smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C=CCC/C=C\CCCCCCC	220036837	ODMNOSMBBUQPGW-LUAWRHEFSA-N	180.335	4.869	30	1	AJEF	
C=CCCC=CCCC=CC=C(C)C	2356467270	JSNIXUNQFVQSSK-UHFFFAOYSA-N	190.330	4.811	30	1	AJEF	
C=C[C@@]1(C)CCC(=CC)C[C@@H]1C(=C)C	2356607068	OQFCDULGZUFMNS-KGLIPLIRSA-N	190.330	4.501	30	1	AJEF	
C=C[C@]1(C)CC/C(=C\C)C[C@H]1C(=C)C	238756723	OQFCDULGZUFMNS-GNZFURHMSA-N	190.330	4.501	30	1	AJEF	
C=C1/C=C\C(C)(C)CCC/C=C\CC1	238761978	GPABEBRHDWAKSY-VDBJJUDGSA-N	190.330	4.645	30	1	AJEF	
C=CCCCC=CCCCCCC	2356328787	HUPRDMYBAAXVEC-UHFFFAOYSA-N	180.335	4.869	30	1	AJEF	
C=CCC=CCC=CCCCCC	2356573147	BCEQUJFGDSSSKU-UHFFFAOYSA-N	178.319	4.645	30	1	AJEF	
C=CCCCCCCCCC=CC	2356317724	NJHSLELGHIYEBI-UHFFFAOYSA-N	180.335	4.869	30	1	AJEF	
C=C[C@]1(C)CCC(=CC)C[C@H]1C(=C)C	2356607069	OQFCDULGZUFMNS-UONOGXRCSA-N	190.330	4.501	30	1	AJEF	
C=C1C=C[C@H](C(C)C)CCC=CCC1	2356738197	CPEKJYOEFKSMQG-CQSZACIVSA-N	190.330	4.501	30	1	AJEF	
C=C1/C=C\C(C)(C)CCC/C=C/CC1	238761994	GPABEBRHDWAKSY-XWCDRKNNSA-N	190.330	4.645	30	1	AJEF	
C=C1C=C[C@@H](C(C)C)CCC=CCC1	2356738196	CPEKJYOEFKSMQG-AWEZNQCLSA-N	190.330	4.501	30	1	AJEF	
C=CCC/C=C\CC/C=C\C=C(C)C	195760300	JSNIXUNQFVQSSK-MQEUWQHPSA-N	190.330	4.811	30	1	AJEF	
C=CCC/C=C/CC/C=C/C=C(C)C	137704880	JSNIXUNQFVQSSK-NJHWEWLZSA-N	190.330	4.811	30	1	AJEF	
C=CC/C=C/C/C=C/CCCCC	85541189	BCEQUJFGDSSSKU-JCSVKFCRSA-N	178.319	4.645	30	1	AJEF	biogenic,in-vitro
C=C1/C=C/[C@H](C(C)C)CC/C=C/CC1	213856028	CPEKJYOEFKSMQG-GXGWCTIXSA-N	190.330	4.501	30	1	AJEF	
C=C(CCCC)[C@H](C)CCCC	95618202	ZPVCSXMAYSEYLT-GFCCVEGCSA-N	168.324	4.559	30	1	AJEF	endogenous,in-man
C=C[C@@]1(C)CCC(=CC)C[C@H]1C(=C)C	2356607067	OQFCDULGZUFMNS-KBPBESRZSA-N	190.330	4.501	30	1	AJEF	
C=CC/C=C\C/C=C\CCCCC	111966537	BCEQUJFGDSSSKU-VCGFVGGHSA-N	178.319	4.645	30	1	AJEF	
C=CC/C=C/C/C=C\CCCCC	111966541	BCEQUJFGDSSSKU-NDOXXNRRSA-N	178.319	4.645	30	1	AJEF	
C=C(CCCC)[C@@H](C)CCCC	95618203	ZPVCSXMAYSEYLT-LBPRGKRZSA-N	168.324	4.559	30	1	AJEF	endogenous,in-man
CCCCCCC=CC=CC(C)C	2356534241	HULVBFBDOCMWOT-UHFFFAOYSA-N	180.335	4.725	30	1	AJEF	
C=CCC/C=C/CC/C=C\C=C(C)C	195760304	JSNIXUNQFVQSSK-MDFXNHGISA-N	190.330	4.811	30	1	AJEF	
C=CCCC[C@@H](C)C1=CC=C(C)CC1	85856504	NIOHMVMTJUYICJ-CYBMUJFWSA-N	190.330	4.645	30	1	AJEF	
C=C1/C=C/C(C)(C)CCC/C=C\CC1	238762001	GPABEBRHDWAKSY-KYTHIUCFSA-N	190.330	4.645	30	1	AJEF	
C=C1/C=C/C(C)(C)CCC/C=C/CC1	238762014	GPABEBRHDWAKSY-JOKBTEAVSA-N	190.330	4.645	30	1	AJEF	
C=CCCC=CCCCCCCC	2356470112	ODMNOSMBBUQPGW-UHFFFAOYSA-N	180.335	4.869	30	1	AJEF	
C=C[C@]1(C)CCC(=CC)C[C@@H]1C(=C)C	2356607070	OQFCDULGZUFMNS-ZIAGYGMSSA-N	190.330	4.501	30	1	AJEF	
C=CC/C=C\C/C=C/CCCCC	111966538	BCEQUJFGDSSSKU-KJYBWWTASA-N	178.319	4.645	30	1	AJEF	
C=CCC/C=C/CCCCCCC	86001997	ODMNOSMBBUQPGW-PKNBQFBNSA-N	180.335	4.869	30	1	AJEF	endogenous,in-man
C=CCCC[C@H](C)C1=CC=C(C)CC1	85856502	NIOHMVMTJUYICJ-ZDUSSCGKSA-N	190.330	4.645	30	1	AJEF	
C=CCC/C=C\CC/C=C/C=C(C)C	195760302	JSNIXUNQFVQSSK-OFALOCIGSA-N	190.330	4.811	30	1	AJEF