Index	SMILES	Probability	Label
Compound_1	C=O	0.99	1.0
Compound_2	CC=O	0.99	1.0
Compound_3	OC=O	0.76	1.0
Compound_4	CCl	0.96	1.0
Compound_5	O=CC#N	0.87	1.0
Compound_6	C=CC=O	0.98	1.0
Compound_7	O=CC=O	0.4	0.0
Compound_8	CCC=O	0.99	1.0
Compound_9	CC(=O)C	0.99	1.0
Compound_10	OCC=O	0.94	1.0
Compound_11	NC(=O)O	0.4	0.0
Compound_12	CN(=O)=O	0.95	1.0
Compound_13	CC(C#N)C	0.97	1.0
Compound_14	C/C=C/C=O	0.98	1.0
Compound_15	CC(=C)C=O	0.99	1.0
Compound_16	O=CC(=O)C	0.78	1.0
Compound_17	CCCC=O	0.98	1.0
Compound_18	O=CC(C)C	0.99	1.0
Compound_19	CCC(=O)C	0.99	1.0
Compound_20	O=CC(=O)O	0.15	0.0
Compound_21	O=NN(C)C	0.97	1.0
Compound_22	ClCC#N	0.94	1.0
Compound_23	ClCC=O	0.97	1.0
Compound_24	CNCCl	0.83	1.0
Compound_25	CC(C#N)CC	0.98	1.0
Compound_26	CC(CC#N)C	0.95	1.0
Compound_27	ClCCl	1.0	1.0
Compound_28	CC(=O)C(=O)C	0.85	1.0
Compound_29	CCCC(=O)C	0.86	1.0
Compound_30	CCCCC=O	0.97	1.0
Compound_31	CC(=O)C(C)C	0.96	1.0
Compound_32	O=CCC(C)C	0.96	1.0
Compound_33	CC(C=O)CC	0.98	1.0
Compound_34	CC(=O)N(C)C	0.45	0.0
Compound_35	OC(=O)C(=O)C	0.14	0.0
Compound_36	CN(N=O)CC	0.84	1.0
Compound_37	CCCC(=O)O	0.34	0.0
Compound_38	CC(=O)C(O)C	0.84	1.0
Compound_39	CC(C(=O)O)C	0.54	1.0
Compound_40	OC(=O)C(=O)O	0.06	0.0
Compound_41	OCC(=O)CO	0.89	1.0
Compound_42	ClC(=C)C=O	0.99	1.0
Compound_43	Cc1ccccc1	0.97	1.0
Compound_44	CC(=O)CCl	0.94	1.0
Compound_45	Nc1ccccc1	1.0	1.0
Compound_46	NC(=O)CCl	0.91	1.0
Compound_47	OC(=O)CCl	0.8	1.0
Compound_48	ClCN(=O)=O	0.96	1.0
Compound_49	O=Cc1ccco1	0.85	1.0
Compound_50	CC1CCC(=O)C1	0.78	1.0
Compound_51	CCC/C=C/C=O	0.97	1.0
Compound_52	ClCCCl	0.97	1.0
Compound_53	O=C1CCCN1C	0.85	1.0
Compound_54	CN(Cl)Cl	0.96	1.0
Compound_55	O=NN1CCCC1	0.61	1.0
Compound_56	CCCC(=O)CC	0.94	1.0
Compound_57	CCCCC(=O)C	0.91	1.0
Compound_58	CCCCCC=O	0.98	1.0
Compound_59	CCCCCCC	0.99	1.0
Compound_60	CC(=O)CC(=O)O	0.66	1.0
Compound_61	CCCCC(=O)O	0.57	1.0
Compound_62	CC(CC(=O)O)C	0.76	1.0
Compound_63	CCN(N=O)CC	0.83	1.0
Compound_64	OC(=O)CC(=O)O	0.25	0.0
Compound_65	C=Cc1ccccc1	1.0	1.0
Compound_66	O=Cc1ccccc1	0.79	1.0
Compound_67	O=C1C=CC(=O)C=C1	0.81	1.0
Compound_68	COc1ccccc1	0.9	1.0
Compound_69	ClC(C#N)Cl	0.96	1.0
Compound_70	Oc1ccccc1O	0.99	1.0
Compound_71	Oc1ccc(cc1)O	0.99	1.0
Compound_72	CCCCCCC#N	0.93	1.0
Compound_73	Cc1c(CO)nc[nH]1	0.03	0.0
Compound_74	CCCC=CC(=O)C	0.92	1.0
Compound_75	O=CC(Cl)Cl	0.96	1.0
Compound_76	ClCC(Cl)C	0.95	1.0
Compound_77	CN1C(=O)CCC1=O	0.14	0.0
Compound_78	O=CCCCC(=O)C	0.76	1.0
Compound_79	O=NN1CCCCC1	0.41	0.0
Compound_80	CCCCCCC=O	0.95	1.0
Compound_81	OC(=O)/C=C\C(=O)O	0.15	0.0
Compound_82	O=NN1CCOCC1	0.27	0.0
Compound_83	CC(C(=O)C(=O)O)C	0.14	0.0
Compound_84	CCCCCC(=O)O	0.69	1.0
Compound_85	OCCCCC(=O)C	0.88	1.0
Compound_86	c1ccc2c(c1)[nH]cc2	0.81	1.0
Compound_87	N#CCc1ccccc1	0.95	1.0
Compound_88	O=C(C(=O)O)C(=O)O	0.11	0.0
Compound_89	OC(=O)CCC(=O)O	0.05	0.0
Compound_90	CCCCOCCO	1.0	1.0
Compound_91	ClC(Cl)Cl	0.97	1.0
Compound_92	BrCC#N	0.89	1.0
Compound_93	OC(C(=O)O)C(=O)O	0.06	0.0
Compound_94	O=CCc1ccccc1	0.68	1.0
Compound_95	CC(=O)c1ccccc1	0.91	1.0
Compound_96	ClN(Cl)Cl	0.97	1.0
Compound_97	OC(=O)C(C=C)Cl	0.96	1.0
Compound_98	NC(=O)c1ccccc1	0.95	1.0
Compound_99	O=Cc1ccc(cc1)O	0.99	1.0
Compound_100	OC(=O)c1ccccc1	0.93	1.0
Compound_101	O=Cc1ccccc1O	0.97	1.0
Compound_102	BrCC=O	0.94	1.0
Compound_103	OC(=O)c1ccccn1	0.12	0.0
Compound_104	N#CC(Cl)(Cl)C	0.97	1.0
Compound_105	COc1ccc(cc1)O	0.95	1.0
Compound_106	Oc1c(C)cccc1O	0.99	1.0
Compound_107	CC1CC(=O)C(=C1C)C	0.44	0.0
Compound_108	O=CC=C(Cl)Cl	0.97	1.0
Compound_109	OCCBr	0.94	1.0
Compound_110	Cc1ccc(o1)C(=O)O	0.31	0.0
Compound_111	CC(=O)CCC=C(C)C	0.19	0.0
Compound_112	Cc1cccc(c1)Cl	0.88	1.0
Compound_113	ClCC(=O)CCl	0.94	1.0
Compound_114	CC(C(Cl)C)Cl	0.95	1.0
Compound_115	CC(=O)N1CCCC1=O	0.15	0.0
Compound_116	CN1CCCCCC1=O	0.19	0.0
Compound_117	Nc1ccc(cc1)Cl	0.93	1.0
Compound_118	Nc1cccc(c1)Cl	0.9	1.0
Compound_119	Nc1ccccc1Cl	0.99	1.0
Compound_120	ClCC(=O)NCl	0.86	1.0
Compound_121	ClC(C(=O)N)Cl	0.93	1.0
Compound_122	Oc1ccc(cc1)Cl	0.99	1.0
Compound_123	CCCCCCCC=O	0.96	1.0
Compound_124	Oc1ccccc1Cl	0.89	1.0
Compound_125	ClC(C(=O)O)Cl	0.95	1.0
Compound_126	ClCBr	0.97	1.0
Compound_127	ClC(N(=O)=O)Cl	0.68	1.0
Compound_128	Oc1cncc(c1)Cl	0.96	1.0
Compound_129	CCCCCCC(=O)O	0.86	1.0
Compound_130	CCCN(N=O)CCC	0.73	1.0
Compound_131	OC(=O)CCCC(=O)O	0.07	0.0
Compound_132	CCc1cccc(c1)C=C	0.98	1.0
Compound_133	C=Cc1ccccc1CC	0.99	1.0
Compound_134	OCCN(N=O)CCO	0.53	1.0
Compound_135	O=C1OCc2c1cccc2	0.97	1.0
Compound_136	O=Cc1ccccc1CC	0.96	1.0
Compound_137	CCc1ccc(cc1)C=O	0.98	1.0
Compound_138	CCc1ccc(cc1C)C	0.94	1.0
Compound_139	CC(c1ccccc1)(C)C	0.99	1.0
Compound_140	OC(Cl)(Cl)Cl	0.93	1.0
Compound_141	O=Cc1ccc(c(c1)C)O	0.99	1.0
Compound_142	CC(=O)c1ccc(cc1)O	0.99	1.0
Compound_143	NC(=O)Cc1ccccc1	0.55	1.0
Compound_144	CC(c1ccccc1)(O)C	0.98	1.0
Compound_145	OC(=O)Cc1ccccc1	0.64	1.0
Compound_146	COc1ccc(cc1)C=O	0.96	1.0
Compound_147	COC(=O)c1ccccc1	0.97	1.0
Compound_148	OC(=O)c1ccc(cc1)C	0.88	1.0
Compound_149	CCCC(C(=O)O)Cl	0.9	1.0
Compound_150	ClC(C(=O)O)C(C)C	0.89	1.0
Compound_151	CC(=O)CBr	0.94	1.0
Compound_152	CCC(Br)C	0.99	1.0
Compound_153	NC(=O)CBr	0.74	1.0
Compound_154	ClC(CCl)CC#N	0.93	1.0
Compound_155	Oc1ccc(cc1)N(=O)=O	0.99	1.0
Compound_156	OC(=O)c1ccccc1O	0.03	0.0
Compound_157	O=N(=O)c1ccccc1N	0.94	1.0
Compound_158	Oc1ccc(cc1)C(=O)O	0.89	1.0
Compound_159	C=Cc1ccc(cc1)Cl	0.99	1.0
Compound_160	OC(=O)CBr	0.83	1.0
Compound_161	BrCN(=O)=O	0.94	1.0
Compound_162	O=Cc1ccc(o1)C(=O)O	0.11	0.0
Compound_163	CCCCCC/C=C/C=O	0.97	1.0
Compound_164	ClC(=CC(=O)O)Cl	0.75	1.0
Compound_165	CCC(=O)C(Cl)Cl	0.98	1.0
Compound_166	CC(=O)C(Cl)(Cl)C	0.98	1.0
Compound_167	CCCCCCCCC=O	0.96	1.0
Compound_168	O=C1C=CC(=O)C(=C1)Cl	0.79	1.0
Compound_169	COc1cccc(c1)Cl	0.98	1.0
Compound_170	COc1ccccc1Cl	0.99	1.0
Compound_171	COC(=O)C(Cl)Cl	0.97	1.0
Compound_172	OC(=O)C(Cl)(Cl)C	0.9	1.0
Compound_173	CCCCCCCC(=O)O	0.91	1.0
Compound_174	CCCCC(C(=O)O)CC	0.96	1.0
Compound_175	N#CC(Cl)(Cl)Cl	0.92	1.0
Compound_176	Oc1c(O)cccc1Cl	0.98	1.0
Compound_177	OC(=O)CCCCC(=O)O	0.23	0.0
Compound_178	Clc1c[nH]c(=O)[nH]c1=O	0.03	0.0
Compound_179	Clc1cc(=O)[nH]c(=O)[nH]1	0.04	0.0
Compound_180	Clc1ccc(cc1)Cl	0.99	1.0
Compound_181	Clc1cccc(c1)Cl	0.96	1.0
Compound_182	Clc1ccccc1Cl	0.83	1.0
Compound_183	O=C1NC(=O)c2c1cccc2	0.73	1.0
Compound_184	O=C1OC(=O)c2c1cccc2	0.87	1.0
Compound_185	CC=C(C=O)Br	0.91	1.0
Compound_186	O=C1C=CC(=NC(=O)C)C=C1	0.47	0.0
Compound_187	FC(S(=O)(=O)O)(F)F	0.96	1.0
Compound_188	COc1ccc(cc1)C(=O)C	0.94	1.0
Compound_189	CC(c1ccc(cc1)O)(C)C	1.0	1.0
Compound_190	CCCCC(C(=O)O)Cl	0.87	1.0
Compound_191	OC(=O)/C=C\Br	0.95	1.0
Compound_192	O=CC(Br)(C)C	0.99	1.0
Compound_193	CCCC(Br)C	0.98	1.0
Compound_194	N#CCc1ccc(cc1)Cl	0.98	1.0
Compound_195	N#CCc1cccc(c1)Cl	0.95	1.0
Compound_196	N#CCc1ccccc1Cl	0.92	1.0
Compound_197	NC(=O)Cc1ccc(cc1)O	0.24	0.0
Compound_198	COc1ccc(cc1)C(=O)O	0.47	0.0
Compound_199	O=C1C=C(C)C(=O)C(C1)(C)C	0.58	1.0
Compound_200	O=c1cc(C)[nH]c(n1)C(C)C	0.27	0.0
Compound_201	OC(=O)CC(C(=O)O)Cl	0.65	1.0
Compound_202	N#Cc1ccc(c(c1)Cl)O	0.68	1.0
Compound_203	N#Cc1cccc(c1O)Cl	0.82	1.0
Compound_204	N#Cc1cc(Cl)ccc1O	0.79	1.0
Compound_205	N#Cc1ccc(c(c1)Br)O	0.1	0.0
Compound_206	N#Cc1cccc(c1O)Br	0.59	1.0
Compound_207	N#Cc1cc(Br)ccc1O	0.78	1.0
Compound_208	N#Cc1cc(Cl)cc(c1O)Cl	0.74	1.0
Compound_209	N#Cc1cc(Cl)c(c(c1)Cl)O	0.73	1.0
Compound_210	N#Cc1cc(Br)cc(c1O)Br	0.47	0.0
Compound_211	N#Cc1cc(Br)c(c(c1)Br)O	0.19	0.0
Compound_212	N#Cc1ccc(c(c1)I)O	0.31	0.0
Compound_213	N#Cc1cc(I)ccc1O	0.49	0.0
Compound_214	N#Cc1cc(Cl)c(c(c1)Br)O	0.74	1.0
Compound_215	N#Cc1cc(Br)cc(c1O)Cl	0.73	1.0
Compound_216	N#Cc1cc(I)c(c(c1)I)O	0.31	0.0
Compound_217	CC(C(=O)O)Br	0.93	1.0
Compound_218	ClC(Cl)(Cl)Cl	0.98	1.0
Compound_219	CCOP(=O)(OCC)O	0.88	1.0
Compound_220	Oc1ccc(c(c1)C(=O)O)O	0.2	0.0
Compound_221	ClC(C#N)Br	0.98	1.0
Compound_222	ClCC(=O)c1ccccc1	0.94	1.0
Compound_223	CCC(=O)C(Cl)(Cl)C	0.97	1.0
Compound_224	O=N(=O)c1ccc(c(c1)O)O	0.95	1.0
Compound_225	NC(=O)c1ccccc1Cl	0.72	1.0
Compound_226	CCCCC1CCCC(=O)O1	0.96	1.0
Compound_227	CCCCCCCCCC=O	0.96	1.0
Compound_228	CCCCCCCCCCC	1.0	1.0
Compound_229	O=C1C=C(C)C(=O)C(=C1)Cl	0.6	1.0
Compound_230	OC(=O)c1ccccc1Cl	0.95	1.0
Compound_231	O=Cc1ccc(c(c1)Cl)O	0.98	1.0
Compound_232	OC(=O)c1ccc(cc1)Cl	0.9	1.0
Compound_233	Clc1cccc2c1OCO2	0.99	1.0
Compound_234	ClCC(c1ccccc1)O	0.77	1.0
Compound_235	CC(=O)OC(Br)Cl	0.99	1.0
Compound_236	CCCCCCCCC(=O)O	0.83	1.0
Compound_237	CCCCN(N=O)CCCC	0.67	1.0
Compound_238	COc1ccc(cc1Cl)O	0.99	1.0
Compound_239	Cl[N-]C1=NC(=[N+](C)C)N=N1	0.37	0.0
Compound_240	OC(=O)CCCCCC(=O)O	0.76	1.0
Compound_241	CC(=O)C(Cl)(Cl)Cl	0.89	1.0
Compound_242	ClCC(=O)C(Cl)Cl	0.94	1.0
Compound_243	Clc1cccc(c1O)Cl	0.81	1.0
Compound_244	Clc1ccc(c(c1)Cl)N	0.98	1.0
Compound_245	Clc1cccc(c1N)Cl	0.97	1.0
Compound_246	Nc1ccc(c(c1)Cl)Cl	0.99	1.0
Compound_247	O=c1oc2ccccc2cc1O	0.87	1.0
Compound_248	O=Cc1ccc(cc1)C(C)(C)C	1.0	1.0
Compound_249	NC(=O)C(Cl)(Cl)Cl	0.82	1.0
Compound_250	Clc1ccc(c(c1)Cl)O	0.89	1.0
Compound_251	Clc1c(O)cccc1Cl	0.65	1.0
Compound_252	OC(=O)C(Cl)(Cl)Cl	0.91	1.0
Compound_253	ClC(Br)Cl	0.97	1.0
Compound_254	Oc1cc(Cl)nc(c1)Cl	0.98	1.0
Compound_255	O=Cc1ccc(c(c1)C(=O)O)O	0.12	0.0
Compound_256	N#CC(N=NC(C#N)(C)C)(C)C	0.79	1.0
Compound_257	ClC(N(=O)=O)(Cl)Cl	0.89	1.0
Compound_258	OC(=O)/C(=C(/C(=O)O)\C)/Cl	0.45	0.0
Compound_259	CCCCCC(C(=O)O)Cl	0.86	1.0
Compound_260	CCCCCCBr	0.97	1.0
Compound_261	O=Cc1cc(ccc1O)C(=O)O	0.24	0.0
Compound_262	OC(=O)c1ccc(cc1)C(=O)O	0.69	1.0
Compound_263	OC(=O)c1cccc(c1)C(=O)O	0.78	1.0
Compound_264	OC(=O)c1ccccc1C(=O)O	0.61	1.0
Compound_265	CCCCCC1=C(C)CCC1=O	0.78	1.0
Compound_266	ICC#N	0.84	1.0
Compound_267	CCC(C(=O)O)Br	0.9	1.0
Compound_268	CC(C(O)(C)C)Br	0.95	1.0
Compound_269	O=C1CCCN1C1CCCCC1	0.06	0.0
Compound_270	c1ccc2c(c1)oc1c2cccc1	1.0	1.0
Compound_271	O=C1CC(C)(C)C(=O)C2(C1O2)C	0.73	1.0
Compound_272	CC(c1ccc(cc1)Cl)(C)C	0.98	1.0
Compound_273	O=C/C(=C(\C(=O)O)/Cl)/Cl	0.57	1.0
Compound_274	Nc1nc(Cl)c2c(n1)nc[nH]2	0.8	1.0
Compound_275	Clc1nc(N)c2c(n1)nc[nH]2	0.9	1.0
Compound_276	NC(=O)Cc1ccccc1Cl	0.23	0.0
Compound_277	NC(=O)Cc1cccc(c1)Cl	0.76	1.0
Compound_278	ICC=O	0.86	1.0
Compound_279	CCOP(=O)(OCC)S	0.89	1.0
Compound_280	OC(=O)Cc1ccc(cc1)Cl	0.71	1.0
Compound_281	OC(=O)Cc1ccccc1Cl	0.74	1.0
Compound_282	O=C1C=C(Cl)C(=O)C(=C1C)C	0.64	1.0
Compound_283	CCCC(C(=O)O)(Cl)Cl	0.86	1.0
Compound_284	CC(=O)C(Br)Cl	0.98	1.0
Compound_285	Oc1ccc(c(c1)Cl)C(=O)N	0.41	0.0
Compound_286	Oc1cccnc1Br	0.97	1.0
Compound_287	Nc1ccccc1Br	0.99	1.0
Compound_288	OC(=O)C=C(C(C)(C)C)C(=O)O	0.3	0.0
Compound_289	CCCCCCCCCC(=O)O	0.71	1.0
Compound_290	NC(=O)C(Br)Cl	0.94	1.0
Compound_291	OC(=O)c1cccc(c1O)Cl	0.81	1.0
Compound_292	Clc1ccc(c(c1)C(=O)O)O	0.36	0.0
Compound_293	OC(=O)c1ccc(c(c1)Cl)O	0.94	1.0
Compound_294	O=N(=O)c1ccc(c(c1)Cl)N	0.86	1.0
Compound_295	Nc1ccc(c(c1)N(=O)=O)Cl	0.89	1.0
Compound_296	OC(=O)C(C(=O)O)(Cl)Cl	0.28	0.0
Compound_297	Oc1ccc(cc1)Br	0.99	1.0
Compound_298	Oc1ccccc1Br	0.99	1.0
Compound_299	OC(=O)C(Br)Cl	0.93	1.0
Compound_300	O=N(=O)c1ccc(c(c1)Cl)O	0.91	1.0
Compound_301	BrCBr	0.9	1.0
Compound_302	OC(=O)CCCCCCC(=O)O	0.87	1.0
Compound_303	ClC(N(=O)=O)Br	0.73	1.0
Compound_304	ClCC(c1ccccc1)Cl	0.93	1.0
Compound_305	ClC(=C(C(=O)O)Cl)Cl	0.79	1.0
Compound_306	CCC(=O)C(Cl)(Cl)Cl	0.97	1.0
Compound_307	ClN=C1C=CC(=O)C=C1Cl	0.61	1.0
Compound_308	ClN=C1C=CC(=O)C(=C1)Cl	0.66	1.0
Compound_309	CC(=O)c1ccc(cc1)C(C)(C)C	0.99	1.0
Compound_310	ClC1=CC(=O)C(=CC1=O)Cl	0.84	1.0
Compound_311	O=C1C=C(Cl)C(=O)C(=C1)Cl	0.83	1.0
Compound_312	COc1ccc(cc1Cl)Cl	0.99	1.0
Compound_313	O=NN1CCCC1c1cccnc1	0.12	0.0
Compound_314	OC(=O)CC(Cl)(Cl)Cl	0.84	1.0
Compound_315	OC(=O)c1ccc(cc1)C(C)(C)C	0.91	1.0
Compound_316	ClCC(=C(Cl)Cl)Cl	0.96	1.0
Compound_317	c1ccc2c(c1)nc1c(n2)cccc1	0.98	1.0
Compound_318	Oc1ccc(c(c1)C(=O)O)C(=O)O	0.54	1.0
Compound_319	O=C(c1ccccc1)c1ccccc1	0.21	0.0
Compound_320	C=Cc1ccccc1Br	0.99	1.0
Compound_321	BrC(=C)c1ccccc1	0.99	1.0
Compound_322	OC(=O)c1cc(ccc1O)N(=O)=O	0.64	1.0
Compound_323	O=N(=O)c1ccc(c(c1)N(=O)=O)O	0.97	1.0
Compound_324	CCCCCCCCCCCC=O	0.96	1.0
Compound_325	Clc1ccc2c(c1)sc(n2)N	0.97	1.0
Compound_326	O=Cc1ccc(cc1)Br	0.99	1.0
Compound_327	O=Cc1cccc(c1)Br	0.99	1.0
Compound_328	O=Cc1ccccc1Br	0.99	1.0
Compound_329	OC(=O)CI	0.78	1.0
Compound_330	N#CCc1c(Cl)cccc1Cl	0.94	1.0
Compound_331	Clc1c(CC#N)cccc1Cl	0.9	1.0
Compound_332	N#CCc1ccc(c(c1)Cl)Cl	0.91	1.0
Compound_333	Clc1ccc(cc1CC#N)Cl	0.94	1.0
Compound_334	N#CCc1ccc(cc1Cl)Cl	0.91	1.0
Compound_335	CCCCCCCCCCC(=O)O	0.71	1.0
Compound_336	OC(=O)CC(C(=O)O)(Cl)Cl	0.47	0.0
Compound_337	ClC(C(C(=O)O)Cl)C(=O)O	0.89	1.0
Compound_338	O=C1C=CC(=O)C(=C1)Br	0.86	1.0
Compound_339	COc1ccc(cc1)Br	0.98	1.0
Compound_340	COc1ccccc1Br	0.99	1.0
Compound_341	OC(=O)C(CCl)Br	0.97	1.0
Compound_342	CC(Nc1nc(N)nc(n1)Cl)C	0.98	1.0
Compound_343	N#Cc1cc(Cl)c(c(c1)Cl)O	0.73	1.0
Compound_344	N#Cc1cc(Cl)cc(c1O)Cl	0.74	1.0
Compound_345	OC(=O)CCCCCCCC(=O)O	0.87	1.0
Compound_346	N#CC(Br)(Cl)Cl	0.95	1.0
Compound_347	ClC(C(=O)c1ccccc1)Cl	0.99	1.0
Compound_348	O=CC(c1ccccc1)(Cl)Cl	0.96	1.0
Compound_349	ClCC(=C(C(=O)O)Cl)Cl	0.83	1.0
Compound_350	NC(=O)c1c(Cl)cccc1Cl	0.63	1.0
Compound_351	Clc1ccc(c(c1)Cl)C(=O)N	0.84	1.0
Compound_352	Brc1c[nH]c(=O)[nH]c1=O	0.05	0.0
Compound_353	OC(=O)c1ccc(o1)Br	0.93	1.0
Compound_354	O=Cc1cc(Cl)c(c(c1)Cl)O	0.98	1.0
Compound_355	O=C1C=C(Cl)C(=O)C(=C1C)Cl	0.58	1.0
Compound_356	O=CC(Br)(Cl)Cl	0.97	1.0
Compound_357	O=C1C=C(Cl)C(=O)c2c1cccc2	0.82	1.0
Compound_358	O=C1C=C(Cl)C(=O)C(=C1O)Cl	0.54	1.0
Compound_359	CC(C(=C(Cl)Cl)Cl)Cl	0.92	1.0
Compound_360	CCOc1ccc(cc1)C(=O)OCC	0.99	1.0
Compound_361	CC(=CCCC(=O)C)CCC=C(C)C	0.1	0.0
Compound_362	OC(=O)CCCCC(C(=O)O)Cl	0.55	1.0
Compound_363	OC(=O)/C=C(\C(=O)O)/Br	0.37	0.0
Compound_364	OC(=O)/C=C(/C(=O)O)\Br	0.37	0.0
Compound_365	ClCC(=O)C(Cl)(Cl)Cl	0.97	1.0
Compound_366	ClC(C(=O)C(Cl)Cl)Cl	0.93	1.0
Compound_367	N#CCc1ccc(cc1)Br	0.96	1.0
Compound_368	N#CCc1ccccc1Br	0.92	1.0
Compound_369	N#CCc1cccc(c1)Br	0.96	1.0
Compound_370	Nc1cc(Cl)c(c(c1)Cl)Cl	0.99	1.0
Compound_371	Clc1cc(Cl)c(c(c1)Cl)N	0.97	1.0
Compound_372	O=c1ccc2c(o1)c(Cl)c(cc2)O	0.95	1.0
Compound_373	Clc1cc(Cl)c(c(c1)Cl)O	0.68	1.0
Compound_374	O=NN(c1ccccc1)c1ccccc1	0.94	1.0
Compound_375	ClC(Br)(Cl)Cl	0.97	1.0
Compound_376	O=C1CCCCCCCCCCCO1	0.97	1.0
Compound_377	CCCCCCCCCCCCC=O	0.96	1.0
Compound_378	BrC(C#N)Br	0.98	1.0
Compound_379	Clc1cc(Cl)c(nc1O)Cl	0.99	1.0
Compound_380	NC(=O)c1ccccc1Br	0.72	1.0
Compound_381	CCCCCCCCCCCC(=O)O	0.18	0.0
Compound_382	O=Cc1ccc(c(c1)Br)O	0.99	1.0
Compound_383	ClC(C#N)I	0.94	1.0
Compound_384	ClC(C1=C(Cl)C(=O)OC1)Cl	0.69	1.0
Compound_385	Clc1ccc2c(c1)c1ccccc1[nH]2	1.0	1.0
Compound_386	O=CC(Br)Br	0.99	1.0
Compound_387	BrCC(Br)C	0.97	1.0
Compound_388	ClC1=C(Cl)C(=C(C1)Cl)Cl	0.75	1.0
Compound_389	OC(=O)CCCCCCCCC(=O)O	0.87	1.0
Compound_390	OC1=CC(=O)C(=CC1=O)Br	0.42	0.0
Compound_391	NC(=O)Cc1ccc(cc1Cl)Cl	0.4	0.0
Compound_392	NC(=O)Cc1c(Cl)cccc1Cl	0.4	0.0
Compound_393	NC(=O)Cc1ccc(c(c1)Cl)Cl	0.33	0.0
Compound_394	CC1=C(C)C(=O)C(=C(C1=O)Cl)Cl	0.62	1.0
Compound_395	Oc1c(Cl)cccc1Br	0.97	1.0
Compound_396	Brc1ccc(c(c1)Cl)O	0.99	1.0
Compound_397	Brc1ccc(c(c1)Cl)N	0.97	1.0
Compound_398	NC(=O)C(Br)(Cl)Cl	0.95	1.0
Compound_399	Clc1cc(Cl)c(c(c1)C(=O)O)O	0.52	1.0
Compound_400	OC(=O)c1cc(Cl)c(c(c1)Cl)O	0.92	1.0
Compound_401	CC1=C(Cl)C(=O)C(=C(C1=O)O)Cl	0.55	1.0
Compound_402	O=NN(CCCC(=O)c1cccnc1)C	0.08	0.0
Compound_403	OC(=O)C(Br)(Cl)Cl	0.88	1.0
Compound_404	Oc1cnc(c(c1)Br)Cl	0.98	1.0
Compound_405	Brc1cnc(c(c1)O)Cl	0.98	1.0
Compound_406	Clc1cc(Cl)c(c(c1)N(=O)=O)O	0.94	1.0
Compound_407	O=N(=O)c1cc(Cl)c(c(c1)Cl)O	0.92	1.0
Compound_408	O=C1c2ccccc2C(=O)c2c1cccc2	0.99	1.0
Compound_409	ClC(Br)Br	0.99	1.0
Compound_410	ClC(N(=O)=O)(Br)Cl	0.81	1.0
Compound_411	OC(=O)/C(=C(/C(=O)O)\C)/Br	0.57	1.0
Compound_412	BrCCCCCCC(=O)O	0.79	1.0
Compound_413	O=NN(CCCC(c1cccnc1)O)C	0.02	0.0
Compound_414	OC(=O)c1cc(ccc1C(=O)O)C(=O)O	0.65	1.0
Compound_415	OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O	0.52	1.0
Compound_416	OC(=O)c1c(cccc1C(=O)O)C(=O)O	0.43	0.0
Compound_417	ClN=C1C=C(Cl)C(=O)C(=C1)Cl	0.65	1.0
Compound_418	O=c1cc(C)c2c(o1)cc(c(c2)O)Cl	0.84	1.0
Compound_419	ClC(I)Cl	0.99	1.0
Compound_420	O=C1C=C(Cl)C(=O)C(=C1Cl)Cl	0.84	1.0
Compound_421	COc1c(Cl)cc(cc1Cl)Cl	0.99	1.0
Compound_422	OC(=O)C(c1ccccc1)c1ccccc1	0.34	0.0
Compound_423	CCCCCCCCCCCCCC=O	0.96	1.0
Compound_424	ClCCc1cc(C)cc(c1)C	0.94	1.0
Compound_425	COc1cc(cc(c1O)N(=O)=O)N(=O)=O	0.84	1.0
Compound_426	Oc1cc(Cl)c(c(c1O)Cl)Cl	0.98	1.0
Compound_427	NC(=O)Cc1cccc(c1)Br	0.65	1.0
Compound_428	NC(=O)Cc1ccccc1Br	0.33	0.0
Compound_429	CCCCCCCCCCCCC(=O)O	0.83	1.0
Compound_430	OC(=O)C(Oc1ccc(cc1C)Cl)C	0.9	1.0
Compound_431	O=Cc1ccc(c(c1)Br)OC	0.99	1.0
Compound_432	OC1=C(Cl)C(=O)C(C1=O)(Cl)Cl	0.43	0.0
Compound_433	OC(=O)[C@H](Cc1ccc(c(c1)Cl)O)N	0.03	0.0
Compound_434	BrC(C(=O)C)Br	0.99	1.0
Compound_435	Brc1ccc(c(c1)C(=O)N)O	0.37	0.0
Compound_436	OC(=O)CCCCCCCCCC(=O)O	0.87	1.0
Compound_437	Cln1c2ccccc2[nH]c2c1cccc2	0.98	1.0
Compound_438	BrC(C(=O)N)Br	0.95	1.0
Compound_439	OC(=O)c1ccc(c(c1)Br)O	0.96	1.0
Compound_440	OC(=O)c1cccc(c1O)Br	0.87	1.0
Compound_441	Brc1ccc(c(c1)C(=O)O)O	0.87	1.0
Compound_442	O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl	0.63	1.0
Compound_443	O=CC(=C(C(=O)O)Cl)C(Cl)Cl	0.63	1.0
Compound_444	ClC(C1(O)C=CC(=O)O1)(Cl)Cl	0.81	1.0
Compound_445	ClC(C1=C(Cl)C(=O)OC1O)Cl	0.55	1.0
Compound_446	BrC(C(=O)O)Br	0.93	1.0
Compound_447	O=N(=O)c1ccc(c(c1)Br)O	0.98	1.0
Compound_448	O=N(=O)c1cc(Cl)c(c(c1)N(=O)=O)O	0.93	1.0
Compound_449	BrC(N(=O)=O)Br	0.92	1.0
Compound_450	NC(=O)C(I)Cl	0.9	1.0
Compound_451	O=C(C(Cl)(Cl)Cl)CCC(=O)O	0.65	1.0
Compound_452	ClC(=C(C(=O)O)Br)Cl	0.82	1.0
Compound_453	Cl/C(=C(\C(=O)O)/Cl)/Br	0.9	1.0
Compound_454	Cl/C(=C(/C(=O)O)\Cl)/Br	0.9	1.0
Compound_455	O=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C	0.89	1.0
Compound_456	OC(=O)C(I)Cl	0.97	1.0
Compound_457	O=C1C=C(Cl)C(=O)C(=C1)Br	0.81	1.0
Compound_458	CCOC(=O)c1ccccc1C(=O)OCC	0.12	0.0
Compound_459	OC(=O)c1c(Cl)c(O)cc(c1Cl)O	0.63	1.0
Compound_460	COc1ccc2c(c1)oc(=O)c(c2C)Cl	0.86	1.0
Compound_461	CCCCCCCCCCCCCCC=O	0.96	1.0
Compound_462	O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl	0.78	1.0
Compound_463	O=C1C(=C(Cl)C(=O)C(=C1Cl)Cl)O	0.58	1.0
Compound_464	O=N(=O)c1cc(C(=O)O)c(c(c1)N(=O)=O)O	0.45	0.0
Compound_465	CCCCCCCCCCCCCC(=O)O	0.72	1.0
Compound_466	Oc1ccc(cc1Br)C(C)(C)C	0.99	1.0
Compound_467	COC1=C(Cl)C(=O)C(C1=O)(Cl)Cl	0.44	0.0
Compound_468	OC(=O)C(=C(C(=O)O)Cl)Br	0.69	1.0
Compound_469	OC(=O)C(=C(C(=O)O)Cl)Br	0.69	1.0
Compound_470	OC(=O)CC(C(=O)C)(Br)Cl	0.85	1.0
Compound_471	BrC(=CC(=O)O)Br	0.84	1.0
Compound_472	OC(=O)/C(=C\Br)/Br	0.72	1.0
Compound_473	OC(=O)/C(=C/Br)/Br	0.72	1.0
Compound_474	ClC(C(=O)C(Cl)(Cl)Cl)Cl	0.96	1.0
Compound_475	N#Cc1cc(Br)cc(c1O)Cl	0.73	1.0
Compound_476	N#Cc1cc(Cl)c(c(c1)Br)O	0.74	1.0
Compound_477	Brc1cc(C)c(c(c1)C(=O)O)O	0.64	1.0
Compound_478	OC(=O)C(Br)(Br)C	0.91	1.0
Compound_479	OC(=O)C(CBr)Br	0.84	1.0
Compound_480	N#CC(Br)(Br)Cl	0.97	1.0
Compound_481	ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl	0.38	0.0
Compound_482	ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl	0.38	0.0
Compound_483	O=C1C=CC(=O)C(=C1)I	0.78	1.0
Compound_484	Cc1ccc(c(c1)I)O	0.96	1.0
Compound_485	Ic1ccc(c(c1)C)O	0.97	1.0
Compound_486	CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	1.0	1.0
Compound_487	O=Cc1cc(Cl)c(c(c1)Br)O	0.99	1.0
Compound_488	ClC1C(=C(C(=C1Cl)Cl)Cl)Cl	0.76	1.0
Compound_489	Clc1ccc2c(c1)c1cc(Cl)ccc1[nH]2	1.0	1.0
Compound_490	O=CC(Br)(Br)Cl	0.98	1.0
Compound_491	ClC(C(Cl)(Cl)Cl)(Cl)Cl	0.98	1.0
Compound_492	O=C1C=C(Br)C(=O)c2c1cccc2	0.77	1.0
Compound_493	CC(=CC=CC(=O)O)I	0.72	1.0
Compound_494	Cn1cnc(c1Br)Br	0.65	1.0
Compound_495	CCCCCCCCCCCCOC(=O)C=C	0.99	1.0
Compound_496	Brc1cc(Cl)c(c(c1)Cl)O	0.97	1.0
Compound_497	Clc1cc(Cl)c(c(c1)Br)O	0.96	1.0
Compound_498	CCCCCCCCCCCCCCC(=O)O	0.83	1.0
Compound_499	C/C(=C(/C(=O)O)\Br)/Br	0.78	1.0
Compound_500	OC(=O)CCCCCCCCCCCC(=O)O	0.87	1.0
Compound_501	ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl	0.98	1.0
Compound_502	ClC1=C(Cl)C(=O)C(=O)C(=C1Cl)Cl	0.38	0.0
Compound_503	CCC(C(=O)O)(Br)Br	0.98	1.0
Compound_504	Brc1ccc2c(c1)c1ccccc1[nH]2	1.0	1.0
Compound_505	NC(=O)c1ccccc1I	0.54	1.0
Compound_506	O=Cc1c(O)cccc1I	0.99	1.0
Compound_507	O=Cc1ccc(c(c1)I)O	0.99	1.0
Compound_508	Ic1cc(C)c(c(c1)C)O	0.98	1.0
Compound_509	Cc1cc(I)c(cc1C)O	0.98	1.0
Compound_510	NC(=O)Cc1c(Cl)cccc1Br	0.51	1.0
Compound_511	N#CC(=C(c1ccccc1)c1ccccc1)C(=O)O	0.87	1.0
Compound_512	CC1=C(Cl)C(=O)C(=C(C1=O)Br)C	0.78	1.0
Compound_513	OC(=O)[C@H](Cc1cc(Cl)c(c(c1)Cl)O)N	0.06	0.0
Compound_514	ClCC(=O)C(Br)Br	0.96	1.0
Compound_515	Cc1cc2c(cc1Cl)C(C)(C)CC(C2(C)C)C	0.97	1.0
Compound_516	Brc1c(N)cccc1Br	0.99	1.0
Compound_517	Brc1ccc(c(n1)Br)O	0.97	1.0
Compound_518	NC(=O)C(Br)(Br)Cl	0.94	1.0
Compound_519	OC(=O)c1cc(Cl)c(c(c1)Br)O	0.95	1.0
Compound_520	Brc1cc(Cl)c(c(c1)C(=O)O)O	0.93	1.0
Compound_521	Clc1cc(Br)c(c(c1)C(=O)O)O	0.93	1.0
Compound_522	Brc1cccc(c1O)Br	0.99	1.0
Compound_523	Brc1ccc(c(c1)Br)O	0.99	1.0
Compound_524	OC(=O)C(Br)(Br)Cl	0.9	1.0
Compound_525	Clc1cc(Br)c(c(c1)N(=O)=O)O	0.92	1.0
Compound_526	Clc1cc(cc(c1O)Br)N(=O)=O	0.88	1.0
Compound_527	Brc1cc(Cl)c(c(c1)N(=O)=O)O	0.93	1.0
Compound_528	BrC(Br)Br	0.99	1.0
Compound_529	ClC(N(=O)=O)(Br)Br	0.77	1.0
Compound_530	OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O	0.57	1.0
Compound_531	Oc1ccc(c(c1)I)Cl	0.98	1.0
Compound_532	CCCCCCCCCc1ccc(c(c1)Cl)O	0.83	1.0
Compound_533	ClC(I)Br	0.98	1.0
Compound_534	OC(=O)/C(=C(\C(=O)O)/C)/I	0.52	1.0
Compound_535	CCCCCCCCCCCCCCCC(=O)O	0.79	1.0
Compound_536	ClNC(C(=O)NCC(=O)O)Cc1ccccc1	0.06	0.0
Compound_537	COc1cc2oc(=O)c(c(c2cc1Cl)C)Cl	0.8	1.0
Compound_538	OC1=C(Cl)C(=O)C(C1=O)(Cl)Br	0.64	1.0
Compound_539	NC(=O)Cc1ccccc1I	0.16	0.0
Compound_540	ClC(C1=C(Cl)C(=O)OC1O)Br	0.81	1.0
Compound_541	O=C/C(=C(/C(=O)O)\Cl)/C(Br)Cl	0.77	1.0
Compound_542	Oc1ccc(cc1)C(c1ccc(cc1Cl)O)(C)C	0.99	1.0
Compound_543	NC(=O)C(I)Br	0.91	1.0
Compound_544	OC(=O)c1ccc(c(c1)I)O	0.95	1.0
Compound_545	OC(=O)c1c(O)cccc1I	0.85	1.0
Compound_546	Cl/C(=C(/C(=O)O)\Br)/Br	0.83	1.0
Compound_547	ClC(=C(C(=O)O)Br)Br	0.83	1.0
Compound_548	BrC(=C(C(=O)O)Cl)Br	0.92	1.0
Compound_549	O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	0.93	1.0
Compound_550	COc1ccc2c(c1Cl)ccc(c2)C(C(=O)O)C	0.95	1.0
Compound_551	OC(=O)C(I)Br	0.91	1.0
Compound_552	O=C1C=C(Br)C(=O)C(=C1)Br	0.84	1.0
Compound_553	COc1ccc(cc1Br)Br	0.99	1.0
Compound_554	Cc1cc(Br)c(c(c1)Br)O	0.99	1.0
Compound_555	Oc1cc(Br)c(cc1Br)O	1.0	1.0
Compound_556	Oc1cc(Br)c(c(c1)Br)O	1.0	1.0
Compound_557	N#CNC(=NC)NCCS(=O)Cc1[nH]cnc1C	0.08	0.0
Compound_558	O=C1C=C(Cl)C(=O)C(=C1)I	0.78	1.0
Compound_559	CCCCCCCCCCCCCCCCC(=O)O	0.9	1.0
Compound_560	ClNC(C(=O)NCC(=O)O)Cc1ccc(cc1)O	0.03	0.0
Compound_561	ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl	0.89	1.0
Compound_562	Br/C(=C(/C(=O)O)\Br)/C(=O)O	0.39	0.0
Compound_563	BrC(=C(C(=O)O)Br)C(=O)O	0.39	0.0
Compound_564	OC(=O)CC(C(=O)C)(Br)Br	0.87	1.0
Compound_565	OC(=O)c1cc(C)c(c(c1)I)O	0.82	1.0
Compound_566	OC(=O)C(=CBr)I	0.82	1.0
Compound_567	Br/C(=C\C(=O)O)/I	0.82	1.0
Compound_568	BrC(=CC(=O)O)I	0.82	1.0
Compound_569	N#Cc1cc(Br)c(c(c1)Br)O	0.19	0.0
Compound_570	N#Cc1cc(Br)cc(c1O)Br	0.47	0.0
Compound_571	N#CC(Br)(Br)Br	0.98	1.0
Compound_572	NC(=O)c1cc(Br)cc(c1)Br	0.96	1.0
Compound_573	O=Cc1cc(Br)c(c(c1)Br)O	1.0	1.0
Compound_574	O=Cc1c(Br)cc(cc1Br)O	0.99	1.0
Compound_575	O=CC(Br)(Br)Br	0.99	1.0
Compound_576	O=C1C=C(Br)C(=O)C(=C1O)Br	0.46	0.0
Compound_577	O=C1C=C(I)C(=O)c2c1cccc2	0.76	1.0
Compound_578	COc1ccc(cc1)C(=O)Oc1ccc(cc1)C(C)(C)C	0.99	1.0
Compound_579	CCCCCCCCCCCCCCCCCC(=O)O	0.89	1.0
Compound_580	ClC(C(=O)C(Br)Cl)Br	0.96	1.0
Compound_581	Cc1ccc(c(c1)OCCC(C(C(=O)O)(C)C)Cl)C	0.51	1.0
Compound_582	Brc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.99	1.0
Compound_583	Brc1cc(Cl)c(c(c1)Br)N	0.97	1.0
Compound_584	Brc1cc(Cl)c(c(c1)Br)O	0.96	1.0
Compound_585	Clc1cc(Br)c(c(c1)Br)O	0.96	1.0
Compound_586	ClNC(C(=O)NC(C(=O)O)C)Cc1ccc(cc1)O	0.03	0.0
Compound_587	ClC(Br)(Br)Br	0.99	1.0
Compound_588	CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC	0.33	0.0
Compound_589	CCCCCCCCCc1cc(Cl)c(c(c1)Cl)O	0.89	1.0
Compound_590	ClN(C(C(=O)NCC(=O)O)Cc1ccccc1)Cl	0.02	0.0
Compound_591	NC(=O)Cc1c(Br)cccc1Br	0.48	0.0
Compound_592	CC1=C(C)C(=O)C(=C(C1=O)Br)Br	0.72	1.0
Compound_593	BrCC(=O)C(Br)Br	0.91	1.0
Compound_594	CC(=O)C(Br)(Br)Br	0.99	1.0
Compound_595	CC1CC(C)(C)c2c(C1(C)C)c(Cl)c(c(c2)C(=O)O)C	0.78	1.0
Compound_596	NC(=O)C(Br)(Br)Br	0.86	1.0
Compound_597	Brc1cc(Br)c(c(c1)C(=O)O)O	0.88	1.0
Compound_598	OC(=O)c1cc(Br)c(c(c1)Br)O	0.92	1.0
Compound_599	OC(=O)C(Br)(Br)Br	0.97	1.0
Compound_600	Brc1cc(Br)c(c(c1)N(=O)=O)O	0.95	1.0
Compound_601	O=N(=O)c1cc(Br)c(c(c1)Br)O	0.93	1.0
Compound_602	Oc1ccc(cc1)C(c1cc(Cl)c(c(c1)Cl)O)(C)C	0.99	1.0
Compound_603	Oc1ccc(cc1)C(c1c(Cl)cc(cc1Cl)O)(C)C	0.99	1.0
Compound_604	BrC(N(=O)=O)(Br)Br	0.93	1.0
Compound_605	OC(C(Br)(Br)Br)O	0.73	1.0
Compound_606	BrCCCCCCCCCc1ccccc1O	0.86	1.0
Compound_607	ClN=C1C=C(Br)C(=O)C(=C1)Br	0.47	0.0
Compound_608	BrC(I)Br	0.99	1.0
Compound_609	OC(=O)c1cc(C)c(c(c1Cl)I)O	0.94	1.0
Compound_610	ClC(I)I	0.99	1.0
Compound_611	Brc1[nH]c(c(c1)Br)Br	0.99	1.0
Compound_612	OC1=C(Cl)C(=O)C(C1=O)(Br)Br	0.64	1.0
Compound_613	O=C1CCC2C1(C)CCC1C2CCc2c1ccc(c2Cl)O	0.67	1.0
Compound_614	O=C1CCC2C1(C)CCC1C2CCc2c1cc(Cl)c(c2)O	0.72	1.0
Compound_615	Clc1cc(Cl)c2c(c1)c1cc(Cl)cc(c1[nH]2)Cl	1.0	1.0
Compound_616	BrC(C1=C(Cl)C(=O)OC1O)Br	0.86	1.0
Compound_617	O=C/C(=C(/C(=O)O)\Cl)/C(Br)Br	0.73	1.0
Compound_618	OC(=O)CNC(=O)C(N(Cl)Cl)Cc1ccc(cc1)O	0.02	0.0
Compound_619	OC(=O)c1cc(I)c(c(c1)C(=O)O)O	0.29	0.0
Compound_620	BrC(=C(C(=O)O)Br)Br	0.82	1.0
Compound_621	IC(C(=O)O)I	0.95	1.0
Compound_622	OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl	0.41	0.0
Compound_623	O=C1C=C(Br)C(=O)C(=C1)I	0.83	1.0
Compound_624	CC1=C(Br)C(=O)C(=C(C1=O)Cl)Br	0.73	1.0
Compound_625	OC(=O)CCCCCCCCCCCCCCCCC(=O)O	0.87	1.0
Compound_626	O=C1C(=C(Br)C(=O)c2c1cccc2)Br	0.77	1.0
Compound_627	Brc1nc(c(n1C)Br)Br	0.45	0.0
Compound_628	N#CC(C(c1ccccc1)(c1ccccc1)Cl)(C(=O)O)Cl	0.93	1.0
Compound_629	ClN(C(C(=O)NC(C(=O)O)C)Cc1ccc(cc1)O)Cl	0.02	0.0
Compound_630	COC(c1cc(Br)c(c(c1)Br)O)(C)C	0.99	1.0
Compound_631	CCCCC(COC(=O)C(c1ccccc1)c1ccccc1)CC	0.93	1.0
Compound_632	Brc1ccc2c(c1)c1cc(Br)ccc1[nH]2	1.0	1.0
Compound_633	CCCCCCCCCCCCCCCCCCCCC(=O)O	0.9	1.0
Compound_634	ClC(C(=O)C(Br)Br)Br	0.96	1.0
Compound_635	BrCC(C(=O)O)(CCCOc1cc(C)ccc1C)C	0.56	1.0
Compound_636	Brc1cc(Br)c(c(c1)Br)N	0.97	1.0
Compound_637	Brc1cc(Br)c(c(n1)Br)O	0.97	1.0
Compound_638	Brc1cc(Br)c(c(c1)Br)O	0.99	1.0
Compound_639	BrNC(C(=O)NC(C(=O)O)C)Cc1ccc(cc1)O	0.04	0.0
Compound_640	Oc1ccc(c(c1)Cl)C(c1c(Cl)cc(cc1Cl)O)(C)C	0.99	1.0
Compound_641	Oc1cc(c(c(c1O)O)I)S(=O)(=O)O	0.83	1.0
Compound_642	Clc1cc2C3CCC4(C(C3CCc2c(c1O)Cl)CCC4=O)C	0.74	1.0
Compound_643	CCCCCCCCCCCCCCCCCCCCCC(=O)O	0.9	1.0
Compound_644	CCCCOC(=O)C(CC(=O)OCCCC)CC(=O)OCCCC	0.55	1.0
Compound_645	COc1c(Br)cc(cc1Br)Br	0.99	1.0
Compound_646	COc1ccc(cc1)C(=O)C(C(=O)c1ccc(cc1)C(C)(C)C)Cl	0.99	1.0
Compound_647	Ic1ccc(c(c1)I)O	0.98	1.0
Compound_648	Ic1cccc(c1O)I	0.97	1.0
Compound_649	BrC(I)I	0.99	1.0
Compound_650	Brc1cc(Br)c(c(c1O)Br)O	0.97	1.0
Compound_651	OC(=O)c1oc(c(c1Br)Br)Br	0.92	1.0
Compound_652	OC1=C(Br)C(=O)C(C1=O)(Br)Br	0.39	0.0
Compound_653	BrC(C1=C(Br)C(=O)OC1O)Br	0.76	1.0
Compound_654	O=C/C(=C(/C(=O)O)\Br)/C(Br)Br	0.58	1.0
Compound_655	CCCCC(COC(=O)C(c1ccccc1)(c1ccccc1)Cl)CC	0.94	1.0
Compound_656	O=C1C=C(I)C(=O)C(=C1)I	0.78	1.0
Compound_657	CCCCOC(=O)C(CC(=O)OCCCC)(CC(=O)OCCCC)O	0.41	0.0
Compound_658	COc1c(Br)cc(c(c1Br)O)Br	0.99	1.0
Compound_659	Oc1cc(I)c(c(c1)I)O	0.99	1.0
Compound_660	CC(c1c(Cl)cc(cc1Cl)O)(c1c(Cl)cc(cc1Cl)O)C	0.99	1.0
Compound_661	Oc1c(O)c(Cl)c(c(c1O)I)S(=O)(=O)O	0.85	1.0
Compound_662	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O	0.9	1.0
Compound_663	N#Cc1cc(I)c(c(c1)I)O	0.31	0.0
Compound_664	BrC(C(=O)C(Br)Br)Br	0.99	1.0
Compound_665	O=Cc1cc(I)c(c(c1)I)O	0.99	1.0
Compound_666	O=Cc1cc(I)cc(c1O)I	0.99	1.0
Compound_667	O=Cc1c(I)cc(cc1I)O	0.99	1.0
Compound_668	Oc1cc(I)c(c(c1C)C)I	0.98	1.0
Compound_669	CCCCCCCCCc1cc(Br)c(c(c1)Br)O	0.92	1.0
Compound_670	COc1ccc(cc1)C(=O)C(C(=O)c1ccc(cc1)C(C)(C)C)(Cl)Cl	0.99	1.0
Compound_671	BrC(C(Br)(Br)Cl)Br	0.98	1.0
Compound_672	Brc1[nH]c(c(c1Br)Br)Br	0.99	1.0
Compound_673	Ic1cc(I)c(c(c1)C(=O)O)O	0.85	1.0
Compound_674	OC(=O)c1cc(I)c(c(c1)I)O	0.87	1.0
Compound_675	Ic1cc(I)c(c(c1)N(=O)=O)O	0.98	1.0
Compound_676	O=N(=O)c1cc(I)c(c(c1)I)O	0.94	1.0
Compound_677	IC(I)I	0.99	1.0
Compound_678	Clc1cc(Br)c2c(c1)c1cc(Cl)cc(c1[nH]2)Br	1.0	1.0
Compound_679	Brc1ccc2c(c1)c1cc(Br)cc(c1[nH]2)Br	1.0	1.0
Compound_680	Oc1c(O)c(Br)c(c(c1O)I)S(=O)(=O)O	0.86	1.0
Compound_681	BrC1=C(Br)C(=O)C(=C(C1=O)Br)Br	0.84	1.0
Compound_682	BrC(C(=O)C(Br)(Br)Br)Br	0.99	1.0
Compound_683	Oc1c(O)c(I)c(c(c1O)I)S(=O)(=O)O	0.83	1.0
Compound_684	Ic1cc(I)c(c(c1)I)O	0.95	1.0
Compound_685	Brc1cc(Br)c2c(c1)c1cc(Br)cc(c1[nH]2)Br	1.0	1.0
Compound_686	O=C(C(Cc1cc(I)c(c(c1)I)O)N)NC(C(=O)O)C	0.02	0.0
Compound_687	CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(C2(OC3(OC1(C)C(O)C3C)C(C)C2)C)OC1OC(C)CC(C1O)N(C)C	0.01	0.0
Compound_688	Oc1cc(Br)c(c(c1)Br)Oc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)O)(C)C	0.99	1.0
Compound_689	O=CC(Cl)(Cl)Cl	0.96	1.0