	S=C(NCc1ccccc1)NCCNC(=O)Cc1ccc(cc1)O	0.06	0.0
Compound_106	CCOC(=O)C=C(NN=C(c1ccccc1)c1ccccc1)C	0.41	0.0
Compound_107	OC(=O)C=CC(=O)Nc1ccc(c(c1)O)C(=O)O	0.21	0.0
Compound_108	CCOC(=O)c1cc(C)nc(c1C#N)Sc1ccccc1NC(=O)c1cccs1	0.69	1.0
Compound_109	COc1cc(OC)nc(n1)NC=C1N=C(OC1=O)c1ccccc1	0.04	0.0
Compound_110	COc1cc(CCNC2=NCCS2)ccc1OC	0.01	0.0
Compound_111	CCC(C1=CC(=Nc2c(C)n(n(c2=O)c2ccccc2)C)C=C(C1=O)C(CC)C)C	0.29	0.0
Compound_112	CCOC(=O)c1noc(c1)CSc1nnc(s1)SC	0.73	1.0
Compound_113	CC(=O)Nc1cccc(c1)OCCCN1C(=O)c2c(C1=O)cccc2	0.03	0.0
Compound_114	O=C(Nc1c(C)noc1c1ccc(cc1)Cl)NN1CCCCC1	0.02	0.0
Compound_115	CCOC(=O)c1nnn(c1N)Cc1ccccc1	0.07	0.0
Compound_116	COC(=O)c1sccc1NNC(=O)C(=CC(=O)O)C	0.05	0.0
Compound_117	COc1ccc(cc1)CC1CCC(=NOC(=O)c2cccc(c2)C(F)(F)F)CC1	0.43	0.0
Compound_118	COC(=O)C(NC(=O)CC(=O)OC)CSC(=O)Nc1ccc(cc1)SC(F)(F)F	0.11	0.0
Compound_119	Clc1ccc(c(c1)C(=O)c1ccccc1Cl)NC(=O)CN1C(=O)c2c(S1(=O)=O)cccc2	0.64	1.0
Compound_120	COC(=O)c1sccc1Oc1nccc(n1)C(F)(F)F	0.31	0.0
Compound_121	CN(C=NNS(=O)(=O)c1ccccc1)C	0.21	0.0
Compound_122	CSC(=NN=C(c1cc2c(o1)cccc2)C)N=CN(C)C	0.37	0.0
Compound_123	O=C(Nc1c(C)onc1c1ccccc1)Nc1cc(ccc1C)S(=O)(=O)N(C)C	0.2	0.0
Compound_124	O=C(Nc1csc2c1cccc2)Nc1cccc(c1)n1cccc1	0.38	0.0
Compound_125	O=S(=O)(c1ccc2c(c1)CCO2)NCC1COc2c(O1)cccc2	0.04	0.0
Compound_126	C=CCn1c(=S)[nH]nc1C(Oc1ccc(cc1)Cl)C	0.19	0.0
Compound_127	O=C(NC(=O)c1csnn1)Nc1noc(c1)C	0.38	0.0
Compound_128	O=C(C12CC3CC(C2)CC(C1)C3)Nc1ccc(cc1)F	0.62	1.0
Compound_129	C=CCn1c(nnc1c1ccccc1)Sc1ncnc2c1c1CCCCc1s2	0.18	0.0
Compound_130	N#Cc1c(C)cc(n2c1nc1c2cccc1)N=CN(C)C	0.09	0.0
Compound_131	N#CCCN(C(=S)Nc1ccc(cc1)F)Cc1ccncc1	0.11	0.0
Compound_132	O=c1[nH]nc(n1C1CCCCC1)Sc1ncccc1C(F)(F)F	0.04	0.0
Compound_133	CCCCc1ccc(c(c1)C)NC(=O)NC(=O)c1ccccc1Cl	0.84	1.0
Compound_134	Clc1cc(cnc1CSc1n[nH]c(=O)n1c1ccccc1)C(F)(F)F	0.06	0.0
Compound_135	O=C(c1ccno1)Nc1ccc2c(c1)C(=O)OC2	0.04	0.0
Compound_136	N#CCCN(C(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CC1CCCO1	0.07	0.0
Compound_137	Cn1c(=O)c(cn(c1=O)c1ccccc1)c1scc(n1)C(C)(C)C	0.11	0.0
Compound_138	CCCN(S(=O)(=O)c1ccc(c(c1)OC)OC)Cc1ccco1	0.61	1.0
Compound_139	S=C(Nc1n[nH]c(c1)c1cccs1)Nc1ccc(c(c1)Cl)Cl	0.24	0.0
Compound_140	Clc1ccc2c(c1)C(=CS2(=O)=O)CSc1cccs1	0.93	1.0
Compound_141	S=C(NCc1ccco1)NCC1ON=C(C1)c1ccccc1	0.04	0.0
Compound_142	O=C1NN=C(C1=C1SC=C(O1)c1ccccc1)c1ccccc1	0.07	0.0
Compound_143	O=C(c1ccc(cc1)n1cccn1)NCCN1CCOCC1	0.02	0.0
Compound_144	CC(Cc1ccc(cc1)C1=Nn2c(C)nnc2SC1C)C	0.48	0.0
Compound_145	NNC(=O)C(Cc1cnc[nH]1)NC(=O)OCc1ccccc1	0.11	0.0
Compound_146	O=c1[nH]nc2n1nc(c1ccccc1)c(c2c1ccccc1)c1ccccc1	0.03	0.0
Compound_147	CCCCCC=CC=C1C(CC=CCCCC(=O)O)C=CC1=O	0.13	0.0
Compound_148	CCCCCC(C=CC1C(O)CC2C1CC(O2)CCCCC(=O)O)O	0.25	0.0
Compound_149	CCCCCCCCCCCCCCCC(=O)NC(C(C=CCCCCCCCCCCCCC)O)COC1OC(CO)C(C(C1O)O)O	0.12	0.0
Compound_150	CC(=O)SCCN=C(CCN=C([C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O)O)O	0.01	0.0
Compound_151	CCCCCC(/C=C/[C@H]1C=CC(=O)C1CCCCCCC(=O)OCC)O	0.36	0.0
Compound_152	CCCCCC(=O)C=CC1C(O)CC(C1CC=CCCCC(=O)O)O	0.15	0.0
Compound_153	CCCCCC(C=CC1C2OC(=O)CCCC=CCC1C(C2)O)O	0.74	1.0
Compound_154	CCCCCC(C=CC1CCC(C1CC=CCCCC(=O)O)O)O	0.22	0.0
Compound_155	OC(=Nc1ccccc1)N1CCCN(CC1)c1ccc(cc1N(=O)=O)C(F)(F)F	0.06	0.0
Compound_156	O=c1[nH]cnc2c1c(cs2)c1ccc2c(c1)cccc2	0.11	0.0
Compound_157	CCCCCC(=O)CCC1C(CC=CCCCC(=O)O)C=CC1=O	0.25	0.0
Compound_158	N#CCCN(C(=O)c1sc2c(c1Cl)cccc2)Cc1ccncc1	0.18	0.0
Compound_159	O=C1OC(=NC1=Cc1cccs1)c1ccc(c(c1)N(=O)=O)C	0.27	0.0
Compound_160	NNC(=O)CNC(=O)c1c(F)cccc1F	0.02	0.0
Compound_161	Cc1ccc(c(n1)N(=O)=O)OC(=O)c1sc2c(c1Cl)cccc2	0.47	0.0
Compound_162	Clc1ccc(cc1)OC(=O)C(S(=O)(=O)c1ccc(cn1)C(F)(F)F)(C)C	0.9	1.0
Compound_163	CCCCCC(=O)CCC1C=CC(=O)C1CC=CCCCC(=O)O	0.29	0.0
Compound_164	O=N(=O)c1ccc2c(c1)OCCOCCOCCO2	0.67	1.0
Compound_165	COC(=O)c1cnc(nc1C(F)(F)F)Sc1ccc(cc1)Cl	0.23	0.0
Compound_166	COC(=O)c1c(csc1C)NC(=O)c1ccccc1Cl	0.68	1.0
Compound_167	Clc1cccc(c1)C(=O)NC1CN2CCC1CC2	0.09	0.0
Compound_168	Cn1ncc2c1ncnc2N1CCCC1	0.01	0.0
Compound_169	Cc1ccc(cc1)Sc1ncnc2c1scc2	0.82	1.0
Compound_170	O=C(c1ccccc1C(=O)c1c(C)c(C)c(c(c1C)C)C)NCc1cccnc1	0.35	0.0
Compound_171	O=C(c1cc2c(o1)cccc2)CSc1nncn1c1ccc(cc1)C(F)(F)F	0.74	1.0
Compound_172	Clc1ccc(cc1)c1noc(n1)CSc1ccccc1N	0.15	0.0
Compound_173	Cn1nc(c(c1NCCCN1CCOCC1)N(=O)=O)C	0.04	0.0
Compound_174	O=S(=O)(c1cccc2c1nccc2)NCC1CCCO1	0.13	0.0
Compound_175	COc1ccc(cc1CSc1nsc(n1)SCc1cc(ccc1OC)C(=O)C)C(=O)C	0.79	1.0
Compound_176	O=C(c1cc2c(s1)cccc2)N(Cc1ccccn1)Cc1ccccn1	0.2	0.0
Compound_177	NC(=Nc1sc(c(n1)C(C)(C)C)Br)N	0.15	0.0
Compound_178	O=C(c1ccc(cc1)C)C=CC(=O)O	0.69	1.0
Compound_179	Nc1[nH]nc(n1)Nc1ccccc1	0.9	1.0
Compound_180	NC(=O)c1cccc(c1F)C(=O)N	0.24	0.0
Compound_181	Clc1ccc(cc1)CSc1n[nH]c(=O)n1C1CC2CC1C=C2	0.11	0.0
Compound_182	O=C(c1ccccc1N)NCc1ccccn1	0.16	0.0
Compound_183	COC(=O)c1cnc(c(c1)N(=O)=O)Nc1cccc(c1)C(F)(F)F	0.21	0.0
Compound_184	CSc1cccc(c1)NC(=O)CSc1nc(C)c(c(c1C#N)C)N=Nc1ccccc1	0.53	1.0
Compound_185	S=C(Nc1ccccc1C)NCc1cccnc1	0.41	0.0
Compound_186	CSc1cccc(c1)NC(=O)Cn1nc(c(c1C)Oc1ccccc1)C	0.36	0.0
Compound_187	O=C(c1cccc(c1)N(=O)=O)CSc1ccccc1C(=O)O	0.9	1.0
Compound_188	Clc1ccc(cc1)c1csc(n1)CCn1cccc(c1=O)C(F)(F)F	0.05	0.0
Compound_189	Clc1ccc(cc1)n1ncc(c1C)C(=O)NCCSCc1cccc(c1)C(F)(F)F	0.11	0.0
Compound_190	Fc1ccc(cc1)c1csc(n1)c1ccc2c(c1)OCO2	0.98	1.0
Compound_191	OC(=O)c1ccccc1C(=O)NCc1ccccc1OC(F)(F)F	0.05	0.0
Compound_192	CCCc1cnc(nc1)N1CCN(CC1)C(=S)NC	0.03	0.0
Compound_193	Cc1ccc(cc1)C(=O)CSc1nc(c(s1)C(=O)c1ccc(cc1)C)N	0.2	0.0
Compound_194	CCOC(=O)c1cnc(nc1NNC(=O)c1ccc(cc1)Cl)c1cccs1	0.34	0.0
Compound_195	Cc1onc(c1)C(=O)Nc1n(C)nc(c1c1ccccc1)C(F)(F)F	0.17	0.0
Compound_196	Clc1ccc(cc1)Oc1ccc(cn1)c1scc(n1)C	0.92	1.0
Compound_197	O=C(Nc1ccc2c(n1)cccc2)Nc1ccc(cc1)C(C)(C)C	0.43	0.0
Compound_198	NC(=Nc1ccc(cc1)Cl)N=C(N)N	0.26	0.0
Compound_199	CSc1nnc(s1)SC(=C(O)C)C(=O)C	0.7	1.0
Compound_200	N#CC(=Cc1cc(OC)c(c(c1)OC)OC)c1cccn1C	0.7	1.0
Compound_201	Clc1ccc(cc1)c1noc(c1c1ccnn1C(=O)c1ccc(cc1)Cl)C	0.87	1.0
Compound_202	COC(=O)c1cscc1NC(=O)CC(c1ccccc1)CC(=O)O	0.02	0.0
Compound_203	Fc1ccc(cc1)N=c1oc2ccccc2c(=O)n1CC(=O)c1ccccc1	0.01	0.0
Compound_204	CCOC(=O)c1sc(nc1CSc1nnc(s1)SCC1CC1)c1ccccc1	0.58	1.0
Compound_205	CCOC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(c(c1)Cl)F	0.48	0.0
Compound_206	S=C(N1CCCCCC1)Nc1ccc(c(c1)C)Br	0.17	0.0
Compound_207	Cc1[nH]c(c2c1c(=O)n(C)nc2)C	0.25	0.0
Compound_208	CCOC(=O)c1c2c3cc(OC)c(cc3CCn2c(c1N=Nc1ccccc1)c1ccccc1)OC	0.17	0.0
Compound_209	CCOC(=O)c1cc(oc1C=NOC(=O)c1ccco1)c1ccc(cc1)Cl	0.34	0.0
Compound_210	O=C(c1ccccc1O)Nc1ccc(c(c1)N)Cl	0.85	1.0
Compound_211	Fc1ccc(cc1)C(=O)Nc1ccc2c(c1)cc[nH]2	0.91	1.0
Compound_212	Clc1ccc(c(c1)Cl)c1n[nH]c(=S)n1c1cccnc1	0.18	0.0
Compound_213	CN(S(=O)(=O)Oc1ccc(cc1)c1noc(n1)c1ccc(cc1)OC(F)(F)F)C	0.83	1.0
Compound_214	C=CCSC(=Nc1ccccc1)C(c1nc2c([nH]1)cccc2)C#N	0.08	0.0
Compound_215	OC(=O)C1CN(C(=O)C1)c1ccc(cc1)OC(F)(F)F	0.01	0.0
Compound_216	N#CNC(=NCc1ccccn1)SC	0.02	0.0
Compound_217	Cc1nn(c(c1)C(=O)Nc1cc(ccc1N1CCCC1)C(F)(F)F)C	0.01	0.0
Compound_218	CCC(CNC(=S)Nc1ccc(nc1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C	0.03	0.0
Compound_219	COC(=O)Nc1nn(c(c1)C)c1ccccc1	0.1	0.0
Compound_220	CCOC(=O)N1CCN(CC1)c1ccccc1OC	0.08	0.0
Compound_221	Fc1ccc(c(c1)F)NC(=O)c1cnccc1N(C)C	0.59	1.0
Compound_222	O=C(c1csc2c1cccc2)CSc1n[nH]c(=O)n1C1Cc2c(C1)cccc2	0.26	0.0
Compound_223	COc1ccc(c(c1OCc1ccccc1)c1[nH]ncc1)OC	0.65	1.0
Compound_224	O=N(=O)c1ccc(nc1Sc1ccccc1NC(=O)c1cccs1)Sc1ccccc1NC(=O)c1cccs1	0.72	1.0
Compound_225	Cn1nc(cc1NC(=O)c1cccs1)c1ccccc1	0.4	0.0
Compound_226	COc1ccc(cc1)CN(C(=O)Nc1ccc(cc1)Cl)Cc1ccc(cc1)OC	0.71	1.0
Compound_227	CCOC(=O)N1CCN(CC1)CN1CCCCC1=O	0.18	0.0
Compound_228	Cc1noc(c1)c1ccccc1C(=O)Nc1ccccc1O	0.12	0.0
Compound_229	O=N(=O)c1c[nH]c2c(c1=O)cccc2	0.3	0.0
Compound_230	COC(=O)c1ccc(n1c1ccc(cc1)F)C=NNc1ccc(cc1)C(F)(F)F	0.1	0.0
Compound_231	Fc1ccc(cc1)S(=O)(=O)Nc1cccc2c1cc(C)nn2	0.82	1.0
Compound_232	COc1ccccc1c1nnc(n1c1ccccc1)Sc1sccc1N(=O)=O	0.75	1.0
Compound_233	COC(=O)c1c(C)nc(c(c1c1cccs1)C(=O)OC)C	0.4	0.0
Compound_234	Cn1nc(cc1NC(=O)c1nccnc1C(=O)O)c1ccccc1	0.05	0.0
Compound_235	C=CCn1c(COc2c(Br)cc(c3c2CCC3)C)n[nH]c1=S	0.16	0.0
Compound_236	CCOC(=O)c1csc(n1)NC=C(C(=O)OCC)C(=O)OCC	0.28	0.0
Compound_237	c1ccc(nc1)Oc1cccc2c1nccc2	0.86	1.0
Compound_238	O=C1Nc2ccccc2SC(C1C)C	0.29	0.0
Compound_239	CSc1ccc(s1)CNC(=O)c1c(C)noc1C	0.07	0.0
Compound_240	N#CC(=CC=C(c1ccccc1)Sc1nnnn1c1ccccc1)C#N	0.53	1.0
Compound_241	O=C(NC(=O)c1ccc(cc1)c1nnsc1)Oc1ccc(cc1)C(C)(C)C	0.75	1.0
Compound_242	Clc1ccccc1Cn1nnc2c1ncnc2Sc1nc2c(s1)cccc2	0.73	1.0
Compound_243	N#Cc1cc2c(n(c1=N)CC(C)C)nc1n(c2=O)cccc1	0.02	0.0
Compound_244	O=C(c1cccc2c1OCCCO2)Nc1ccc(cc1)c1nc2c(s1)cccc2	0.53	1.0
Compound_245	N#Cc1c2c3cc(OC)c(cc3CCn2c(c1N=Nc1ccccc1)c1cccs1)OC	0.33	0.0
Compound_246	O=C(N1CCCc2c1cccc2)c1ccc(cc1)N(C)C	0.22	0.0
Compound_247	S=C(NCC1CC1)NCCNC(=S)NCC1CC1	0.1	0.0
Compound_248	O=C(Nc1csc(n1)Cc1cscc1)Nc1cccc(c1)C(F)(F)F	0.39	0.0
Compound_249	CCCCc1c(COC)[nH]c(=S)[nH]c1=O	0.07	0.0
Compound_250	C#CCSc1nc(C)c(c(n1)OC(=O)N(C)C)Cc1c(F)cccc1Cl	0.49	0.0
Compound_251	O=C(CN1CCc2c1cccc2)NN1CC(=O)N(CC1=O)c1ccccc1	0.01	0.0
Compound_252	Clc1cc(cnc1N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(F)(F)F	0.27	0.0
Compound_253	N#CC(=CNc1ccc(c(c1)Cl)F)C(=O)NC(=O)C	0.12	0.0
Compound_254	O=C1CSc2c(N1Cc1nnc(n1C)SCc1ccccc1)cc(cc2)C(F)(F)F	0.04	0.0
Compound_255	O=C(c1ccccc1)Oc1cc(=O)n2c3c1cccc3CCC2	0.26	0.0
Compound_256	NNC(=NC12CC3CC(C2)CC(C1)C3)SC	0.49	0.0
Compound_257	Clc1ccc(cc1)NC(=C1C(=O)C(=O)N(C1=S)c1ccc(cc1)Cl)c1ccccc1	0.27	0.0
Compound_258	CCOC(=O)C(=NNc1cc([nH]n1)c1ccccc1)C#N	0.01	0.0
Compound_259	O=C(c1ccccc1)Nc1cc(nn1C(C)(C)C)C1CC1	0.5	0.0
Compound_260	Cc1nn2c(c1)ncc(c2C)C(=O)C	0.26	0.0
Compound_261	Clc1ccc(cc1)c1nc(=O)c2c([nH]1)CSC2	0.01	0.0
Compound_262	CCOC(=O)c1csc(n1)CS(=O)(=O)Cc1ccco1	0.33	0.0
Compound_263	Clc1ccc(cc1)C(=O)CSc1nnc(o1)Cn1nc(c(c1C)Br)C	0.71	1.0
Compound_264	N#CC(=CNc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(cc1)Cl	0.23	0.0
Compound_265	Fc1cc(Br)c(c(c1)Br)N=C1SCC(=O)N1Cc1cccs1	0.05	0.0
Compound_266	O=S1(=O)CC(c2c1cccc2)N1CCOCC1	0.04	0.0
Compound_267	FC(c1cc(NN=Cc2ccccc2)n2c(n1)cc(n2)C(C)(C)C)(F)F	0.29	0.0
Compound_268	O=C(Nc1ccccc1)OCC#Cc1ccc(s1)c1ccccn1	0.57	1.0
Compound_269	Cc1ccc(cc1)S(=NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C)(=O)C	0.48	0.0
Compound_270	N#CC(=CN=S(=O)(c1ccc(cn1)C(F)(F)F)C)C(=O)c1ccc(cc1)Cl	0.52	1.0
Compound_271	CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)(O)C	0.09	0.0
Compound_272	CCCCCCCCCCCCCCCCOCC(SC(=O)C)CO	0.91	1.0
Compound_273	CCCCCC(C=CC1C(O)CC(C1CCCCC(CC(=O)O)OC)O)O	0.24	0.0
Compound_274	CCC(CCC=CCC=CCC=CCC=CCCCC(=O)O)O	0.1	0.0
Compound_275	CCCCCC(C=CC1CCC(C1CCCCCCC(=O)O)O)O	0.2	0.0
Compound_276	CCCCCC=CC=C1C=CC(=O)C1CCCCCCC(=O)O	0.15	0.0
Compound_277	OC(=O)CCCC=CCC1C(O)CC(C1C=CC(C1Cc2c(C1)cccc2)O)F	0.14	0.0
Compound_278	CCCCCC(C=CC1C(O)CC2C1CC=CCCCC(=O)O2)O	0.8	1.0
Compound_279	CCCCCC(C=CC1C(O)CC2C1CC(=CCCCC(=O)O)C2)O	0.06	0.0
Compound_280	CCCCC(C(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O)(C)C	0.09	0.0
Compound_281	CCCCC(C(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O)(C)C	0.06	0.0
Compound_282	CC(CCCC=CCC=CCC=CCC=CCCCC(=O)O)O	0.09	0.0
Compound_283	CCCCCC(C=CC1C2COC(C1CC=CCCCC(=O)O)C2)O	0.36	0.0
Compound_284	CCCC(CC=CCC=CCC=CCC=CCCCC(=O)O)O	0.1	0.0
Compound_285	OCC(NC(=O)CCCC=CCC1C(O)CC(C1C=CC(COc1cccc(c1)C(F)(F)F)O)O)CO	0.04	0.0
Compound_286	CCCCCC(C=CC1C(O)CC2(C1CC(=CCCCC(=O)O)C2)C)O	0.05	0.0
Compound_287	CCCCCC=CCC=CCC=CCC1OC1CCCC(=O)NCCO	0.07	0.0
Compound_288	CCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O	0.05	0.0
Compound_289	CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)CO	0.73	1.0
Compound_290	CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(CO)CO	0.76	1.0
Compound_291	COC(=O)CCCC=CCC1C(O)CC(C1C=CC(C1Cc2c(C1)cccc2)O)F	0.21	0.0
Compound_292	CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCCN	0.87	1.0
Compound_293	Cc1cc(C)c(c(=O)n1NC(=S)NC1CC2CC1C=C2)C#N	0.15	0.0
Compound_294	COc1ccccc1c1nnc(n1c1ccccc1)SCC(=NN=C(Nc1ccc(c(c1)C)C)S)O	0.04	0.0
Compound_295	Cc1ccc(cc1)Sc1ncccc1NC(=O)c1ccccc1Cl	0.67	1.0
Compound_296	CCCCCC=CC=C1C(CC=CCCCC(=O)OC(CO)CO)C=CC1=O	0.6	1.0
Compound_297	Brc1cc2C=CC3(Oc2c(c1)N(=O)=O)N(C)c1c(C3(C)C)cccc1	0.76	1.0
Compound_298	CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C(=O)OCC)C	0.48	0.0
Compound_299	O=C1CSC(=N1)N1CCOCC1	0.05	0.0
Compound_300	Clc1sc(c(c1)C(=O)NCC1COc2c(O1)cccc2)Cl	0.06	0.0
Compound_301	COc1ccc(cc1)C1NC(c2ccc(cc2)OC)C(C(=O)C1C)C	0.82	1.0
Compound_302	CNC(=S)Nc1ccc(cc1)Oc1ccccc1	0.89	1.0
Compound_303	O=C(c1nn(nc1C)c1ccccc1)NCC1CC1	0.05	0.0
Compound_304	O=C(C=CC(=O)O)NCCc1ccc(cc1)Cl	0.04	0.0
Compound_305	COc1c(cccc1OC1CCCC1)C=C(C(=O)O)NC(=O)C	0.08	0.0
Compound_306	C=CCn1c(n[nH]c1=S)Cc1ccc(c(c1)OC)OC	0.12	0.0
Compound_307	OCCNC(=S)NCc1ccccc1OC	0.04	0.0
Compound_308	CCCCCC1OC1CC=CCC=CCC=CCCCC(=O)OC(CO)CO	0.58	1.0
Compound_309	Clc1ccc(cc1)Oc1c(C)nn(c1C)C(=O)c1ccccc1	0.95	1.0
Compound_310	Clc1ccc(cc1)c1scc(n1)c1c(C)onc1c1ccccc1	0.81	1.0
Compound_311	CNC(=O)NC(=S)NC(=O)c1ccc(cc1)C	0.42	0.0
Compound_312	CCOC(CC(=O)NNC(=O)c1ccc(cc1)C(F)(F)F)OCC	0.17	0.0
Compound_313	O=C(c1cnc2c(n1)cccc2)NCc1cccnc1	0.18	0.0
Compound_314	CCOC(=O)c1ccc2c(c1)CCC(=Cc1ccc(cc1Cl)Cl)C2=O	0.79	1.0
Compound_315	S=C(N1CCCC1)Nc1ccccc1C(F)(F)F	0.26	0.0
Compound_316	CCOC(=O)c1cc(C#N)c(nc1c1ccccc1)SC	0.78	1.0
Compound_317	COc1ccc(cc1)c1csc(n1)Nc1cccnc1	0.89	1.0
Compound_318	Clc1ccc(cc1)OCc1scc(n1)C(=NOC(=O)c1ccccc1)C	0.25	0.0
Compound_319	O=C(Nc1ccc(cc1)C(C)C)CSc1ncc(o1)c1ccc(cc1)Cl	0.72	1.0
Compound_320	NC(=NOC(=O)c1c(C)noc1C)COc1ccc(cc1)c1ocnn1	0.02	0.0
Compound_321	O=C(C12CCC(C2(C)C)(C(=O)O1)C)N1CCSCC1	0.18	0.0
Compound_322	CC(=NNC(=S)N)c1ccc(cc1)OCCCOc1ccc(cc1)C(=NNC(=S)N)C	0.19	0.0
Compound_323	CN1CCN(CC1)c1ccccc1C=NNC(=O)c1cccnc1	0.0	0.0
Compound_324	Fc1ccc(cc1)n1nc(cc1NS(=O)(=O)c1cccc(c1)F)c1cccs1	0.21	0.0
Compound_325	O=C(C(C)(C)C)C=C1C(=O)Nc2c1cc(Br)cc2	0.62	1.0
Compound_326	S=C(Nc1ccccc1C(F)(F)F)NNC(=O)c1csc(n1)C	0.33	0.0
Compound_327	CCOC(=O)Cc1csc2n1nc(n2)c1ccccc1	0.34	0.0
Compound_328	O=C(Nc1ccc(cc1)Cl)OCc1noc(c1)C	0.28	0.0
Compound_329	c1ccc(nc1)SCc1n[nH]nn1	0.67	1.0
Compound_330	N#CC(=CNc1ccc(cc1)OC(F)(F)F)C(=O)c1ccco1	0.63	1.0
Compound_331	CCOC(=O)c1cc(C)nc(c1C#N)N1CCC(CC1)C(=O)N	0.01	0.0
Compound_332	CC(=NNc1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)C=C(C)C	0.38	0.0
Compound_333	N#Cc1cnc(nc1N)c1cnccn1	0.57	1.0
Compound_334	COC(=O)c1sccc1NN1C(=O)c2c(C1=O)cccc2	0.09	0.0
Compound_335	N#CC(=CN1CCN(CC1)Cc1ccccc1)S(=O)(=O)c1ccc(cc1)Cl	0.05	0.0
Compound_336	N#CC(=Cc1ccc(cc1)Cl)c1nc2c(s1)cccc2	0.95	1.0
Compound_337	N#CC(=Cc1ccccn1)c1nnc(n1c1ccccc1)SCc1c(C)c(C)c(c(c1C)C)C	0.17	0.0
Compound_338	CN(CC1(CCCCC1)CC(c1cccc(c1)F)OC(=O)c1ccc(cc1)N(=O)=O)C	0.14	0.0
Compound_339	CCOC(=O)NC1=Nc2ccccc2NC=C1C#N	0.01	0.0
Compound_340	CCCSc1ncccc1C(=O)Nc1c(C)noc1C	0.27	0.0
Compound_341	CCOC(=O)c1sc2c(c1N)c(c(s2)C(=O)OCC)c1ccco1	0.56	1.0
Compound_342	N#Cc1c(=O)[nH]c2c(c1c1cccnc1)c(C)nn2c1ccccc1	0.05	0.0
Compound_343	Cc1cc(C)c2c(n1)sc1c2ncnc1Sc1nnc(o1)c1ccncc1	0.69	1.0
Compound_344	Fc1ccc(cc1)S(=O)(=O)CCSc1nccc(n1)c1cccs1	0.77	1.0
Compound_345	NCCOc1ccc(cc1)OC	0.25	0.0
Compound_346	O=C1OC(c2c1cccc2)(c1ccccc1)c1ccccc1	0.98	1.0
Compound_347	CC(=O)Nc1cccc(c1)OCCCNC(=O)C1CCCCC1	0.03	0.0
Compound_348	N#Cc1cnc(nc1N)N1CCN(CC1)C	0.02	0.0
Compound_349	Cc1onc(c1)NC(=O)C(=O)NC1CCCCNC1=O	0.0	0.0
Compound_350	O=C(Nc1ccccc1)CSCc1nnc(n1C)SCC(=O)Nc1cccc(c1)Cl	0.12	0.0
Compound_351	Cc1ccc(c(n1)N(=O)=O)OS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.98	1.0
Compound_352	c1ccc(cc1)C1=NC(C(N1)c1ccccc1)c1ccccc1	0.06	0.0
Compound_353	CCOC(=O)c1cc(C(=O)OC)c(nc1SCC(=O)OC)C	0.61	1.0
Compound_354	CSc1nc(nc(c1C#N)c1ccco1)N1CCCC1	0.09	0.0
Compound_355	O=C(N1CCCN(CC1)C(=O)c1cccs1)OC(C)(C)C	0.06	0.0
Compound_356	OC(CSc1ccc(cn1)C(F)(F)F)COc1ccc(cn1)C(F)(F)F	0.21	0.0
Compound_357	O=C(c1ccccc1)N1CCC2(CC1)OCCO2	0.02	0.0
Compound_358	COc1cc(nc2c1cc(C#CCOC(=O)c1cccs1)cc2)C(F)(F)F	0.84	1.0
Compound_359	NC(=S)SC(c1cscc1)CC(=O)c1ccccc1	0.44	0.0
Compound_360	O=C(c1cc(oc1C)c1cccs1)NCCNc1nccc(n1)C(F)(F)F	0.01	0.0
Compound_361	CCCCC1(C(=O)N(N(C1=O)c1ccccc1)c1ccccc1)C1CC(=O)N(C1=O)c1cc(F)ccc1F	0.09	0.0
Compound_362	CCc1cccc(c1NC(=O)C(Cl)Cl)CC	0.96	1.0
Compound_363	O=C(c1ccc(nc1C)C(F)(F)F)NN1CCOCC1	0.04	0.0
Compound_364	O=C(NCc1sccc1C)CCC(=O)O	0.02	0.0
Compound_365	CC1=C(N2CCOCC2)C(=NCCN1)C	0.02	0.0
Compound_366	Nc1sc(c(c1C(=O)c1cccs1)C)C	0.59	1.0
Compound_367	O=C(c1ccco1)NCCNc1nccc(n1)C(F)(F)F	0.02	0.0
Compound_368	CSc1sc(cc1S(=O)(=O)C(C)C)C(=O)NC(=S)Nc1ccccc1Cl	0.87	1.0
Compound_369	CC(Cn1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)cccc2)C	0.06	0.0
Compound_370	O=C(Nc1ccccc1)CSCc1nnc(n1C)SCc1ccc(cc1)OC(F)(F)F	0.07	0.0
Compound_371	O=S1(=O)CCN(CC1)CC1COc2c(O1)cccc2	0.03	0.0
Compound_372	CCOC(=O)Cn1cnc2c(c1=O)oc1c2c(cc(n1)c1ccccc1)c1ccccc1	0.03	0.0
Compound_373	FC(c1ccc(cc1)c1nnc2n1nc(cc2)NC1CC1)(F)F	0.32	0.0
Compound_374	COc1ccc(cc1)c1nc(N)nc(c1)C(F)(F)F	0.71	1.0
Compound_375	NNC(=O)CON=Cc1ccc(cc1Cl)Cl	0.13	0.0
Compound_376	CN(CC1COC(=O)C1=O)C	0.02	0.0
Compound_377	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)OCCO2	0.04	0.0
Compound_378	O=C(c1ccco1)Nc1ccc2c(c1)cccc2	0.69	1.0
Compound_379	ON=C1CCCCC1Cn1cncc1	0.06	0.0
Compound_380	c1ccc(cc1)c1cc(Sc2nnc(o2)c2ccncc2)n2c(n1)ncn2	0.52	1.0
Compound_381	COC(=O)c1cc(OC)c(cc1NC(=O)c1cnc(nc1C(F)(F)F)N(C)C)OC	0.08	0.0
Compound_382	OCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N(Cc1ccccc1)CC	0.01	0.0
Compound_383	CCn1c(nnc1c1cccs1)Sc1ncnc2c1sc1c2c(C)cc(n1)C	0.33	0.0
Compound_384	CCOC(=O)C1CCN(CC1)C(=O)c1cccnc1Oc1ccccc1	0.03	0.0
Compound_385	Clc1ccc(cc1)c1nccc(n1)c1sc(nc1C)C	0.83	1.0
Compound_386	NNC(=O)c1csc(n1)c1ccc(cc1)C(F)(F)F	0.65	1.0
Compound_387	Clc1ccc(c(c1)Cl)OC(=O)C(Oc1nn(c(c1)C(F)(F)F)C)(C)C	0.93	1.0
Compound_388	Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1C(=O)C	0.92	1.0
Compound_389	Clc1cc(ccc1Cl)C1Nc2ccccc2c2n1c1ccccc1n2	0.55	1.0
Compound_390	CC(=O)NCCc1ccc(cc1)OC(=O)C	0.02	0.0
Compound_391	Fc1cc(ccc1F)c1s/c(=N\c2ccccc2)/n(c1)c1ccccc1	0.13	0.0
Compound_392	O=C(NC1CCN(CC1)Cc1ccccc1)CSCC(=O)O	0.0	0.0
Compound_393	COc1cc2c(CC)[nH]c(=O)cc2cc1OC	0.59	1.0
Compound_394	S=c1scc(n1N(C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)N(=O)=O	0.61	1.0
Compound_395	COc1ccc(cc1)OCC(CNC(=O)c1nccnc1C(=O)O)O	0.01	0.0
Compound_396	O=C(C1COc2c(O1)cccc2)N1CCN(CC1)C(=O)c1snnc1C	0.02	0.0
Compound_397	COc1ccc(cc1CSC(=NS(=O)(=O)c1ccccc1)Nc1cccc(c1Cl)Cl)C(=O)C	0.66	1.0
Compound_398	N#CN=C(N=c1nc(n(n1C)C)SC)SC	0.49	0.0
Compound_399	Clc1cccc(c1)N(C(=O)c1ccc(cc1)N(=O)=O)c1nc2c(s1)cccc2	0.9	1.0
Compound_400	CC1CCc2c(C1)sc1c2c(=O)n(c(=S)[nH]1)c1ccccc1	0.03	0.0
Compound_401	CCOC(=O)C1=C(Nc2ccc(cc2)OC(=O)C)C(=O)N(C1)C(C)(C)C	0.08	0.0
Compound_402	CCOC(=O)NC(=O)C(=CNc1sc(c(c1C(=O)OCC)C)C)C#N	0.16	0.0
Compound_403	CCOC(=O)c1ccc(cc1)NC(=S)Nc1ncccc1C	0.14	0.0
Compound_404	COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Br)C1SCCS1	0.97	1.0
Compound_405	S=C1NCN(CN1)CCc1ccccn1	0.09	0.0
Compound_406	C=C1S/C(=N\c2cc(C)c(c(c2)C)C)/N(C1(C)C)C(=O)c1c(F)cccc1F	0.19	0.0
Compound_407	COC(=O)c1ccc(c(c1)NC(=O)c1ccncc1)C	0.14	0.0
Compound_408	CSc1cccc(c1)NC(=O)CC1(CCCC1)CC(=O)O	0.13	0.0
Compound_409	N#CCCON=Cc1ccco1	0.21	0.0
Compound_410	C#CCOC(=O)Nc1cnc(c(c1)C(F)(F)F)Sc1ccccc1	0.34	0.0
Compound_411	CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC(CO)CO	0.49	0.0
Compound_412	CCCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1	0.05	0.0
Compound_413	CCCCCC=CCC=CCC=CCCCCCCC(=O)OC	0.91	1.0
Compound_414	CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC(COP(=O)(O)O)C	0.22	0.0
Compound_415	CCCCCCCCCCCCCCCC(=N[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)COP(=O)(OCC[N+](C)(C)C)[O-])O	0.1	0.0
Compound_416	CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCOP(=O)(O)O	0.21	0.0
Compound_417	CCCCCCCCCCCCCC=CC(C(NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)CO)O	0.29	0.0
Compound_418	CCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O	0.05	0.0
Compound_419	CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2	0.12	0.0
Compound_420	CCCC(=O)N(c1ccc(cc1)OC)C1CCN(CC1)CCc1ccccc1	0.04	0.0
Compound_421	Cc1ccc(cc1)CCN1CCC(CC1)N(c1ccccc1)C(=O)C	0.02	0.0
Compound_422	CC(=O)N(c1ccccc1)C1CCNCC1	0.05	0.0
Compound_423	O=C(N(c1ccccc1)C1CCN(CC1)CCc1ccccc1)c1ccco1	0.02	0.0
Compound_424	CC(C(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1)C	0.02	0.0
Compound_425	COCC1(CCNCC1)N(c1ccccc1)C(=O)CC	0.06	0.0
Compound_426	CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)NCCCCCNC(=O)CCCC[C@H]1SC[C@H]2[C@@H]1NC(=O)N2)O	0.02	0.0
Compound_427	CCCC(=O)N(c1ccc(cc1)F)C1CCN(CC1)CCc1ccccc1	0.04	0.0
Compound_428	CCC(=O)N(c1ccccc1)C1CCN(CC1)CC(c1cccs1)O	0.02	0.0
Compound_429	Clc1ccc(cc1)S(=O)(=O)/N=C/1\CCCCN1CCc1ccc(cc1)N(=O)=O	0.21	0.0
Compound_430	CCCCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1	0.02	0.0
Compound_431	Clc1ccc(cc1)S(=O)(=O)N=C1CCCCN1CCc1ccccc1	0.09	0.0
Compound_432	O=CCC1CC(C)C(=O)C=CC(=CC(C(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)O)C)OC(=O)C)CC)COC1OC(C)C(C(C1OC)OC)O)C	0.02	0.0
Compound_433	CC[NH+]=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)c2c1cccc2	0.3	0.0
Compound_434	O=CCC1CC(C)C(=O)C=CC(=CC(C(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CC(C)C)C)OC(=O)C)CC)COC1OC(C)C(C(C1OC)OC)O)C	0.02	0.0
Compound_435	COC(=O)Nc1nc2c([nH]1)cc(cc2)C(c1ccccc1)O	0.18	0.0
Compound_436	CCCNCC1(O)C(C)OC(CC1(C)OC)OC1C(C)C(=O)OC(CC)C(C)(O)C(O)C(NCC(CC(C(C1C)OC1OC(C)CC(C1O)N(C)C)(C)O)C)C	0.01	0.0
Compound_437	CCCS(=O)(=O)c1ccc2c(c1)[nH]c(n2)N	0.38	0.0
Compound_438	CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC	0.05	0.0
Compound_439	CN1C(=O)C23CC4C1(CN2CCC3(C)O)CC1(C4(C)C)CNc2c1ccc1c2OC=CC(O1)(C)C	0.02	0.0
Compound_440	O=C(Cn1cnc2c(c1=O)cc(c(c2)Br)Cl)CC1NCCCC1O	0.01	0.0
Compound_441	CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC	0.17	0.0
Compound_442	COC(=O)Nc1nc2c([nH]1)cc(cc2)S(=O)(=O)c1ccccc1	0.45	0.0
Compound_443	Fc1ccc(cc1)C(=O)c1ccc2c(c1)[nH]c(n2)N	0.87	1.0
Compound_444	OCCCCCCC(c1ccc(c(c1)O)C1CCCC(C1)O)(C)C	0.18	0.0
Compound_445	O=C(c1ccc2c(c1)[nH]c(n2)N)c1ccccc1	0.87	1.0
Compound_446	CC(CCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2)O	0.34	0.0
Compound_447	Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O	0.47	0.0
Compound_448	CC(CCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2)O	0.44	0.0
Compound_449	COc1cc(Br)c(cc1CCNCc1ccccc1OC)OC	0.09	0.0
Compound_450	COc1cc(Cl)c(cc1CCNCc1ccccc1OC)OC	0.08	0.0
Compound_451	COc1cc(C)c(cc1CCNCc1ccccc1OC)OC	0.02	0.0
Compound_452	COc1cc(CC)c(cc1CCNCc1ccccc1OC)OC	0.04	0.0
Compound_453	COc1ccc(c(c1)CCNCc1ccccc1OC)OC	0.07	0.0
Compound_454	FCCCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.36	0.0
Compound_455	CNC(C(=O)c1cccc(c1)F)C	0.3	0.0
Compound_456	Cc1ccc(cc1)Nc1nc2ccc(cc2c(=O)o1)C	0.09	0.0
Compound_457	CNC(C(c1ccc(cc1)F)O)C	0.09	0.0
Compound_458	CCCCCn1cc(c2c1cccc2O)C(=O)c1cccc2c1cccc2	0.72	1.0
Compound_459	OC(=O)CCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.01	0.0
Compound_460	CCCCCn1cc(c2c1cccc2)C(=O)O	0.06	0.0
Compound_461	CCCCCn1c(O)c(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.45	0.0
Compound_462	FCCCCCn1cc(c2c1cccc2)C(=O)O	0.07	0.0
Compound_463	CCCCCn1cc(c2c1ccc(c2)O)C(=O)c1cccc2c1cccc2	0.69	1.0
Compound_464	CCCCCn1cc(c2c1cc(O)cc2)C(=O)c1cccc2c1cccc2	0.73	1.0
Compound_465	CCCCCn1cc(c2c1c(O)ccc2)C(=O)c1cccc2c1cccc2	0.73	1.0
Compound_466	CCNC(C(c1ccccc1)O)C	0.01	0.0
Compound_467	OCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.27	0.0
Compound_468	CCCCn1cc(c2c1cccc2O)C(=O)c1cccc2c1cccc2	0.68	1.0
Compound_469	CC(C(C(=O)N)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F)C	0.08	0.0
Compound_470	CCCCn1cc(c2c1ccc(c2)O)C(=O)c1cccc2c1cccc2	0.65	1.0
Compound_471	OC(=O)CCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C	0.14	0.0
Compound_472	OC(=O)CCCCn1nc(c2c1cccc2)C(=O)NC(C(=O)N)C(C)C	0.01	0.0
Compound_473	CCCCn1cc(c2c1cc(O)cc2)C(=O)c1cccc2c1cccc2	0.71	1.0
Compound_474	OC(=O)CCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.15	0.0
Compound_475	CCCCn1cc(c2c1c(O)ccc2)C(=O)c1cccc2c1cccc2	0.6	1.0
Compound_476	OC(=O)CCCCn1cc(c2c1cccc2)C(=O)NC(C(C)(C)C)C(=O)N	0.02	0.0
Compound_477	OCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.15	0.0
Compound_478	OC(=O)CCCCn1nc(c2c1cccc2)C(=O)NC(C(C)(C)C)C(=O)N	0.01	0.0
Compound_479	OC(=O)CCCCn1nc(c2c1cccc2)C(=O)NC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3	0.01	0.0
Compound_480	CCCC(C(=O)c1ccccc1)N1CCCC1	0.01	0.0
Compound_481	OC(=O)c1cn(c2c1cccc2)CC1CCCCC1	0.04	0.0
Compound_482	OCCCCCCCC(c1ccc(c(c1)O)C1CCCC(C1)O)(C)C	0.21	0.0
Compound_483	CCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)CO)(C)C)(C)C	0.06	0.0
Compound_484	O=C(c1cccc2c1cccc2)c1cn(c2c1c(O)ccc2)CCN1CCOCC1	0.1	0.0
Compound_485	Oc1ccc2c(c1)n(CCN1CCOCC1)cc2C(=O)c1cccc2c1cccc2	0.1	0.0
Compound_486	COc1cc(ccc1OC)C(=O)NCc1ccc(cc1)OCCN(C)C	0.06	0.0
Compound_487	C1CN=C(O1)NC(C1CC1)C1CC1	0.0	0.0
Compound_488	CN(CCC=C1c2ccsc2SCc2c1cccc2)C	0.03	0.0
Compound_489	OC(=O)c1ccc(c(c1)O)N	0.24	0.0
Compound_490	COc1ccccc1OCC1CNC(=O)O1	0.01	0.0
Compound_491	O=C(Oc1cccc(c1)c1cccc(c1)C(=O)N)NC1CCCCC1	0.21	0.0
Compound_492	CCCCCn1c(C)c(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.52	1.0
Compound_493	O=C(Oc1ccc(c(c1)c1cccc(c1)C(=O)N)O)NC1CCCCC1	0.19	0.0
Compound_494	FCCCCCN1C(=O)C(=NNC(=O)C2C(C2(C)C)(C)C)c2c1cccc2	0.05	0.0
Compound_495	OC(CN1CCN(CC1)c1nccc(n1)C(F)(F)F)CSc1ccccc1	0.02	0.0
Compound_496	CCOC(=O)c1cc(C(=O)OC)c(nc1N1CCCN(CC1)Cc1ccc(cc1)F)C	0.0	0.0
Compound_497	O=N(=O)c1ccc2c(c1)nc(c(n2)c1ccccc1)c1ccccc1	0.87	1.0
Compound_498	O=C(c1cc2ccccc2oc1=O)Nc1ccc2c(c1)COCO2	0.91	1.0
Compound_499	O=C(Nc1ccc(cc1)C(C)(C)C)CSc1nccn1C	0.4	0.0
Compound_500	Fc1ccc(cc1)n1c(=S)[nH]nc1C(c1ccccc1)(c1ccccc1)O	0.06	0.0
Compound_501	Fc1cccc(c1)S(=O)(=O)Oc1ncccc1C(F)(F)F	0.99	1.0
Compound_502	COc1cc(Cl)c(cc1n1c(CCc2onc(n2)c2ccc(cc2)Cl)n[nH]c1=S)OC	0.08	0.0
Compound_503	CSc1nnc(s1)SCC(=O)c1ccc2c(c1)OCCO2	0.44	0.0
Compound_504	O=C(Nc1c(C)cccc1C)CSC(=O)c1sc2c(c1Cl)cccc2	0.53	1.0
Compound_505	O/N=C(/c1cc2c(o1)ccc(c2)N(=O)=O)\C	0.8	1.0
Compound_506	CC(NC(=O)c1cc(nn1Cc1ccc(cc1Cl)Cl)C(C)(C)C)C	0.65	1.0
Compound_507	O=C(C(F)(F)F)NCCc1ccncc1	0.1	0.0
Compound_508	Cc1ccc(cc1)S(=O)(=O)CCNC(=O)c1c(C)onc1c1c(Cl)cccc1Cl	0.04	0.0
Compound_509	Clc1cc(cc(c1)Cl)NC(=O)c1nn(nc1C)c1ccccc1	0.8	1.0
Compound_510	S=C1NCN(CN1)CCCn1cncc1	0.04	0.0
Compound_511	Fc1ccc(cc1)Oc1nc(NCCSC(C)(C)C)nc(n1)Oc1ccc(cc1)F	0.07	0.0
Compound_512	Brc1csc(c1)c1nc(N)nc(c1)c1ccc(c(c1)C)Cl	0.91	1.0
Compound_513	Cc1nn(c(c1)C)c1ccc(cc1)S(=O)(=O)N	0.1	0.0
Compound_514	Cc1ccc(c(n1)N(=O)=O)Oc1ncccc1N(=O)=O	0.25	0.0
Compound_515	Cc1nn(C)c(=O)c(c1c1[nH]nc(c1)c1ccc(c(c1)Cl)Cl)N	0.04	0.0
Compound_516	CCOC1=NC(=Cc2[nH]c(c(c2C(=O)OC)CC(=O)OC)OCC)C(=C1CC(=O)OC)C(=O)OC	0.02	0.0
Compound_517	OC(=O)C(=CC(=O)O)Sc1ccc(cc1)C(C)(C)C	0.2	0.0
Compound_518	O=c1nc(N)[nH]c(c1Br)N	0.05	0.0
Compound_519	CC(N(c1ccccc1)C(=O)CCC(=O)O)C1CC1	0.05	0.0
Compound_520	CCOC(=O)N1CCC(=NNc2ccc(cc2N(=O)=O)N(=O)=O)CC1	0.11	0.0
Compound_521	O=C1NC(=O)NC(=O)C1=Cc1ccncc1	0.12	0.0
Compound_522	COc1ccc(cc1)OCCC(=O)NNC(=S)Nc1cc(Cl)ccc1Cl	0.21	0.0
Compound_523	COCCCNC(=S)NNC(=O)CSCc1c(C)c(C)c(c(c1C)C)C	0.05	0.0
Compound_524	NNC(=O)CS(=O)Cc1cccc(c1)C(F)(F)F	0.36	0.0
Compound_525	OC(=N)N/N=C/c1ccc(o1)c1ccc(cc1N(=O)=O)C(F)(F)F	0.36	0.0
Compound_526	Nc1ccccc1SCC=CCSc1ccccc1N	0.69	1.0
Compound_527	O=C(Nc1ccc(cc1)Cl)NCCc1c[nH]c2c1cccc2	0.47	0.0
Compound_528	ClC(C(=O)Nc1c(Br)cc(cc1Br)C)Cl	0.96	1.0
Compound_529	CCOC(=O)c1c(sc(c1C)C)NS(=O)(=O)c1cccc2c1nsn2	0.37	0.0
Compound_530	O=C(c1ccc(o1)N(=O)=O)Oc1ccccc1C(=O)C	0.46	0.0
Compound_531	N#CNC(=NC1CCCCNC1=O)SC	0.03	0.0
Compound_532	O=N(=O)c1c(nc[nH]c1=NCc1ccco1)NCc1ccco1	0.05	0.0
Compound_533	O=C(c1ccc(cc1)F)CC(=O)N	0.1	0.0
Compound_534	O=C1C2CCN(C1CSc1ccc(cc1)Cl)CC2	0.21	0.0
Compound_535	COc1cc(nc2c1cc(C#CCOC(=O)c1ccccc1)cc2)C(F)(F)F	0.81	1.0
Compound_536	N#CC(=Cc1ccc(s1)C#Cc1ccccc1)C(=O)c1cccs1	0.65	1.0
Compound_537	CC(C(=O)c1ccccc1)N1CCCC1	0.05	0.0
Compound_538	CCCCC(C(=O)c1ccc(cc1)C)N1CCCC1	0.14	0.0
Compound_539	CCCCCn1cc(c2c1cccc2)C(=O)Cc1cccc(c1)OC	0.15	0.0
Compound_540	CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)c1cc(ccc1I)N(=O)=O	0.17	0.0
Compound_541	CCCCCCc1ccc(cc1OCCCCCCCCCCC(=O)NC1CC1)O	0.24	0.0
Compound_542	CCCCCn1cc(cc1c1ccccc1)C(=O)c1cccc2c1cccc2	0.36	0.0
Compound_543	CCCCCc1cc(OCCCCCCCCCCC(=O)NC2CC2)cc(c1)O	0.32	0.0
Compound_544	CCCCCn1cc(cc1c1ccccc1Cl)C(=O)c1cccc2c1cccc2	0.79	1.0
Compound_545	CC(Cc1ccc2c(c1)occ2)N	0.26	0.0
Compound_546	COc1ccc(cc1)C(=O)c1c(C)n(c2c1ccc(c2)I)CCN1CCOCC1	0.11	0.0
Compound_547	CC(Cc1ccc2c(c1)cco2)N	0.26	0.0
Compound_548	COc1ccc(cc1)C1(CCCCC1)N1CCCCC1	0.02	0.0
Compound_549	COc1cccc(c1)C1(CCCCC1)N1CCCCC1	0.02	0.0
Compound_550	COc1cc(OC)c(cc1CC(N)C)OC	0.37	0.0
Compound_551	CCN(CCc1c[nH]c2c1c(O)ccc2)C	0.06	0.0
Compound_552	CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1Br	0.31	0.0
Compound_553	CCNC(C(=O)c1ccccc1C)C	0.01	0.0
Compound_554	Cc1cccc(c1)C(=O)C(N1CCCC1)C	0.06	0.0
Compound_555	CCC(C(=O)c1ccc(cc1)C)NC	0.07	0.0
Compound_556	COC(=O)C1CC(O)C(=O)C2C1(C)CCC1C2(C)CC(OC1=O)c1cocc1	0.36	0.0
Compound_557	CC(N(C(C)C)CCc1c[nH]c2c1cccc2)C	0.01	0.0
Compound_558	FCCCCCn1cc(c2c1cccc2)C(=O)NC12CC3CC(C2)CC(C1)C3	0.05	0.0
Compound_559	CC(=O)C(c1ccccc1F)N	0.34	0.0
Compound_560	C=CCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.6	1.0
Compound_561	O=C(N1CCN(CC1)Cc1cccc(c1)Oc1ccccc1)OC(C(F)(F)F)C(F)(F)F	0.02	0.0
Compound_562	O=C(N(Cc1cccc(c1)c1ccncc1)C)OC(C(F)(F)F)C(F)(F)F	0.21	0.0
Compound_563	BrCCCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.17	0.0
Compound_564	CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)Br	0.78	1.0
Compound_565	COc1ccc(c(c1)CC/N=C/c1ccccc1OC)OC	0.16	0.0
Compound_566	CCCCCCC(c1ccc(c(c1)O)C1CC(O)CCC1CCCO)(C)C	0.1	0.0
Compound_567	COCCn1/c(=N/C(=O)C2C(C2(C)C)(C)C)/sc(c1C)C	0.04	0.0
Compound_568	OCCC1(CO)CCC2(O1)C(C)CCC1C2(C)CCC(C1(C)CO)O	0.18	0.0
Compound_569	CCCC(C(=O)c1ccc(cc1)OC)N1CCCC1	0.03	0.0
Compound_570	CCCC(C(=O)c1ccc(c(c1)OC)OC)N1CCCC1	0.04	0.0
Compound_571	CNC(Cc1ccc2c(c1)occ2)C	0.03	0.0
Compound_572	CNC(Cc1ccc2c(c1)CCO2)C	0.06	0.0
Compound_573	COc1cc(ccc1O)CC(N)C	0.34	0.0
Compound_574	CCCCCCCn1cc(cc1c1ccccc1)C(=O)c1cccc2c1cccc2	0.28	0.0
Compound_575	COc1cc(SC)c(cc1CCNCc1ccccc1OC)OC	0.12	0.0
Compound_576	CCCCCCCC(C(=O)c1ccccc1)N1CCCC1	0.21	0.0
Compound_577	COC(=O)C(C(C)(C)C)OC(=O)c1nn(c2c1cccc2)CC1CCCCC1	0.12	0.0
Compound_578	CNCC1CCc2c(C1=O)cccc2	0.03	0.0
Compound_579	Cc1[nH]c2c(c1C(=O)c1cccc3c1cccc3)cccc2	0.96	1.0
Compound_580	CCCCCCC(C(=O)c1ccccc1)N1CCCC1	0.21	0.0
Compound_581	COC(=O)C(C(C)(C)C)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F	0.5	0.0
Compound_582	CCCCCCC(C(=O)c1ccc(cc1)F)N1CCCC1	0.23	0.0
Compound_583	COC(=O)[C@H](C(C)(C)C)NC(=O)c1cn(c2c1cccc2)CC1CCCCC1	0.09	0.0
Compound_584	Fc1ccc(cc1)Cn1nc(c2c1cccc2)C(=O)Oc1cccc2c1nccc2	0.25	0.0
Compound_585	O=C(OC1CCC2C1(C)CCC1C2CCC2=CC(=O)C=CC12C)CCC1CCCC1	0.93	1.0
Compound_586	FCCCCCn1nc(c2c1cccc2)C(=O)NC(C(C)(C)C)C(=O)OC	0.06	0.0
Compound_587	CCCC(C(=O)c1ccc2c(c1)CCO2)N1CCCC1	0.09	0.0
Compound_588	CC1N=C(OC1c1ccc(cc1)C)N	0.05	0.0
Compound_589	CNC(C(=O)c1ccc(cc1)Cl)C	0.71	1.0
Compound_590	CCNC(Cc1ccc2c(c1)cco2)C	0.13	0.0
Compound_591	CCCC(c1ccc2c(c1)OC(C1C2CC(=CC1)C)(C)C)(C)C	0.58	1.0
Compound_592	COc1cc(C(=O)CN)c(cc1Br)OC	0.12	0.0
Compound_593	CCCCCC1=CC(=O)C(=C(C1=O)O)C1C=C(C)CCC1C(=C)C	0.45	0.0
Compound_594	FCCCCCn1nc(c2c1cccc2)C(=O)Oc1cccc2c1cccc2	0.14	0.0
Compound_595	CCC(C(=O)c1ccc(cc1)OC)N1CCCC1	0.07	0.0
Compound_596	Brc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1F	0.01	0.0
Compound_597	CCCCCC(C(=O)c1ccc(cc1)F)N1CCCC1	0.23	0.0
Compound_598	CCCCC(C(=O)c1ccc2c(c1)OCO2)N1CCCC1	0.51	1.0
Compound_599	FCCCCCn1cc(c2c1cccc2)C(=O)NC(C(=O)OC)C(C)C	0.09	0.0
Compound_600	Fc1ccc(cc1)Cn1nc(c2c1cccc2)C(=O)NC12CC3CC(C2)CC(C1)C3	0.13	0.0
Compound_601	NC(=O)C(C(C)(C)C)NC(=O)n1c2ccccc2n(c1=O)CCC(O)(C)C	0.01	0.0
Compound_602	CCCCCn1c2ccc(cc2c2c1cccc2)C(=O)c1cccc2c1cccc2	0.58	1.0
Compound_603	CCCC(C(=O)c1ccc(cc1)C)NCC	0.08	0.0
Compound_604	Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1Cl	0.02	0.0
Compound_605	FCCCCCn1nc(c2c1cccc2)C(=O)Oc1cccc2c1nccc2	0.08	0.0
Compound_606	Fc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.68	1.0
Compound_607	CCCCCn1cc(c2c1cc(OC)cc2)C(=O)c1cccc2c1cccc2	0.73	1.0
Compound_608	COC(=O)C(C(C)C)NC(=O)c1nn(c2c1cccc2)CC1CCCCC1	0.17	0.0
Compound_609	FCCCCCn1ccc2c1cccc2	0.39	0.0
Compound_610	CCCCCn1ccc(c1)C(=O)c1cccc2c1cccc2	0.48	0.0
Compound_611	CC(CCCn1ccc2c1cccc2)F	0.51	1.0
Compound_612	CCCCn1cc(c2c1cccc2)C(=O)c1c(C)ccc2c1cccc2	0.65	1.0
Compound_613	CCCC(Cn1ccc2c1cccc2)F	0.53	1.0
Compound_614	CNCC(Cc1ccc2c(c1)OCO2)C	0.57	1.0
Compound_615	CCC(C(=O)c1cccs1)N1CCCC1	0.2	0.0
Compound_616	CCNC(C(=O)c1ccc(cc1)CC)C	0.06	0.0
Compound_617	FCCCCCn1cc(c2c1cccc2)C(=O)Oc1cccc2c1cccc2	0.31	0.0
Compound_618	FCCCCCn1c2ccccc2nc1C(=O)c1cccc2c1cccc2	0.06	0.0
Compound_619	Fc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)Oc1cccc2c1cccc2	0.76	1.0
Compound_620	FCCCCCn1cc(c2c1cccc2)C(=O)Nc1cccc2c1nccc2	0.07	0.0
Compound_621	FCCCCCn1nc(c2c1cccc2)C(=O)NC(C(=O)N)C(C)C	0.03	0.0
Compound_622	COc1cc(Cl)c(cc1CCNCc1cc(OC)c(c(c1)OC)OC)OC	0.23	0.0
Compound_623	CCOC(=O)CNC(=O)C1CCCN1C(=O)Cc1ccccc1	0.04	0.0
Compound_624	NCCc1cc(OC)c(cc1OC)C(F)(F)F	0.05	0.0
Compound_625	FCCCCCn1cc(c2c1cccc2)C(=O)C12CC3CC(C2)CC(C1)C3	0.22	0.0
Compound_626	CCCCCn1cc(c2c1cccc2)C(=O)NC(C(C)(C)C)C(=O)N	0.1	0.0
Compound_627	CCCC(C(=O)c1ccccc1)NCC	0.07	0.0
Compound_628	CN(C(Cc1ccc2c(c1)OCO2)C)C	0.34	0.0
Compound_629	CNC(Cc1ccc2c(c1)cco2)C	0.03	0.0
Compound_630	CCNC(C(=O)c1cccc(c1)C)C	0.02	0.0
Compound_631	CCNC1(CCCCC1=O)c1ccccc1	0.03	0.0
Compound_632	CNC(C(=O)c1ccccc1C)C	0.35	0.0
Compound_633	CCNC(C(=O)c1cc(C)c2c(c1)OCO2)C	0.38	0.0
Compound_634	CNC(C(=O)c1cccc(c1C)C)C	0.37	0.0
Compound_635	CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1	0.29	0.0
Compound_636	CCCN(CCc1c[nH]c2c1cccc2)CCC	0.13	0.0
Compound_637	CCCC(=O)C(c1ccccc1)NC	0.07	0.0
Compound_638	O=C(c1c[nH]c2c1cccc2)c1cccc2c1cccc2	0.95	1.0
Compound_639	COc1cc2CC(Cc2cc1C)N	0.61	1.0
Compound_640	CCC(Cc1c[nH]c2c1c(C)ccc2)N	0.14	0.0
Compound_641	C1CCN(CC1)C1(CCCCC1)c1cc2c(s1)cccc2	0.01	0.0
Compound_642	COc1cc(OC)cc(c1CC(N)C)OC	0.28	0.0
Compound_643	COc1cc(I)c(cc1CC/N=C/c1ccccc1OC)OC	0.15	0.0
Compound_644	CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.02	0.0
Compound_645	Clc1cc2[nH]c(nc2cc1Oc1cccc(c1Cl)Cl)S(=O)(=O)C	0.92	1.0
Compound_646	Clc1cc2[nH]c(nc2cc1Oc1cccc(c1Cl)Cl)S(=O)C	0.93	1.0
Compound_647	CCN(c1ccc2c(c1)oc1c(n2)c2ccccc2c(=[NH2+])c1)CC	0.07	0.0
Compound_648	O=C(Nc1ccc(cc1)Cl)ONC(=N)c1csc(c1)N(=O)=O	0.94	1.0
Compound_649	CN(c1ccc(cc1)C(=C1C=CC(=[NH+]c2ccccc2)c2c1cccc2)c1ccc(cc1)N(C)C)C	0.18	0.0
Compound_650	O=C1C2CC=CCC2C(=O)N1c1cccc(n1)N1C(=O)C2C(C1=O)CC=CC2	0.01	0.0
Compound_651	CSC(=CC(=O)c1ccc(cc1)Cl)SC	0.84	1.0
Compound_652	O=N(=O)c1ccc(cc1)c1n[nH]nn1	0.97	1.0
Compound_653	COC(=O)c1ccccc1CSc1nccc(n1)C(F)(F)F	0.34	0.0
Compound_654	COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1Sc1ncnc2c1scc2C	0.39	0.0
Compound_655	C1CCN2C(C1)CSC2=Nc1ccc2c(c1)OCO2	0.1	0.0
Compound_656	CCCCNC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1	0.02	0.0
Compound_657	OC(CN1CCC(CC1)C(=N)O)COc1ccc(cc1N(=O)=O)C	0.02	0.0
Compound_658	O=C(c1cccs1)NNc1ccc(cc1)S(=O)(=O)N	0.2	0.0
Compound_659	COc1ccc(cc1)NNC(=O)c1c(C)onc1c1c(F)cccc1Cl	0.35	0.0
Compound_660	N#CCc1ccc(cc1)NC(=O)Nc1ccc(cc1)OC(F)(F)F	0.52	1.0
Compound_661	O=C(Nc1ccccc1)Nc1cccc(c1)S(=O)(=O)N	0.03	0.0
Compound_662	O=C(c1c(C)nc2n1cccc2)NNS(=O)(=O)c1ccc(s1)c1ccccn1	0.39	0.0
Compound_663	O=C(c1cccnc1Oc1ccccc1)Nc1cccc(c1)S(=O)(=O)N	0.14	0.0
Compound_664	CC(=O)Nc1ccc(cn1)NC(=O)c1nccnc1C(=O)O	0.03	0.0
Compound_665	O=C(c1nccnc1C(=O)O)Nc1ccccc1N1CCOCC1	0.0	0.0
Compound_666	COC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1)c1cn2c(n1)SCC2	0.59	1.0
Compound_667	COc1ccc(cc1NC(=O)Nc1ccc(cc1)N1CCCCC1)Cl	0.17	0.0
Compound_668	O=N(=O)c1ccc(cc1)N1CCC(CC1)n1cccc1	0.75	1.0
Compound_669	CCOC(=O)c1ccccc1c1c2cc(C)c(=NCC)cc2oc2c1cc(C)c(c2)NCC	0.35	0.0
Compound_670	Clc1ccc(cc1)CSc1ncnc2c1sc1c2c(c2ccccc2)c(nn1)c1ccccc1	0.88	1.0
Compound_671	COc1cc(ccc1OC)C(=O)NCc1ccco1	0.08	0.0
Compound_672	CCOC(=O)c1cnn(c1N)C(=O)c1snnc1C	0.36	0.0
Compound_673	O=C(c1ccc2c(c1)cccn2)NCc1ccccc1	0.74	1.0
Compound_674	O=C(CN1C(=O)c2c(S1(=O)=O)cccc2)NCc1ccccc1	0.03	0.0
Compound_675	O=C(NC1Cc2c(C1)cccc2)CSc1nnnn1c1ccccc1	0.15	0.0
Compound_676	Cc1scc(n1)c1ccc(s1)S(=O)(=O)Nc1ccc2c(c1)OCCO2	0.57	1.0
Compound_677	O=C(NC1Cc2c(C1)cccc2)CSc1nc2c([nH]1)cc(cc2)C	0.2	0.0
Compound_678	O=C(c1csc(n1)c1cccc2c1CCO2)Nc1ccc2c(c1)OCCO2	0.3	0.0
Compound_679	c1ccc(cc1)CN1CCC(=N1)C=Cc1ccco1	0.03	0.0
Compound_680	O=c1c2cc(ccc2oc2c1cccc2)NS(=O)(=O)C	0.84	1.0
Compound_681	CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(C(C2O)N(C)C)O)C(CCN2CCCCC2)CC(C(=O)C=CC(=CC1CN1CCCCC1)C)C	0.03	0.0
Compound_682	CCCNC(=CC(=S)Nc1cccc2c1cccc2)c1ccc(cc1)OC	0.3	0.0
Compound_683	CN(C=C1Cc2c(C1=O)cccc2)C	0.12	0.0
Compound_684	O=C(CN1c2ccccc2Sc2c1cccc2)NN=Cc1ccco1	0.07	0.0
Compound_685	Clc1ccc(cc1)OC(=O)c1sc2n(c1C)nc(n2)c1ccc(cc1)Cl	0.62	1.0
Compound_686	Fc1ccc(cc1)C(=O)NNC1=Nc2c(SC1)cccc2	0.04	0.0
Compound_687	CCOC(Cc1nnc(n1C)SCC(=O)c1ccc(cc1Cl)Cl)OCC	0.63	1.0
Compound_688	O=C1C2CCN(C1=Cc1cscc1)CC2	0.03	0.0
Compound_689	Clc1ccc(c(c1)Cl)C=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1	0.04	0.0
Compound_690	NNC(=O)c1noc(c1c1csc(n1)COc1ccc(cc1)Cl)C	0.63	1.0
Compound_691	COc1ccc(cc1)C=C1NC(=O)CN(C1=O)C(=O)C	0.04	0.0
Compound_692	COc1ccc(cc1OC)CCn1c(=O)c2cccc3c2c(c1=O)cc(c3)N(=O)=O	0.31	0.0
Compound_693	N#CC(=Cc1ccc(cc1)NC(=O)C)C(=O)N	0.24	0.0
Compound_694	O=C(Nc1cccc(c1)Cl)NNC(=O)c1noc(c1c1csc(n1)c1csc(n1)C)C	0.41	0.0
Compound_695	O=C(NN1CC(=O)N(CC1=O)c1cccc(c1)Cl)CSc1nnc(n1C)c1ccncc1	0.08	0.0
Compound_696	O=C(c1ccc(cc1)OC(F)(F)F)NNC(=O)c1ccc(cc1)Cl	0.5	0.0
Compound_697	CCn1nc(cc1c1nnc(o1)c1ccc(cc1)C)C	0.44	0.0
Compound_698	N=C(Cc1ccc(cc1)N(=O)=O)NOC(=O)c1ccc(cc1)C(C)(C)C	0.49	0.0
Compound_699	COc1cc(C=NNC(=S)Nc2cc(Cl)ccc2Cl)ccc1OS(=O)(=O)c1ccc(cc1)C	0.95	1.0
Compound_700	Cc1ccc(o1)C=c1sc2n(c1=O)nc(c(=O)n2)C	0.08	0.0
Compound_701	CCNC(=O)NNc1c(Cl)cccc1Cl	0.23	0.0
Compound_702	CSc1nc2ccccc2c(=O)n1c1cc(OC)c(cc1OC)Cl	0.11	0.0
Compound_703	Clc1ccc(cc1)CSCCNC(=O)c1ccco1	0.23	0.0
Compound_704	CCCCc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2	0.35	0.0
Compound_705	CC(N1CC(OC1=O)COc1ccc(cc1)Br)C	0.46	0.0
Compound_706	Cc1ccc2c(c1)c(=O)n(c(=S)[nH]2)c1cccnc1	0.06	0.0
Compound_707	O=N(=O)c1cc(ccc1N)c1ccc(c(c1)N(=O)=O)N	0.97	1.0
Compound_708	N#CC(=Cc1cccn1c1ccc(cc1)C(F)(F)F)C(=O)OC	0.49	0.0
Compound_709	NNC(=O)Cc1ccccc1	0.71	1.0
Compound_710	O/N=C/c1c(CO)cnc(c1O)C	0.01	0.0
Compound_711	O=C(CC12CC3CC(C2)CC(C1)C3)NCc1cccc(c1)Cl	0.45	0.0
Compound_712	N#CC(=Cc1cc(C(=O)OC)c(cc1OC)OC)C#N	0.79	1.0
Compound_713	CC(=O)Nc1ccc(cc1)c1ccccc1	0.86	1.0
Compound_714	COc1cc2OC(C)(C)C=Cc2c2c1C(=O)CC(O2)c1ccccc1	0.98	1.0
Compound_715	Fc1ccccc1CN1CCN(CC1)c1cccc2c1cc[nH]2	0.03	0.0
Compound_716	N#CC1=C(N)OC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C	0.47	0.0
Compound_717	Cn1c(=NN=c2oc3c(n2C)cccc3)oc2c1cccc2	0.08	0.0
Compound_718	N#Cc1c(NC(=O)C)sc2c1CCc1c2cccc1	0.66	1.0
Compound_719	CN(CCNc1ccc(c2c1nccc2)N(=O)=O)C	0.11	0.0
Compound_720	COc1cc(Nc2ncnc(n2)N)cc(c1OC)OC	0.78	1.0
Compound_721	Nc1n[nH]c(c1c1ccccc1)c1ccccc1	0.31	0.0
Compound_722	Clc1ccc(cc1)CSc1ccc(cc1C(F)(F)F)N(=O)=O	0.89	1.0
Compound_723	CCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)NNS(=O)(=O)c1cccc(c1)C(F)(F)F)C	0.53	1.0
Compound_724	Clc1ccc(cc1)S(=O)(=O)CCSCC(=O)N1CCCC1	0.76	1.0
Compound_725	CCOC(=O)NS(=O)(=O)c1ccccc1Cl	0.21	0.0
Compound_726	O=C(Cn1nnc(n1)c1cccc(c1Cl)Cl)NNS(=O)(=O)C	0.28	0.0
Compound_727	CC(=NOC(=O)c1scc(c1Cl)S(=O)(=O)C)C	0.55	1.0
Compound_728	N#CC(=NNc1cccc(c1)c1ccnc(n1)C)C(=O)c1ccc(cc1)Cl	0.14	0.0
Compound_729	S=C(N(C)C)Nc1cccc(c1)C(F)(F)F	0.78	1.0
Compound_730	COC(=C(C#N)C#N)c1c(C)onc1c1c(Cl)cccc1Cl	0.85	1.0
Compound_731	O=C(Nc1ccc(cc1)C)Nc1ccc(cc1)C	0.9	1.0
Compound_732	COCCCNC(=S)NN=Cc1ccc(s1)c1ccc(cc1)OC	0.17	0.0
Compound_733	NC(=O)CC(c1c(Cl)cccc1Cl)CC(=O)N	0.13	0.0
Compound_734	CCCS(=O)(=O)c1cscc1NC(=O)c1c(C)onc1c1c(F)cccc1Cl	0.14	0.0
Compound_735	O=C1N(c2ccc(cc2)OC(F)(F)F)C(=O)C2C1C(=C1C(=O)c3c(C1=O)cccc3)NC2c1ccccn1	0.04	0.0
Compound_736	OC(=O)C=Cc1ccc(cc1)OC(F)(F)F	0.62	1.0
Compound_737	CCOC(=O)c1ccc(cc1)n1c(=S)[nH]c2c1cccc2	0.2	0.0
Compound_738	O=C(c1c(C)noc1C)N=C(C12CC3CC(C2)CC(C1)C3)N	0.01	0.0
Compound_739	CC(=O)Cc1nsc(n1)Nc1ccccc1	0.46	0.0
Compound_740	Cc1c(C)c(C)c(c2c1nc([nH]2)c1ccc2c(c1)OCO2)C	0.77	1.0
Compound_741	CSc1nnc(n1C)c1csc(c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F	0.86	1.0
Compound_742	COc1ccc(cc1)C(=O)C(N1CCCC1)C	0.02	0.0
Compound_743	COc1ccccc1CNCCn1c(=O)[nH]c2c(c1=O)cccc2	0.0	0.0
Compound_744	CCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2c1cc(OC)cc2	0.02	0.0
Compound_745	O=C(Nc1ccc(cc1)OC(F)(F)F)ON=C(c1cnccn1)N	0.02	0.0
Compound_746	NNC(=O)CNS(=O)(=O)c1cccc2c1nsn2	0.1	0.0
Compound_747	FCCCCCn1cc(c2c1cccc2)C(=O)OC	0.19	0.0
Compound_748	CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccc(cc1)OC	0.19	0.0
Compound_749	CCCCCCn1cc(cc1c1ccccc1)C(=O)c1cccc2c1cccc2	0.28	0.0
Compound_750	CCCCCn1cc(cc1c1cccc2c1cccc2)C(=O)c1cccc2c1cccc2	0.37	0.0
Compound_751	FCCCCCn1nc(c2c1cccc2)C(=O)NC(C(C)(C)C)C(=O)N	0.04	0.0
Compound_752	O=C(C1COc2c(O1)cccc2)Nc1n[nH]c(c1)c1ccccc1	0.02	0.0
Compound_753	Brc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccn1	0.01	0.0
Compound_754	Fc1ccc(cc1)CN1CCNCC1	0.04	0.0
Compound_755	CC(Cc1ccc2c(c1)OCC2)N	0.22	0.0
Compound_756	NC(=NOC(=O)c1cccc(c1)C(F)(F)F)c1ccc2c(c1)C=CC(O2)(C)C	0.08	0.0
Compound_757	FCCCCCn1nc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.1	0.0
Compound_758	CCCCCn1cc(c2c1cccc2)C(=O)N1CCN(CC1)C	0.02	0.0
Compound_759	CCCCCn1cc(c2c1cccc2)Cc1cccc2c1cccc2	0.58	1.0
Compound_760	CCNC(C(=O)c1cccc(c1C)C)C	0.01	0.0
Compound_761	CCNC(C(=O)c1ccc(cc1)F)C	0.18	0.0
Compound_762	FCCCCCn1nc(c2c1cccc2)C(=O)NC(C(=O)OC)C(C)C	0.12	0.0
Compound_763	c1ccc(cc1)CC(c1ccccc1)N1CCCCC1	0.04	0.0
Compound_764	NCCc1c2OCCc2c(c2c1CCO2)Br	0.17	0.0
Compound_765	CN(C(C)C)CCc1c[nH]c2c1c(O)ccc2	0.02	0.0
Compound_766	CCN(C(C(=O)c1ccccc1)C)C	0.04	0.0
Compound_767	COc1ccccc1C(N1CCCCC1)Cc1ccccc1	0.01	0.0
Compound_768	O=C(C1C(C1(C)C)(C)C)c1cn(c2c1cccc2)CCN1CCOCC1	0.01	0.0
Compound_769	Clc1ccc2c(c1)C(=NC(c1n2c(C)nn1)O)c1ccccc1	0.03	0.0
Compound_770	O=C(c1nn(c2c1cccc2)c1ccccc1F)Oc1ccc2c(c1)cccc2	0.54	1.0
Compound_771	CCCC(C(=O)c1ccc2c(c1)OCO2)NCC	0.36	0.0
Compound_772	COc1ccc(cc1)C(=O)C(N(C)C)C	0.17	0.0
Compound_773	CCCCCn1nc(c2c1cccc2)C(=O)NC(C(=O)OC)C(C)C	0.33	0.0
Compound_774	CCCCCn1cc(c2c1cccc2)C(=O)Nc1ccccc1	0.11	0.0
Compound_775	CCC(C(=O)c1ccc(cc1)C)N(C)C	0.04	0.0
Compound_776	FCCCCCn1c2ccccc2c(c1C)C(=O)C1C(C1(C)C)(C)C	0.15	0.0
Compound_777	FCCCCCn1cc(c2c1cccc2)C(=N[C@H](C(=N)O)Cc1ccccc1)O	0.01	0.0
Compound_778	CCCCCn1cc(C(=O)NC23CC4CC(C3)CC(C2)C4)c(=O)c2c1ccc(c2)C(C)C	0.06	0.0
Compound_779	FCCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)CC	0.63	1.0
Compound_780	CNC(C(=O)c1ccc2c(c1)OCCO2)C	0.07	0.0
Compound_781	CCCCCn1cc(c2c1cccc2)C(=O)CC(C(=C)C)(C)C	0.6	1.0
Compound_782	CCCCCn1nc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.22	0.0
Compound_783	FCCCCCn1nc(c2c1cccc2)C(=O)N[C@@H](C(=O)N)Cc1ccccc1	0.01	0.0
Compound_784	CCCC(C(=O)c1ccc(cc1)F)N1CCCC1	0.0	0.0
Compound_785	CCC(C(=O)c1cccc(c1)C)NC	0.09	0.0
Compound_786	CCCCCOc1ccc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.97	1.0
Compound_787	CCC(CCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C)Cl	0.51	1.0
Compound_788	O=C1CN=C(c2c(N1)ccc(c2)Br)c1ccccc1F	0.04	0.0
Compound_789	CCCCCCC(c1cc(OCCCCCCCC(=O)NC2CC2)cc(c1)O)(C)C	0.2	0.0
Compound_790	CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)CCC	0.59	1.0
Compound_791	CNC(Cc1cc(OC)ccc1OC)C	0.27	0.0
Compound_792	CCCCn1cc(c2c1cccc2)C(=O)c1ccc(cc1)OC	0.59	1.0
Compound_793	CCCCCCn1ccc(c1)C(=O)c1cccc2c1cccc2	0.63	1.0
Compound_794	O=C(N1CCN(CC1)Cc1cccc(c1)Oc1ccccc1)Oc1ccc(cc1)N(=O)=O	0.12	0.0
Compound_795	FCCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)Cl	0.6	1.0
Compound_796	CCCCCn1cc(cc1c1ccccc1C)C(=O)c1cccc2c1cccc2	0.31	0.0
Compound_797	CCCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.59	1.0
Compound_798	CC(=O)Cc1ccc2c(c1)OCO2	0.99	1.0
Compound_799	CCCOc1c(OC)cc(cc1OC)CC(N)C	0.17	0.0
Compound_800	COc1cc(I)c(cc1CCNCc1ccccc1O)OC	0.04	0.0
Compound_801	NCCc1cc(OC)c(cc1OC)SC	0.26	0.0
Compound_802	CNC(C(=O)c1cccc(c1)C)C	0.24	0.0
Compound_803	CCCCCn1nc(c2c1cccc2)C(=O)Nc1cccc2c1cccc2	0.25	0.0
Compound_804	CCNC(C(=O)c1cccc(c1)F)C	0.18	0.0
Compound_805	FCCCCCn1cc(c2c1cccc2)C(=O)NC(C(C)(C)C)C(=O)N	0.03	0.0
Compound_806	CNC(C(=O)c1cccc(c1)Br)C	0.76	1.0
Compound_807	CCNC(C(=O)c1ccc(cc1C)C)C	0.02	0.0
Compound_808	CNC(Cc1ccccc1F)C	0.14	0.0
Compound_809	O=C(c1cn(c2c1cccc2)CC1CCCCC1)Oc1cccc2c1nccc2	0.3	0.0
Compound_810	FCCCCCn1cc(c2c1cccc2)C(=O)Nc1cccc2c1cccc2	0.1	0.0
Compound_811	COc1ccc2c(c1)c(CCN(C(C)C)C)c[nH]2	0.01	0.0
Compound_812	CC(C(=O)c1ccccc1C)N1CCCC1	0.04	0.0
Compound_813	NC(=O)C(C(C)(C)C)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F	0.33	0.0
Compound_814	COC(=O)C1CC(OC(=O)C)C(=O)C2C1(C)CCC1C2(C)CC(OC1=O)c1cocc1	0.56	1.0
Compound_815	CCCC(C(=O)c1ccc2c(c1)cccc2)NC	0.18	0.0
Compound_816	FCCCCCn1cc(c2c1cccc2)C(=O)c1cccnc1	0.22	0.0
Compound_817	N#CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.88	1.0
Compound_818	CCN(CCc1c[nH]c2c1c(O)ccc2)CC	0.08	0.0
Compound_819	NCCc1cc(OC)c(c(c1OC)C)C	0.05	0.0
Compound_820	O=C(c1ccc(c2c1cccc2)C)c1cn(c2c1cccc2)CCN1CCOCC1	0.15	0.0
Compound_821	CC(Cc1cccc2c1OCO2)N	0.74	1.0
Compound_822	CC(Cc1c2OCCc2c(c2c1CCO2)Br)N	0.3	0.0
Compound_823	C=CCc1ccc2c(c1)OCO2	0.99	1.0
Compound_824	CC(CCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C)Cl	0.64	1.0
Compound_825	COc1ccc2c(c1)c(c[nH]2)CC(N)C	0.16	0.0
Compound_826	CNC1(CCCCC1=O)c1ccccc1OC	0.05	0.0
Compound_827	CCCCCn1c(C)c(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)CC	0.66	1.0
Compound_828	C=CCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C	0.74	1.0
Compound_829	CNC(Cc1ccc(c(c1)O)O)C	0.25	0.0
Compound_830	CCCCCn1c(C)c(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)OC	0.72	1.0
Compound_831	CCCCn1c(C)c(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.63	1.0
Compound_832	NC1Cc2c(C1)cc(cc2)I	0.61	1.0
Compound_833	O=C(C1C(C1(C)C)(C)C)c1cn(c2c1cccc2)CC1CCOCC1	0.25	0.0
Compound_834	CCNC(C(=O)c1cccc(c1)CC)C	0.05	0.0
Compound_835	CCc1ccc(cc1)C(=O)C(N(C)C)C	0.06	0.0
Compound_836	CCNC(C(=O)c1ccccc1F)C	0.07	0.0
Compound_837	CC(N(C(C)C)CCc1c[nH]c2c1c(O)ccc2)C	0.02	0.0
Compound_838	CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2c1cccc2)C1CCCNC1	0.03	0.0
Compound_839	FCCCCCn1nc(c2c1cccc2)C(=O)NC12CC3CC(C2)CC(C1)C3	0.04	0.0
Compound_840	CCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.9	1.0
Compound_841	CCCCCn1cc(c2c1cccc2)C(=O)Nc1cccc2c1cccc2	0.14	0.0
Compound_842	C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1	0.03	0.0
Compound_843	CC(Cc1ccc2c(c1)[nH]cc2)N	0.3	0.0
Compound_844	CCCCCn1c(C)c(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C	0.66	1.0
Compound_845	COc1ccc(c2c1cccc2)C(=O)c1cn(c2c1cccc2)CCN1CCOCC1	0.09	0.0
Compound_846	CN(CCc1c[nH]c2c1c(ccc2)OC(=O)C)C	0.01	0.0
Compound_847	CCCCCn1cc(c2c1cccc2)C(=O)NCc1ccccc1	0.15	0.0
Compound_848	COc1cc(I)c(cc1CCNCc1ccccc1F)OC	0.17	0.0
Compound_849	CNC(Cc1ccc2c(c1)OCCO2)C	0.24	0.0
Compound_850	CCCCn1cc(c2c1cc(OC)cc2)C(=O)c1cccc2c1cccc2	0.69	1.0
Compound_851	CCC(C(=O)c1ccc(cc1)F)NC	0.19	0.0
Compound_852	CCC(Cc1c[nH]c2c1cc(OC)cc2)N	0.42	0.0
Compound_853	COc1cccc2c1n(CC1CCCCC1)cc2C(=O)N1CCN(C(C1)C)C	0.01	0.0
Compound_854	CCCC(C(=O)c1cccs1)N1CCCC1	0.16	0.0
Compound_855	CCCNC(Cc1ccccc1)C	0.48	0.0
Compound_856	CCCCCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.62	1.0
Compound_857	CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1c(Br)ccc2	0.8	1.0
Compound_858	COc1cccc2c1n(CCN1CCOCC1)cc2C(=O)NC1C2(C)CCC(C1(C)C)C2	0.03	0.0
Compound_859	COc1cc(CCN(C(=O)C)C)c2c(c1)c1c(cc2)ccc(c1OC(=O)C)OC	0.28	0.0
Compound_860	CC(Cc1cccc2c1occ2)N	0.28	0.0
Compound_861	CCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C	0.66	1.0
Compound_862	COc1cc(Br)c(cc1CCNCc1ccccc1F)OC	0.19	0.0
Compound_863	Fc1cccc(c1)C(=O)C(N1CCCC1)C	0.04	0.0
Compound_864	CNC(Cc1cc(OC)c(cc1OC)Br)C	0.79	1.0
Compound_865	COc1cc(Br)c(cc1CN1CCNCC1)OC	0.02	0.0
Compound_866	COc1cc(I)c(cc1CCNCc1ccccc1OC)OC	0.06	0.0
Compound_867	COc1cc(Cl)c(cc1CCNCc1ccccc1O)OC	0.04	0.0
Compound_868	Cc1ccc(cc1)C(=O)C(N)C	0.33	0.0
Compound_869	FCCCCCn1nc(c2c1cccc2)C(=O)Nc1cccc2c1cccc2	0.06	0.0
Compound_870	ClCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.75	1.0
Compound_871	CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1C	0.21	0.0
Compound_872	CCCCCn1cc(c2c1cccc2)C(=O)C12CC3CC(C2)CC(C1)C3	0.67	1.0
Compound_873	CCCCCn1cc(c2c1cccc2)C(=O)Nc1cccc2c1nccc2	0.12	0.0
Compound_874	COc1ccc2c(c1)c(CCN(CC=C)CC=C)c[nH]2	0.03	0.0
Compound_875	CNC1Cc2c(C1)cccc2	0.1	0.0
Compound_876	CCN(CC(COC(=O)c1ccc(cc1)N(=O)=O)(C)C)CC	0.27	0.0
Compound_877	ClCCCCCn1cc(c2c1cccc2)C(=O)Nc1cccc2c1cccc2	0.24	0.0
Compound_878	O=C(C1C(C1(C)C)(C)C)c1cn(c2c1cccc2)CCCC(F)(F)F	0.22	0.0
Compound_879	Fc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)Oc1cccc2c1nccc2	0.62	1.0
Compound_880	CCCCCc1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccccc1OC	0.76	1.0
Compound_881	CCCCCn1cc(cc1c1cccc(c1)F)C(=O)c1cccc2c1cccc2	0.54	1.0
Compound_882	CCCCCn1nc(c2c1cccc2)C(=O)Oc1cccc2c1nccc2	0.16	0.0
Compound_883	BrCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.58	1.0
Compound_884	CCC(C(=O)c1ccc(cc1)F)N1CCCC1	0.05	0.0
Compound_885	FCCCCCn1cc(c2c1cccc2)C(=O)NCc1ccccc1	0.1	0.0
Compound_886	CCC(CCn1ccc2c1cccc2)F	0.49	0.0
Compound_887	COc1ccc2c(c1)CN(CC2c1ccc(c(c1)Cl)Cl)C	0.39	0.0
Compound_888	O=C(c1cccc2c1cccc2)c1cn(c2c1cccc2)CCCC1CO1	0.49	0.0
Compound_889	CCCCCn1nc(c2c1cccc2)C(=O)Nc1cccc2c1nccc2	0.11	0.0
Compound_890	FCCCCCn1nc(c2c1cccc2)C(=O)Nc1cccc2c1nccc2	0.06	0.0
Compound_891	CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)C12CC3CC(C2)CC(C1)C3	0.02	0.0
Compound_892	CCCCCn1cc(c2c1cccc2)C(=O)OC	0.29	0.0
Compound_893	COC(=O)c1cn(c2c1cccc2)CC1CCCCC1	0.38	0.0
Compound_894	COc1ccc(c2c1cccc2)C(=O)c1cn(c2c1cccc2)CC1CCCCC1	0.51	1.0
Compound_895	C1CCC(NC1)C(c1ccccc1)c1ccccc1	0.03	0.0
Compound_896	COc1ccc2c(c1)[nH]c1c2CCNC1C	0.01	0.0
Compound_897	O=C(c1cn(c2c1cccc2)CC1CCOCC1)CC(C(=C)C)(C)C	0.27	0.0
Compound_898	CCNC(C(=O)c1ccc(cc1)C)CC	0.06	0.0
Compound_899	NCCc1cc(OC)c(c(c1)OC)OCC	0.13	0.0
Compound_900	COc1cc(I)c(cc1CCNCc1cccc2c1OCO2)OC	0.18	0.0
Compound_901	COc1ccccc1CNCCc1cc(OC)c(c(c1OC)C)C	0.02	0.0
Compound_902	CCCCCn1c(CC)c(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.48	0.0
Compound_903	CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)F	0.58	1.0
Compound_904	CCC(Cc1ccc(cc1)Cl)N	0.55	1.0
Compound_905	Clc1ccc(cc1)Cn1c(c2ccccc2)c(c(c1C)C(=O)c1ccccc1)N	0.27	0.0
Compound_906	ClCCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C	0.77	1.0
Compound_907	CCCCC(C(=O)OCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.59	1.0
Compound_908	OCC(OCC(OCC(OCC(O)C)C)C)C	0.5	0.0
Compound_909	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.59	1.0
Compound_910	OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C	0.5	0.0
Compound_911	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.59	1.0
Compound_912	OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C	0.5	0.0
Compound_913	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.59	1.0
Compound_914	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.59	1.0
Compound_915	OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C	0.5	0.0
Compound_916	OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C	0.5	0.0
Compound_917	OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C	0.5	0.0
Compound_918	OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C)C	0.5	0.0
Compound_919	OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C)C)C	0.5	0.0
Compound_920	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C	0.61	1.0
Compound_921	C=CC(=O)OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C	0.59	1.0
Compound_922	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C	0.61	1.0
Compound_923	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.59	1.0
Compound_924	CCCCC(C(=O)OCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.59	1.0
Compound_925	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C	0.61	1.0
Compound_926	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C	0.61	1.0
Compound_927	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCO	0.9	1.0
Compound_928	CCCCCCCCCCCC(=O)OCCOCCOCCO	0.96	1.0
Compound_929	CCCCCCCCCCCC(=O)OCCOCCOCCOCCO	0.96	1.0
Compound_930	CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCO	0.96	1.0
Compound_931	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCO	0.9	1.0
Compound_932	CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCO	0.96	1.0
Compound_933	OCCCCOCCCCOCCCCO	0.97	1.0
Compound_934	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.97	1.0
Compound_935	OCCCCOCCCCOCCCCOCCCCO	0.97	1.0
Compound_936	OCCCCOCCCCOCCCCOCCCCOCCCCO	0.97	1.0
Compound_937	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.97	1.0
Compound_938	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.97	1.0
Compound_939	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.97	1.0
Compound_940	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.97	1.0
Compound_941	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.97	1.0
Compound_942	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.97	1.0
Compound_943	CC1=CCC2C(C1)c1c(O)cc(cc1OC2(C)C)C(c1ccccc1)(C)C	0.73	1.0
Compound_944	CN(C(=O)n1nnnc1Cc1ccc(cc1)c1ccccc1)C	0.13	0.0
Compound_945	C#CCCCCCCCCCNC(=O)Oc1cccc(c1)c1cccc(c1)C(=O)N	0.09	0.0
Compound_946	CCc1ccccc1n1c(C)nc2c(c1=O)cccc2	0.06	0.0
Compound_947	CNC(C(c1ccccc1)Cl)C	0.87	1.0
Compound_948	CCNC(C(=O)c1ccccc1CC)C	0.02	0.0
Compound_949	CNC(Cc1ccc(cc1)Cl)C	0.29	0.0
Compound_950	CNC(Cc1ccccc1OC)C	0.35	0.0
Compound_951	CC(=O)Oc1cccc2c1c(CCN(C(C)C)C(C)C)c[nH]2	0.01	0.0
Compound_952	CCCC(C(=O)c1ccc(cc1)F)NC	0.03	0.0
Compound_953	CCCC(C(=O)c1ccc(cc1)C)NC	0.06	0.0
Compound_954	COc1ccccc1CC(=O)c1cn(c2c1cccc2)CC1CCCCN1C	0.02	0.0
Compound_955	CCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.83	1.0
Compound_956	CCCc1cc(OC)c(cc1OC)CCN	0.08	0.0
Compound_957	ClCCCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.56	1.0
Compound_958	CCCC(Cn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C)Cl	0.81	1.0
Compound_959	CC(=O)Nc1ccccc1C(=O)O	0.07	0.0
Compound_960	NCCc1cc(OC)c(cc1OC)C(C)C	0.12	0.0
Compound_961	COc1cc(C(C)C)c(cc1CCNCc1ccccc1OC)OC	0.06	0.0
Compound_962	CC(NC)Cc1cccc2c1OCO2	0.61	1.0
Compound_963	CCCCCc1cc(O)c2c(c1)OC(C1C2CC(=CC1)C)(C)C	0.23	0.0
Compound_964	COc1ccc(cc1)C(=O)N1CCCC1=O	0.02	0.0
Compound_965	COc1cc2OCOc2cc1CC(N)C	0.5	0.0
Compound_966	CCCCc1cc(OC)c(cc1OC)CC(N)C	0.14	0.0
Compound_967	COc1ccc(cc1)C=Cc1cc(OC)cc(=O)o1	0.87	1.0
Compound_968	NCCc1c[nH]c2c1cccc2F	0.19	0.0
Compound_969	CCCCCCC(C(=O)c1ccc(cc1)OC)N1CCCC1	0.04	0.0
Compound_970	CCCCCn1c2ccccc2nc1C(=O)c1cccc2c1cccc2	0.26	0.0
Compound_971	CCCC(C(=O)c1ccccc1)NCCC	0.05	0.0
Compound_972	C=CCc1cc(OC)c2c(c1)OCO2	0.87	1.0
Compound_973	CCCCCn1cc(c2c1cccc2)C(=O)Oc1cccc2c1cccc2	0.54	1.0
Compound_974	CCC(Cc1ccccc1)NC	0.02	0.0
Compound_975	COc1cc(CCNCC(Cn2ccc3c2cccc3)O)ccc1OC	0.01	0.0
Compound_976	CC(=O)Nc1cccc(c1)OCCCNc1ncnc2c1c(cs2)c1ccccc1	0.1	0.0
Compound_977	CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCCCC1	0.46	0.0
Compound_978	CCCCCCCc1ccc(cc1)C(=O)NC(=S)Nc1noc(c1)C	0.26	0.0
Compound_979	CCOC(=O)C(=C(Nc1ccc(cc1)F)C)C1CC(=O)N(C1=O)c1ccccc1	0.03	0.0
Compound_980	Clc1ccc(cc1)C=NN=C(C(=O)c1ccccc1)c1ccccc1	0.53	1.0
Compound_981	N#Cc1c(N)nc2c(c1c1ccccc1)cc(cc2)Cl	0.82	1.0
Compound_982	CC=C(C(=O)Nc1ccccc1CC1N(C)CCc2c1cccc2)C	0.07	0.0
Compound_983	OCc1c(CSCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)cnc(c1O)C	0.05	0.0
Compound_984	OC1=NC(Nc2c1cc(cc2)N(=O)=O)C1CCC=CC1	0.06	0.0
Compound_985	Oc1ccc(cc1)CCc1n[nH]c(=S)n1C(c1ccccc1)C	0.2	0.0
Compound_986	O=C(Nc1cccc2c1nccc2)CN1CCOCC1	0.02	0.0
Compound_987	Clc1ccc(cc1)SCCN=Cc1ccc(s1)N(=O)=O	0.8	1.0
Compound_988	CC(NC(=S)NCCc1ccncc1)C	0.06	0.0
Compound_989	Cc1ccc(cc1)SCCNC(=O)c1cccnc1Oc1ccccc1	0.04	0.0
Compound_990	Clc1ccc(c(c1)NC(=O)c1ccccc1CN1CCOCC1)O	0.11	0.0
Compound_991	CCCCCC(=O)c1cc(C)c(cc1NC(=O)C)C	0.42	0.0
Compound_992	Cc1ccc(c(c1)C)n1nnnc1c1ccc(c(c1)Cl)Cl	0.95	1.0
Compound_993	COc1cccc(c1)c1nnc(o1)c1ccccc1NS(=O)(=O)c1ccc(cc1)Cl	0.65	1.0
Compound_994	O=C(Nc1ccc2c(c1)COCO2)CCC(N1C(=O)c2c(C1=O)cccc2)C(=O)O	0.02	0.0
Compound_995	O=C(Nc1cccnc1Oc1ccc(cc1F)F)C=Cc1ccccc1	0.61	1.0
Compound_996	O=C(Nc1ccc(cc1)Cl)NNC(=O)c1ncc(cc1Cl)C(F)(F)F	0.14	0.0
Compound_997	O=C(c1cccnc1Oc1ccccc1)ON1C(=O)C2C(C1=O)C1OC2C=C1	0.15	0.0
Compound_998	CCOC(=O)C(C(=O)C(F)(F)F)C(c1ccco1)NC(=S)N	0.22	0.0
Compound_999	COc1c(OC)ccc(c1Cl)CSCC(=O)c1ccc(c(c1)Cl)Cl	0.97	1.0
Compound_1000	CCCc1c(cc(cc1N(=O)=O)C(=O)O)N(=O)=O	0.25	0.0