smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(C(=O)c2ccc(OC)c(O)c2O)cc1	ZINC000008681347	170345000	/nfs/dbraw/zinc/34/50/00/170345000.db2.gz	NTAHJPYHXKMYBL-UHFFFAOYSA-N	0	1	288.299	2.736	3	10	in-vitro	CFCFMN
CCCNC(=O)c1cc(C[NH+](C)C)c([O-])c(C(C)(C)C)c1	ZINC000072170762	176333213	/nfs/dbraw/zinc/33/32/13/176333213.db2.gz	GRLALJCGXMOBRS-UHFFFAOYSA-N	0	1	292.423	2.891	1	10		CFCFMN
O=c1oc2cc(O)ccc2cc1-c1ccc(O)c(O)c1	ZINC000038778467	174155518	/nfs/dbraw/zinc/15/55/18/174155518.db2.gz	YASVZYJJTIRXLS-UHFFFAOYSA-N	0	1	270.240	2.577	1	10		CFCFMN
Cc1[nH]oc(=O)c1N=Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000102712856	185787860	/nfs/dbraw/zinc/78/78/60/185787860.db2.gz	QXOQPPIYXXPNJA-PFONDFGASA-N	0	1	259.225	2.686	1	10		CFCFMN