Index	SMILES	Probability	Label
Compound_1	CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)O	0.73	1.0
Compound_2	CCCCCCCCCCCCCC(=O)OCC(CO)O	0.59	1.0
Compound_3	CCCCCCCCCCCCCCC(=O)OCC(CO)O	0.59	1.0
Compound_4	SCCC(=O)OCC(CO)O	0.61	1.0
Compound_5	CCCCCCC(OC(=O)C)CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC(OC(=O)C)CCCCCC)COC(=O)CCCCCCC/C=C/CC(OC(=O)C)CCCCCC	0.51	1.0
Compound_6	OCCOCC1CCCO1	0.98	1.0
Compound_7	OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	0.29	0.0
Compound_8	CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC	0.49	0.0
Compound_9	CCCCCCCCC=CCCCCCCCC(=O)OCCOC(=O)CCCCCCC/C=C/CCCCCCCC	0.63	1.0
Compound_10	CCCCCCCCCCCCCCCCC(C(=O)OC(O)C)O	0.33	0.0
Compound_11	CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCO	0.97	1.0
Compound_12	CCCCCCCCC=CCCCCCCCC(=O)OCCO	0.92	1.0
Compound_13	CCCCCCCCCCCCCCCC(=O)OCCO	0.97	1.0
Compound_14	CCCCCC[C@H](CC=CCCCCCCCC(=O)OCCO)O	0.51	1.0
Compound_15	OCCOC(=O)c1ccccc1O	0.68	1.0
Compound_16	CCCCCCCCCCCCCCCCCC(=O)OCC(=O)N	0.31	0.0
Compound_17	NCC(=O)NCC(=O)O	0.03	0.0
Compound_18	NC(=N)N	0.05	0.0
Compound_19	CNc1nc(OC)ccc1N	0.13	0.0
Compound_20	NCCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC	0.06	0.0
Compound_21	Nc1ccc(c(c1N)N=Nc1ccccc1)N=Nc1ccc(c2c1cccc2)N=Nc1cccc(c1)[N+](C)(C)C	0.42	0.0
Compound_22	Cc1cc(ccc1N=Nc1ccc(c(c1N=Nc1ccccc1)N)N)N=Nc1cccc(c1)[N+](C)(C)C	0.2	0.0
Compound_23	OCCNC1=CC(=O)C(=CC1=O)Nc1ccc(cc1)N(CCO)CCO	0.01	0.0
Compound_24	Oc1ccc(cc1)Nc1ccccc1N(=O)=O	0.92	1.0
Compound_25	Nc1ccc(c(c1)N(=O)=O)Nc1ccccc1	0.93	1.0
Compound_26	OCCNc1ccc(c(c1)N(=O)=O)N	0.15	0.0
Compound_27	CNc1ccc(cc1Cl)N=C1C=C(C)C(=O)C=C1NC(=O)N	0.03	0.0
Compound_28	OCCNc1ccccc1N(=O)=O	0.32	0.0
Compound_29	OCCN(c1ccc(cc1O)N(=O)=O)CCO	0.41	0.0
Compound_30	OCCNc1ccc(cc1N)N(=O)=O	0.15	0.0
Compound_31	OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO	0.02	0.0
Compound_32	COc1cc(N=C2C=CC(=O)C=C2Cl)c(cc1O)NC(=O)C	0.1	0.0
Compound_33	CCCCCCCCCC(CCCCCCC)CO	0.97	1.0
Compound_34	CCCCCCCCCCCCCCCCCCCCCCCCC(CO)O	0.94	1.0
Compound_35	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	0.8	1.0
Compound_36	OCCCCC(CO)O	0.88	1.0
Compound_37	CCCCCCOC(=O)c1cccnc1	0.6	1.0
Compound_38	CCCCCCCCC(C(=O)O)CCCCCC	0.96	1.0
Compound_39	CCCCCCCCC=CCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCC	0.93	1.0
Compound_40	O=C(c1ccccc1)NCC(=O)O	0.02	0.0
Compound_41	OO	0.77	1.0
Compound_42	NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CCCN=C(N)N)Cc1ccccc1	0.03	0.0
Compound_43	O=c1oc2c(s1)c(O)ccc2	0.92	1.0
Compound_44	Oc1ccc(c2c1C(=O)c1ccccc1C2=O)NCCC[N+]1(C)CCOCC1	0.01	0.0
Compound_45	Oc1ccc2c(c1)NCCO2	0.12	0.0
Compound_46	CCC(COC1C(OC2OC(COCC(CC)O)C(C(C2OCC(CC)O)OCC(CC)O)OCC(CC)O)C(COCC(CC)O)OC(C1OCC(CC)O)OCC(CC)O)O	0.68	1.0
Compound_47	CCCCCCCCC(C(=O)O)O	0.1	0.0
Compound_48	CCCCCCC(C(=O)O)O	0.1	0.0
Compound_49	CCCCCCCCCCCCCCC(C[N+](CCO)(C)C)O	0.16	0.0
Compound_50	CCCCCCCCCCCCCCC(COP(=O)(O)O)O	0.72	1.0
Compound_51	CCCCCCCCCCCCCCCC[N+](CCO)(C)C	0.43	0.0
Compound_52	CCCCCCCCCCCCCCCCCC(=O)NCC(OCCO)C	0.2	0.0
Compound_53	OCCNc1ccc(cc1OC)N(=O)=O	0.11	0.0
Compound_54	Oc1cccc2c1cc[nH]2	0.8	1.0
Compound_55	CCCCCCCCCCC(C(=O)O)O	0.09	0.0
Compound_56	OCC12COCN2COC1	0.18	0.0
Compound_57	CCCCCCCCCCCCCCCCCCCCCCCCCCC(COC(=O)CCCCCCCCCCC(CCCCCC)O)O	0.68	1.0
Compound_58	NC(=O)CNc1cccc(c1)O	0.02	0.0
Compound_59	OC1CNC(C1)C(=O)O	0.02	0.0
Compound_60	CCCCCCC(CCCCCCCCCCC(=O)NCCO)O	0.35	0.0
Compound_61	CC(COCC(O)C)C	0.73	1.0
Compound_62	CCCCCCCCCCCCCC(=O)OCC(C)C	0.94	1.0
Compound_63	CCCCCCCCCCCCCCCC(=O)OCC(C)C	0.94	1.0
Compound_64	CCCCCCCCC(=O)OCC(C)C	0.94	1.0
Compound_65	CCCCCCCCCCCCCCCCCC(=O)OCC(C)C	0.94	1.0
Compound_66	CC(CCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C)C	0.87	1.0
Compound_67	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C	0.92	1.0
Compound_68	CC(CCCCCCCOC(=O)CC(CC(C)(C)C)C)C	0.92	1.0
Compound_69	CCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C	0.92	1.0
Compound_70	CCCCCCCCCCOC(=O)C(C)(C)C	0.87	1.0
Compound_71	CCCCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C	0.92	1.0
Compound_72	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C	0.92	1.0
Compound_73	C=C(CC(C)(C)C)CC(C)(C)C	0.81	1.0
Compound_74	CCCCCCCCCCCC(=O)OC(CCCC)C	0.85	1.0
Compound_75	OCC([C@H]([C@@H]([C@@H](CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O	0.13	0.0
Compound_76	CCCCCCCCC(=O)NCCC[N+](CC)(C)C	0.1	0.0
Compound_77	O=C(CC(CC(C)(C)C)C)OCCC(CC(C)(C)C)C	0.89	1.0
Compound_78	OCC(C(C)C)O	0.4	0.0
Compound_79	CCCCCCCCCCCCCCCCCCCC(=O)OC(C)C	0.91	1.0
Compound_80	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C	0.91	1.0
Compound_81	CC(OC(=O)CC(C(=O)[O-])(CC(=O)[O-])O)C	0.15	0.0
Compound_82	CCCCCC=CCC=CCCCCCCCC(=O)OC(C)C	0.85	1.0
Compound_83	COc1ccc(cc1)C=CC(=O)OC(C)C	0.85	1.0
Compound_84	CCCCCC[C@H](CC=CCCCCCCCC(=O)OC(C)C)O	0.74	1.0
Compound_85	C/C=C/C=C/C(=O)OC(C)C	0.98	1.0
Compound_86	CCCCCCCCCCCCCCCCCC(=O)OC(C)C	0.91	1.0
Compound_87	O=C(c1ccccc1O)OCc1ccc(cc1)C(C)C	0.96	1.0
Compound_88	OCCN(C(=O)CCCCCCCCCCCCCCC(C)C)CCO	0.34	0.0
Compound_89	CC(CCCCCCCCCCCCCCC(=O)NCCCN(C)C)C	0.29	0.0
Compound_90	CC(CCCCCCCCCCCCCCC(=O)NCCC[N+](CC1CO1)(C)C)C	0.01	0.0
Compound_91	CC[N+](CCCNC(=O)CCCCCCCCCCCCCCC(C)C)(C)C	0.09	0.0
Compound_92	CC(CCCCCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C)C	0.03	0.0
Compound_93	CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C	0.84	1.0
Compound_94	OCCN1CCN=C1CCCCCCCCCCCCCCC(C)C	0.11	0.0
Compound_95	CC(CCCCCCCCCCCCCCCOC(=O)C(O)C)C	0.83	1.0
Compound_96	CC(CCCCCCCCCCCCCCCOC(=O)C(C)(C)C)C	0.93	1.0
Compound_97	CC(CCCCCCCCCCOC(=O)CC(CC(C)(C)C)C)C	0.92	1.0
Compound_98	OC(=O)CCC(=O)C(=O)O	0.08	0.0
Compound_99	c1coc(c1)CNc1ncnc2c1[nH]cn2	0.11	0.0
Compound_100	OCc1occ(c(=O)c1)O	0.9	1.0
Compound_101	OCCNC(=O)C(O)C	0.06	0.0
Compound_102	CC(=O)OCCO	0.86	1.0
Compound_103	CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1	0.13	0.0
Compound_104	CCCCCCCCCCCCCCCCCC(=O)OC(C(CO)O)O	0.63	1.0
Compound_105	CCCCCCCCCCCC(=O)N	0.72	1.0
Compound_106	CCCCCCCCCCCC(=O)NCCC[N+](CC(=O)N)(C)C	0.01	0.0
Compound_107	CCCCCCCCCCCCOCCOCCO	0.98	1.0
Compound_108	CCCCCCCCCCCCOCCOCCOCCO	0.97	1.0
Compound_109	CCCCCCCCCCCCOCCOCCOCCOCCO	0.97	1.0
Compound_110	CCCCCCCCCCCCOCCOCCOCCOCCOP(=O)(OCCOCCOCCOCCOCCCCCCCCCCCC)O	0.95	1.0
Compound_111	CCCCCCCCCCCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_112	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_113	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_114	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_115	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.72	1.0
Compound_116	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_117	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_118	CCCCCCCCCCCCOCCOCC(=O)O	0.84	1.0
Compound_119	CCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N	0.02	0.0
Compound_120	CCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.24	0.0
Compound_121	CCCCCCCCCCCCOC(=O)C(CCCC)CC	0.93	1.0
Compound_122	CCCCCCCCCCC(CO)O	0.94	1.0
Compound_123	CCCCCCCCCCCC1=NCCN1CCO	0.2	0.0
Compound_124	CCCCCCCCCCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.21	0.0
Compound_125	CCCCCCCCCCCC[n+]1ccc2c(c1)cccc2	0.03	0.0
Compound_126	CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC	0.95	1.0
Compound_127	CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC	0.95	1.0
Compound_128	CCCCCCCCCCCCOC(=O)C1CCC(=O)N1	0.29	0.0
Compound_129	CCOc1ccccc1C=C(c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)C#N	0.83	1.0
Compound_130	CCCCCCCCCCCC[N+](CCCS(=O)(=O)[O-])(C)C	0.43	0.0
Compound_131	NC(C(=O)O)CC(C)C	0.03	0.0
Compound_132	CCCCC/C=C/C/C=C/CCCCCCCC(=O)N(CCO)CCO	0.68	1.0
Compound_133	CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(N)C	0.75	1.0
Compound_134	OCCC(OP(=O)(O)O)CCO	0.4	0.0
Compound_135	OC(=O)CC(=O)O	0.25	0.0
Compound_136	OCN1C(=O)NC(=O)C1(C)C	0.06	0.0
Compound_137	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O	0.9	1.0
Compound_138	C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]1CCC(=O)N1)C(C)C	0.04	0.0
Compound_139	CC1CCC(C(C1)OC(=O)c1ccccc1O)C(C)C	0.58	1.0
Compound_140	OP1(=O)OP(=O)(O)OP(=O)(O1)O	0.07	0.0
Compound_141	COc1ccc(c(n1)N)N	0.17	0.0
Compound_142	CCCCCCC(OC(=O)C)CC=CCCCCCCCC(=O)OC	0.4	0.0
Compound_143	C[NH2+][C@@H](C(=O)[O-])CC(=O)[O-]	0.01	0.0
Compound_144	CCCCCCCCCCCCCCCCCCCCCC(=O)OC	0.95	1.0
Compound_145	COC(=O)[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C	0.73	1.0
Compound_146	COC(=O)C1(C)CCCC2(C1CC=C1C2CCC(C1)C(C)C)C	0.61	1.0
Compound_147	OCCOC[C@H]1O[C@@H](OC)C(C(C1OCCO)OCCO)OCCO	0.7	1.0
Compound_148	CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1OC(OC)[C@@H]([C@H]([C@@H]1O)O)OC(=O)CCCCCCCC=CCCCCCCCC	0.43	0.0
Compound_149	CCCCCCCC/C=C/CCCCCCCC1=NC(CO1)(C)CO	0.21	0.0
Compound_150	CCCCCCC(CCCCCCCCCCC(=O)OC)O	0.76	1.0
Compound_151	COC(=O)c1cccnc1	0.25	0.0
Compound_152	CCCCCC[C@H](CC=CCCCCCCCC(=O)OC)O	0.63	1.0
Compound_153	Cc1ccc2c(c1O)cccc2	0.99	1.0
Compound_154	OCCOc1ccc(c(c1)NC)N(=O)=O	0.53	1.0
Compound_155	Nc1ccc2c(c1)OCO2	0.96	1.0
Compound_156	Oc1ccc2c(c1)OCO2	0.97	1.0
Compound_157	CCCCCCCCCCCCCCOCCOC(=O)CCCCCCCCCCCCC	0.95	1.0
Compound_158	CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCC	0.95	1.0
Compound_159	CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCCC	0.95	1.0
Compound_160	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO	0.98	1.0
Compound_161	CCCCCCCCCCCCCC(=O)N(CCO)CCO	0.84	1.0
Compound_162	CCCCCCCCCCCCCC(=O)NCCO	0.74	1.0
Compound_163	CCCCCCCCCCCCCC(=O)NCC(O)C	0.19	0.0
Compound_164	CCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_165	CCCCCCCCCCCCCC(=O)NCCCN(C)C	0.34	0.0
Compound_166	CCCCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.13	0.0
Compound_167	CCCCCCCCCCCCCCNCCC(=O)[O-]	0.22	0.0
Compound_168	CCCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.18	0.0
Compound_169	CCCCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.24	0.0
Compound_170	CCCCCCCCCCCCCCOC(=O)C(CCCC)CC	0.93	1.0
Compound_171	CCCCCCCCCCCCCCOC(=O)C(O)C	0.8	1.0
Compound_172	CCCCCCCCCCCCCCOC(=O)CC	0.96	1.0
Compound_173	CC[NH+](c1ccc(c(c1)C)N)CC	0.11	0.0
Compound_174	Oc1cc2ccccc2cc1O	1.0	1.0
Compound_175	CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(C)C	0.73	1.0
Compound_176	CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)(C)C	0.73	1.0
Compound_177	OC1CC(O)C2(C(=CCC3C2CCC2(C3CC3C2C(C)C2(O3)CCC(=C)CO2)C)C1)C	0.27	0.0
Compound_178	CCNc1ccc(cc1N(=O)=O)C(=O)[O-]	0.27	0.0
Compound_179	NCCCCC(C(=O)NC1C(C)SCC2NC(=O)C(NC(=O)C(NC1=O)C)C(C)SCC(NC(=O)C(NC2=O)Cc1cnc[nH]1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)O)CCCCN)C(C)C)Cc1cnc[nH]1)C(CC)C)CO)NC(=O)C(NC(=O)C(NC(=O)C1CSC(C)C(NC(=O)C(NC(=O)C2CSC(C)C(NC(=O)C3CSCC(NC(=O)C(=CC)NC(=O)C(C(CC)C)N)C(=O)NC(C(CC)C)C(=O)NC(=C)C(=O)NC(C(=O)N3)CC(C)C)C(=O)N3C(C(=O)NCC(=O)N2)CCC3)CCCCN)C(=O)NCC(=O)NC(C)C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CCSC)CC(C)C)CC(=O)N)CCSC	0.01	0.0
Compound_180	OCCOc1ccc(c(c1)N(=O)=O)N	0.51	1.0
Compound_181	COc1cc(ccc1O)N(=O)=O	0.95	1.0
Compound_182	Nc1ccc(c(c1)N)N(=O)=O	0.94	1.0
Compound_183	OCCNc1ccc(cc1N(=O)=O)OC	0.09	0.0
Compound_184	O=N(=O)c1ccc(c(c1)N)N	0.93	1.0
Compound_185	OCCNc1ccc(cc1N(=O)=O)O	0.17	0.0
Compound_186	O=N#N	0.94	1.0
Compound_187	COCCNc1ccc(cc1)N	0.53	1.0
Compound_188	CNc1ccc(c(c1)N(=O)=O)N	0.91	1.0
Compound_189	OCCNc1ccc(c(c1)N(=O)=O)NCCO	0.11	0.0
Compound_190	OCCN(c1ccc(c(c1)N(=O)=O)NC)C	0.27	0.0
Compound_191	CCCCCCCCCc1ccccc1OCCOCCO	0.97	1.0
Compound_192	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCO	0.99	1.0
Compound_193	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCO	0.97	1.0
Compound_194	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOP(=O)(O)O	0.54	1.0
Compound_195	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCO	0.97	1.0
Compound_196	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO	0.99	1.0
Compound_197	CCCCCCCCCc1cccc(c1)OCCCOCCOCCOCCOCCOCCOCCOCCOCCOCO	0.98	1.0
Compound_198	CCCCCCCCCc1cccc(c1OCCOCCOCCOCCOCCOCCOCCOP(=O)(O)O)CCCCCCCCC	0.48	0.0
Compound_199	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)(OCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccccc1CCCCCCCCC)O	0.66	1.0
Compound_200	C[C@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O	0.97	1.0
Compound_201	CCCCCC(=O)N	0.57	1.0
Compound_202	CCCCCCNC(=O)CCCCC(=O)N	0.17	0.0
Compound_203	CCCCCCCCCCCCCCCCCCCCCCCCCCC(CO)O	0.94	1.0
Compound_204	OCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)CCCCCCCC	0.99	1.0
Compound_205	CCCCCCCCCCC(COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC	0.93	1.0
Compound_206	CCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCC	0.9	1.0
Compound_207	CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCCCC)CCCCCCCC	0.36	0.0
Compound_208	CCCCCCCCC=CCCCCCCCC(=O)NCCO	0.64	1.0
Compound_209	CCCCCCCCCCCCCCCC(C(NC(=O)CCCCCCCC=CCCCCCCCC)CO)O	0.16	0.0
Compound_210	CCCCCCCC/C=C/CCCCCCCC(=O)NCCCN(C)C	0.36	0.0
Compound_211	CCCCCCCCC=CCCCCCCCC(=O)NCCCN(=O)(C)C	0.09	0.0
Compound_212	CCCCCCCCC=CCCCCCCCCN(=O)(C)C	0.76	1.0
Compound_213	CCCCCCCCC=CCCCCCCCCOC(=O)C	0.94	1.0
Compound_214	CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC	0.87	1.0
Compound_215	CCCCCCCCC=CCCCCCCCC[N+](CC(=O)[O-])(C)C	0.34	0.0
Compound_216	CCCCCCCC/C=C/CCCCCCCCOCC(CO)O	0.94	1.0
Compound_217	CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCC=CCC=CCCCCC	0.88	1.0
Compound_218	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC	0.87	1.0
Compound_219	NC(C(=O)O)CCCN	0.02	0.0
Compound_220	COc1cc(C=CC(=O)O[C@H]2CC[C@]34[C@H](C2(C)C)CC[C@@H]2[C@@]4(C3)CC[C@]3([C@@]2(C)CC[C@@H]3[C@@H](CCC=C(C)C)C)C)ccc1O	0.46	0.0
Compound_221	CCCCCCCCCCCCCCCC(=O)N(CCO)CCO	0.84	1.0
Compound_222	CCCCCCCCCCCCCCCC(=O)NCCO	0.37	0.0
Compound_223	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_224	CCCCCCCCCCCCCCCC(=O)NCCCN(C)C	0.34	0.0
Compound_225	CCCCCCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.13	0.0
Compound_226	CCCCCCCCCCCCCCCCN(=O)(C)C	0.77	1.0
Compound_227	CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)O	0.05	0.0
Compound_228	COc1ccc(cc1)C(=O)O	0.47	0.0
Compound_229	OCC(C(C(=O)NCCC(=O)O)O)(C)C	0.01	0.0
Compound_230	CCCCC(C(=O)OCCOCCOC(=O)C(CCCC)CC)CC	0.59	1.0
Compound_231	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCC	0.85	1.0
Compound_232	CCCCCCCCCCCC(=O)OCCOCCO	0.96	1.0
Compound_233	CCCCCCCCC=CCCCCCCCC(=O)NCCOCCO	0.81	1.0
Compound_234	CCCCCCCCC=CCCCCCCCC[N+](CCO)(CCO)C	0.75	1.0
Compound_235	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCO	0.92	1.0
Compound_236	CCCCCC[C@H](CC=CCCCCCCCC(=O)OCCOCCO)O	0.73	1.0
Compound_237	CCCCCCCCCCCCCCCCCCN(CCO)CCO	0.94	1.0
Compound_238	CCCCCCCCCCCCCCCCCC(=O)OCCOCCO	0.96	1.0
Compound_239	CCCCCCCCCCCC(=O)NCCOCCO	0.8	1.0
Compound_240	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOCCO	0.91	1.0
Compound_241	OCCOC(C1OC(CC1OCCO)OCCO)COCCOC(=O)CCCCCCC/C=C/CCCCCCCC	0.96	1.0
Compound_242	OCCOC(C1OCC(C1OCCO)OCCO)COCCOC(=O)CCCCCCCCCCC	0.96	1.0
Compound_243	CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC	0.85	1.0
Compound_244	OCCOC(=O)CCCCCCCCCCCCCCC(C)C	0.91	1.0
Compound_245	CCCCCCCCCCCC(=O)OCCO	0.98	1.0
Compound_246	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOCCOCCO	0.91	1.0
Compound_247	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCO	0.96	1.0
Compound_248	CCCCCCCCCCCCSCCOCCO	0.98	1.0
Compound_249	CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCO	0.96	1.0
Compound_250	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCO	0.96	1.0
Compound_251	CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.96	1.0
Compound_252	CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.96	1.0
Compound_253	CC(=O)COC(COCC(=O)C)COCC(=O)C	0.65	1.0
Compound_254	CCCCCCCCCCCCCCCO	0.97	1.0
Compound_255	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(CO)CO	0.43	0.0
Compound_256	CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)OCC(COC(=O)[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C)(COC(=O)[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C)COC(=O)[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C)C	0.52	1.0
Compound_257	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC	0.53	1.0
Compound_258	CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC	0.53	1.0
Compound_259	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	0.53	1.0
Compound_260	CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCC/C=C/CCCCCCCC)CO	0.39	0.0
Compound_261	[O-]P(=O)(OP(=O)([O-])[O-])OP(=O)([O-])[O-]	0.88	1.0
Compound_262	FC12C(F)(C(F)(F)C(C(C2(F)F)(F)F)(F)F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.83	1.0
Compound_263	FC1(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(C(C1(F)F)(F)F)(F)F	0.71	1.0
Compound_264	FC(C1(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F	0.76	1.0
Compound_265	Oc1ccc(cc1)C(=O)OCCOc1ccccc1	0.96	1.0
Compound_266	O=C(c1ccccc1)Oc1ccccc1	0.96	1.0
Compound_267	Oc1ccc(cc1)C(=O)Oc1ccccc1	0.99	1.0
Compound_268	[O-]C(=O)CSc1ccccc1	0.82	1.0
Compound_269	Oc1cc(O)cc(c1)O	0.98	1.0
Compound_270	O=C1OC2(c3c1cccc3)c1c(Oc3c2c(I)c(c(c3)I)[O-])cc(c(c1I)[O-])I	0.99	1.0
Compound_271	C=C	0.99	1.0
Compound_272	OCC(COCC(COCC(CO)O)O)O	0.44	0.0
Compound_273	CCCCCCCCC=CCCCCCCCC(=O)OC(CCOCCC(O)O)O	0.91	1.0
Compound_274	CCCCCCCC/C=C/CCCCCCCCOC(COCC(CO)O)CO	0.9	1.0
Compound_275	OCC(CCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O)O	0.46	0.0
Compound_276	OCC(CCCCCCCCCC=CCCCC(C(C(C(C(=O)OCC(CO)O)CC(CO)O)CC(CO)O)CC(CO)O)CC(CO)O)O	0.52	1.0
Compound_277	CCCC/C=C/C/C=C/CCCC/C=C/C=C/CCC(=O)O	0.87	1.0
Compound_278	COC(=O)CC[C@@H](C(=O)O)N	0.01	0.0
Compound_279	OCC[N+](C/C=C/C[N+](C/C=C/C[N+](CCO)(CCO)CCO)(C)C)(CCO)CCO	0.11	0.0
Compound_280	C=CC[N+](CC=C)(C)C	0.19	0.0
Compound_281	OC=C	0.96	1.0
Compound_282	[O-]S(=O)OO	0.18	0.0
Compound_283	[O-]C#N	0.87	1.0
Compound_284	[O-]S(=O)S(=O)(=O)[O-]	0.22	0.0
Compound_285	[O-]S(=O)[O-]	0.39	0.0
Compound_286	O=c1n(Cl)c(=O)[n-]c(=O)n1Cl	0.1	0.0
Compound_287	COC(COCC(O)C)C	0.6	1.0
Compound_288	CCCCCCCCCCCCCCOCCCOC(=O)CC	0.92	1.0
Compound_289	CCCCCCCCCCCCCCOCCCO	0.94	1.0
Compound_290	OCCCOCC[N+](CC)(CC)C	0.29	0.0
Compound_291	CCCCCCCCCCCCCCCCOCCCO	0.94	1.0
Compound_292	CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.19	0.0
Compound_293	CCCCCCCCC=CCCCCCCCCOCCCO	0.94	1.0
Compound_294	CCCCCCCCCCCCCCCCCCOCC(O)C	0.97	1.0
Compound_295	CCCCCCCCCCCCCCCCCC(=O)OCCCO	0.86	1.0
Compound_296	CCCCCCCCC=CCCCCCCCC(=O)OCCCOC(=O)CCCCCCC/C=C/CCCCCCCC	0.72	1.0
Compound_297	CCCCCCCC/C=C/CCCCCCCC(=O)OCCCO	0.85	1.0
Compound_298	CC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(=O)C)C)C1)C	0.43	0.0
Compound_299	CC(CCCC(C)C)CCCC(CCCC(C)C)C	0.96	1.0
Compound_300	OC(=O)C1CCCN1	0.03	0.0
Compound_301	CCCCOC(CO)C	0.98	1.0
Compound_302	CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)C	0.33	0.0
Compound_303	CC(CCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC(C)C)C)C	0.66	1.0
Compound_304	CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)C	0.31	0.0
Compound_305	CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC)C	0.31	0.0
Compound_306	CCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCC)C	0.31	0.0
Compound_307	CCCCCCCCCCCCCCCCC(C(=O)[O-])O	0.12	0.0
Compound_308	CC(CCCCCCCCCCCCCCC(=O)OCC(O)C)C	0.82	1.0
Compound_309	CCCCCCCCCCCCCC(=O)OCC(O)C	0.88	1.0
Compound_310	CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)C	0.92	1.0
Compound_311	CCCCCCC(CC=CCCCCCCCC(=O)OCC(O)C)O	0.43	0.0
Compound_312	CCCCCCCCCCCCCCCC(N1CCCC1=O)C=C	0.73	1.0
Compound_313	O=Cc1c(COP(=O)(O)O)cnc(c1O)C	0.01	0.0
Compound_314	CCCCCCCCCCCCCCCC(=O)OCc1cnc(c(c1COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C	0.27	0.0
Compound_315	CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CCNC(=O)CCCCCCCCCCCCCCCCC)(CCC#N)CC	0.01	0.0
Compound_316	OCC[N+](CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)(C)C	0.01	0.0
Compound_317	C[n+]1c(C=CNc2ccccc2)occ1C	0.07	0.0
Compound_318	CC[n+]1c(C=CNc2ccc(cn2)Br)cccc1C	0.14	0.0
Compound_319	CCCCCCCCCCCCCCCCCC[N+](CCOCCO)(CCOCCO)CCOCCO	0.42	0.0
Compound_320	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)OCCCCCCCCCCCCCC)(C)C	0.03	0.0
Compound_321	CCCCCCCCCCCCCCOC(=O)C[N+](CCCNC(=O)CCCCCCCC=CCC=CCCCCC)(C)C	0.05	0.0
Compound_322	CCCCCCC[n+]1c(C)csc1C=c1scc(n1CCCCCCC)C	0.06	0.0
Compound_323	CCCCCCCC/C=C/CCCCCCCC(=O)OC(CN(CC(O)C)CC[N+](CC(OC(=O)CCCCCCCCC=CCCCCCCC)C)(CC(O)C)C)C	0.02	0.0
Compound_324	CC(=O)Oc1cccc(c1)O	0.92	1.0
Compound_325	CCCCCC=CCC=CCCCCCCCC(=O)OCC=C(C=CC=C(/C=C/C1=C(C)CCCC1(C)C)C)C	0.77	1.0
Compound_326	O=CC(C(C(C(O)C)O)O)O	0.2	0.0
Compound_327	CC(=O)OC(C(C(OC(=O)C)COC(=O)C)OC(=O)C)Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C	0.01	0.0
Compound_328	CCCCCC[C@H](CC=CCCCCCCCC(=O)N(CCO)CCO)O	0.36	0.0
Compound_329	CCCCCCC(C/C=C/CCCCCCCC(=O)NCCO)O	0.43	0.0
Compound_330	CCCCCC[C@H](CC=CCCCCCCCC(=O)NCCCN(C)C)O	0.07	0.0
Compound_331	O=C(O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)/C=C/c1ccc(c(c1)O)O	0.94	1.0
Compound_332	[O-][Br](=O)=O	0.95	1.0
Compound_333	CCCCOCCOCC(=O)O	0.89	1.0
Compound_334	CCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_335	CCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-]	0.06	0.0
Compound_336	CCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-]	0.07	0.0
Compound_337	CCCCCCCC1=NCCN1CCOCCC(=O)[O-]	0.06	0.0
Compound_338	CCCCCCCCCCS(=O)(=O)[O-]	0.32	0.0
Compound_339	CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_340	CCCCCCCCCCCCCCCCOCCOCC(=O)[O-]	0.94	1.0
Compound_341	CCCCCCCCCCCCCCCCS(=O)(=O)[O-]	0.34	0.0
Compound_342	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)OS(=O)(=O)[O-])C)C	0.69	1.0
Compound_343	CC(=O)N[C@H]1[C@H](O)O[C@@H]([C@@H]([C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O)OS(=O)(=O)O	0.1	0.0
Compound_344	O=C[C@@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)O	0.01	0.0
Compound_345	CC(c1ccc(c2c(c1)c(C)cc2S(=O)(=O)[O-])C)C	0.88	1.0
Compound_346	[O-]P1(=O)OP(=O)([O-])OP(=O)([O-])OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-]	0.82	1.0
Compound_347	[O-]S(=O)S(=O)[O-]	0.31	0.0
Compound_348	OCS(=O)(=O)[O-]	0.21	0.0
Compound_349	[O-][I](=O)=O	0.93	1.0
Compound_350	CC(CCCCCCCCCCCCCCC(=O)OC(C(=O)[O-])C)C	0.24	0.0
Compound_351	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)[O-]	0.82	1.0
Compound_352	CCCCCCCCCCCC1=[N+](CCN1CCO)CC(=O)[O-]	0.16	0.0
Compound_353	CCCCCCCCCCC[C+]1N(CCO)CCN1CC(CS(=O)(=O)[O-])[O-]	0.09	0.0
Compound_354	CCCCCCCCCCCC(=O)NCCN(CCC(=O)[O-])CCO	0.02	0.0
Compound_355	CCCCCCCCCCCC(=O)OC(C(=O)OC(C(=O)[O-])C)C	0.21	0.0
Compound_356	CCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-]	0.05	0.0
Compound_357	CCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-]	0.68	1.0
Compound_358	[O-]S(=O)OS(=O)[O-]	0.24	0.0
Compound_359	CCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.37	0.0
Compound_360	CCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.37	0.0
Compound_361	CCCCCCCCC=CCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.53	1.0
Compound_362	CCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.37	0.0
Compound_363	CCCCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)[O-])C	0.37	0.0
Compound_364	CCCCCCCCCCC(S(=O)(=O)[O-])C(=O)OC	0.41	0.0
Compound_365	Cc1ccc2c(c1S(=O)(=O)[O-])cccc2	0.87	1.0
Compound_366	CCCCCCCCCCCCC[C+]1N(CCO)CCN1CC(=O)[O-]	0.05	0.0
Compound_367	CCCCCCCCCCCCCC(=O)OCCS(=O)(=O)O	0.29	0.0
Compound_368	CCCCCCCCCc1ccccc1Oc1ccccc1CCCCCCCCC	0.81	1.0
Compound_369	CC(CC(c1ccc(cc1)OCCOCCOCCS(=O)(=O)[O-])(C)C)(C)C	0.79	1.0
Compound_370	CC(c1ccc(cc1)OCCOS(=O)(=O)[O-])(CC(C)(C)C)C	0.69	1.0
Compound_371	CCCCCCCC/C=C/CCCCCCCC(=O)NCCN(CC(CS(=O)(=O)[O-])O)CCO	0.04	0.0
Compound_372	CCCCCCCCC=CCCCCCCCC(=O)OCCS(=O)(=O)[O-]	0.45	0.0
Compound_373	CCCCCCCCC=CCCCCCCCC(=O)OC(C(=O)OC(C(=O)[O-])C)C	0.6	1.0
Compound_374	CCCCCCCC/C=C/CCCCCCCCOS(=O)(=O)[O-]	0.92	1.0
Compound_375	[O-]C(=O)CCNC(=O)C(CC(O)(C)C)O	0.03	0.0
Compound_376	Clc1ccc(cc1)C(=O)N(CC(=O)N1CCCCC1c1onc(n1)c1cccc(c1)Cl)C	0.02	0.0
Compound_377	CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1C(=O)[O-]	0.02	0.0
Compound_378	CCCCCCCCCCCCCCCCCC(=O)NCCN(CC(=O)[O-])CCO	0.02	0.0
Compound_379	CCCCCCCCCCCCCCCCCC(=O)OC(C(=O)OC(C(=O)[O-])C)C	0.22	0.0
Compound_380	[O-]S(=O)(=O)[S-]	0.47	0.0
Compound_381	CCCCCCCCCCCCCOCCOCC(=O)[O-]	0.94	1.0
Compound_382	CCCCCCCCCCCCCOS(=O)(=O)[O-]	0.95	1.0
Compound_383	CC1(C)Nc2ccc(c3c2c(N1)ccc3)N=Nc1ccc(c2c1cccc2)N=Nc1ccccc1	0.25	0.0
Compound_384	Cc1ccc(c(c1)C)n1c(=O)c2cccc3c2c(c1=O)ccc3N	0.19	0.0
Compound_385	OCCOC(C(C(OCCO)COCCO)OCCO)C(OCCO)COCCO	0.97	1.0
Compound_386	CC(CCCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)OC(=O)CCCCCCCCCCCCCCC(C)C)C	0.64	1.0
Compound_387	CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C1OC[C@@H]([C@H]1OC(=O)CCCCCCCCCCCCCCCCC)O)CO	0.8	1.0
Compound_388	CCCCCCCCCCCCCCCC(=O)OCC([C@H]1OC[C@H]([C@@H]1O)O)O	0.62	1.0
Compound_389	OC[C@H]([C@H]1OC[C@@H]([C@H]1OC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C	0.46	0.0
Compound_390	CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO	0.84	1.0
Compound_391	CCCCCCCCCCCCCCCCCC(=O)N(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC	0.8	1.0
Compound_392	CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CCCCCCCCCCCCCCCCC	0.53	1.0
Compound_393	CCCCCCCCCCCCCCCCCC(=O)NCC(O)C	0.19	0.0
Compound_394	CCCCCCCCCCCCCCCCCC(=O)NCCCN(CCO)CCO	0.31	0.0
Compound_395	CCCCCCCCCCCCCCCCCC(=O)NCC[NH+](CC)CC	0.11	0.0
Compound_396	CCCCCCCCCCCCCCCCCC(=O)NCCNCCO	0.84	1.0
Compound_397	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C	0.05	0.0
Compound_398	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.01	0.0
Compound_399	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC)(C)C	0.1	0.0
Compound_400	CCCCCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1	0.51	1.0
Compound_401	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C	0.06	0.0
Compound_402	CCCCCCCCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.13	0.0
Compound_403	CCCCCCCCCCCCCCCCCCN(=O)(C)C	0.77	1.0
Compound_404	CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC	0.96	1.0
Compound_405	CCCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)CC(C)C	0.04	0.0
Compound_406	CCCCCCCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.18	0.0
Compound_407	CCCCCCCCCCCCCCCCCCOC(=O)C	0.96	1.0
Compound_408	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC	0.95	1.0
Compound_409	CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1	0.98	1.0
Compound_410	CCCCCCCCCCCCCCCCCC[N+](CC(=O)[O-])(C)C	0.24	0.0
Compound_411	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC	0.95	1.0
Compound_412	CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)[O-])(CC(=O)[O-])O	0.54	1.0
Compound_413	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=CCCCCCCCC	0.87	1.0
Compound_414	CCCCCCCCCCCCCCCCC(CO)O	0.94	1.0
Compound_415	CCCCCCCCCCCCCCCCCCOC(=O)[C@]1(C)CC[C@]2([C@H](C1)C1=CC(=O)[C@H]3[C@@]([C@@]1(CC2)C)(C)CCC1[C@]3(C)CC[C@@H](C1(C)C)O)C	0.18	0.0
Compound_416	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC	0.95	1.0
Compound_417	CCCCCCCCCCCCCCCCCC1=NCCN1CCO	0.2	0.0
Compound_418	CCCCCCCCCCCCCCCCCCOC(=O)C(O)C	0.8	1.0
Compound_419	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC=CCCCCC	0.88	1.0
Compound_420	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	0.95	1.0
Compound_421	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(OC(=O)CCCCCCCCCCCCCCCCC)CCCCCC	0.4	0.0
Compound_422	OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.74	1.0
Compound_423	CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1(OC(=O)CCCCCCCCCCC)[C@@]1(CO)O[C@@H]([C@H]([C@@H]1O)O)CO)CO	0.35	0.0
Compound_424	CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1(OC(=O)CCCCCCCCCCCCCCCCC)[C@@]1(CO)O[C@@H]([C@H]([C@@H]1O)O)CO)CO	0.35	0.0
Compound_425	CC(=O)OC[C@@]1(O[C@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C	0.25	0.0
Compound_426	CCCCCCCCC=CCCCCCCCC(=O)OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.64	1.0
Compound_427	CCCCCC=CCC=CCCCCCCCC(=O)O[C@]1(O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)[C@@]1(CO)O[C@@H]([C@H]([C@@H]1O)O)CO	0.51	1.0
Compound_428	CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1(OC(=O)C)[C@@]1(CO)O[C@@H]([C@H]([C@@H]1O)O)CO)CO	0.35	0.0
Compound_429	CCCCCCCCCCCCCCN(CCC)CCC	0.85	1.0
Compound_430	O=C(c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC1C(COC(=O)c2cc(O)c(c(c2)OC(=O)c2cc(O)c(c(c2)O)O)O)OC(C(C1OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O	0.14	0.0
Compound_431	CCCCCCCCCCCCOCCCCCCCCCCCC	0.96	1.0
Compound_432	CCCCCCCCCCCCOCCN(CCO)CCO	0.93	1.0
Compound_433	CCCCCCCCCCCCCCOC(=O)C(N)C	0.73	1.0
Compound_434	CCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]	0.68	1.0
Compound_435	CCOC(=O)N1CSC[C@H]1C(=O)O	0.3	0.0
Compound_436	O=C1C(=Cc2ccc(cc2)/C=C\2/C3CCC(C2=O)(C3(C)C)CS(=O)(=O)O)C2C(C1(CC2)CS(=O)(=O)O)(C)C	0.15	0.0
Compound_437	CC(=O)OCC1CCCO1	0.89	1.0
Compound_438	OCCN(CCO)CCN(CCO)CCO	0.27	0.0
Compound_439	CCCCCCCCCCCCCCCCCCN(C(=O)C(S(=O)(=O)[O-])CC(=O)[O-])C(C(=O)[O-])CC(=O)[O-]	0.22	0.0
Compound_440	NC(=O)CSCC(=O)N	0.3	0.0
Compound_441	OCC(CS)O	0.66	1.0
Compound_442	O=C1CSCCN1	0.05	0.0
Compound_443	NCCS(=S)(=O)O	0.07	0.0
Compound_444	c1ccc2c(c1)Sc1c(C2)cccc1	0.91	1.0
Compound_445	OCCOC(=O)CCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(O2)(C)CCCC(CCCC(CCCC(C)C)C)C	0.63	1.0
Compound_446	CCCCCC=CCC=CCCCCCCCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(O2)(C)CCCC(CCCC(CCCC(C)C)C)C	0.65	1.0
Compound_447	Nc1ccc(c(c1)C)N	0.97	1.0
Compound_448	CCCCCCCCCCCCCOCCO	0.98	1.0
Compound_449	CCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=CCCCCCCCC	0.87	1.0
Compound_450	CCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC	0.95	1.0
Compound_451	CCCCCCCCCCCCCOC(=O)c1ccccc1O	0.98	1.0
Compound_452	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC	0.95	1.0
Compound_453	CCCCCCCCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCC	0.88	1.0
Compound_454	CCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)CC	0.51	1.0
Compound_455	CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCC=CCCCCCCCC	0.5	0.0
Compound_456	CCCCC(COC(=O)C(CC(=O)OCC(CCCC)CC)(CC(=O)OCC(CCCC)CC)O)CC	0.31	0.0
Compound_457	CCCCCCC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC(CCCCCC)O)COC(=O)CCCCCCCCCCC(CCCCCC)O)O	0.18	0.0
Compound_458	CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)OCCCCCCCCCCCCCCCC)(CC(=O)OCCCCCCCCCCCCCCCC)O	0.36	0.0
Compound_459	CC(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C)C	0.39	0.0
Compound_460	CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)OCCCCCCCCCCCCCCCCCC)(CC(=O)OCCCCCCCCCCCCCCCCCC)O	0.36	0.0
Compound_461	CC(C(=O)OC(COC(=O)C(O)C)COC(=O)C(O)C)O	0.49	0.0
Compound_462	CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC	0.08	0.0
Compound_463	CCCCCCCCCCCCOC(=O)C(CC(=O)OCCCCCCCCCCCC)(CC(=O)OCCCCCCCCCCCC)O	0.36	0.0
Compound_464	CCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCC)OCCCCCCCCCCCC	0.99	1.0
Compound_465	CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC	0.85	1.0
Compound_466	CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC	0.5	0.0
Compound_467	CCC=CCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCC=CCC	0.6	1.0
Compound_468	CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)CC	0.46	0.0
Compound_469	CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)CC	0.46	0.0
Compound_470	CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	0.08	0.0
Compound_471	CCCCCCCCC=CCCCCCCCCOP(=O)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC	0.99	1.0
Compound_472	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	0.08	0.0
Compound_473	CCCCCCC(C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)COC(=O)CCCCCCC/C=C/CC(CCCCCC)O)O	0.1	0.0
Compound_474	CCCCCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC	0.99	1.0
Compound_475	CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COC(=O)CCCCCCCCCC	0.08	0.0
Compound_476	COC1=C(OC)C(=O)C(=C(C1=O)CC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C)C)C)C	0.04	0.0
Compound_477	CCCCCCCCCCC(=O)O	0.71	1.0
Compound_478	CCCCCCCC/C=C/C(=O)N(CCO)CCO	0.64	1.0
Compound_479	OCCNC(=O)CCCCCCCCC=C	0.53	1.0
Compound_480	OCCCCCCCCCCCCCCCCCCCCCCCC(C)C	0.95	1.0
Compound_481	[O-]S(=O)CO	0.38	0.0