Index	SMILES	Probability	Label
Compound_1	C/C=C(\C(=O)OCCC(C)C)/C	0.57	1.0
Compound_2	CCCCC(=O)OCCC(C)C	0.9	1.0
Compound_3	O=COCCC1=CCC(=CC1)C(C)C	0.33	0.0
Compound_4	O=CO[C@H]1CC2C(C1(C)CC2)(C)C	0.2	0.0
Compound_5	CC(CC(=O)OC1CC2C(C1(C)CC2)(C)C)C	0.26	0.0
Compound_6	CO[C@H]1C[C@@H]2C([C@]1(C)CC2)(C)C	0.1	0.0
Compound_7	CCC(=O)OC1CC2C(C1(C)CC2)(C)C	0.51	1.0
Compound_8	CC(COC(=O)c1ccccc1)C	0.95	1.0
Compound_9	CCCC(=O)OCC(C)C	0.93	1.0
Compound_10	CC(COC(=O)C=Cc1ccccc1)C	0.93	1.0
Compound_11	O=COCC(C)C	0.93	1.0
Compound_12	CC(COC(=O)CCc1ccco1)C	0.87	1.0
Compound_13	CCCCCCC(=O)OCC(C)C	0.92	1.0
Compound_14	CCCCCC(=O)OCC(C)C	0.93	1.0
Compound_15	CC(COC(=O)CC(C)C)C	0.82	1.0
Compound_16	C=CC(CCC=C(CC(C)C)C)(O)C	0.12	0.0
Compound_17	COc1nccnc1CC(C)C	0.89	1.0
Compound_18	CNc1ccccc1C(=O)OCC(C)C	0.83	1.0
Compound_19	CCC(C(=O)OCC(C)C)C	0.94	1.0
Compound_20	CC(COc1ccc2c(c1)cccc2)C	0.99	1.0
Compound_21	CC(COC(=O)Cc1ccccc1)C	0.96	1.0
Compound_22	CCC(=O)OCC(C)C	0.94	1.0
Compound_23	CC(Cc1ccc2c(n1)cccc2)C	0.87	1.0
Compound_24	CC(Cc1ccc2c(c1)cccn2)C	0.98	1.0
Compound_25	CC(Cc1ccnc2c1cccc2)C	0.98	1.0
Compound_26	CC(COC(=O)c1ccccc1O)C	0.95	1.0
Compound_27	CC(Cc1nccs1)C	0.8	1.0
Compound_28	CC=C(C(=O)OCC(C)C)C	0.7	1.0
Compound_29	CC(C12CCC(O2)(CC1)C)C	0.56	1.0
Compound_30	O=CC1C(C)CC(=CC1C)C	0.59	1.0
Compound_31	OCC1C(C)CC(=CC1C)C	0.15	0.0
Compound_32	CC(CCCCCCCOC(=O)C)C	0.88	1.0
Compound_33	OCCCCCCCC(C)C	0.95	1.0
Compound_34	CC=Cc1ccc(c(c1)OC)O	0.42	0.0
Compound_35	C/C=C/c1ccc(c(c1)OC)OC(=O)C	0.24	0.0
Compound_36	CC=Cc1ccc(c(c1)OC)OC(=O)c1ccccc1	0.9	1.0
Compound_37	CC=Cc1ccc(c(c1)OC)OC(=O)Cc1ccccc1	0.85	1.0
Compound_38	O=CC1CCC(=CC1)CCC=C(C)C	0.2	0.0
Compound_39	CC1=C(C/C=C/CC)CCC1=O	0.47	0.0
Compound_40	CC1(C)CCC2C3(C41CCC(C4)C3(C)C)O2	0.77	1.0
Compound_41	CC(=O)C(=CC1=C(C)CCCC1(C)C)C	0.97	1.0
Compound_42	O=CCCCCCC(C)C	0.87	1.0
Compound_43	CC(CCCCCCOC(=O)C)C	0.88	1.0
Compound_44	CCC(=O)OCCCCCCC(C)C	0.92	1.0
Compound_45	CCCC(CC(CC(CC)C)C)C	0.99	1.0
Compound_46	CCCCCCCCC(C)C	0.99	1.0
Compound_47	CCC(=C/C=C/C(O)(C)C)C	0.43	0.0
Compound_48	CCOC(OCC)CCCCC(C)C	0.87	1.0
Compound_49	CC(CCC1(C)OCC=CCO1)C	0.79	1.0
Compound_50	CC(=C)CCOC(=O)C=C(C)C	0.68	1.0
Compound_51	CC(CC(=O)OCCC(=C)C)C	0.73	1.0
Compound_52	CC(=CCOCCc1ccccc1)C	0.73	1.0
Compound_53	CC(=CCOC(=O)c1ccccc1O)C	0.47	0.0
Compound_54	OCC(C(=C)C)CC=C(C)C	0.23	0.0
Compound_55	CC(OCCc1ccccc1)C	0.89	1.0
Compound_56	CC(OC(=O)c1ccccc1)C	0.97	1.0
Compound_57	CC(C1CC2=C(CC1C(C2)C(=O)C)C)C	0.85	1.0
Compound_58	CCCC(=O)OC(C)C	0.86	1.0
Compound_59	CC(OC(=O)C=Cc1ccccc1)C	0.96	1.0
Compound_60	Cc1ccc(c(c1)C(C)C)O	0.99	1.0
Compound_61	OCCC1=CC=C(CC1)C(C)C	0.15	0.0
Compound_62	O=CCC1CCC(CC1)C(C)C	0.64	1.0
Compound_63	OCC1CCC(CC1)C(C)C	0.73	1.0
Compound_64	CC(C1CCC(CC1)O)C	0.4	0.0
Compound_65	OC(=O)C1CCC(=CC1)C(C)C	0.21	0.0
Compound_66	OCCC1CCC(CC1)C(C)C	0.86	1.0
Compound_67	CCC(=O)OC1CCC(CC1)C(C)C	0.79	1.0
Compound_68	CC(C1OCOCC1(C)C)C	0.66	1.0
Compound_69	CCCCCC(=O)OC(C)C	0.82	1.0
Compound_70	CC(=O)OC1(C)CCC(=C(C)C)CC1	0.38	0.0
Compound_71	CC(C1Cc2c(C1=O)cccc2)C	0.99	1.0
Compound_72	CC(CC(=O)OC(C)C)C	0.82	1.0
Compound_73	COc1nccnc1C(C)C	0.77	1.0
Compound_74	COc1cc(ccc1C)C(C)C	0.87	1.0
Compound_75	COc1ccc(cc1C(C)C)C	0.88	1.0
Compound_76	COc1cc(C)ccc1C(C)C	0.87	1.0
Compound_77	O=CC1CC2=C(CC1C(C2)C(C)C)C	0.83	1.0
Compound_78	O=CC1CC2(CCC1(C)C=C2)C(C)C	0.95	1.0
Compound_79	O=CC1CC2(C)CCC1(C=C2)C(C)C	0.95	1.0
Compound_80	O=CC1CC2C=C(C1CC2C(C)C)C	0.87	1.0
Compound_81	N#CC1CC2CC(C1C=C2C)C(C)C	0.97	1.0
Compound_82	CC1=CC2CC(C1CC2C(C)C)C1OCCO1	0.14	0.0
Compound_83	CC(C(C(=O)c1ccccc1)C(C)C)C	0.99	1.0
Compound_84	O=CC(=Cc1ccc(cc1)C(C)C)C	0.78	1.0
Compound_85	CC1=CC[C@@H](C=C1)C(C)C	0.71	1.0
Compound_86	OCC(C1CCC(CC1)C(C)C)C	0.85	1.0
Compound_87	CC(C1CCC(C(=O)C1)C)C	0.38	0.0
Compound_88	CC(=O)OC1(C)CCC(CC1)C(C)C	0.53	1.0
Compound_89	CC=C(C(=O)OC1CC(C)CCC1C(C)C)C	0.63	1.0
Compound_90	O=CC(=CCC(C)C)C(C)C	0.4	0.0
Compound_91	OC/C(=C/CC(C)C)/C(C)C	0.18	0.0
Compound_92	CC(=O)OCC(C(C)C)CC=C(C)C	0.57	1.0
Compound_93	CC(CC=C(C(C)C)COC(=O)C)C	0.84	1.0
Compound_94	CC1CCC(OC(=O)C1)C(C)C	0.58	1.0
Compound_95	Cc1cc(oc(=O)c1)C(C)C	0.66	1.0
Compound_96	CC(CC(=O)SC(C)C)C	0.85	1.0
Compound_97	CC(SC(=O)C=C(C)C)C	0.96	1.0
Compound_98	O=C1CCC2C(C1)CCC(C2)C(C)C	0.81	1.0
Compound_99	CCCCCCCC(=O)OC(C)C	0.9	1.0
Compound_100	CC([C@@H]1CCC2(CC1)CCC(=O)O2)C	0.42	0.0
Compound_101	CC(c1ccc(cc1)O)C	0.98	1.0
Compound_102	O=CCc1ccc(cc1)C(C)C	0.88	1.0
Compound_103	CC(OC(=O)Cc1ccccc1)C	0.97	1.0
Compound_104	O=CC(c1ccc(cc1)C(C)C)C	0.99	1.0
Compound_105	CC(c1ccnc2c1cccc2)C	0.99	1.0
Compound_106	CC(c1ccc2c(c1)cccn2)C	0.99	1.0
Compound_107	CC(C1OC(C)(C)OCC1(C)C)C	0.49	0.0
Compound_108	C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(=C)C	0.53	1.0
Compound_109	O=COC1CC(C)CCC1C(=C)C	0.59	1.0
Compound_110	CC(CCCCCCCCCCOC(=O)C)C	0.88	1.0
Compound_111	CCC=CCC1=C(C)CCC1=O	0.79	1.0
Compound_112	CCCCCC1COCCC1OC(=O)C	0.84	1.0
Compound_113	CCOC(=C)C1C(C)(C)CC(=O)CC1(C)C	0.46	0.0
Compound_114	CCCCCCCCCCC(=O)CCC	0.96	1.0
Compound_115	O=C1OC23CCCC(C3CC1(C)CC2)(C)C	0.32	0.0
Compound_116	CC(=O)O[C@@H]1C[C@@H](CC=C1C)C(=C)C	0.39	0.0
Compound_117	CCCCCCCCCCCC(OC)OC	0.88	1.0
Compound_118	CCCCCCCCCCCCOC(=O)C	0.96	1.0
Compound_119	CCCCCCCCCCCCOC(=O)C(O)C	0.83	1.0
Compound_120	CC(=O)OCC(C(=C)C)CC=C(C)C	0.7	1.0
Compound_121	CC(=O)CCC(=O)O	0.24	0.0
Compound_122	CC(=CCCC(C1CO1)(O)C)C	0.34	0.0
Compound_123	C=CC1(C)CCC(O1)C(O)(C)C	0.54	1.0
Compound_124	C=CC(OC(=O)c1ccccc1N)(CCC=C(C)C)C	0.69	1.0
Compound_125	C=CC(OC(=O)c1ccccc1)(CCC=C(C)C)C	0.44	0.0
Compound_126	CCCC(=O)OC(CCC=C(C)C)(C=C)C	0.5	0.0
Compound_127	C=CC(OC(=O)C=Cc1ccccc1)(CCC=C(C)C)C	0.46	0.0
Compound_128	O=COC(CCC=C(C)C)(C=C)C	0.56	1.0
Compound_129	C=CC(OC(=O)C(C)C)(CCC=C(C)C)C	0.48	0.0
Compound_130	COC(CCC=C(C)C)(C=C)C	0.55	1.0
Compound_131	C=CC(OC(=O)Cc1ccccc1)(CCC=C(C)C)C	0.32	0.0
Compound_132	CCC(=O)OC(CCC=C(C)C)(C=C)C	0.43	0.0
Compound_133	CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O	0.35	0.0
Compound_134	C=C1C2CCC3C1(C)CCCC(C23)(C)C	0.84	1.0
Compound_135	COC1(C)CCCCCCCCCCC1	0.84	1.0
Compound_136	O=c1ccoc(c1O)C	0.3	0.0
Compound_137	OC1CC2CC1C1C2CCC1	0.94	1.0
Compound_138	CC(=O)OCC1CC2C(C1)C1CC2CC1	0.92	1.0
Compound_139	CC(=O)OC1CC2CC1C1C2CCC1	0.95	1.0
Compound_140	CC(=O)OCC1CCC2C1C1CCC2C1	0.91	1.0
Compound_141	O=COCC1CCC2C1C1CCC2C1	0.68	1.0
Compound_142	O=COCC1CC2C(C1)C1CC2CC1	0.89	1.0
Compound_143	O=CC1CCC2C1C1CCC2C1	0.89	1.0
Compound_144	CC([C@@H]1CCC(=C)C=C1)C	0.83	1.0
Compound_145	CC1CCC(CC1)C(OC(=O)C)(C)C	0.59	1.0
Compound_146	CCC(=O)C1CC(CC=C1C)C(C)C	0.73	1.0
Compound_147	O=CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	0.13	0.0
Compound_148	CC1CCC(C(C1)OC(=O)Cc1ccccc1)C(C)C	0.28	0.0
Compound_149	CC1CCC(C(=O)C1)C(S)(C)C	0.51	1.0
Compound_150	COCCCC=C1CCCCC1	0.91	1.0
Compound_151	COc1ccc(cc1)C=CC=O	0.84	1.0
Compound_152	O=C/C=C/c1ccccc1OC	0.86	1.0
Compound_153	O=CCC(CCCC(OC)(C)C)C	0.26	0.0
Compound_154	COc1cc(C)cc(c1)O	0.96	1.0
Compound_155	COc1cc(C)ccc1O	0.57	1.0
Compound_156	COC1CCCCCCCCCCC1	0.98	1.0
Compound_157	O=CC(CCCC(OC)(C)C)C	0.58	1.0
Compound_158	COCC=C(CCC=C(C)C)C	0.52	1.0
Compound_159	COCCC(CCC=C(C)C)C	0.69	1.0
Compound_160	C=CC(CCCC(OC)(C)C)C	0.73	1.0
Compound_161	COC(OCCC(CCC=C(C)C)C)C	0.61	1.0
Compound_162	CCCC(CCOC)S	0.97	1.0
Compound_163	COc1ccc(cc1)CC(C=O)C	0.93	1.0
Compound_164	COC1CCc2c1cccc2	0.96	1.0
Compound_165	COC(C1CCC(=CC1)C)(C)C	0.34	0.0
Compound_166	COCc1ccc(c(c1)OC)O	0.77	1.0
Compound_167	COCCC(S)(C)C	0.83	1.0
Compound_168	COc1nccnc1C	0.74	1.0
Compound_169	COc1ccc(cc1)CCC(=O)C	0.91	1.0
Compound_170	COc1ccc(cc1)CC(C(=O)C)C	0.92	1.0
Compound_171	CC/C=C/CCOC(OC)CC	0.93	1.0
Compound_172	COC1=CC(C(C(C1)(C)C)C(=O)C)(C)C	0.5	0.0
Compound_173	CCCCCCC/C=C/CCCCOC	0.97	1.0
Compound_174	COC(=O)[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C	0.67	1.0
Compound_175	COC(=O)c1ccccc1NC(=O)C	0.28	0.0
Compound_176	C/C=C(\C(=O)OCC(=C)C)/C	0.86	1.0
Compound_177	COc1ccc(cc1)C(=O)OC	0.91	1.0
Compound_178	COC(=O)c1ccccc1OC	0.93	1.0
Compound_179	CC(CCC#N)CCc1ccccc1	0.77	1.0
Compound_180	O=CCC(CCc1ccccc1)C	0.86	1.0
Compound_181	COC(=O)c1ccccc1	0.97	1.0
Compound_182	O=C1COc2c(OC1)ccc(c2)C	0.93	1.0
Compound_183	O=CC(Cc1ccc2c(c1)OCO2)C	0.98	1.0
Compound_184	Cc1nc2c(o1)cccc2	0.64	1.0
Compound_185	CC(=O)OCc1ccc(cc1)C	0.97	1.0
Compound_186	CC(Cc1ccccc1)OC(=O)C	0.97	1.0
Compound_187	COC(=O)C1OC1(C)C1CC2CC1C=C2	0.66	1.0
Compound_188	CCC(S)(C)C	0.97	1.0
Compound_189	C/C(=C\C)/CO	0.57	1.0
Compound_190	C/C=C(/COC(=O)/C(=C/C)/C)\C	0.78	1.0
Compound_191	CCCC(=O)OCC(CC)C	0.95	1.0
Compound_192	CCC(COC(=O)CC(C)C)C	0.91	1.0
Compound_193	CCCC(=O)OC	0.96	1.0
Compound_194	N#CC(=Cc1ccccc1)C	0.97	1.0
Compound_195	CC(/C=C/c1ccccc1)O	0.85	1.0
Compound_196	O=CC(Cc1ccc(cc1)C)C	0.98	1.0
Compound_197	O=C1C(C)CCCC1=O	0.71	1.0
Compound_198	CC(=O)OCCC(=C)C1CCC(=CC1)C	0.87	1.0
Compound_199	O=CCCC(=C1CCC(=CC1)C)C	0.52	1.0
Compound_200	CC1=CCC(CC1)C(CC1CCCC1=O)C	0.67	1.0
Compound_201	CC(C1CCCCC1)OC(=O)C	0.88	1.0
Compound_202	COC(=O)C1CCCCCCC1	0.97	1.0
Compound_203	CC1CCCCCCCCCCCCC(C1)O	0.79	1.0
Compound_204	CC1CCCCCCCCCCCCC(=O)C1	0.95	1.0
Compound_205	OC1=C(C)CCC1=O	0.43	0.0
Compound_206	CC1CCCCCCCCCCC(=O)C1	0.97	1.0
Compound_207	CCCCCCC1(C)CCC(=O)O1	0.79	1.0
Compound_208	CCCCCCCCC(C#N)C	0.92	1.0
Compound_209	CCCCCCCCCC(OC(=O)C)C	0.87	1.0
Compound_210	CCCCCCCCCC=Nc1ccccc1C(=O)OC	0.36	0.0
Compound_211	COC(=O)c1c(C)cc(c(c1O)C)O	0.95	1.0
Compound_212	COC(=O)c1ccccc1NC=C1CCC(=CC1C)C	0.37	0.0
Compound_213	COC(=O)C=C(CCC=C(C)C)C	0.51	1.0
Compound_214	COC(=O)c1ccccc1N=CCC(CCC=C(C)C)C	0.27	0.0
Compound_215	CC1CCOC2(O1)CCCCC2	0.91	1.0
Compound_216	CCCCCCCCCCC(C=O)C	0.96	1.0
Compound_217	CCCCCCCCCC(CC#N)C	0.97	1.0
Compound_218	CCCCCCCCCCCC=Nc1ccccc1C(=O)OC	0.36	0.0
Compound_219	C=C(c1ccccc1)CCOC(=O)C	0.98	1.0
Compound_220	CCCCC1CC(=C)CC(O1)C	0.81	1.0
Compound_221	CCC(C(=O)OC)C(=O)C	0.64	1.0
Compound_222	O=CNc1ccccc1C(=O)OC	0.42	0.0
Compound_223	O=C1CC=C(O1)C	0.87	1.0
Compound_224	Sc1ccoc1C	0.81	1.0
Compound_225	Cc1ccc(o1)C=O	0.81	1.0
Compound_226	COC(=O)c1ccco1	0.75	1.0
Compound_227	C/C(=C\COc1ccc2c(c1)oc(=O)cc2C)/CCC=C(C)C	0.53	1.0
Compound_228	CC(=C/C=C/C(=O)C)C	0.68	1.0
Compound_229	CCCCCCC(=O)OC	0.92	1.0
Compound_230	CCC(CC(=NO)CC)C	0.83	1.0
Compound_231	CC(CCC=C(C)C)O	0.07	0.0
Compound_232	OCC/C=C/CC(C)C	0.92	1.0
Compound_233	CC=CC(=O)C(CC)C	0.82	1.0
Compound_234	CCC/C=C/C(=O)OC	0.91	1.0
Compound_235	CCCCCCC(C=O)C	0.96	1.0
Compound_236	CCCCCCOC	0.96	1.0
Compound_237	O=CC(c1ccc(cc1)C)C	0.82	1.0
Compound_238	COC(=O)c1ccccc1N=CC1CCC(=CC1)CCCC(O)(C)C	0.05	0.0
Compound_239	CC(=O)C=CC1=C(C)CCC(C1(C)C)C	0.94	1.0
Compound_240	CC(=O)C=C[C@H]1C(=CC[C@H](C1(C)C)C)C	0.72	1.0
Compound_241	CC=Cc1ccc(c(c1)OC)OC	0.62	1.0
Compound_242	CC(C1CCC(CC1)(C)O)C	0.29	0.0
Compound_243	COC(=O)C1CC2(CCC1(C)C=C2)C(C)C	0.52	1.0
Compound_244	COC(=O)CC(C)C	0.89	1.0
Compound_245	CCCCCC=CCC=CCCCCCCCC(=O)OC	0.91	1.0
Compound_246	CCC(C(=O)OC)C	0.93	1.0
Compound_247	COC(=O)C1(C)CCC=CC1	0.8	1.0
Compound_248	CCCC(=O)OC(C1CCC(=CC1)C)(C)C	0.58	1.0
Compound_249	CC(=CCC=C(C1CCC(=CC1)C)C)C	0.14	0.0
Compound_250	O=CCC(=C)CCC=C(C)C	0.38	0.0
Compound_251	CC1C2CC3CC1C(C(C2)C3=C)O	0.83	1.0
Compound_252	CC1CCC(C(=O)C1)C(SC(=O)C)(C)C	0.62	1.0
Compound_253	O=CC1(C)CCC=C(C1)CCC=C(C)C	0.22	0.0
Compound_254	O=CC1(C)CCC(=CC1)CCC=C(C)C	0.23	0.0
Compound_255	CCCC(C=Nc1ccccc1C(=O)OC)C	0.64	1.0
Compound_256	CC/C(=C/C(C=C(C)C)CC(=O)C)/C	0.41	0.0
Compound_257	CCC(C1CCCCC1(C)OC(=O)C)C	0.65	1.0
Compound_258	COC(=O)c1ccc(c(c1O)C)O	0.93	1.0
Compound_259	COC(=O)c1ccc(cc1O)C	0.9	1.0
Compound_260	CSc1nccnc1C	0.75	1.0
Compound_261	COC(=O)C1OC1(C)C=CC1C(=CCCC1(C)C)C	0.25	0.0
Compound_262	CCCCCCCCCC(C=Nc1ccccc1C(=O)OC)C	0.7	1.0
Compound_263	COC(=O)CCC(C)C	0.73	1.0
Compound_264	CC(=C)C1CCC(CC1)(C)O	0.37	0.0
Compound_265	CC(=C)C1(C)CCCCC1O	0.17	0.0
Compound_266	CC(=O)OC1(C)CCC(CC1)C(=C)C	0.6	1.0
Compound_267	CC(=O)c1cccc2c1cccc2	0.96	1.0
Compound_268	COC(=O)c1ccccc1NC	0.87	1.0
Compound_269	CCCCCC=CCC(=O)OC	0.91	1.0
Compound_270	CCCCCCC=CC(=O)OC	0.99	1.0
Compound_271	CCC=CCC=CCC=CCCCCCCCC(=O)OC	0.89	1.0
Compound_272	CC(=O)OC([C@@H]1CC[C@@H](C2=C(C1)[C@@H](C)CC2)C)(C)C	0.49	0.0
Compound_273	CC1CC(=O)OC1CCCC	0.75	1.0
Compound_274	CCCCCC(C(COC(=O)C)C)OC(=O)C	0.23	0.0
Compound_275	CCCCCC(CC)(O)C	0.77	1.0
Compound_276	CCCCCCC(O)(C)C	0.59	1.0
Compound_277	CCCCCC(C=C)(O)C	0.6	1.0
Compound_278	CCCCCC(OC(=O)C)(C=C)C	0.6	1.0
Compound_279	CCCCCCC#CC(=O)OC	0.98	1.0
Compound_280	CCCCCCCCC(C=O)C	0.96	1.0
Compound_281	CCCCCC(OC(=O)C)(CC)C	0.76	1.0
Compound_282	CCCCCCCC/C=C/CCCCCCCC(=O)OC	0.93	1.0
Compound_283	CC1(O)CCOC2(C1)CCCCC2	0.89	1.0
Compound_284	CC1C=COC2(C1)CCCCC2	0.87	1.0
Compound_285	CC/C=C/CC1C(CCC1=O)CC(=O)OC	0.61	1.0
Compound_286	CCC(=O)Oc1c(C)occc1=O	0.31	0.0
Compound_287	O=C(C(C)C)Oc1c(C)occc1=O	0.37	0.0
Compound_288	CCCCCCCCC(=O)OC	0.95	1.0
Compound_289	CC(C(=O)C(=O)C)C	0.85	1.0
Compound_290	OCCC(CC)C	0.96	1.0
Compound_291	[O-]C(=O)C(=CCC)C	0.43	0.0
Compound_292	CC(C(=O)O)/C=C/C	0.67	1.0
Compound_293	CC/C=C(/COC(=O)C)\C	0.87	1.0
Compound_294	O=CC1CCC=C(C1)CCC=C(C)C	0.17	0.0
Compound_295	CC(=O)OC[C@H]1CCC=C(C1)CCC=C(C)C	0.39	0.0
Compound_296	CCC(CCOC(=O)C(=CC)C)C	0.85	1.0
Compound_297	CCCC(COC(=O)C(CCC)C)C	0.93	1.0
Compound_298	O=CCOc1ccc(cc1)C	0.99	1.0
Compound_299	OCCOc1ccc(cc1)C	0.97	1.0
Compound_300	OC(C(C)C)Cc1ccccc1	0.47	0.0
Compound_301	OC1COC(OC1)c1ccc(cc1)C	0.61	1.0
Compound_302	CC1COC(O1)C(c1ccccc1)C	0.73	1.0
Compound_303	CC1CC(=CC(O1)c1ccccc1)C	0.92	1.0
Compound_304	CC1=CC(C)OC(C1)c1ccccc1	0.89	1.0
Compound_305	O=CC(=CCC(C)C)c1ccccc1	0.93	1.0
Compound_306	CCCCCCC(=Cc1ccccc1)C=Nc1ccccc1C(=O)OC	0.63	1.0
Compound_307	N#CCC(CCc1ccccc1)C	0.73	1.0
Compound_308	OC(Cc1ccccc1)CC(C)C	0.68	1.0
Compound_309	CC(=O)CC(c1ccccc1)(C)C	0.99	1.0
Compound_310	O=CC(=CC(C)C)c1ccccc1	0.97	1.0
Compound_311	N#CC=C(CCc1ccccc1)C	0.88	1.0
Compound_312	COC(=O)CCc1ccccc1	0.95	1.0
Compound_313	CCC(=O)OC	0.93	1.0
Compound_314	CCCC1CC(=CC(=O)C1)C	0.89	1.0
Compound_315	CCCC(=O)C(=O)C	0.73	1.0
Compound_316	CCC(C1CCCCC1(C=C)OC(=O)C)C	0.95	1.0
Compound_317	CC(=O)c1cnccn1	0.66	1.0
Compound_318	Cc1ccnc2c1cccc2	0.99	1.0
Compound_319	Cc1ccc2c(c1)cccn2	0.99	1.0
Compound_320	CC1OCC2(CO1)CC1CC2CC1	0.6	1.0
Compound_321	COC1=NCCCCC1	0.16	0.0
Compound_322	Cc1ncsc1CCO	0.57	1.0
Compound_323	CC(=O)c1nccs1	0.86	1.0
Compound_324	COC(=O)C(=CC)C	0.74	1.0
Compound_325	CC1=CCCC(=CC/C=C(\C(CC1)C(=O)C)/C)C	0.3	0.0
Compound_326	O=CC(=CCC1=C(C)CCCC1(C)C)C	0.88	1.0
Compound_327	O=CC(=CCC1C(=CCCC1(C)C)C)C	0.36	0.0
Compound_328	O=CC(C=CC1C(=CCCC1(C)C)C)C	0.69	1.0
Compound_329	CC1=CC(C(C(C1)C=C(C(=O)C)C)C)C	0.31	0.0
Compound_330	CC1CC(CC(C1)O)CC1CC=C(C1(C)C)C	0.49	0.0
Compound_331	COC(=O)c1ccccc1N=CCC(CC(C)(C)C)C	0.74	1.0
Compound_332	CCCCCCCCCC(C(OC)OC)C	0.89	1.0
Compound_333	CCCCCCCCCC(CO)C	0.97	1.0
Compound_334	CC=CCCCCCCCC(=O)OC	0.8	1.0
Compound_335	CCCCC(=O)OC	0.96	1.0
Compound_336	COC(=O)c1ccc(c(c1)OC)O	0.81	1.0
Compound_337	CC(=O)OCC1=CCC(CC1)C(=C)C	0.93	1.0
Compound_338	CCC(=O)OCC(CC1=C(C)CCC1C(=C)C)(C)C	0.7	1.0
Compound_339	O=C1CCCCCCCCCOCCCCCO1	0.87	1.0
Compound_340	CCCCCCCCCCOC	0.97	1.0
Compound_341	C=CC(=C)CCCC(OC(=O)C)(C)C	0.55	1.0
Compound_342	CCCCCCCCCCCCCC=O	0.96	1.0
Compound_343	OCC1=CCC2CC1C2(C)C	0.35	0.0
Compound_344	CC(=O)OCC1=CCC2CC1C2(C)C	0.73	1.0
Compound_345	CCC(C1OCC=CCO1)CC	0.9	1.0
Compound_346	C=C[C@@](OC(=O)C)(CCC=C(CCC=C(C)C)C)C	0.59	1.0
Compound_347	CC(=CC1OCC=C(C1)C)C	0.17	0.0
Compound_348	O=CC(C=C(CCC=C(C)C)C)O	0.08	0.0
Compound_349	CC(CC(=O)OCC=C(CCC=C(C)C)C)C	0.62	1.0
Compound_350	CCCCCCCC(=O)N(CC)CC	0.89	1.0
Compound_351	CCCCCCCCCCCCCCCCCCC	1.0	1.0
Compound_352	CCCCC=CC=CC=O	0.81	1.0
Compound_353	CCC=CCCC=CC=O	0.82	1.0
Compound_354	CCC=CCCC=CC(OCC)OCC	0.89	1.0
Compound_355	CC/C=C/CCC=CCO	0.92	1.0
Compound_356	OCCC=CCC=CCC	0.97	1.0
Compound_357	CC/C=C/CCC=CCOC(=O)C	0.93	1.0
Compound_358	CCCCC1CCCC(=O)O1	0.96	1.0
Compound_359	CCCCCCCCC=Nc1ccccc1C(=O)OC	0.36	0.0
Compound_360	CCCCCCCCC(OC(=O)C)OC(=O)C	0.36	0.0
Compound_361	CCCCCCC(CC)O	0.89	1.0
Compound_362	CCCCCCC(=O)CC	0.96	1.0
Compound_363	CCCCCCC=CC=O	0.97	1.0
Compound_364	O=CCCCCC=CCC	0.94	1.0
Compound_365	CCCCCCC=CC#N	0.98	1.0
Compound_366	CCCCCCC(C=C)O	0.93	1.0
Compound_367	OCCCCCC=CCC	0.93	1.0
Compound_368	CCC/C=C/CCC(=O)C	0.86	1.0
Compound_369	CC/C=C/CCCCCOC(=O)C	0.95	1.0
Compound_370	CCCCCCCCCOC(=O)C	0.96	1.0
Compound_371	CCCCCCCCCC(=CC)C=O	0.9	1.0
Compound_372	CCCCCCC#CC(OC)OC	0.83	1.0
Compound_373	O=C1CC(C)C2(C(=C1)CCC(C2)C(=C)C)C	0.77	1.0
Compound_374	C=CC(=CCC=C(C)C)C	0.83	1.0
Compound_375	C/C=C(/C=C/C=C(C)C)\C	0.77	1.0
Compound_376	C=CC(=CCCC(O)(C)C)C	0.21	0.0
Compound_377	CC(=CC=CC(=C)C(O)C)C	0.74	1.0
Compound_378	C=CC(=CCCC(OC(=O)C)(C)C)C	0.53	1.0
Compound_379	O=C1CCC2C(O1)CCCC2	0.97	1.0
Compound_380	C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(O)(C)C	0.39	0.0
Compound_381	CC(=C)C1CCC2=CCCC(C2(C1)C)C	0.91	1.0
Compound_382	O=CC1CCC2=C(C1)C(C)(C)CCC2	0.93	1.0
Compound_383	O=CC1CCC2C(=CCCC2(C)C)C1	0.92	1.0
Compound_384	O=CC1CCC2=C(C1)CCCC2(C)C	0.93	1.0
Compound_385	N#CC1CCC2=C(C1)C(C)(C)CCC2	0.94	1.0
Compound_386	CC1CCCC2(C1(O)CCCC2)C	0.47	0.0
Compound_387	CC1CC2C3CCC(C2CC1=O)C3	0.87	1.0
Compound_388	O=C1CC[C@@H]2[C@@H](C1)CCCC2	0.93	1.0
Compound_389	C1CC2C(C1)C1CC2CC21OCCO2	0.61	1.0
Compound_390	C[C@@H]1CCC2C(C3=C(CC[C@H]13)C)C2(C)C	0.79	1.0
Compound_391	O=C1CC2(C)CCCC(C32C(C1C)C3)(C)C	0.8	1.0
Compound_392	CC1CCC2=C1CC1CCC2(C1(C)C)C	0.83	1.0
Compound_393	O=C1C[C@@H]2[C@@H]3[C@H]1C([C@@]2(C)CCCC3(C)C)C	0.88	1.0
Compound_394	OCC1CCC(C23C41C2CC(C4(C)C)C3)(C)C	0.45	0.0
Compound_395	CC(=O)OCC1CCC(C23C41C2CC(C4(C)C)C3)(C)C	0.8	1.0
Compound_396	O=COCC1CCC(C23C41C2CC(C4(C)C)C3)(C)C	0.79	1.0
Compound_397	C[C@H]1CCC2([C@@]3(C1CC(C2(C)C)CC3)C)O	0.19	0.0
Compound_398	CC(=O)C1(C)CC2C(=CCCC2(C)C)CC1C	0.95	1.0
Compound_399	O=COC1C(C)CCC2(C1(C)CCC=C2C)C	0.35	0.0
Compound_400	CC12CCC3(CC1)C1(C2)OC1CCC3(C)C	0.68	1.0
Compound_401	CC1(O)CCC2C(=CCCC2(C)C)C1	0.76	1.0
Compound_402	CC1(O)CCC2C(=C1)CCCC2(C)C	0.18	0.0
Compound_403	CC1(O)CCC2C3(C1)OC3CCC2(C)C	0.38	0.0
Compound_404	C[C@@H]1CC[C@@H]2[C@@]31CC[C@@]1([C@H](C3)C2(C)C)CO1	0.75	1.0
Compound_405	CCCC1CCCC(=O)O1	0.97	1.0
Compound_406	CCCCC1CCC(=O)O1	0.92	1.0
Compound_407	CCCCCCCC(OC)OC	0.88	1.0
Compound_408	CCCCCCCC=Nc1ccccc1C(=O)OC	0.36	0.0
Compound_409	CCCCCCCC1OCCO1	0.9	1.0
Compound_410	CCCCCC(CC)O	0.89	1.0
Compound_411	CCCCCC=CC=O	0.83	1.0
Compound_412	CCC=CCCC(=O)C	0.58	1.0
Compound_413	CCCCCCCCOC(=O)C	0.96	1.0
Compound_414	CCCCCCCC(OC(=O)C)COC(=O)C	0.32	0.0
Compound_415	CCCCCCCCOC(=O)C=CC	0.94	1.0
Compound_416	CCCCCCCCOC(=O)CCC	0.95	1.0
Compound_417	CCCCCCCCOC=O	0.98	1.0
Compound_418	CCCCCCCCOC(=O)C(C)C	0.94	1.0
Compound_419	CCCCCCCCOC(=O)c1ccccc1O	0.98	1.0
Compound_420	O=C1CCCCCCCC=CCCCCCCO1	0.96	1.0
Compound_421	O=C1CCCCCCCCOCCCCCCO1	0.87	1.0
Compound_422	CC(=O)CCc1ccc(cc1)OC(=O)C	0.99	1.0
Compound_423	CCCCCCCCC=CCCCCCCCCOCCO	0.99	1.0
Compound_424	CC(C(CC1C(C)CCCC1(C)C)C)O	0.4	0.0
Compound_425	CC1=C(C(=O)C)C(C(C1)(C)C)(C)C	0.57	1.0
Compound_426	CC(=O)C(=C(C(C(C)(C)C)C)C)C	0.91	1.0
Compound_427	CCC(=O)C(=O)C	0.87	1.0
Compound_428	CCC=CCO	0.92	1.0
Compound_429	CCC(C=C)O	0.97	1.0
Compound_430	OCC1=CCC(CC1)C(=C)C	0.36	0.0
Compound_431	O=CC1=CCC(CC1)C(=C)C	0.74	1.0
Compound_432	O=C(c1ccccc1N)OCCc1ccccc1	0.44	0.0
Compound_433	O=C(c1ccccc1)OCCc1ccccc1	0.9	1.0
Compound_434	CCCC(=O)OCCc1ccccc1	0.97	1.0
Compound_435	OCCCc1ccccc1	0.79	1.0
Compound_436	O=C(/C=C/c1ccccc1)OCCc1ccccc1	0.95	1.0
Compound_437	C/C=C/C(=O)OCCc1ccccc1	0.97	1.0
Compound_438	CCC(C(=O)OCCc1ccccc1)CC	0.94	1.0
Compound_439	O=COCCc1ccccc1	0.92	1.0
Compound_440	O=C(C(C)C)OCCc1ccccc1	0.92	1.0
Compound_441	S=C=NCCc1ccccc1	0.2	0.0
Compound_442	CC(CC(=O)OCCc1ccccc1)C	0.94	1.0
Compound_443	CC(=C)C(=O)OCCc1ccccc1	0.99	1.0
Compound_444	CCC(CCc1ccccc1)(O)C	0.71	1.0
Compound_445	CCC(OC(=O)C)(CCc1ccccc1)C	0.79	1.0
Compound_446	O=C(C(C)(C)C)OCCc1ccccc1	0.9	1.0
Compound_447	O=C(c1ccccc1O)OCCc1ccccc1	0.98	1.0
Compound_448	CC=C(C(=O)OCCc1ccccc1)C	0.92	1.0
Compound_449	O=CCOc1ccccc1	0.98	1.0
Compound_450	CCC(=O)OCCOc1ccccc1	0.99	1.0
Compound_451	O=CCc1ccccc1	0.68	1.0
Compound_452	CCOC(Cc1ccccc1)OCC	0.93	1.0
Compound_453	CC(=CCO[C@@H](Cc1ccccc1)OC/C=C(/CCC=C(C)C)\C)CCC=C(C)C	0.45	0.0
Compound_454	CC(CCC=C(C)C)CCOC(Cc1ccccc1)OCCC(CCC=C(C)C)C	0.51	1.0
Compound_455	CC(CCOC(Cc1ccccc1)OCCC(C)C)C	0.77	1.0
Compound_456	C1COC(O1)Cc1ccccc1	0.76	1.0
Compound_457	OC1COC(OC1)Cc1ccccc1	0.84	1.0
Compound_458	OCC1COC(O1)Cc1ccccc1	0.6	1.0
Compound_459	CC1OC(Cc2ccccc2)OC(C1)(C)C	0.73	1.0
Compound_460	CC1OC(OC(C1C)C)Cc1ccccc1	0.86	1.0
Compound_461	O/N=C/Cc1ccccc1	0.42	0.0
Compound_462	COc1ccccc1c1ccccc1	0.98	1.0
Compound_463	O=CCOCCc1ccccc1	0.98	1.0
Compound_464	c1ccc(cc1)CC(n1ccc2c1cccc2)n1ccc2c1cccc2	0.32	0.0
Compound_465	c1ccc(cc1)CCc1ccccn1	0.83	1.0
Compound_466	CC(c1ccccc1)/C=C/C(=O)C	0.96	1.0
Compound_467	C/C(=C/CC(=O)C)/c1ccccc1	0.67	1.0
Compound_468	OCCCCCc1ccccc1	0.87	1.0
Compound_469	CCCC(Cc1ccccc1)O	0.7	1.0
Compound_470	CC(=COC(=O)C)c1ccccc1	0.94	1.0
Compound_471	CCC(c1ccccc1)OC(=O)C	0.98	1.0
Compound_472	c1ccc(cc1)CCCc1ccccn1	0.83	1.0
Compound_473	c1ccc(cc1)CCCc1ccncc1	0.97	1.0
Compound_474	C1COC(C1)CCCc1ccccc1	0.9	1.0
Compound_475	CC(C(O)(C)C)(O)C	0.67	1.0
Compound_476	CC1(O)CCC2CC1C2(C)C	0.22	0.0
Compound_477	CC1CCC(CCC1C(=O)C)(C)C	0.87	1.0
Compound_478	C=C1C(O)CC2CC1C2(C)C	0.64	1.0
Compound_479	CC(=O)OC1CC2CC(C1=C)C2(C)C	0.37	0.0
Compound_480	CC(=O)OCc1ccc2c(c1)OCO2	0.93	1.0
Compound_481	CC(=O)CCc1ccc2c(c1)OCO2	0.97	1.0
Compound_482	O=C(c1ccccc1)OCC=C(C)C	0.57	1.0
Compound_483	C/C=C/c1cc(ccc1C)C(C)C	0.97	1.0
Compound_484	CCCOC(=O)c1ccccc1	0.98	1.0
Compound_485	CCCOC(=O)CCC	0.98	1.0
Compound_486	CCCOC(=O)c1cc(O)c(c(c1)O)O	0.67	1.0
Compound_487	CC/C=C/1\OC(=O)c2c1cccc2	0.91	1.0
Compound_488	CCCCCCCC(=O)OCCC	0.96	1.0
Compound_489	CCCOC(=O)Cc1ccccc1	0.97	1.0
Compound_490	CCCOC(=O)CC	0.98	1.0
Compound_491	CCCCC(=O)OCCC	0.98	1.0
Compound_492	C[C@@H]1CCC(=C(C)C)C(=O)C1	0.14	0.0
Compound_493	OC(=O)C(=O)C	0.14	0.0
Compound_494	COc1cccc(c1)OC	0.85	1.0
Compound_495	OCC[C@H](CCCC(=C)C)C	0.68	1.0
Compound_496	CC(CCOC(=O)C)CCCC(=C)C	0.83	1.0
Compound_497	CCCC(=O)OCCC(CCCC(=C)C)C	0.94	1.0
Compound_498	O=COCCC(CCCC(=C)C)C	0.9	1.0
Compound_499	CC(CCOC(=O)C(C)C)CCCC(=C)C	0.82	1.0
Compound_500	CC(CCOC(=O)CC(C)C)CCCC(=C)C	0.81	1.0
Compound_501	CC(CCOC(=O)Cc1ccccc1)CCCC(=C)C	0.82	1.0
Compound_502	CCC(=O)OCCC(CCCC(=C)C)C	0.94	1.0
Compound_503	CC=CC(=O)C1C(=CCCC1(C)C)C	0.51	1.0
Compound_504	C/C=C/C(=O)C1=C(C)C=CCC1(C)C	0.73	1.0
Compound_505	C/C=C/C(=O)C1CCC(C=C1C)(C)C	0.51	1.0
Compound_506	CC1CCOC(C1)C=C(C)C	0.22	0.0
Compound_507	O=Cc1ccccc1O	0.97	1.0
Compound_508	CC(=CCCC1(C)C2CCC(C1=C)C2)C	0.58	1.0
Compound_509	OC/C(=C\CCC1(C)C2CC3C1(C)C3C2)/C	0.11	0.0
Compound_510	OC/C(=C\CCC1(C)C2CCC(C1=C)C2)/C	0.31	0.0
Compound_511	CCCC(=O)OC/C(=C/CCC1(C)C2CC3C1(C)C3C2)/C	0.89	1.0
Compound_512	CCCC(=O)OC/C(=C/CCC1(C)C2CCC(C1=C)C2)/C	0.94	1.0
Compound_513	O=CC1CC2C(C1)C1CC2CC1OC	0.89	1.0
Compound_514	C=C[C@@](CC[C@H]1[C@](C)(O)CCC2[C@]1(C)CCCC2(C)C)(O)C	0.45	0.0
Compound_515	Cc1c[nH]c2c1cccc2	1.0	1.0
Compound_516	CCC(=O)OC(c1ccccc1)C	0.97	1.0
Compound_517	CC(=O)OC=Cc1ccccc1	0.98	1.0
Compound_518	O=CCc1ccc(cc1)C	0.81	1.0
Compound_519	CCCCC1COCC(C1OC(=O)C)C	0.62	1.0
Compound_520	CC1=CC=C(CC1)C(C)C	0.29	0.0
Compound_521	CC1=CCC(=CC1)C(C)C	0.27	0.0
Compound_522	CC1=CCC(CC1)(O)C(C)C	0.1	0.0
Compound_523	O=COC(C1CCC(=CC1)C)(C)C	0.34	0.0
Compound_524	CCC(=O)OC(C1CCC(=CC1)C)(C)C	0.53	1.0
Compound_525	Cc1ccc(cc1)OC1CCCCO1	0.98	1.0
Compound_526	C[C@@H]1CCc2c(C1)occ2C	0.8	1.0
Compound_527	CC1CCC2=C(C(=O)OC2C1)C	0.54	1.0
Compound_528	CCC(=O)C1CCC(c2c1cccc2)(C)C	0.77	1.0
Compound_529	O=CCC(CCCC(C)C)C	0.82	1.0
Compound_530	CC1CC(=O)c2c1c1c(cc2C)C(CC1(C)C)(C)C	0.99	1.0
Compound_531	O1COC2C(C1)Cc1c2cccc1	0.92	1.0
Compound_532	CCC(CCCC(O)(C)C)C	0.55	1.0
Compound_533	C=CC1(C)CCC(O1)C(=C)C	0.95	1.0
Compound_534	CC1OC(CC(=C)C1)c1ccccc1	0.92	1.0
Compound_535	CC(CC1OCCC(C1)(C)O)C	0.62	1.0
Compound_536	CC1CCNc2c1cccc2	0.14	0.0
Compound_537	Cc1ccc2c(c1)CCCN2	0.1	0.0
Compound_538	CC(CCCC(C(=C)O)C)C	0.25	0.0
Compound_539	CCC(OC(=O)C)(CCCC(C)C)C	0.77	1.0
Compound_540	CCC(CCCC(OC(=O)C)(C)C)C	0.77	1.0
Compound_541	O=CCc1cccc2c1CCCC2	0.83	1.0
Compound_542	OCCC1CCCc2c1cccc2	0.76	1.0
Compound_543	OCCC1CCc2c(C1)cccc2	0.76	1.0
Compound_544	OC1CCCc2c1cccc2	0.9	1.0
Compound_545	O=Cc1ccc2c(c1)C(C)(C)C(CC2(C)C)C	0.99	1.0
Compound_546	CC/C=C/CC1CCCC(=O)O1	0.98	1.0
Compound_547	CCCCCC(C1CCCO1)OC(=O)C	0.94	1.0
Compound_548	C[C@@]1(O)[C@]2(C)CC[C@@H](C1(C)C)C2	0.17	0.0
Compound_549	O=CC(CC1=CCC2CC1C2(C)C)(C)C	0.86	1.0
Compound_550	CC(CCC1C(C)CCCC1(C)C)O	0.35	0.0
Compound_551	O=COC(C1CC=C(CC1(C)C)C)C	0.61	1.0
Compound_552	CC(CCC1=C(C)CCCC1(C)C)O	0.05	0.0
Compound_553	OCC(CCC1CC=C(C1(C)C)C)C	0.1	0.0
Compound_554	N#CC(C/C=C(/CCC=C(C)C)\C)(C)C	0.28	0.0
Compound_555	C[C@@H](CCCC(=CCOC(=O)C)C)CCC[C@@H](CCCC(C)C)C	0.94	1.0
Compound_556	O=CC(C(CC(C)(C)C)C)C	0.95	1.0
Compound_557	CC(C(=C)C(C(C)(C)C)C)C(=O)C	0.93	1.0
Compound_558	C=CC(=CCC(C(=O)C(C)C)(C)C)C	0.75	1.0
Compound_559	CC1CCC2(O1)C(=CCCC2(C)C)C	0.8	1.0
Compound_560	CC1CCC2OC2(CCC2C1CC2(C)C)C	0.68	1.0
Compound_561	Cc1nc(C)c(nc1C)C	0.94	1.0
Compound_562	CC([C@@]12CC[C@@]([C@@H]2C1)(C)O)C	0.09	0.0
Compound_563	CC(=O)Oc1cc(C)ccc1C(C)C	0.9	1.0
Compound_564	O=Cc1cccc(c1)C	0.96	1.0
Compound_565	O=Cc1ccccc1C	0.95	1.0
Compound_566	O=Cc1ccc(cc1)C	0.97	1.0
Compound_567	CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC	0.08	0.0
Compound_568	CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC	0.06	0.0
Compound_569	O=C1CC2CC1C1C2CCC1	0.89	1.0
Compound_570	O=CCCC=C1CC2CC1C1C2CCC1	0.82	1.0
Compound_571	C1=CC2C(C1)C1CC2C2C1C1C=CC2C1	0.9	1.0
Compound_572	CCCCCCCCCCCCC=O	0.96	1.0
Compound_573	CCCCCCCCCCCC(=O)C	0.96	1.0
Compound_574	CCCCCCCCCCC=CC=O	0.97	1.0
Compound_575	CCCCCCCCCCC=CC#N	0.98	1.0
Compound_576	Cc1ccc(cc1)C(O)(C)C	0.97	1.0
Compound_577	CC(C1C2CCC(C1(C)C)C2)O	0.22	0.0
Compound_578	CC1=CC(O)C2CC1C2(C)C	0.66	1.0
Compound_579	CC1=CC(=O)C2CC1C2(C)C	0.95	1.0
Compound_580	OCC1CC2C(C=C1C)C2(C)C	0.31	0.0
Compound_581	CC(=O)OCC1CC2C(C=C1C)C2(C)C	0.69	1.0
Compound_582	OCCO[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C	0.14	0.0
Compound_583	CC(=O)CCC1=C(C)C=CCC1(C)C	0.18	0.0
Compound_584	CC1CC(CC(=O)O)CC(C1)(C)C	0.1	0.0
Compound_585	O=CCC1=C(C)CCCC1(C)C	0.73	1.0
Compound_586	O=CCC1C(=CCCC1(C)C)C	0.16	0.0
Compound_587	O=CC1C(=CCCC1(C)C)C	0.64	1.0
Compound_588	O=CC1CC(=CC(C1C)C)C	0.34	0.0
Compound_589	O=CC1=C(C)CCCC1(C)C	0.96	1.0
Compound_590	CC1=CC(O)CC(C1)(C)C	0.08	0.0
Compound_591	N#C/C=C/C1=C(C)CCCC1(C)C	0.9	1.0
Compound_592	CC(=O)CC(=O)C1=C(C)CCCC1(C)C	0.66	1.0
Compound_593	CC(=O)CCC1=C(C)CCCC1(C)C	0.68	1.0
Compound_594	CC(=O)C=CC1CC(=CC(C1C)C)C	0.35	0.0
Compound_595	CC1=CC(C)C(C(C1)C(=O)C)C	0.33	0.0
Compound_596	CCC(=O)CCC1C(=CCCC1(C)C)C	0.79	1.0
Compound_597	CCC(=O)/C=C/C1C(C)CC(=CC1C)C	0.54	1.0
Compound_598	CCC(=O)/C=C/C1CC(=CC(C1C)C)C	0.48	0.0
Compound_599	CC1CC(CC(=O)C2CCCC2=O)CC(C1)(C)C	0.24	0.0
Compound_600	CC(=O)OCC1C(C)CCC(C1C)C	0.83	1.0
Compound_601	CC1CC(C)C(C(C1)C)COC(=O)C	0.64	1.0
Compound_602	CC(=O)OC(C1CCCC(C1)(C)C)C	0.71	1.0
Compound_603	O=COC(C1CCCC(C1)(C)C)C	0.82	1.0
Compound_604	N#CCC1CC=C(C1(C)C)C	0.68	1.0
Compound_605	O=CC(C/C=C(/CCCC(=C)C)\C)C	0.24	0.0
Compound_606	CC/C(=C/C=C/C(CC(=O)C)(C)C)/C	0.57	1.0
Compound_607	CCC(=O)C(C(=O)C(CC=C(C)C)C)C	0.79	1.0
Compound_608	C=CC(=CCC=C(CCC=C(C=O)C)C)C	0.19	0.0
Compound_609	C=CC(=CCC=C(CCC=C(C)C)C)C	0.09	0.0
Compound_610	O=COCCC(CC(C)(C)C)C	0.67	1.0
Compound_611	CCC(=O)OCCC(CC(C)C)(C)C	0.82	1.0
Compound_612	CC(=CCC1C(=O)C(C)CC2C1C2(C)C)C	0.91	1.0
Compound_613	CC1=CCCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C	0.81	1.0
Compound_614	CC(CCC1C(=C)CCCC1(C)C)O	0.08	0.0
Compound_615	CC(OC(=O)C)CCC1C(=C)CCCC1(C)C	0.37	0.0
Compound_616	C=CC1(C)CCC(CC1C(=C)C)C(OC(=O)C)(C)C	0.27	0.0
Compound_617	CC(CCCC=C(C(C)(C)C)O)C	0.17	0.0
Compound_618	CC(=O)/C=C/C12OC2(C)CCCC1(C)C	0.92	1.0
Compound_619	CC1=CCCC2(C)OC2CC/C(=C/CC1)/C	0.17	0.0
Compound_620	CC12OC1CCC=CCCC=CCC2(C)C	0.34	0.0
Compound_621	CC(=CCCC(=CCCC(=O)C)C)CCC=C(C)C	0.09	0.0
Compound_622	CCCCCC1(C)CCC(C1=O)(C)C	0.86	1.0
Compound_623	CCCCCC1OC(C)CC(O1)(C)C	0.72	1.0
Compound_624	Cc1ccc(cc1)CC(O)(C)C	0.78	1.0
Compound_625	CC1(OCC(CO1)(C)C)c1ccccc1	0.58	1.0
Compound_626	CC1OC(C)OC(C1)(C)c1ccccc1	0.85	1.0
Compound_627	CCCC(CCC1C(C)CCCC1(C)C)O	0.44	0.0
Compound_628	Cc1cnc(c(n1)C)C	0.96	1.0
Compound_629	CC1CCC2CC1SC2(C)C	0.51	1.0
Compound_630	CC12CCCC(C2)(O)C2C(CC1)C(C2)(C)C	0.29	0.0
Compound_631	CC(=O)OC12CCCC(C1)(C)CCC1C2CC1(C)C	0.69	1.0
Compound_632	O=COC12CCCC(C1)(C)CCC1C2CC1(C)C	0.66	1.0
Compound_633	O=CC(CCC=C(CCC=C(C)C)C)C	0.09	0.0
Compound_634	OCC(CC/C=C(/CCC=C(C)C)\C)C	0.15	0.0
Compound_635	O=CC(CCCC(CCC=C(C)C)C)C	0.69	1.0
Compound_636	CCCCCC/C=C/C=C/C=O	0.8	1.0
Compound_637	CCCCCCC1CCCC(=O)O1	0.97	1.0
Compound_638	O=C1CCCCCCCCCCO1	0.97	1.0
Compound_639	CCCCC/C=C/C=C/C=C	0.96	1.0
Compound_640	CCCCCCCCC=CC=O	0.97	1.0
Compound_641	CCC=CCCCCCCC=O	0.96	1.0
Compound_642	O=CCCCCCCC/C=C/C	0.85	1.0
Compound_643	C=CCCCCCCCCC=O	0.98	1.0
Compound_644	CCCCCCCC/C=C/C#N	0.98	1.0
Compound_645	CCCCCCCCC=CCO	0.97	1.0
Compound_646	OCCCCCCCCCC=C	0.94	1.0
Compound_647	C=CCCCCCCCCCOC(=O)C	0.97	1.0
Compound_648	CCCCC1OC(C)CC(O1)(C)C	0.64	1.0
Compound_649	CC1CCC(=O)O1	0.75	1.0
Compound_650	COc1cc(C=O)ccc1OC	0.91	1.0
Compound_651	CC(=O)OC1CC2CC1C1C2CC=C1	0.99	1.0
Compound_652	CCC(=O)OC1CC2CC1C1C2C=CC1	0.98	1.0
Compound_653	O=CC1(C)CCC(=CC1)CCCC(C)C	0.74	1.0
Compound_654	COc1cc(CCC(=O)C)ccc1O	0.95	1.0
Compound_655	OCC1(C)CCCC2(C1CC=C1C2CCC(=C1)C(C)C)C	0.39	0.0
Compound_656	OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C	0.02	0.0
Compound_657	NC(=O)CC[C@@H](C(=O)O)NC(=O)C	0.01	0.0
Compound_658	CCCCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCCCC)CC(=O)OCCCCCC	0.44	0.0
Compound_659	OC(=O)C(Cc1ccc(cc1)O)NC(=O)C	0.04	0.0
Compound_660	CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)C	0.5	0.0
Compound_661	O=N(=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)[O-])Nc1ccccc1)S(=O)(=O)c1ccc(c(c1)N(=O)=O)Nc1ccc(c(c1)S(=O)(=O)[O-])Nc1ccccc1	0.92	1.0
Compound_662	O=N(=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)[O-])Nc1ccccc1)N(=O)=O	0.89	1.0
Compound_663	Cc1ccc(c(c1)C)NN=C1C(=O)C=C/C(=N/Nc2ccc(cc2)S(=O)(=O)[O-])/C1=O	0.31	0.0
Compound_664	O=C1C=Cc2c(C1=NNc1ccc(cc1)N=Nc1ccccc1)c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.97	1.0
Compound_665	OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2N	0.02	0.0
Compound_666	OC1C(O)C(OC1n1cnc2c1ncnc2N)COP(=O)(O)O	0.02	0.0
Compound_667	OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1ncnc2N	0.03	0.0
Compound_668	OC[C@H]1O[C@@H](O[C@@H]2[C@@H]3CO[C@H]2[C@@H]([C@@H](O3)O)O)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@H]2CO[C@@H]([C@@H]1O)[C@@H]2O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O	0.36	0.0
Compound_669	C[C@@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)N	0.01	0.0
Compound_670	OCCCCCCC(C(CCCCCCCC(=O)O)O)O	0.46	0.0
Compound_671	[O-]S(=O)CCN	0.22	0.0
Compound_672	NCCOS(=O)(=O)O	0.07	0.0
Compound_673	OCCNc1ccc(c(c1)N)OC	0.06	0.0
Compound_674	Oc1ccc(c(c1)C)N	0.99	1.0
Compound_675	Cc1ccc(c(c1)O)N	0.92	1.0
Compound_676	O=N(=O)c1cccc(c1N)O	0.91	1.0
Compound_677	N	0.94	1.0
Compound_678	CCCCCCCCOCCOS(=O)(=O)[O-]	0.82	1.0
Compound_679	CC(c1ccccc1S(=O)(=O)[O-])C	0.61	1.0
Compound_680	CCCCCCCCCCCCOCCOS(=O)(=O)O	0.48	0.0
Compound_681	OP(=O)(F)O	0.57	1.0
Compound_682	CCCCCCCCCCCCCCOCCCCCCCCCCCCCC	0.96	1.0
Compound_683	CCCCCCCCCc1ccc(cc1)OCCOS(=O)(=O)[O-]	0.75	1.0
Compound_684	[O-]S(=O)(=O)OOS(=O)(=O)[O-]	0.14	0.0
Compound_685	Oc1ccccc1S(=O)(=O)[O-]	0.29	0.0
Compound_686	Cc1ccc(c(c1)C)S(=O)(=O)[O-]	0.35	0.0
Compound_687	OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O)[C@@H]([C@H]([C@@H]2O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	0.29	0.0
Compound_688	CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O	0.61	1.0
Compound_689	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC	0.95	1.0
Compound_690	CCCCCCCCCCCCCCCCCCC(CO)O	0.94	1.0
Compound_691	CCCCCCCCCCCCCCCCCCCCOC(=O)CC	0.96	1.0
Compound_692	CCCCCCCCCCCCCCCC(=O)O[C@H]([C@H]1OC(=O)C(=C1OC(=O)CCCCCCCCCCCCCCC)O)CO	0.33	0.0
Compound_693	OC[C@]1(C)[C@@H](O)[C@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@H](CC1)C)C(=O)O)C)C	0.08	0.0
Compound_694	c1ccc2c(cc1)ccc2	0.96	1.0
Compound_695	CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC	0.6	1.0
Compound_696	CN(c1ccc2c(c1)[o+]c1c(n2)c2ccccc2cc1)C	0.75	1.0
Compound_697	CCNc1ccc(c2c1cccc2)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC	0.55	1.0
Compound_698	OCCN(c1ccc(cc1)N=Nc1sc2c([n+]1C)ccc(c2)OC)CC	0.11	0.0
Compound_699	CN(Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N)C	0.08	0.0
Compound_700	NC1=C2C(=O)C(=CC(=C2C(=O)C(=C1)Br)N)Nc1cccc(c1)[N+](C)(C)C	0.03	0.0
Compound_701	Cc1ccc(cc1N=Nc1cc(C)c(cc1N)N)N=Nc1cc(C)c(cc1N)N	0.59	1.0
Compound_702	Nc1ccc(c(c1)N(=O)=O)NN=C1C(=O)C=Cc2c1cc(cc2)[N+](C)(C)C	0.42	0.0
Compound_703	CCN(c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccccc1)CC	0.45	0.0
Compound_704	Nc1cc(N)c(cc1N=Nc1ccccc1)C	0.48	0.0
Compound_705	CN(c1ccc(cc1)N=Nc1n(C)nc[n+]1C)C	0.52	1.0
Compound_706	CN1C=N[NH+](C1N=Nc1ccc(cc1)N(Cc1ccccc1)C)C	0.14	0.0
Compound_707	COc1ccc(c(c1)OC)[NH+]=CC=C1N(C)c2c(C1(C)C)cccc2	0.12	0.0
Compound_708	COc1ccc(cc1)N(N=CC1=[N+](C)c2c(C1(C)C)cccc2)C	0.55	1.0
Compound_709	CCCCCCCCCCCCCCCCCCOCC(CO)O	0.9	1.0
Compound_710	CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO	0.74	1.0
Compound_711	CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C	0.34	0.0
Compound_712	CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC)(C)C	0.1	0.0
Compound_713	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)C)O	0.05	0.0
Compound_714	CCCCCCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1	0.98	1.0
Compound_715	CCCCCCCCCCCCCCCCCCCCCC1=NCCN1CCO	0.2	0.0
Compound_716	O=C1OC(=Cc2ccccc2)c2c1cccc2	0.97	1.0
Compound_717	CC(=O)Oc1ccc(c(c1)OC(=O)C)OC(=O)C	0.46	0.0
Compound_718	Clc1ccc(c(c1)C(=O)c1ccccc1)O	0.99	1.0
Compound_719	COc1cc(O)c(cc1S(=O)(=O)[O-])C(=O)c1cc(c(cc1O)OC)S(=O)(=O)[O-]	0.82	1.0
Compound_720	COc1ccc(c(c1)O)C(=O)c1ccc(cc1)C	1.0	1.0
Compound_721	O=C(c1ccccc1)Oc1cccc2c1nccc2	0.54	1.0
Compound_722	O=C(c1cccnc1)OCc1ccccc1	0.05	0.0
Compound_723	CC[N+](Cc1ccccc1)(CC)CC	0.18	0.0
Compound_724	O=C1C(=Cc2ccc(cc2)S(=O)(=O)O)C2C(C1(C)CC2)(C)C	0.51	1.0
Compound_725	Oc1ccc(cc1)C(=O)OCc1ccccc1	1.0	1.0
Compound_726	OC[C@H]1O[C@@H](Oc2cc3C[C@H](N(c3cc2O)C=CC2=CC(=[NH+][C@@H](C2)C(=O)O)C(=O)O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O	0.01	0.0
Compound_727	OC(=O)CCN(CC(=O)O)CC(=O)O	0.03	0.0
Compound_728	CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C)C	0.53	1.0
Compound_729	OC1CC2C(C1(C)CC2)(C)C	0.12	0.0
Compound_730	O=C/C(=C\c1ccccc1)/Br	0.92	1.0
Compound_731	CCCCCC[C@@H](OC(=O)C)CC=CCCCCCCCC(=O)OCCCC	0.41	0.0
Compound_732	CCCCOC(=O)CCCCCCCCCCCCCCC(C)C	0.92	1.0
Compound_733	CCCCCCCCCCCCCC(=O)OCCCC	0.95	1.0
Compound_734	CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC	0.96	1.0
Compound_735	CCCCOC(=O)CS	0.98	1.0
Compound_736	CCCCCCC(C(=O)O)CCCC	0.96	1.0
Compound_737	CCCCCCOC(=O)C(OC(=O)CCC)(CC(=O)OCCCCCC)CC(=O)OCCCCCC	0.44	0.0
Compound_738	CCCCCCCCCCC(C)C	0.99	1.0
Compound_739	CCCCCCCCCCCCOC(=O)c1ccccc1	0.98	1.0
Compound_740	CCCCCCCCCCCCC(C)C	0.99	1.0
Compound_741	OCC(OP(=O)([O-])[O-])CO	0.45	0.0
Compound_742	COc1cc(CCCS(=O)(=O)[O-])ccc1OC(CS(=O)(=O)[O-])Cc1cccc(c1O)OC	0.65	1.0
Compound_743	FOP(=O)([O-])[O-]	0.9	1.0
Compound_744	CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]	0.68	1.0
Compound_745	OCC([C@H](C(=O)NCCC(=O)NCCSS(=O)(=O)[O-])O)(C)C	0.02	0.0
Compound_746	O=C1C(=Cc2ccc(cc2)[N+](C)(C)C)C2C(C1(C)CC2)(C)C	0.2	0.0
Compound_747	CCCCCCCCCC(=O)N(CCO)CCO	0.83	1.0
Compound_748	CCCCCCCCCCCCC/C=C/C(C(NC(=O)CCCCC)CO)O	0.26	0.0
Compound_749	CCCCCCCCCC1=NCCN1CCO	0.21	0.0
Compound_750	CCCCCCCCOCCO	0.98	1.0
Compound_751	CCCCCCCC(=O)Oc1ccccc1C(=O)O	0.73	1.0
Compound_752	CCCCCCCC1=NCCN1CCO	0.23	0.0
Compound_753	C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(/C=C/C(=O)[C@]1(C)C[C@H](CC1(C)C)O)\C	0.04	0.0
Compound_754	COC(=O)CCC[N+](C)(C)C	0.08	0.0
Compound_755	CCC(=O)OCC1OC(OC(=O)CC)C(C(C1OC1OC(COC(=O)CC)C(C(C1OC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC)OC(=O)CC	0.41	0.0
Compound_756	OCC(C(C(C(C=O)O)O)O)O	0.32	0.0
Compound_757	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	0.9	1.0
Compound_758	CCCCCCCCCCCCCCCCOCCOP(=O)(O)O	0.94	1.0
Compound_759	CCCCCCCCCCCCCCCC[N+]1(CC)CCOCC1	0.69	1.0
Compound_760	CCCCCCCCCCCCCCCCOCC(CO)O	0.9	1.0
Compound_761	CCCCCCCCCCCCCCC(CO)O	0.94	1.0
Compound_762	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC	0.95	1.0
Compound_763	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC	0.87	1.0
Compound_764	CCCCCCCCCCCCCCCCOP(=O)(O)O	0.95	1.0
Compound_765	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CC[C@@H](CCCCCC)O	0.72	1.0
Compound_766	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC	0.95	1.0
Compound_767	CCCCCCCCCCCCCCCCN	0.8	1.0
Compound_768	CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)CO	0.97	1.0
Compound_769	CCc1ccc(c2c(c1)c(C)cc2)C	0.98	1.0
Compound_770	COC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N)O)O)CO)O[C@@H]1[C@@H](CO)O[C@H]([C@@H]([C@H]1O)N)O[C@@H]1[C@@H](CO)O[C@H]([C@@H]([C@H]1O)N)O	0.01	0.0
Compound_771	OCCNc1cc(N(=O)=O)c(cc1Cl)N	0.24	0.0
Compound_772	Nc1ccc(c(c1)Cl)N	0.97	1.0
Compound_773	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C	0.43	0.0
Compound_774	CCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C	0.43	0.0
Compound_775	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)Cl)C)C	0.89	1.0
Compound_776	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)c1ccc(cc1Cl)Cl)C)C	0.44	0.0
Compound_777	CCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.34	0.0
Compound_778	CCCCCCCCC=CCCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C	0.34	0.0
Compound_779	CCCCCCCCC=CCCCCCCCCOC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.48	0.0
Compound_780	CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C	0.34	0.0
Compound_781	OCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.26	0.0
Compound_782	O=Nc1c([O-])ccc2c1cccc2	0.96	1.0
Compound_783	O=N(=O)c1cc(N(=O)=O)c2c(c1[O-])cc(cc2)S(=O)(=O)[O-]	0.96	1.0
Compound_784	COc1ccc(c(c1)N(=O)=O)N=NC(C(=O)Nc1ccccc1C)C(=O)C	0.87	1.0
Compound_785	Nc1ccc(cc1S(=O)(=O)[O-])N=Nc1ccc(cc1)S(=O)(=O)[O-]	0.98	1.0
Compound_786	O=C1C(=NNc2ccc(c3c2cccc3)S(=O)(=O)[O-])C=C(c2c1cccc2)S(=O)(=O)[O-]	0.93	1.0
Compound_787	O=C1C=Cc2c(C1=NNc1ccc(c3c1cccc3)S(=O)(=O)[O-])cccc2	0.97	1.0
Compound_788	O=C1C=Cc2c(C1=NNc1cccc(c1)S(=O)(=O)[O-])ccc(c2)S(=O)(=O)[O-]	0.93	1.0
Compound_789	O=C1/C(=N/Nc2ccc(c3c2cccc3)S(=O)(=O)[O-])/c2ccc(cc2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.94	1.0
Compound_790	O=C1C=Cc2c(C1=NNc1ccccc1)c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.89	1.0