smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000008618462	527615877	/nfs/dbraw/zinc/61/58/77/527615877.db2.gz	YDDGKXBLOXEEMN-XAKUNQSDSA-N	-2	0	474.374	1.228	10	10	biogenic,in-vitro	JDCERL
Nc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)[O-]	ZINC000003873984	562929739	/nfs/dbraw/zinc/92/97/39/562929739.db2.gz	VZKVROOYNMPMLU-UHFFFAOYSA-N	-2	0	489.487	1.863	10	10		JDCERL
O=C([O-])[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000013385608	581101932	/nfs/dbraw/zinc/10/19/32/581101932.db2.gz	YDDGKXBLOXEEMN-JJEVQXEWSA-N	-2	0	474.374	1.228	10	10	endogenous,in-man	JDCERL
N=Nc1cc(S(=O)(=O)[O-])ccc1-c1c(C(=O)[O-])[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c1=O	ZINC000096347177	130074338	/nfs/dbraw/zinc/07/43/38/130074338.db2.gz	QIGXVASTXNHRHP-ZDUSSCGKSA-N	-4	0	468.425	1.413	10	10		JDCERL
Nc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)ccc1S(=O)(=O)[O-]	ZINC000031291954	563107935	/nfs/dbraw/zinc/10/79/35/563107935.db2.gz	ZOHPJXCEVYGLJT-UHFFFAOYSA-N	-2	0	489.487	1.863	10	10		JDCERL
Nc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)[O-])c1	ZINC000031319354	563107947	/nfs/dbraw/zinc/10/79/47/563107947.db2.gz	TUYZCJKTGCNVOA-UHFFFAOYSA-N	-2	0	489.487	1.863	10	10		JDCERL