smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc1-n1[nH]c(C(=O)[O-])cc1=O	ZINC000004016142	530072746	/nfs/dbraw/zinc/07/27/46/530072746.db2.gz	SEYODHVKSAPCBO-UHFFFAOYSA-N	-3	1	378.340	-0.334	50	10		GBCAML
Cc1cc(S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc1-n1[n-]c(C(=O)[O-])cc1=O	ZINC000004016142	530072743	/nfs/dbraw/zinc/07/27/43/530072743.db2.gz	SEYODHVKSAPCBO-UHFFFAOYSA-N	-4	1	378.340	-0.334	50	10		GBCAML
Nc1ccc(C[C@@H](C[NH+](CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000025757832	570418839	/nfs/dbraw/zinc/41/88/39/570418839.db2.gz	RPBJIOJIMOUOIN-ZDUSSCGKSA-N	-3	1	397.384	-0.878	50	10		GBCAML
Nc1ccc(C[C@H](C[NH+](CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000025757836	570418829	/nfs/dbraw/zinc/41/88/29/570418829.db2.gz	RPBJIOJIMOUOIN-CYBMUJFWSA-N	-3	1	397.384	-0.878	50	10		GBCAML