Index	SMILES	Probability	Label
Compound_1	Nc1ccc(cc1)S(=O)(=O)Nc1cncc(n1)Cl	0.16	0.0
Compound_2	Nc1ccc(cc1)S(=O)(=O)Nc1ccc(nn1)Cl	0.14	0.0
Compound_3	NC(=N)NS(=O)(=O)c1ccc(cc1)N	0.3	0.0
Compound_4	Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C	0.02	0.0
Compound_5	Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C	0.22	0.0
Compound_6	Nc1ccc(cc1)S(=O)(=O)Nc1oc(c(n1)C)C	0.18	0.0
Compound_7	Nc1ccc(cc1)S(=O)(=O)N	0.41	0.0
Compound_8	CCN([C@H](Cc1ccc(cc1)OC)C)CCCC(=O)N1CCC(CC1)C(=O)N(C)C	0.07	0.0
Compound_9	CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O	0.06	0.0
Compound_10	CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(c(c3C)O)c(O)c(c3c2nc2n3ccc(c2)C)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C	0.02	0.0
Compound_11	Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c(O)nc2c1cccc2	0.05	0.0
Compound_12	OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2C1(C)CCC(C2)O	0.13	0.0
Compound_13	CN(CCC=C1c2ccccc2CCc2c1cccc2)C	0.0	0.0
Compound_14	Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2	0.05	0.0
Compound_15	Clc1ccc2c(c1)C(=NC(C(=O)N2)O)c1ccccc1Cl	0.0	0.0
Compound_16	CN1CCN(CC1)C1=Nc2ccccc2Nc2c1cc(s2)C	0.0	0.0
Compound_17	CN(CCCN1c2ccccc2CCc2c1cc(Cl)cc2)C	0.02	0.0
Compound_18	CC(=O)O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC(=O)C	0.09	0.0
Compound_19	CN1CCN2C(C1)c1ccccc1Cc1c2ncc(c1)O	0.04	0.0
Compound_20	CC(=O)O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O	0.09	0.0
Compound_21	CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C	0.17	0.0
Compound_22	COC(=O)[C@H]1[C@@H](O)CC2N(C1CC2)C	0.12	0.0
Compound_23	CCN(C(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC	0.11	0.0
Compound_24	Nc1nc(N)nc(n1)Cl	0.93	1.0
Compound_25	CSc1ccc(cc1C)OP(=S)(OC)OC	0.87	1.0
Compound_26	CCOCN(c1c(C)cccc1CC)C(=O)CCl	0.96	1.0
Compound_27	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2O)C)C1)C	0.06	0.0
Compound_28	CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl)C(=O)COC(=O)CC	0.18	0.0
Compound_29	COC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)Cl	0.82	1.0
Compound_30	CCCC1O[C@H]2[C@](O1)(C(=O)CO)[C@@]1([C@@H](C2)[C@@H]2CCC3=CC(=O)C=C[C@@]3([C@H]2[C@H](C1)O)C)C	0.64	1.0
Compound_31	CO/N=C(\c1csc(n1)N)/C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C	0.03	0.0
Compound_32	CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1cccc2c1CCCC2	0.0	0.0
Compound_33	CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(n1)OC	0.24	0.0
Compound_34	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl	0.27	0.0
Compound_35	CCC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F)C(=O)CCl	0.08	0.0
Compound_36	OC(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl	0.04	0.0
Compound_37	CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1	0.78	1.0
Compound_38	OC[C@@]12[C@@H](C=C(C(=O)[C@H]1O)C)O[C@H]1[C@]3([C@]2(C)C[C@H]1O)CO3	0.71	1.0
Compound_39	CNc1nc(NC(C)C)nc(n1)SC	0.28	0.0
Compound_40	O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1C[C@@H]([C@]2(O)C(=O)C)C)C)C	0.41	0.0
Compound_41	CCOP(=S)(Oc1ccc(cc1Cl)Cl)OCC	0.89	1.0
Compound_42	CCNc1nc(NC(C(C)C)C)nc(n1)SC	0.69	1.0
Compound_43	CCCOC(=O)c1ccccc1C(=O)OCCC	0.3	0.0
Compound_44	CC[C@@H]([C@H]1O[C@@]2(C=C[C@@H]1C)O[C@@H]1C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)NC)[C@@H](C)/C=C/C=C\3/[C@]4([C@H](C(=O)O[C@H](C2)C1)C=C(C)[C@H]([C@H]4OC3)O)O)C	0.31	0.0
Compound_45	CC[C@@H]([C@H]1O[C@@]2(C=C[C@@H]1C)O[C@@H]1C/C=C(\C)/[C@@H](O[C@H]3C[C@H](OC)[C@H]([C@@H](O3)C)O[C@H]3C[C@H](OC)[C@@H]([C@@H](O3)C)NC(=O)C)[C@@H](C)/C=C/C=C\3/[C@]4([C@H](C(=O)O[C@H](C2)C1)C=C(C)[C@H]([C@H]4OC3)O)O)C	0.21	0.0
Compound_46	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C	0.74	1.0
Compound_47	CSc1ccc(cc1C)OP(=O)(OC)OC	0.83	1.0
Compound_48	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(F)(F)F	0.27	0.0
Compound_49	CC(CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@@H](C=C1C)O[C@H]1[C@@]3([C@]2(C)[C@H](O)[C@H]1O)CO3)C	0.42	0.0
Compound_50	COC1CC(OC2C(C)C=CC=C3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)CCC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C	0.22	0.0
Compound_51	O=CC[C@H]1C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)O)OC(=O)CC(C)C)OC)OC(=O)C)C	0.25	0.0
Compound_52	COC1CC(OC(C1OC)C)OC1CC(OC1C1(C)CCC(O1)C1(C)CCC2(O1)CC(O)C(C(O2)C(C1OC(O)(CC(=O)O)C(C(C1OC)OC)C)C)C)C1OC(C)(O)C(CC1C)C	0.26	0.0
Compound_53	CO[C@H]([C@@H]([C@H]1O[C@@]2(CC[C@@](O2)(C)[C@H]2CC[C@@](O2)(CC)[C@@H]2O[C@H](C[C@@H]2C)[C@H]2O[C@@](O)(CO)[C@@H](C[C@@H]2C)C)C[C@@H]([C@H]1C)O)C)[C@@H](C(=O)O)C	0.35	0.0
Compound_54	COc1c(N2C[C@@H]3[C@H](C2)CCCN3)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1	0.0	0.0
Compound_55	CC[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12	0.19	0.0
Compound_56	CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H]([C@H](C[C@@H]1C)C)[C@H](C(=O)O)CC)C)O)C	0.32	0.0
Compound_57	CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)[C@@H](C1)O)(C)C	0.29	0.0
Compound_58	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	0.65	1.0
Compound_59	CC(=O)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	0.01	0.0
Compound_60	CCN(CCOC(=O)c1ccc(cc1)N)CC	0.2	0.0
Compound_61	CC(CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@@H](C=C1C)O[C@H]1[C@]3([C@]2(C)[C@H](OC(=O)C)[C@H]1O)CO3)C	0.43	0.0
Compound_62	COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC	0.71	1.0
Compound_63	OC1CCCCCc2cc(O)cc(c2C(=O)OC(CCC1)C)O	0.98	1.0
Compound_64	OC(COc1cccc2c1cccc2)CNC(C)C	0.03	0.0
Compound_65	COCCc1ccc(cc1)OCC(CNC(C)C)O	0.0	0.0
Compound_66	Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1	0.05	0.0
Compound_67	Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C	0.03	0.0
Compound_68	COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)N	0.16	0.0
Compound_69	Nc1ccc(cc1)S(=O)(=O)Nc1nccs1	0.79	1.0
Compound_70	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)O)CC)COC1OC(C)C(C(C1OC)OC)O)C	0.22	0.0
Compound_71	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O	0.65	1.0
Compound_72	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@H]([C@]1(C)O)O)C)C)C)(C)O	0.11	0.0
Compound_73	COCCOCO/N=C/1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C	0.13	0.0
Compound_74	COc1ccc2c(c1)ccc(c2)C(C(=O)O)C	0.34	0.0
Compound_75	OC(=O)C(Oc1ccc(cc1)Cl)(C)C	0.48	0.0
Compound_76	CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.22	0.0
Compound_77	COc1ccc(c(c1)O)C(=O)c1ccccc1	0.96	1.0
Compound_78	CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F	0.0	0.0
Compound_79	Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1	0.09	0.0
Compound_80	CC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C	0.66	1.0
Compound_81	COc1cc(OC)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)C	0.29	0.0
Compound_82	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C	0.21	0.0
Compound_83	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1	0.2	0.0
Compound_84	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1	0.28	0.0
Compound_85	COCC(N(c1c(C)csc1C)C(=O)CCl)C	0.74	1.0
Compound_86	CCC(c1cc(cc(c1O)N(=O)=O)N(=O)=O)C	0.29	0.0
Compound_87	OC(=O)COc1ccc(cc1C)Cl	0.62	1.0
Compound_88	CCNc1nc(NCC)nc(n1)Cl	0.92	1.0
Compound_89	COCC(N(c1c(C)cccc1CC)C(=O)C(=O)O)C	0.88	1.0
Compound_90	OC(=O)COc1ccc(cc1Cl)Cl	0.55	1.0
Compound_91	COCC(N(c1c(C)cccc1CC)C(=O)CCl)C	0.94	1.0
Compound_92	OC(=O)C(Oc1ccc(cc1Cl)Cl)C	0.87	1.0
Compound_93	O=C(N(C)C)Nc1ccc(c(c1)Cl)C	0.95	1.0
Compound_94	COCN(c1c(CC)cccc1CC)C(=O)CCl	0.98	1.0
Compound_95	COc1c(Cl)ccc(c1C(=O)O)Cl	0.81	1.0
Compound_96	CCNc1nc(Cl)nc(n1)NC(C)(C)C	0.57	1.0
Compound_97	CCNc1nc(N)nc(n1)Cl	0.86	1.0
Compound_98	CCNc1nc(NC(C)C)nc(n1)Cl	0.91	1.0
Compound_99	O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl	0.93	1.0
Compound_100	Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C	0.3	0.0
Compound_101	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C	0.14	0.0
Compound_102	Cn1cnc2c1c(=O)n(C)c(=O)n2C	0.12	0.0
Compound_103	CCNc1nc(SC)nc(n1)NC(C)(C)C	0.28	0.0
Compound_104	OC(=O)C(Oc1ccc(cc1C)Cl)C	0.83	1.0
Compound_105	OCc1cccc(c1)Oc1ccccc1	0.97	1.0
Compound_106	OC(=O)c1cccc(c1)Oc1ccccc1	0.89	1.0
Compound_107	Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O	0.29	0.0
Compound_108	Fc1ccc(c(c1)F)C(Cn1cncn1)(Cn1cncn1)O	0.26	0.0
Compound_109	CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C	0.15	0.0
Compound_110	Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C	0.19	0.0
Compound_111	COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F	0.11	0.0
Compound_112	O=C1C=CC2(C(=C1)C(=C)CC1C2CCC2(C1CCC2=O)C)C	0.24	0.0
Compound_113	CCNc1nc(NC(CC)C)nc(n1)Cl	0.53	1.0
Compound_114	FC(c1ccc(cc1)O)(F)F	0.83	1.0
Compound_115	COc1ccc(cc1OC)CCN(CCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N)C	0.03	0.0
Compound_116	OC(COc1ccc(cc1)CC(=O)O)CNC(C)C	0.04	0.0
Compound_117	ClCC1OC(C(C1O)O)(CCl)OC1OC(CO)C(C(C1O)O)Cl	0.55	1.0
Compound_118	OC(=O)c1cc(Br)c(c(c1)Br)O	0.74	1.0
Compound_119	Nc1c(C)n(n(c1=O)c1ccccc1)C	0.81	1.0
Compound_120	O=CNc1c(C)n(n(c1=O)c1ccccc1)C	0.51	1.0
Compound_121	NCC1(CCCCC1)CC(=O)O	0.02	0.0
Compound_122	OC[C@H]1O[C@H](C([C@@H]1O)(F)F)n1ccc(nc1=O)N	0.34	0.0
Compound_123	Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N	0.04	0.0
Compound_124	OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F	0.71	1.0
Compound_125	OCC(=O)[C@@]1(O)CC[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)C	0.17	0.0
Compound_126	OC[C@H]1O[C@H](C([C@@H]1O)(F)F)n1ccc(=O)[nH]c1=O	0.19	0.0
Compound_127	Nc1nnc(c(n1)N)c1cccc(c1Cl)Cl	0.07	0.0
Compound_128	COc1ccc2c(c1)[nH]c1c2CCN2C1CC1C(C2)CC(C(C1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC	0.61	1.0
Compound_129	OC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.99	1.0
Compound_130	OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_131	OC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_132	OC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.99	1.0
Compound_133	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	0.99	1.0
Compound_134	OC(=O)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	0.99	1.0
Compound_135	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	0.99	1.0
Compound_136	OC(=O)C=C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.96	1.0
Compound_137	OC(=O)/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	0.96	1.0
Compound_138	COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(n1)C(F)(F)F	0.25	0.0
Compound_139	CC(Nc1nc(NC(C)C)nc(n1)Cl)C	0.91	1.0
Compound_140	O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O	0.68	1.0
Compound_141	CN[C@H]([C@@H](c1ccccc1)O)C	0.01	0.0
Compound_142	CCNc1nc(nc(n1)Cl)NC(C#N)(C)C	0.24	0.0
Compound_143	OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1	0.0	0.0
Compound_144	O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C	0.45	0.0
Compound_145	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C	0.13	0.0
Compound_146	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	0.04	0.0
Compound_147	COc1c(CC=C(CCC(=O)O)C)c(O)c2c(c1C)COC2=O	0.15	0.0
Compound_148	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	0.3	0.0
Compound_149	COC(=O)C1C(CC2N(C1CC2)C)OC(=O)c1ccccc1	0.04	0.0
Compound_150	Clc1cccc(c1)N1CCNCC1	0.05	0.0
Compound_151	CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)O	0.05	0.0
Compound_152	CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2	0.01	0.0
Compound_153	OCc1cc(ccc1O)C(CNC(C)(C)C)O	0.0	0.0
Compound_154	CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC	0.18	0.0
Compound_155	CCC(C(=O)OC1CC(O)C=C2C1C(CCC(CC(CC(=O)O)O)O)C(C=C2)C)C	0.23	0.0
Compound_156	CN(CC(CN1c2ccccc2CCc2c1cccc2)C)C	0.04	0.0
Compound_157	CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@]3([C@]1(CC2)C)CCC(=O)O3)C	0.78	1.0
Compound_158	N[C@H](Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F	0.02	0.0
Compound_159	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCOP(=O)(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)F	0.98	1.0
Compound_160	FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCOP(=O)(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)O)F	0.98	1.0
Compound_161	CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl	0.14	0.0
Compound_162	O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1	0.1	0.0
Compound_163	CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC	0.33	0.0
Compound_164	COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC	0.72	1.0
Compound_165	O=C1NCCN1Cc1ccc(nc1)Cl	0.1	0.0
Compound_166	CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N	0.23	0.0
Compound_167	OCC(OCn1cnc2c1[nH]c(N)nc2=O)COC(=O)[C@H](C(C)C)N	0.1	0.0
Compound_168	CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C	0.07	0.0
Compound_169	CN(CCC(c1ccccn1)c1ccccc1)C	0.0	0.0
Compound_170	NC(c1ccccc1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C	0.0	0.0
Compound_171	CC(CN(S(=O)(=O)c1ccc(cc1)N)CC(C(Cc1ccccc1)NC(=O)OC1COC2C1CCO2)O)C	0.04	0.0
Compound_172	CN(CCOC(c1ccccn1)(c1ccccc1)C)C	0.04	0.0
Compound_173	COc1ccc2c(c1OC)C(=O)OC2C1N(C)CCc2c1c(OC)c1c(c2)OCO1	0.17	0.0
Compound_174	CCCC(C(=O)OCC)NC(C(=O)N1C2CCCCC2CC1C(=O)O)C	0.02	0.0
Compound_175	CCNc1nc(NC(C)C)nc(n1)SC	0.69	1.0
Compound_176	CCOP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OCC	0.85	1.0
Compound_177	N#Cc1cc(Cl)c(c(c1)Cl)O	0.52	1.0
Compound_178	N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)Cl	0.03	0.0
Compound_179	OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C	0.03	0.0
Compound_180	ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl	0.79	1.0
Compound_181	CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1	0.0	0.0
Compound_182	NC(=O)CN1CCCC1=O	0.34	0.0
Compound_183	O=CC[C@H]1C[C@@H](C)[C@H](C=CC=CC[C@H](OC(=O)C[C@H]([C@@H]([C@H]1OC1OC(C)C(C(C1O)N(C)C)OC1CC(C)(O)C(C(O1)C)O)OC)O)C)OC1CCC(C(O1)C)N(C)C	0.07	0.0
Compound_184	CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F	0.0	0.0
Compound_185	Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)C	0.01	0.0
Compound_186	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C	0.03	0.0
Compound_187	Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(=O)=O	0.99	1.0
Compound_188	Cn1c2nccnc2c(=O)n(c1=O)C	0.06	0.0
Compound_189	Nc1nc(=O)n(cc1F)[C@@H]1CS[C@@H](O1)CO	0.03	0.0
Compound_190	CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1	0.76	1.0
Compound_191	CCOP(=S)(Oc1ccc(cc1)N(=O)=O)OCC	0.95	1.0
Compound_192	CCC(Nc1c(cc(c(c1N(=O)=O)C)C)N(=O)=O)CC	0.14	0.0
Compound_193	CCCOCCN(c1c(CC)cccc1CC)C(=O)CCl	0.89	1.0
Compound_194	C=CCOc1ccccc1OCC(CNC(C)C)O	0.01	0.0
Compound_195	OC[C@@H]1CC[C@@H](O1)n1cnc2c1[nH]cnc2=O	0.01	0.0
Compound_196	O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F	0.05	0.0
Compound_197	CC[C@@H](C(=O)O[C@H]1C[C@@H](C)C=C2[C@H]1[C@@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H](C=C2)C)C	0.88	1.0
Compound_198	OC1CCC(O)C(O)CC2(O)CC(O)C(C(O2)CC(C=CC=CC=CC=CCCC=CC=CC(C(C(C(OC(=O)CC(CC(C1)O)O)C)C)O)C)OC1OC(C)C(C(C1O)N)O)C(=O)O	0.03	0.0
Compound_199	CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C	0.09	0.0
Compound_200	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C	0.36	0.0