smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[C@@]1(C)SC(O)=C(C)C1=O	ZINC000101074687	171382971	/nfs/dbraw/zinc/38/29/71/171382971.db2.gz	BXDUBZQDISHBOW-QUBYGPBYSA-N	0	2	200.303	2.897	1	30		BFEFLN
CC1=C2C(=O)O[C@@H](c3ccoc3)[C@@]2(C)CCC1=O	ZINC000015217822	560229451	/nfs/dbraw/zinc/22/94/51/560229451.db2.gz	CGHVUSLIWOGTID-JSGCOSHPSA-N	0	2	246.262	2.563	1	30	biogenic,in-vitro	BFEFLN
C=C(C)[C@H]1CC2=C(O1)C(=O)c1occ(C)c1C2=O	ZINC000013459116	290767361	/nfs/dbraw/zinc/76/73/61/290767361.db2.gz	NBEKXDAUYUYRQM-SECBINFHSA-N	0	2	244.246	2.586	1	30	biogenic,in-vitro	BFEFLN
CC[C@@H](C)[C@]1(C)SC(O)=C(C)C1=O	ZINC000101074688	170802145	/nfs/dbraw/zinc/80/21/45/170802145.db2.gz	BXDUBZQDISHBOW-LDWIPMOCSA-N	0	2	200.303	2.897	1	30		BFEFLN
Cc1ccccc1C(O)=C1C(=O)CCCC1=O	ZINC000101261703	179255013	/nfs/dbraw/zinc/25/50/13/179255013.db2.gz	HITZJWHONAXXPD-UHFFFAOYSA-N	0	2	230.263	2.586	1	30		BFEFLN