smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)C(=CNc2ccc(Oc3ccc(NC=C4C(=O)[N-]C(=O)NC4=O)cc3)cc2)C(=O)N1	ZINC000003026304	194211335	/nfs/dbraw/zinc/21/13/35/194211335.db2.gz	FRZMAZWTUGUVLR-UHFFFAOYSA-N	-2	3	476.405	0.803	40	10		JCCBHL
O=c1[n-]c(=S)n(-c2ccccc2)c(O)c1C=C1C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000103844931	569838310	/nfs/dbraw/zinc/83/83/10/569838310.db2.gz	BUIUQIGIXIYGGG-KADHNRKRSA-N	-2	3	478.442	0.989	40	10		JCCBHL
O=c1[n-]c(=S)n(-c2ccccc2)c([O-])c1C=C1C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000103844931	569838309	/nfs/dbraw/zinc/83/83/09/569838309.db2.gz	BUIUQIGIXIYGGG-KADHNRKRSA-N	-3	3	478.442	0.989	40	10		JCCBHL
O=c1[n-]c(=S)n(-c2ccccc2)c(O)c1C=C1C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000103844939	569838298	/nfs/dbraw/zinc/83/82/98/569838298.db2.gz	BUIUQIGIXIYGGG-SSUFTNFISA-N	-2	3	478.442	0.989	40	10		JCCBHL
O=c1[n-]c(=S)n(-c2ccccc2)c([O-])c1C=C1C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000103844939	569838295	/nfs/dbraw/zinc/83/82/95/569838295.db2.gz	BUIUQIGIXIYGGG-SSUFTNFISA-N	-3	3	478.442	0.989	40	10		JCCBHL