smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)NCCc1ccc(O)c(-c2c([O-])c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)[O-])c2C(=O)[O-])C3=O)c1	ZINC000061389537	562702863	/nfs/dbraw/zinc/70/28/63/562702863.db2.gz	IHLWXZNPOVMUFQ-UHFFFAOYSA-N	-3	1	537.433	1.732	10	10	biogenic,in-vitro	KDCEML
[NH3+][C@H](Cc1ccc(O)c(-c2c([O-])c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)[O-])c2C(=O)[O-])C3=O)c1)C(=O)[O-]	ZINC000085994783	291727150	/nfs/dbraw/zinc/72/71/50/291727150.db2.gz	VRXULZFQCGXCRV-SECBINFHSA-N	-3	1	539.405	1.008	10	10	biogenic,in-vitro	KDCEML
Cc1nc(N=Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])c(CC[P@](=O)([O-])O)c(C=O)c1[O-]	ZINC000098052502	554175780	/nfs/dbraw/zinc/17/57/80/554175780.db2.gz	OBOGPAAMELCERR-ISLYRVAYSA-N	-4	1	509.411	1.537	10	10	in-vitro	KDCEML