Index	SMILES	Probability	Label
Compound_1	CN(C(=O)N)C	0.3	0.0
Compound_2	O=C(NCc1ccccc1)NCCCCCCNC(=O)NCc1ccccc1	0.25	0.0
Compound_3	CCCCN(C(=O)N(CCCC)CCCC)CCCC	0.63	1.0
Compound_4	O=C(N(C)C)Nc1ccc(c(c1)NC(=O)N(C)C)C	0.51	1.0
Compound_5	CC(C(NC(=O)N)NC(=O)N)C	0.18	0.0
Compound_6	O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl	0.96	1.0
Compound_7	CCO[Si](OCC)(OCC)CCCNC(=O)N	0.27	0.0
Compound_8	O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl	0.99	1.0
Compound_9	NC(=O)N	0.02	0.0
Compound_10	NCCCCCCCCCCC(=O)O	0.01	0.0
Compound_11	OC(=O)CCCCCCCCCC(=O)O	0.87	1.0
Compound_12	CCCCCCCCCCC	1.0	1.0
Compound_13	CCCCCCCCCC(C=O)C	0.96	1.0
Compound_14	CCCCCCCCCCC=O	0.96	1.0
Compound_15	C=C[Si](O[Si](O[Si](C=C)(C)C)(O[Si](C=C)(C)C)O[Si](C=C)(C)C)(C)C	0.93	1.0
Compound_16	CCCCCCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.92	1.0
Compound_17	C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C	0.67	1.0
Compound_18	C[SiH](O[Si](C)(C)C)O[Si](C)(C)C	0.11	0.0
Compound_19	OC(=O)CCCCCCCCCCCC(=O)O	0.87	1.0
Compound_20	CCCCCCCCCCCCC	1.0	1.0
Compound_21	S=C(Nc1ccccc1)Nc1ccccc1	0.91	1.0
Compound_22	CCNC(=S)NCC	0.7	1.0
Compound_23	CCCCNC(=S)NCCCC	0.59	1.0
Compound_24	NC(=S)N	0.87	1.0
Compound_25	O=S1(=O)CCCC1	0.57	1.0
Compound_26	CCCCCCCCCCOC1CCS(=O)(=O)C1	0.61	1.0
Compound_27	O=S1(=O)CC=CC1	0.69	1.0
Compound_28	CN(C(=S)SSC(=S)N(C)C)C	0.93	1.0
Compound_29	S=C(N(Cc1ccccc1)Cc1ccccc1)SSC(=S)N(Cc1ccccc1)Cc1ccccc1	0.93	1.0
Compound_30	N#CSCSC#N	0.92	1.0
Compound_31	CCO[Si](OCC)(OCC)CCCSC#N	0.94	1.0
Compound_32	C[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(C)C)C	0.25	0.0
Compound_33	CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC	0.95	1.0
Compound_34	CCCCCCCCCCCCCC(=O)OC	0.95	1.0
Compound_35	CCCCCCCCCCCCCC(=O)OC(C)C	0.91	1.0
Compound_36	CC(CCCC(CCCC(C)C)C)CCCCC(CCCC(CCCC(C)C)C)C	0.96	1.0
Compound_37	CC(C(C(C(S)(C)C)(C)C)(C)C)C	0.98	1.0
Compound_38	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)CCC(C)C	0.42	0.0
Compound_39	C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.08	0.0
Compound_40	CCO[Si](=O)O	0.83	1.0
Compound_41	CCCO[Si](OCCC)(OCCC)OCCC	0.96	1.0
Compound_42	CCO[Si](OCC)(OCC)OCC	0.97	1.0
Compound_43	CC(=O)O[Si](OC(=O)C)(OC(=O)C)C	0.96	1.0
Compound_44	CC[Si](OC(=O)C)(OC(=O)C)OC(=O)C	0.82	1.0
Compound_45	C=C[Si](OC(=O)C)(OC(=O)C)OC(=O)C	0.84	1.0
Compound_46	C[Si](NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1	0.19	0.0
Compound_47	CC(O[Si](OC(=O)C)(OC(=O)C)C)C	0.96	1.0
Compound_48	CCC[Si](OC)(OC)OC	0.98	1.0
Compound_49	CCCCCCCC[Si](OC)(OC)OC	1.0	1.0
Compound_50	CO[Si](OC)(OC)C	0.95	1.0
Compound_51	CO[Si](CC(C)C)(OC)OC	0.95	1.0
Compound_52	CO[Si](CC(CC(C)(C)C)C)(OC)OC	0.9	1.0
Compound_53	CO[SiH](OC)OC	0.95	1.0
Compound_54	CCCCCCCC[Si](OCC)(OCC)OCC	1.0	1.0
Compound_55	CCO[Si](OCC)(OCC)C	0.92	1.0
Compound_56	CCO[Si](OCC)(OCC)CCCN=C=O	0.78	1.0
Compound_57	CCO[Si](CC(C)C)(OCC)OCC	0.98	1.0
Compound_58	CCO[Si](CC(CC(C)(C)C)C)(OCC)OCC	0.96	1.0
Compound_59	CCC[Si](Cl)(Cl)Cl	0.99	1.0
Compound_60	CCCCCCCC[Si](Cl)(Cl)Cl	1.0	1.0
Compound_61	C[Si](Cl)(Cl)Cl	0.98	1.0
Compound_62	CC[Si](Cl)(Cl)Cl	0.99	1.0
Compound_63	C=C[Si](Cl)(Cl)Cl	0.97	1.0
Compound_64	CC(C[Si](Cl)(Cl)Cl)C	0.99	1.0
Compound_65	CCCCCCCCCCCCCCCC[Si](OC)(OC)OC	1.0	1.0
Compound_66	CO[Si](C=C)(OC)OC	0.89	1.0
Compound_67	CCO[Si](OCC)(OCC)C=C	0.94	1.0
Compound_68	CO[SiH](OC)C	0.96	1.0
Compound_69	CO[Si](OC)(C)C	0.92	1.0
Compound_70	CO[Si](C(C)C)(CC(C)C)OC	0.96	1.0
Compound_71	CCO[Si](OCC)(C)C	0.91	1.0
Compound_72	C[SiH](Cl)Cl	0.98	1.0
Compound_73	C=C[Si](Cl)(Cl)C	0.92	1.0
Compound_74	C[Si](Cl)(Cl)C	0.99	1.0
Compound_75	C=C[Si](Cl)(C)C	0.96	1.0
Compound_76	C[SiH](Cl)C	0.99	1.0
Compound_77	O=C=NCCC[Si](OC)(OC)OC	0.51	1.0
Compound_78	ClCCC[Si](OCC)(OCC)OCC	0.97	1.0
Compound_79	ClCCC[Si](OC)(OC)C	0.92	1.0
Compound_80	C=C[Si](N[Si](C=C)(C)C)(C)C	0.73	1.0
Compound_81	O=c1c2cc3[nH]c4ccccc4c(=O)c3cc2[nH]c2c1cccc2	0.76	1.0
Compound_82	Clc1ccc2c(c1)c(=O)c1c([nH]2)cc2c(c1)[nH]c1c(c2=O)cc(cc1)Cl	0.95	1.0
Compound_83	C1CCCN1	0.57	1.0
Compound_84	C1CCN2C(=NCCC2)CC1	0.04	0.0
Compound_85	[O-]S(=O)(=O)CCC[n+]1ccccc1	0.57	1.0
Compound_86	Cc1ccncc1	0.97	1.0
Compound_87	C=Cc1ccncc1	0.96	1.0
Compound_88	c1ccc(cc1)CCCc1ccncc1	0.97	1.0
Compound_89	Cc1cccnc1	0.96	1.0
Compound_90	Cc1ccccn1	0.98	1.0
Compound_91	C=Cc1ccccn1	0.95	1.0
Compound_92	Clc1cccc(n1)C(Cl)(Cl)Cl	0.93	1.0
Compound_93	Clc1ccccn1	0.99	1.0
Compound_94	Clc1nc(Cl)c(cc1Cl)Cl	0.99	1.0
Compound_95	c1cccnc1	0.99	1.0
Compound_96	c1cc2ccc3c4c2c(c1)ccc4ccc3	1.0	1.0
Compound_97	Clc1ccc(c(c1)N(=O)=O)N=Nc1c(C)[nH]n2c1nc1ccccc1c2=O	0.05	0.0
Compound_98	CCC(=O)OCc1ccccc1	0.93	1.0
Compound_99	CCOC(=O)CC	0.91	1.0
Compound_100	COC(=O)CCS	0.9	1.0
Compound_101	CCCCOC(=O)CCS	0.97	1.0
Compound_102	SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)CC	0.62	1.0
Compound_103	SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS	0.62	1.0
Compound_104	OC(=O)CCS	0.24	0.0
Compound_105	OCC(COC(=O)C(CO)(C)C)(C)C	0.69	1.0
Compound_106	OCC(C(=O)O)(CO)C	0.41	0.0
Compound_107	CCOCCC(=O)OCC	0.96	1.0
Compound_108	CC(C(=O)O)CSP(=S)(OCC(C)C)OCC(C)C	0.24	0.0
Compound_109	CCOC(=O)CCSP(=S)(OC(C)C)OC(C)C	0.88	1.0
Compound_110	CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC	0.93	1.0
Compound_111	COC(=O)CCSCCC(=O)OC	0.84	1.0
Compound_112	CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC	0.93	1.0
Compound_113	OC(=O)CCSCCC(=O)O	0.26	0.0
Compound_114	COc1cc(C=O)ccc1OC(=O)C(C)C	0.76	1.0
Compound_115	O=C(C(C)C)OCCc1ccccc1	0.92	1.0
Compound_116	CC(C(=O)OCCOc1ccccc1)C	0.96	1.0
Compound_117	CC(C(=O)OCC(C(C(C)C)OC(=O)C(C)C)(C)C)C	0.91	1.0
Compound_118	CC(C(=O)O)C	0.54	1.0
Compound_119	OC(=O)C(C)(C)C	0.71	1.0
Compound_120	CCC(=O)OC(=O)CC	0.8	1.0
Compound_121	CCC(=O)O	0.92	1.0
Compound_122	CCC(OOC(=O)C(C)(C)C)(C)C	0.88	1.0
Compound_123	CO[Si](CCC#N)(OC)OC	0.88	1.0
Compound_124	N#CCC[Si](Cl)(Cl)Cl	0.96	1.0
Compound_125	N#CCCN(C)C	0.3	0.0
Compound_126	N#CC(O)(C)C	0.91	1.0
Compound_127	N#CC(N=NC(C#N)(C)C)(C)C	0.79	1.0
Compound_128	CCC#N	0.97	1.0
Compound_129	CCCCC(C(=O)OC1CC(C)(C)N(C(C1)(C)C)C)(C(=O)OC1CC(C)(C)N(C(C1)(C)C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.03	0.0
Compound_130	COC(=O)CC(=O)OC	0.65	1.0
Compound_131	CCOC(=O)CC(=O)OCC	0.75	1.0
Compound_132	OC(=O)CC(=O)O	0.25	0.0
Compound_133	N#CC(=Cc1ccc(cc1C)N(CCOc1ccc(cc1)C1CCCCC1)CC)C#N	0.52	1.0
Compound_134	N#CCC#N	0.83	1.0
Compound_135	CC(N(=O)=O)C	0.93	1.0
Compound_136	COC(C)(C)C	0.97	1.0
Compound_137	CCOC(C)(C)C	0.95	1.0
Compound_138	CC(Br)C	1.0	1.0
Compound_139	CC(OC(C)C)C	0.93	1.0
Compound_140	CSC(SC)(C)C	0.99	1.0
Compound_141	CCOCCOC(C)(C)C	0.76	1.0
Compound_142	CCCN(=O)=O	0.88	1.0
Compound_143	ClCCCBr	0.71	1.0
Compound_144	CCCBr	0.98	1.0
Compound_145	ClCC(Cl)C	0.95	1.0
Compound_146	C=COCC(C)C	0.94	1.0
Compound_147	O=C(N(C)C)C(O)C	0.63	1.0
Compound_148	CSCCC=O	0.98	1.0
Compound_149	CCC=O	0.99	1.0
Compound_150	CCN1CCCCC1	0.34	0.0
Compound_151	C1CCCNC1	0.39	0.0
Compound_152	CN1CCN(CC1)C	0.16	0.0
Compound_153	N1CCNCC1	0.02	0.0
Compound_154	c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1	0.99	1.0
Compound_155	CCOP(OCC)OCC	0.98	1.0
Compound_156	CC(CCCCCCCCCCOP(Oc1ccccc1)OCCCCCCCCCCC(C)C)C	0.97	1.0
Compound_157	CCCCC(COP(Oc1ccccc1)Oc1ccccc1)CC	0.97	1.0
Compound_158	CCCCSP(SCCCC)SCCCC	0.93	1.0
Compound_159	CCCCSP(=O)(SCCCC)SCCCC	0.97	1.0
Compound_160	S=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1	0.99	1.0
Compound_161	CC(COP(=O)(OCC(C)C)OCC(C)C)C	0.96	1.0
Compound_162	CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC	0.98	1.0
Compound_163	O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1	0.99	1.0
Compound_164	COP(=O)(OC)OC	0.93	1.0
Compound_165	CCCCCCOP(=O)(OCCCCCC)OCCCCCC	0.99	1.0
Compound_166	CCOP(=O)(OCC)OCC	0.96	1.0
Compound_167	O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1	0.98	1.0
Compound_168	ClCCOP(=O)(OCC(COP(=O)(OCCCl)OCCCl)(CCl)CCl)OCCCl	0.91	1.0
Compound_169	CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C	0.98	1.0
Compound_170	COP(=O)(O)O	0.31	0.0
Compound_171	CCCCOP(=O)(Oc1ccccc1)OCCCC	0.97	1.0
Compound_172	CCCCOP(=O)(OCCCC)O	0.88	1.0
Compound_173	CCCCC(COP(=O)(OCC(CCCC)CC)O)CC	0.96	1.0
Compound_174	CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC	0.98	1.0
Compound_175	CCCCOP(=O)(OCCCC)OCCCC	0.98	1.0
Compound_176	CCCCCCCCP(=O)(O)O	0.67	1.0
Compound_177	CCCCCCCCCCCCCCCCCCP(=O)(OC)OC	0.98	1.0
Compound_178	COP(=O)(OC)C	0.94	1.0
Compound_179	OCNC(=O)CCP(=O)(OC)OC	0.32	0.0
Compound_180	OCCN(CP(=O)(OCC)OCC)CCO	0.85	1.0
Compound_181	OP(=O)(CN(CP(=O)(O)O)CP(=O)(O)O)O	0.24	0.0
Compound_182	OP(=O)(CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)O	0.35	0.0
Compound_183	OP(=O)(CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O)O	0.29	0.0
Compound_184	CC(P(=O)(O)O)(P(=O)(O)O)O	0.02	0.0
Compound_185	OCP(=O)(OCC)OCC	0.94	1.0
Compound_186	ClCCP(=O)(OCCCl)OCCCl	0.98	1.0
Compound_187	O=P(Oc1ccccc1)Oc1ccccc1	0.98	1.0
Compound_188	CCCCCCCCOP(=O)OCCCCCCCC	0.98	1.0
Compound_189	CCOP(OCC)O	0.94	1.0
Compound_190	CCCCOP(=O)OCCCC	0.97	1.0
Compound_191	c1ccc(cc1)P(c1ccccc1)c1ccccc1	0.99	1.0
Compound_192	O=P(c1ccccc1)(c1ccccc1)c1ccccc1	0.99	1.0
Compound_193	Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl	0.99	1.0
Compound_194	Cc1ccc(cc1)O	0.97	1.0
Compound_195	COc1ccc(cc1)O	0.95	1.0
Compound_196	CCc1ccc(cc1)O	0.99	1.0
Compound_197	Nc1ccc(cc1)O	0.98	1.0
Compound_198	COc1cc(ccc1N=Nc1ccc(cc1)O)N=Nc1ccc(cc1)N(=O)=O	0.97	1.0
Compound_199	Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O	0.97	1.0
Compound_200	Cc1cc(Cc2cc(C)c(c(c2)C)O)cc(c1O)C	0.99	1.0
Compound_201	CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C	1.0	1.0
Compound_202	Oc1ccc(cc1C)C1(CCCCC1)c1ccc(c(c1)C)O	0.98	1.0
Compound_203	FC(C(C(F)(F)F)(c1ccc(cc1)O)c1ccc(cc1)O)(F)F	0.99	1.0
Compound_204	CC(c1ccc(cc1)O)(c1ccc(cc1)O)c1ccc(cc1)O	0.99	1.0
Compound_205	CC(c1cc(c(cc1C)O)C(C)(C)C)CC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C	0.99	1.0
Compound_206	CC(c1cc(C)c(c(c1)C)O)(c1cc(C)c(c(c1)C)O)C	1.0	1.0
Compound_207	CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C	0.99	1.0
Compound_208	C=CCc1cc(ccc1O)C(c1ccc(c(c1)CC=C)O)(C)C	0.99	1.0
Compound_209	CC(c1ccc(cc1)O)(c1ccc(cc1)O)C	1.0	1.0
Compound_210	Oc1ccc(cc1)C(c1ccccc1)(C)C	1.0	1.0
Compound_211	CCC(c1ccc(cc1)O)(C)C	0.99	1.0
Compound_212	CC(c1ccc(cc1)O)(CC(C)(C)C)C	0.99	1.0
Compound_213	Cc1cccc(c1)O	0.95	1.0
Compound_214	Nc1cccc(c1)O	0.96	1.0
Compound_215	CCCCCCCCSCc1cc(CSCCCCCCCC)c(c(c1)C)O	0.84	1.0
Compound_216	CCCc1ccc(c(c1)OC)O	0.93	1.0
Compound_217	CCCCC(COCC(COc1ccc(c(c1)O)c1nc(nc(n1)c1ccc(cc1C)C)c1ccc(cc1C)C)O)CC	0.09	0.0
Compound_218	Cc1cccc(c1O)C	0.98	1.0
Compound_219	CCCCCCCCCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.65	1.0
Compound_220	Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.99	1.0
Compound_221	CC(c1cccc(c1O)C(C)(C)C)(C)C	0.99	1.0
Compound_222	CCCCCCCCCCCCCCC(c1cc(C)cc(c1O)C)C	0.34	0.0
Compound_223	Cc1ccc(c(c1)C)O	0.99	1.0
Compound_224	Clc1ccc(c(c1)Cl)O	0.89	1.0
Compound_225	CCC(c1ccc(c(c1)C(CC)(C)C)O)(C)C	0.98	1.0
Compound_226	CC(c1cc(ccc1OP(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	0.99	1.0
Compound_227	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	1.0	1.0
Compound_228	Cc1cc(C)c(c(c1)C)O	0.98	1.0
Compound_229	Brc1cc(Br)c(c(c1)Br)O	0.99	1.0
Compound_230	Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O	0.99	1.0
Compound_231	CCCCCCCCCc1cc(C)cc(c1O)Cc1cc(C)cc(c1O)CCCCCCCCC	0.45	0.0
Compound_232	Cc1cc(C)c(c(c1)C(c1cc(C)cc(c1O)C)C(C)C)O	0.99	1.0
Compound_233	Clc1ccc2c(c1)nn(n2)c1cc(C)cc(c1O)C(C)(C)C	0.98	1.0
Compound_234	Oc1c(cc(cc1C(c1ccccc1)(C)C)C(CC(C)(C)C)(C)C)n1nc2c(n1)cccc2	0.89	1.0
Compound_235	Cc1ccc(c(c1)n1nc2c(n1)cccc2)O	0.13	0.0
Compound_236	Oc1c(cc(cc1C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)n1nc2c(n1)cccc2	0.93	1.0
Compound_237	CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C	0.97	1.0
Compound_238	Oc1ccc(cc1n1nc2c(n1)cccc2)C(CC(C)(C)C)(C)C	0.95	1.0
Compound_239	Cc1ccc(c(c1)C(C)(C)C)O	1.0	1.0
Compound_240	Cc1cc(C)c(c(c1)C(C)(C)C)O	1.0	1.0
Compound_241	O=C1OC(=O)c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)C(=O)OC1=O	0.77	1.0
Compound_242	CCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCC	0.77	1.0
Compound_243	CCCCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCCCC	0.77	1.0
Compound_244	O=C(OC1CCC(CC1)C(C)(C)C)OOC(=O)OC1CCC(CC1)C(C)(C)C	0.7	1.0
Compound_245	CCCCC(COC(=O)OOC(=O)OCC(CCCC)CC)CC	0.72	1.0
Compound_246	CCC(OC(=O)OOC(=O)OC(CC)C)C	0.71	1.0
Compound_247	CC(OC(=O)OOC(=O)OC(C)C)C	0.75	1.0
Compound_248	CC(CC(C)(C)C)CC(=O)OOC(=O)CC(CC(C)(C)C)C	0.4	0.0
Compound_249	CC(C(=O)OOC(=O)C(C)C)C	0.66	1.0
Compound_250	Clc1ccc(c(c1)Cl)C(=O)OOC(=O)c1ccc(cc1Cl)Cl	0.67	1.0
Compound_251	CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC	0.62	1.0
Compound_252	CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC	0.62	1.0
Compound_253	CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C	0.97	1.0
Compound_254	CCC(OOC(CC)(C)C)(C)C	0.98	1.0
Compound_255	CC(OOC(C)(C)C)(C)C	0.94	1.0
Compound_256	CC(c1ccccc1)(OOC(C)(C)C)C	0.95	1.0
Compound_257	CCC(OOC1(CCCCC1)OOC(CC)(C)C)(C)C	0.79	1.0
Compound_258	CC(OOC1(CCCCC1)OOC(C)(C)C)(C)C	0.75	1.0
Compound_259	CC1CC(C)(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C	0.63	1.0
Compound_260	CC(C#CC(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C	0.93	1.0
Compound_261	CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C	0.87	1.0
Compound_262	C[Si](O[Si](O[Si](C)(C)C)(C)C)(O[Si](O[Si](C)(C)C)(C)C)C	0.32	0.0
Compound_263	CCCCC(=O)OCC	0.95	1.0
Compound_264	COC(=O)C(CCC(=O)N(C)C)C	0.56	1.0
Compound_265	CC(=O)CCC(=O)O	0.24	0.0
Compound_266	CCCC(C(=O)OCC)C	0.89	1.0
Compound_267	CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC	0.6	1.0
Compound_268	CCCCC(=O)O	0.57	1.0
Compound_269	COC(CC(N=NC(CC(OC)(C)C)(C#N)C)(C#N)C)(C)C	0.27	0.0
Compound_270	CC(CC(N=NC(C#N)(CC(C)C)C)(C#N)C)C	0.72	1.0
Compound_271	COC(=O)CCCC(=O)OC	0.31	0.0
Compound_272	N#CCCC(C#N)(CBr)Br	0.86	1.0
Compound_273	O=CCCCC=O	0.76	1.0
Compound_274	CCCCC=O	0.97	1.0
Compound_275	CCCCCCCCCCCCCCC	1.0	1.0
Compound_276	CCCCCCCCCCCCCCC1OC1	0.97	1.0
Compound_277	CC1CO1	0.98	1.0
Compound_278	CCCCCCCCCCCCC1CO1	0.97	1.0
Compound_279	CCCCCCCCCCC1OC1	0.97	1.0
Compound_280	CC(c1ccc(cc1)OCC1OC1)(C)C	0.91	1.0
Compound_281	CO[Si](CCCOCC1CO1)(OC)OC	0.91	1.0
Compound_282	CCO[Si](OCC)(OCC)CCCOCC1CO1	0.95	1.0
Compound_283	CCO[Si](OCC)(CCCOCC1CO1)C	0.95	1.0
Compound_284	Cc1ccccc1OCC1CO1	0.84	1.0
Compound_285	C(CCOCC1OC1)CCCOCC1OC1	0.62	1.0
Compound_286	O(CC1OC1)CC1CCC(CC1)COCC1OC1	0.66	1.0
Compound_287	C(COCC1OC1)CCOCC1OC1	0.62	1.0
Compound_288	O1CC1COc1cccc(c1)OCC1OC1	0.88	1.0
Compound_289	CC(c1ccc(cc1)OCC1OC1)(c1ccc(cc1)OCC1OC1)C	0.97	1.0
Compound_290	O=C1CCCCCCCCCCCCCCO1	0.96	1.0
Compound_291	O=C1CCCCCCCC=CCCCCCCO1	0.96	1.0
Compound_292	CCCCCCCC(=O)OC	0.95	1.0
Compound_293	CCCCCCCC(=O)OCC	0.95	1.0
Compound_294	CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(C)C	0.73	1.0
Compound_295	CCCCCCCC(=O)SCCC[Si](OCC)(OCC)OCC	0.95	1.0
Compound_296	CCCCCCCCOCCCCCCCC	0.96	1.0
Compound_297	CCCCCCCC(=O)N(C)C	0.95	1.0
Compound_298	O=CCC(CCCC(O)(C)C)C	0.29	0.0
Compound_299	CCCCCCCC=O	0.96	1.0
Compound_300	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC	0.95	1.0
Compound_301	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	0.95	1.0
Compound_302	CCCCCCCCCCCCCCCCCC(=O)OC	0.95	1.0
Compound_303	CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	0.95	1.0
Compound_304	CCCCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC	0.9	1.0
Compound_305	CCCCCCC(CCCCCCCCCCC(=O)OC)O	0.76	1.0
Compound_306	CCCCCCC(CCCCCCCCCCC(=O)O)O	0.15	0.0
Compound_307	CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC	0.49	0.0
Compound_308	CCCCCCCCCCCCCCCCCC(=O)O	0.89	1.0
Compound_309	CCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_310	CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC	0.86	1.0
Compound_311	CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C	0.34	0.0
Compound_312	CCCCCCC(CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)O)O	0.06	0.0
Compound_313	CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC	0.41	0.0
Compound_314	CCCCCCCCCCCCCCCCCC(=O)NCCO	0.74	1.0
Compound_315	CCCCCCC(CCCCCCCCCCC(=O)NCCO)O	0.35	0.0
Compound_316	CCCCCCCCCCCCCCCCCC(=O)N	0.79	1.0
Compound_317	CCCCCCCCC(=O)OCC	0.95	1.0
Compound_318	CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)CC	0.46	0.0
Compound_319	CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(C)C	0.73	1.0
Compound_320	CCCCC(COC(=O)CCCCCCCC(=O)OCC(CCCC)CC)CC	0.09	0.0
Compound_321	OC(=O)CCCCCCCC(=O)O	0.87	1.0
Compound_322	CCCCCCCCC	1.0	1.0
Compound_323	CCCCCCCCC=O	0.96	1.0
Compound_324	CCCCC(CON(=O)=O)CC	0.94	1.0
Compound_325	CC1(C)CCCC2(C1CCC1(C2CCO1)C)C	0.63	1.0
Compound_326	C1CCc2c(C1)cccc2	0.87	1.0
Compound_327	CN1(=O)CCOCC1	0.25	0.0
Compound_328	CN1CCOCC1	0.3	0.0
Compound_329	CCN1CCOCC1	0.53	1.0
Compound_330	O1CCN(CC1)SSN1CCOCC1	0.59	1.0
Compound_331	O(CCN1CCOCC1)CCN1CCOCC1	0.04	0.0
Compound_332	C1CNCCO1	0.33	0.0
Compound_333	O=C(c1ccccc1)c1ccccc1	0.21	0.0
Compound_334	Cc1cc(C)c(c(c1)C)C(=O)P(=O)(C(=O)c1c(C)cc(cc1C)C)c1ccccc1	0.95	1.0
Compound_335	CCCCCCCCOc1ccc(c(c1)O)C(=O)c1ccccc1	0.96	1.0
Compound_336	O=C(c1ccccc1)c1ccc(cc1)c1ccccc1	0.76	1.0
Compound_337	Cc1cc(C)c(c(c1)C)C(=O)P(=O)(c1ccccc1)c1ccccc1	0.97	1.0
Compound_338	Cc1ccc(cc1)C(=O)c1ccccc1	0.75	1.0
Compound_339	COc1ccc(c(c1)O)C(=O)c1ccccc1	0.99	1.0
Compound_340	Oc1ccc(c(c1)O)C(=O)c1ccccc1	1.0	1.0
Compound_341	CO	0.85	1.0
Compound_342	CS	0.92	1.0
Compound_343	CS(=O)(=O)Cl	0.97	1.0
Compound_344	FC(S(=O)(=O)O)(F)F	0.96	1.0
Compound_345	CS(=O)(=O)O	0.24	0.0
Compound_346	NC(=N)S(=O)O	0.18	0.0
Compound_347	COC(OC)OC	0.95	1.0
Compound_348	ClC(Cl)Cl	0.97	1.0
Compound_349	ClC(Cl)(Cl)Cl	0.98	1.0
Compound_350	CN(=O)=O	0.95	1.0
Compound_351	CI	0.96	1.0
Compound_352	COCOC	0.99	1.0
Compound_353	ClCCl	1.0	1.0
Compound_354	BrCBr	0.9	1.0
Compound_355	CBr	0.99	1.0
Compound_356	CSC	0.77	1.0
Compound_357	CS(=O)(=O)C	0.92	1.0
Compound_358	CS(=O)C	0.94	1.0
Compound_359	CNC	0.43	0.0
Compound_360	CN(C)C	0.05	0.0
Compound_361	CN	0.93	1.0
Compound_362	c1ccc2c(c1)cncc2	1.0	1.0
Compound_363	CCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C	0.68	1.0
Compound_364	OCN1C(=O)N(C2C1N(CO)C(=O)N2CO)CO	0.01	0.0
Compound_365	O=C1NC2C(N1)NC(=O)N2	0.01	0.0
Compound_366	OOC(c1ccccc1)(C)C	0.86	1.0
Compound_367	CCC(OO)(C)C	0.91	1.0
Compound_368	OOC(C)(C)C	0.9	1.0
Compound_369	C#N	0.91	1.0
Compound_370	NC(=O)NN=Cc1ccc(o1)N(=O)=O	0.29	0.0
Compound_371	CCCCCC(=O)OC	0.96	1.0
Compound_372	CCCCCCOC(=O)CCCCC	0.96	1.0
Compound_373	CCCCCC(=O)OCC	0.95	1.0
Compound_374	OC(=O)CCCCCNS(=O)(=O)c1ccc(cc1)C	0.04	0.0
Compound_375	CC(CCCCCC(=O)NCCCCCC(=O)O)C	0.05	0.0
Compound_376	OC(=O)CCCCCNc1nc(NCCCCCC(=O)O)nc(n1)NCCCCCC(=O)O	0.01	0.0
Compound_377	O=C(CC(CC(C)(C)C)C)OCCC(CC(C)(C)C)C	0.89	1.0
Compound_378	CCCCC(COC(=O)CC(CC(C)(C)C)C)CC	0.89	1.0
Compound_379	CCC(COC(=O)CC(CC(C)(C)C)C)(COC(=O)CC(CC(C)(C)C)C)COC(=O)CC(CC(C)(C)C)C	0.59	1.0
Compound_380	CC(CC(C)(C)C)CC(=O)O	0.22	0.0
Compound_381	CCCCCC(=O)OCC=C	0.98	1.0
Compound_382	CCCCC(C(=O)OCC(COC(=O)C(CCCC)CC)(COC(=O)C(CCCC)CC)COC(=O)C(CCCC)CC)CC	0.56	1.0
Compound_383	CCCCC(C(=O)OC(COC(=O)C(CCCC)CC)COC(=O)C(CCCC)CC)CC	0.06	0.0
Compound_384	CCCCC(C(=O)OCC(COC(=O)C(CCCC)CC)(C)C)CC	0.61	1.0
Compound_385	CCCCC(C(=O)O)CC	0.96	1.0
Compound_386	CCCCCC(=O)O	0.69	1.0
Compound_387	O=C(CC(CC(C)(C)C)C)OOC(C)(C)C	0.33	0.0
Compound_388	CCCCC(C(=O)OOC(CCC(OOC(=O)C(CCCC)CC)(C)C)(C)C)CC	0.8	1.0
Compound_389	CCCCC(C(=O)OOC(CC)(C)C)CC	0.81	1.0
Compound_390	CCCCC(C(=O)OOC(C)(C)C)CC	0.78	1.0
Compound_391	CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC	0.83	1.0
Compound_392	COC(=O)CCCCC(=O)OC	0.44	0.0
Compound_393	CC(CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCC(C)C)C	0.69	1.0
Compound_394	NNC(=O)CCCCC(=O)NN	0.39	0.0
Compound_395	CCCCCCOC(=O)CCCCC(=O)OCCCCCC	0.86	1.0
Compound_396	CCCCOC(=O)CCCCC(=O)OCCCC	0.96	1.0
Compound_397	CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC	0.93	1.0
Compound_398	CC(COC(=O)CCCCC(=O)OCC(C)C)C	0.96	1.0
Compound_399	CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC	0.11	0.0
Compound_400	CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC	0.93	1.0
Compound_401	CCCCCCC(OC(=O)CCCCC(=O)OC(CCCCCC)C)C	0.67	1.0
Compound_402	OC(=O)CCCCC(=O)O	0.23	0.0
Compound_403	N#CCCCCC#N	0.93	1.0
Compound_404	CC(CN(C(=O)CCCCC(=O)N(CC(O)C)CC(O)C)CC(O)C)O	0.17	0.0
Compound_405	OCCN(C(=O)CCCCC(=O)N(CCO)CCO)CCO	0.12	0.0
Compound_406	CCOC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(C(F)(F)F)F)F	0.93	1.0
Compound_407	ClCCCCCCCl	0.92	1.0
Compound_408	CCCCCC	0.98	1.0
Compound_409	CCCCC(C=O)CC	0.96	1.0
Compound_410	CCCCCC=O	0.98	1.0
Compound_411	CCCCCCCCCCCCCCCC(=O)OC	0.95	1.0
Compound_412	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC	0.95	1.0
Compound_413	CCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC	0.9	1.0
Compound_414	CCCCCCCCCCCCCCCC(=O)OC(C)C	0.91	1.0
Compound_415	CCCCCCCCCCCCCCCC	1.0	1.0
Compound_416	CCCCCCCCCCCCCCCC(=O)NCCO	0.37	0.0
Compound_417	CCCCCCC(=O)OCC	0.95	1.0
Compound_418	CCCCCCC(=O)OCC=C	0.99	1.0
Compound_419	CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)CC	0.46	0.0
Compound_420	CCCCCCC(=O)O	0.86	1.0
Compound_421	CCCCCCC	0.99	1.0
Compound_422	CCCCCC(=Cc1ccccc1)C=O	0.69	1.0
Compound_423	CCCCCCC=O	0.95	1.0
Compound_424	NC(=N)NN(=O)=O	0.68	1.0
Compound_425	NC(=N)NC#N	0.12	0.0
Compound_426	N=C(Nc1ccccc1)Nc1ccccc1	0.12	0.0
Compound_427	CN(C(=N)N(C)C)C	0.69	1.0
Compound_428	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.01	0.0
Compound_429	OC(=O)CN(CC(=O)O)CC(=O)O	0.01	0.0
Compound_430	OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.01	0.0
Compound_431	OC(=O)CN(CP(=O)(O)O)CC(=O)O	0.06	0.0
Compound_432	NCC(=O)O	0.02	0.0
Compound_433	OCCC(C)C	0.87	1.0
Compound_434	C1CCCO1	0.98	1.0
Compound_435	c1ccco1	0.96	1.0
Compound_436	COC=O	0.88	1.0
Compound_437	CCOC=O	0.99	1.0
Compound_438	O=COC(C)(C)C	0.91	1.0
Compound_439	OC=O	0.76	1.0
Compound_440	C=CNC=O	0.82	1.0
Compound_441	O=CN(C)C	0.06	0.0
Compound_442	O=CN(C1CC(C)(C)NC(C1)(C)C)CCCCCCN(C1CC(C)(C)NC(C1)(C)C)C=O	0.16	0.0
Compound_443	NC=O	0.99	1.0
Compound_444	C=O	0.99	1.0
Compound_445	CCCCCCCCC(=O)O	0.83	1.0
Compound_446	CCCCCCCC(=O)O	0.91	1.0
Compound_447	CCCCCCCCCCCCCCCC(=O)O	0.79	1.0
Compound_448	COC=C	0.73	1.0
Compound_449	CCOC=C	0.99	1.0
Compound_450	ClC=C	0.99	1.0
Compound_451	FC(=C)F	0.98	1.0
Compound_452	ClC(=C)Cl	0.99	1.0
Compound_453	C=COCCOCCOC=C	0.97	1.0
Compound_454	ClC=C(Cl)Cl	0.98	1.0
Compound_455	ClC(=C(Cl)Cl)Cl	0.98	1.0
Compound_456	OC(C(=O)c1ccccc1)c1ccccc1	0.23	0.0
Compound_457	COC(C(=O)c1ccccc1)(c1ccccc1)OC	0.93	1.0
Compound_458	O=N(=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)N(=O)=O)C	0.98	1.0
Compound_459	CC(=O)N1CCOCC1	0.39	0.0
Compound_460	CCCOCCO	0.98	1.0
Compound_461	OCCOc1ccccc1	0.97	1.0
Compound_462	COCCO	0.99	1.0
Compound_463	OCCS	0.93	1.0
Compound_464	CCOCCOC(=O)C	0.99	1.0
Compound_465	OCCOCC	0.99	1.0
Compound_466	CCCCOCCOC(=O)C	0.94	1.0
Compound_467	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC	0.98	1.0
Compound_468	CCCCOCCO	1.0	1.0
Compound_469	NCCO	0.77	1.0
Compound_470	CCCCCCOCCOCCO	0.99	1.0
Compound_471	COCCOCCOCCO	0.98	1.0
Compound_472	OCCOCCOCCOCC	0.98	1.0
Compound_473	CCCCOCCOCCOCCO	0.99	1.0
Compound_474	OCCN(CCN(C)C)C	0.46	0.0
Compound_475	CCCCC(COCCO)CC	0.98	1.0
Compound_476	NCCNCCO	0.4	0.0
Compound_477	OCCSCCO	0.94	1.0
Compound_478	OCCS(=O)(=O)CCO	0.32	0.0
Compound_479	O=C(c1ccccc1)OCCOCCOC(=O)c1ccccc1	0.96	1.0
Compound_480	OCCOCCO	0.99	1.0
Compound_481	OCCNCCO	0.88	1.0
Compound_482	OCCOCCOCCOCCO	0.98	1.0
Compound_483	OCCOc1ccc(cc1)OCCO	0.96	1.0
Compound_484	O=C(c1ccccc1)OCCOCCOCCOC(=O)c1ccccc1	0.96	1.0
Compound_485	OCCOCCOCCO	0.98	1.0
Compound_486	OCCN(c1ccc(cc1)C)CCO	0.58	1.0
Compound_487	NCCCN(CCO)CCO	0.26	0.0
Compound_488	OCC(F)(F)F	0.89	1.0
Compound_489	CCCCCCCCN(CCO)CCO	0.93	1.0
Compound_490	OCCN(CCO)C	0.95	1.0
Compound_491	OCCN(C1CCCCC1)CCO	0.22	0.0
Compound_492	CCCCCCCCC=CCCCCCCCCN(CCO)CCO	0.95	1.0
Compound_493	CCCCCCCCSCCO	0.98	1.0
Compound_494	CNCCO	0.95	1.0
Compound_495	CCCCCCOCCO	0.98	1.0
Compound_496	OCCNCC	0.91	1.0
Compound_497	OCCN(C)C	0.68	1.0
Compound_498	OCCN(CC)CC	0.93	1.0
Compound_499	CCCCN(CCCC)CCO	0.87	1.0
Compound_500	OCCOCCOc1ccccc1	0.96	1.0
Compound_501	COCCOCCO	0.99	1.0
Compound_502	CCOCCOCCOC(=O)C	0.97	1.0
Compound_503	OCCOCCOCC	0.99	1.0
Compound_504	CCCCOCCOCCOC(=O)C	0.95	1.0
Compound_505	CCCCOCCOCCO	0.99	1.0
Compound_506	CCO	0.99	1.0
Compound_507	SCCOCCOCCS	0.99	1.0
Compound_508	CCS	0.98	1.0
Compound_509	NCCS(=O)(=O)O	0.03	0.0
Compound_510	CC(=O)OOC(C)(C)C	0.91	1.0
Compound_511	CC(=O)OO	0.48	0.0
Compound_512	OC(=O)C(=O)O	0.06	0.0
Compound_513	CCOc1ccccc1NC(=O)C(=O)Nc1ccccc1CC	0.15	0.0
Compound_514	O=CC=O	0.4	0.0
Compound_515	CCN(=O)=O	0.9	1.0
Compound_516	CCCl	0.99	1.0
Compound_517	COCCOCCOCC	0.96	1.0
Compound_518	COCCOC	0.96	1.0
Compound_519	CCOCCOCC	0.99	1.0
Compound_520	ClCCCl	0.97	1.0
Compound_521	BrCCBr	0.07	0.0
Compound_522	COCCOCCOC	0.94	1.0
Compound_523	CCOCCOCCOCC	0.99	1.0
Compound_524	ClCCOCCCl	0.87	1.0
Compound_525	CCOCC	0.96	1.0
Compound_526	CC(Cl)Cl	0.97	1.0
Compound_527	FC(C(Cl)(F)F)(Cl)Cl	0.86	1.0
Compound_528	ClCC(Cl)Cl	0.99	1.0
Compound_529	ClC(C(Cl)Cl)Cl	0.94	1.0
Compound_530	COC(OC)(OC)C	0.89	1.0
Compound_531	FC(C(Cl)(Cl)Cl)(F)F	0.77	1.0
Compound_532	CC(Cl)(Cl)Cl	0.97	1.0
Compound_533	CCOC(OCC)OCC	0.92	1.0
Compound_534	FCC(F)(F)F	0.84	1.0
Compound_535	ClC(C(Cl)(Cl)Cl)Cl	0.98	1.0
Compound_536	ClC(C(Cl)(Cl)Cl)(Cl)Cl	0.98	1.0
Compound_537	CSCC	0.95	1.0
Compound_538	CCN(CC)O	0.9	1.0
Compound_539	CCNCC	0.98	1.0
Compound_540	CCN(C)C	0.27	0.0
Compound_541	CCN(CC)CC	0.27	0.0
Compound_542	CN(CCOCCN(C)C)C	0.61	1.0
Compound_543	CCCCCCCCCCCCCCCCCCCC(=O)O	0.9	1.0
Compound_544	CCCCCCCCCCCC(=O)OC	0.95	1.0
Compound_545	CCCCCCCCCCCC(=O)OCCCCCCCCCC	0.95	1.0
Compound_546	CCCCCCCCCCCC(=O)OCCC(C)C	0.92	1.0
Compound_547	CCCCCCCCCCCC(=O)OCC(CCCC)CC	0.9	1.0
Compound_548	CCCCCCCCCCCC(=O)OCC(CO)O	0.58	1.0
Compound_549	CCCCCCCCCCCC(=O)OC(C)C	0.9	1.0
Compound_550	CCCCCCCCCCCC(=O)O	0.18	0.0
Compound_551	CCCCCCCCCCCC#N	0.93	1.0
Compound_552	OC(=O)CCCCCCCCCCC(=O)O	0.87	1.0
Compound_553	CCC(CCCC(CCCC(C)C)C)C	0.99	1.0
Compound_554	CCCCCCCCCCCCCl	0.98	1.0
Compound_555	CCCCCCCCCCCC(=O)N(CCO)CCO	0.84	1.0
Compound_556	CCCCCCCCCCCC=O	0.96	1.0
Compound_557	CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC	0.95	1.0
Compound_558	CCCCCCCCCCCCCCCCCCCCCC(=O)O	0.9	1.0
Compound_559	CCCCCCCCCCCCCCCCCCCCCC(=O)N	0.79	1.0
Compound_560	CCCCCCCCCC(SSC(CCCCCCCCC)(C)C)(C)C	0.9	1.0
Compound_561	CSSC	0.8	1.0
Compound_562	C=C[Si](O[Si](C=C)(C)C)(C)C	0.43	0.0
Compound_563	C[Si](O[Si](C)(C)C)(C)C	0.27	0.0
Compound_564	CCn1c2cc3oc4c(nc3cc2c2c1cccc2)c(Cl)c1c(c4Cl)nc2c(o1)cc1c(c2)c2ccccc2n1CC	0.26	0.0
Compound_565	CCCCCCCCCC(=O)OC	0.95	1.0
Compound_566	CCCCCCCCCC(=O)O	0.71	1.0
Compound_567	CC(CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C)C	0.66	1.0
Compound_568	CCCCOC(=O)CCCCCCCCC(=O)OCCCC	0.92	1.0
Compound_569	CCCCC(COC(=O)CCCCCCCCC(=O)OCC(CCCC)CC)CC	0.09	0.0
Compound_570	O=C(OC1CC(C)(C)NC(C1)(C)C)CCCCCCCCC(=O)OC1CC(C)(C)NC(C1)(C)C	0.02	0.0
Compound_571	OC(=O)CCCCCCCCC(=O)O	0.87	1.0
Compound_572	CCCCCCCCCC	1.0	1.0
Compound_573	CCCCCCCCCC(=O)N(C)C	0.95	1.0
Compound_574	CCCCCCCCC(C=O)C	0.96	1.0
Compound_575	CCCCCCCCCC=O	0.96	1.0
Compound_576	FC(CC[Si]1(C)O[Si](C)(CCC(F)(F)F)O[Si](O1)(C)CCC(F)(F)F)(F)F	0.6	1.0
Compound_577	C[Si]1(C)O[Si](C)(C)O[Si](O1)(C)C	0.65	1.0
Compound_578	C[SiH]1O[SiH](C)O[SiH](O[SiH](O1)C)C	0.79	1.0
Compound_579	c1ccc(cc1)[Si]1(O[Si](O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	0.92	1.0
Compound_580	C[Si]1(C)O[Si](C)(C)O[Si](O[Si](O1)(C)C)(C)C	0.94	1.0
Compound_581	CC(C1CCCC(C1)(C)C)OC(COC(=O)C1CC1)(C)C	0.81	1.0
Compound_582	C[SiH]1O[SiH](C)O[SiH](C)O[SiH](O[SiH](O1)C)C	0.79	1.0
Compound_583	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](O[Si](O1)(C)C)(C)C	0.94	1.0
Compound_584	CCCCCCCC1CCCC1=O	0.92	1.0
Compound_585	CCCCCC1C(CCC1=O)CC(=O)OC	0.88	1.0
Compound_586	CO[Si](C1CCCC1)(C1CCCC1)OC	0.9	1.0
Compound_587	C1CCCC1	0.95	1.0
Compound_588	CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C	0.96	1.0
Compound_589	C=CC1CCC=CC1	0.96	1.0
Compound_590	CC1=CCC(=C(C)C)CC1	0.13	0.0
Compound_591	C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C	0.94	1.0
Compound_592	CCC(C1CCCCC1=O)C	0.91	1.0
Compound_593	O=C1CCCCC1	0.96	1.0
Compound_594	OC1CCC(CC1)C(C1CCC(CC1)O)(C)C	0.62	1.0
Compound_595	CC(=O)OC1CCC(CC1)C(C)(C)C	0.37	0.0
Compound_596	OC1CCCC(C1)C1CC2CC1C(C2(C)C)C	0.17	0.0
Compound_597	CCC(C1CCCCC1OC(=O)C)(C)C	0.68	1.0
Compound_598	C#CC1(O)CCCCC1	0.34	0.0
Compound_599	OC1CCCCC1	0.88	1.0
Compound_600	C=CCOC(=O)CCC1CCCCC1	0.99	1.0
Compound_601	CC(CN1CCOCC1)(C=NCC1(C)CC(N=CC(CN2CCOCC2)(C)C)CC(C1)(C)C)C	0.05	0.0
Compound_602	NCC1(C)CC(N)CC(C1)(C)C	0.1	0.0
Compound_603	CC(C=NCC1(C)CC(N=CC(C)C)CC(C1)(C)C)C	0.5	0.0
Compound_604	N#CC1(C)CC(=O)CC(C1)(C)C	0.93	1.0
Compound_605	CC1CCCCC1	0.89	1.0
Compound_606	CO[Si](C1CCCCC1)(OC)C	0.89	1.0
Compound_607	CN(C1CCCCC1)C1CCCCC1	0.06	0.0
Compound_608	C1CCC(CC1)NC1CCCCC1	0.29	0.0
Compound_609	C1CCC(CC1)N=C=NC1CCCCC1	0.17	0.0
Compound_610	CCC(NC1CCC(CC1)CC1CCC(CC1)NC(CC)C)C	0.12	0.0
Compound_611	NC1CCC(CC1C)CC1CCC(C(C1)C)N	0.03	0.0
Compound_612	NC1CCC(CC1)CC1CCC(CC1)N	0.1	0.0
Compound_613	NC1CCCCC1	0.17	0.0
Compound_614	OC1CCCCCCCCCCC1	0.95	1.0
Compound_615	BrC1CCC(Br)C(Br)CCC(C(CCC1Br)Br)Br	1.0	1.0
Compound_616	CCOCOC1CCCCCCCCCCC1	0.99	1.0
Compound_617	C1CCCCCCCCCCC1	0.99	1.0
Compound_618	NC#N	0.97	1.0
Compound_619	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	0.08	0.0
Compound_620	OC(=O)CCCC(=O)O	0.07	0.0
Compound_621	CCCCC(COC(=O)OOC(CC)(C)C)CC	0.85	1.0
Compound_622	CCCCC(COC(=O)OOC(C)(C)C)CC	0.86	1.0
Compound_623	CC(OC(=O)OOC(C)(C)C)C	0.65	1.0
Compound_624	NNC(=O)NN	0.67	1.0
Compound_625	CCOC(=O)OC	0.95	1.0
Compound_626	COC(=O)OC	0.86	1.0
Compound_627	CCOC(=O)OCC	0.92	1.0
Compound_628	S=C=S	0.98	1.0
Compound_629	CCNC(=S)OC(C)C	0.82	1.0
Compound_630	CCCCN(C(=S)SCSC(=S)N(CCCC)CCCC)CCCC	0.96	1.0
Compound_631	S=C(N(Cc1ccccc1)Cc1ccccc1)SSCCCCCCSSC(=S)N(Cc1ccccc1)Cc1ccccc1	0.91	1.0
Compound_632	CC(C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C)C	0.06	0.0
Compound_633	CCCCC(C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(CCCC)CC)CC	0.07	0.0
Compound_634	NCCCCCCNC(=O)O	0.17	0.0
Compound_635	COC(=O)N	0.26	0.0
Compound_636	O=N(=O)c1ccc(c(c1)N(=O)=O)O	0.97	1.0
Compound_637	CCC=C	0.99	1.0
Compound_638	CCCC(=O)OCc1ccccc1	0.97	1.0
Compound_639	CCCCCOC(=O)CCC	0.96	1.0
Compound_640	CCCC(=O)OC	0.96	1.0
Compound_641	CCCCCCOC(=O)CCC	0.96	1.0
Compound_642	CCCC(=O)OCC	0.98	1.0
Compound_643	CCCCOC(=O)CCC	0.98	1.0
Compound_644	COC(=O)CC(=O)C	0.77	1.0
Compound_645	CCOC(=O)CC(=O)C	0.76	1.0
Compound_646	CC(=O)CC(=O)OCCOC(=O)C(=C)C	0.63	1.0
Compound_647	CC(=O)CC(=O)OC(C)(C)C	0.84	1.0
Compound_648	CCCC(=O)OCCC(C)C	0.89	1.0
Compound_649	CCOC(=O)CC(C)C	0.92	1.0
Compound_650	CC(CCOC(=O)CC(C)C)C	0.85	1.0
Compound_651	CC(CC(=O)O)C	0.76	1.0
Compound_652	CCCCOC(=O)CC(O)C	0.89	1.0
Compound_653	CCOC(=O)C(CC)C	0.93	1.0
Compound_654	CCC(C(=O)OC(C)C)C	0.9	1.0
Compound_655	CC(C(=O)O)CC	0.64	1.0
Compound_656	CCCC(=O)O	0.34	0.0
Compound_657	CCC(N=NC(C#N)(CC)C)(C#N)C	0.49	0.0
Compound_658	CCCC#N	0.94	1.0
Compound_659	CCCCOC(=O)C(SP(=S)(OCC(CCCC)CC)OCC(CCCC)CC)CC(=O)OCCCC	0.85	1.0
Compound_660	CCCCC(COC(=O)CCC(=O)OCC(CCCC)CC)CC	0.1	0.0
Compound_661	OC(=O)CCC(=O)O	0.05	0.0
Compound_662	CCC(C)C	0.97	1.0
Compound_663	CCCCN=C=O	0.49	0.0
Compound_664	CCCCCl	0.96	1.0
Compound_665	CC(CCOCCC(C)C)C	0.91	1.0
Compound_666	CCCCOCCCC	0.98	1.0
Compound_667	CCCCOCCOCCOCCCC	0.96	1.0
Compound_668	CC(=O)CC(=O)N(C)C	0.58	1.0
Compound_669	COc1cc(Cl)c(cc1NC(=O)CC(=O)C)OC	0.73	1.0
Compound_670	COc1cc(c(cc1N=NC(C(=O)Nc1cc(OC)c(cc1OC)Cl)C(=O)C)OC)S(=O)(=O)Nc1ccccc1	0.55	1.0
Compound_671	O=C(C(C(=O)C)N=Nc1ccccc1C(F)(F)F)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.03	0.0
Compound_672	O=c1[nH]c2c([nH]1)ccc(c2)NC(=O)C(C(=O)C)N=Nc1ccc(cc1)N(=O)=O	0.46	0.0
Compound_673	O=C(Nc1ccccc1)CC(=O)C	0.37	0.0
Compound_674	CC(=O)CC(=O)N	0.07	0.0
Compound_675	Cc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1)C(=O)C	0.8	1.0
Compound_676	COc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1OC)C(=O)C	0.85	1.0
Compound_677	COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)Cl	0.85	1.0
Compound_678	Clc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1Cl)C(=O)C	0.88	1.0
Compound_679	O=C(C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)Cl)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.26	0.0
Compound_680	COc1cc(ccc1N=NC(C(=O)Nc1ccccc1OC)C(=O)C)N(=O)=O	0.85	1.0
Compound_681	O=c1[nH]c2c([nH]1)ccc(c2)NC(=O)C(C(=O)C)N=Nc1cccc(c1)OCCOc1ccccc1N=NC(C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2)C(=O)C	0.01	0.0
Compound_682	COc1cc(ccc1N=NC(C(=O)Nc1ccccc1)C(=O)C)c1ccc(c(c1)OC)N=NC(C(=O)Nc1ccccc1)C(=O)C	0.36	0.0
Compound_683	COc1cc(Cl)c(cc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1cc(OC)c(cc1OC)Cl)C(=O)C)OC	0.53	1.0
Compound_684	CC(=O)C(C(=O)Nc1ccccc1C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1C)C(=O)C	0.31	0.0
Compound_685	COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C	0.53	1.0
Compound_686	Cc1ccc(c(c1)C)NC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)Nc1ccc(cc1C)C)C(=O)C)C(=O)C	0.23	0.0
Compound_687	CC(=O)C(C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1)C(=O)C	0.26	0.0
Compound_688	CCCC=O	0.98	1.0
Compound_689	COB1OB(OC)OB(O1)OC	0.96	1.0
Compound_690	COB(OC)OC	0.97	1.0
Compound_691	O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c1n(c3=O)c2c(n1)cccc2	0.04	0.0
Compound_692	CC1=CCC2CC1C2(C)C	0.93	1.0
Compound_693	NCC1C2CCC(C1CN)C2	0.34	0.0
Compound_694	CC=C1CC2CC1C=C2	0.77	1.0
Compound_695	C=CC1CC2CC1C=C2	0.95	1.0
Compound_696	CC(c1ccc2c(c1)nc(o2)c1ccc(s1)c1nc2c(o1)ccc(c2)C(C)(C)C)(C)C	0.77	1.0
Compound_697	c1ccc2c(c1)oc(n2)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2	0.6	1.0
Compound_698	c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2	0.68	1.0
Compound_699	O1CCN(CC1)Sc1nc2c(s1)cccc2	0.74	1.0
Compound_700	O=C(c1ccccc1)OCc1ccccc1	0.96	1.0
Compound_701	CCCCOC(=O)c1ccccc1	0.98	1.0
Compound_702	OC(=O)c1ccc(cc1)N(=O)=O	0.86	1.0
Compound_703	COC(=O)c1ccc(cc1)C=O	0.97	1.0
Compound_704	CCOC(=O)c1ccc(cc1)N(C)C	0.93	1.0
Compound_705	CCCCC(COC(=O)c1ccc(cc1)N(C)C)CC	0.97	1.0
Compound_706	CCCCCCCCCCCCCCCCOC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.77	1.0
Compound_707	O=C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C	0.99	1.0
Compound_708	OC(=O)c1cc(O)c(c(c1)O)O	0.65	1.0
Compound_709	O=C(c1ccccc1O)OCc1ccccc1	0.98	1.0
Compound_710	COC(=O)c1ccccc1O	0.94	1.0
Compound_711	CCCCCCOC(=O)c1ccccc1O	0.98	1.0
Compound_712	O=C(c1ccccc1O)OC1CCCCC1	0.98	1.0
Compound_713	CCCCC(COC(=O)c1ccccc1O)CC	0.96	1.0
Compound_714	OC(=O)c1ccccc1O	0.03	0.0
Compound_715	CCCCC(COC(=O)c1ccccc1)CC	0.95	1.0
Compound_716	COC(=O)c1ccccc1C(=O)c1ccccc1	0.98	1.0
Compound_717	COC(=O)c1ccccc1N	0.55	1.0
Compound_718	O=C(C(C(=O)C)N=Nc1ccccc1C(=O)O)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.01	0.0
Compound_719	COC(=O)c1c(C)cc(c(c1O)C)O	0.95	1.0
Compound_720	OC(=O)c1ccccc1P(c1ccccc1)c1ccccc1	0.88	1.0
Compound_721	OC(=O)c1ccccc1	0.93	1.0
Compound_722	O=C=NS(=O)(=O)c1ccc(cc1)C	0.47	0.0
Compound_723	CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl	0.92	1.0
Compound_724	COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c1ccccc1	0.69	1.0
Compound_725	NNS(=O)(=O)c1ccc(cc1)C	0.55	1.0
Compound_726	Cc1ccc(cc1)S(=O)(=O)O	0.4	0.0
Compound_727	Nc1ccc(cc1)S(=O)(=O)O	0.41	0.0
Compound_728	Nc1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O	0.97	1.0
Compound_729	NNS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)NN	0.26	0.0
Compound_730	Nc1cccc(c1)S(=O)(=O)O	0.66	1.0
Compound_731	O=N(=O)c1ccc(c(c1)S(=O)(=O)O)C	0.42	0.0
Compound_732	Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N	0.89	1.0
Compound_733	ClC(SN(S(=O)(=O)c1ccccc1)c1ccccc1)(Cl)Cl	0.96	1.0
Compound_734	CCCCNS(=O)(=O)c1ccccc1	0.1	0.0
Compound_735	Cc1ccc(cc1)S(=O)(=O)N	0.03	0.0
Compound_736	O=N(=O)c1cc(ccc1Nc1ccccc1)S(=O)(=O)Nc1ccccc1	0.39	0.0
Compound_737	OCCCc1ccccc1	0.79	1.0
Compound_738	CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.7	1.0
Compound_739	COC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.84	1.0
Compound_740	O=C(NNC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.07	0.0
Compound_741	O=C(C(=O)NCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)NCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.02	0.0
Compound_742	O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCCSCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.64	1.0
Compound_743	O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.6	1.0
Compound_744	O=C(CCc1cc(C)c(c(c1)C(C)(C)C)O)OCCOCCOCCOC(=O)CCc1cc(C)c(c(c1)C(C)(C)C)O	0.78	1.0
Compound_745	O=C(CC(c1ccc(c(c1)C(C)(C)C)O)(c1ccc(c(c1)C(C)(C)C)O)C)OCCOC(=O)CC(c1ccc(c(c1)C(C)(C)C)O)(c1ccc(c(c1)C(C)(C)C)O)C	0.91	1.0
Compound_746	O=C(CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)NCCCCCCNC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.01	0.0
Compound_747	COc1ccc(cc1)CC(C=O)C	0.93	1.0
Compound_748	O=CC(Cc1ccc(cc1)C(C)(C)C)C	0.99	1.0
Compound_749	O=CCCc1ccc(cc1)C(C)(C)C	0.82	1.0
Compound_750	O=CC(Cc1ccc(cc1)C(C)C)C	0.96	1.0
Compound_751	OCCC(CCc1ccccc1)C	0.96	1.0
Compound_752	COc1ccc(cc1)COC(=O)C	0.94	1.0
Compound_753	OCc1ccc(cc1)OC	0.98	1.0
Compound_754	CC(c1ccccc1)(O)C	0.98	1.0
Compound_755	OCc1ccccc1	0.07	0.0
Compound_756	CN(Cc1ccccc1)C	0.05	0.0
Compound_757	NCc1ccccc1	0.8	1.0
Compound_758	OCC(c1ccccc1)C	0.39	0.0
Compound_759	OCCc1ccccc1	0.32	0.0
Compound_760	O=C(c1ccccc1)OOC(C)(C)C	0.87	1.0
Compound_761	O=C(Cc1ccccc1)OCCc1ccccc1	0.95	1.0
Compound_762	CCCc1ccccc1	0.91	1.0
Compound_763	Cc1ccccc1	0.97	1.0
Compound_764	COc1ccccc1	0.9	1.0
Compound_765	CCc1ccccc1	0.97	1.0
Compound_766	Clc1ccccc1	0.99	1.0
Compound_767	CCCCc1ccccc1	0.1	0.0
Compound_768	O=N(=O)c1cc(N(=O)=O)c(c(c1)N(=O)=O)C	0.99	1.0
Compound_769	O=C=Nc1ccc(c(c1)N=C=O)C	0.34	0.0
Compound_770	O=N(=O)c1ccc(c(c1)N(=O)=O)C	0.99	1.0
Compound_771	COc1ccc(cc1)C	0.85	1.0
Compound_772	COc1ccc(cc1)CC=C	0.89	1.0
Compound_773	CC=Cc1ccc(cc1)OC	0.12	0.0
Compound_774	COc1ccc(cc1N(=O)=O)N(=O)=O	0.96	1.0
Compound_775	CCc1ccc(cc1)C	0.98	1.0
Compound_776	C=Cc1ccc(cc1)C	0.99	1.0
Compound_777	ClCc1ccccc1Cl	0.69	1.0
Compound_778	CCc1ccc(cc1)CC	0.98	1.0
Compound_779	Clc1ccc(cc1)Cl	0.99	1.0
Compound_780	CC(c1ccc(cc1)C(C)C)C	0.99	1.0
Compound_781	Clc1cccc(c1C)Cl	0.74	1.0
Compound_782	CC(=C)c1cccc(c1)C(=C)C	0.93	1.0
Compound_783	O=C=NC(c1cccc(c1)C(N=C=O)(C)C)(C)C	0.88	1.0
Compound_784	CC(c1cc(cc(c1)C(C)C)C(C)C)C	0.99	1.0
Compound_785	Cc1cc(C)cc(c1)C	0.99	1.0
Compound_786	C=CCOc1c(Br)cc(cc1Br)Br	0.95	1.0
Compound_787	Clc1ccc(c(c1)Cl)Cl	0.39	0.0
Compound_788	Clc1cc(Cl)c(c(c1Cl)Cl)Cl	0.24	0.0
Compound_789	Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.37	0.0
Compound_790	Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl	0.99	1.0
Compound_791	O=S(=O)(c1ccccc1)c1ccccc1	0.95	1.0
Compound_792	Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br	1.0	1.0
Compound_793	c1ccc(cc1)Oc1ccccc1	0.99	1.0
Compound_794	C(Oc1ccccc1)COc1ccccc1	0.99	1.0
Compound_795	BrCC(COc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OCC(CBr)Br)(C)C)Br	0.99	1.0
Compound_796	C=C(c1ccccc1)CC(c1ccccc1)(C)C	0.98	1.0
Compound_797	CC(C(c1ccccc1)(C)C)(c1ccccc1)C	0.99	1.0
Compound_798	CCCCCCCCCCOc1ccc(cc1C(CC)C)C(c1ccccc1)(c1ccccc1)c1ccccc1	0.72	1.0
Compound_799	C=Cc1ccc(cc1)C(C)(C)C	0.98	1.0
Compound_800	CO[Si](c1ccccc1)(OC)OC	0.97	1.0
Compound_801	CCO[Si](c1ccccc1)(OCC)OCC	0.98	1.0