smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C=C([O-])C=CC1=NNc1cc(Cl)cc(S(=O)(=O)[O-])c1O	ZINC000254017828	244041283	/nfs/dbraw/zinc/04/12/83/244041283.db2.gz	OTKYOGBGHUUFPC-UHFFFAOYSA-N	-2	0	344.732	3.119	40	10		EGCBRL
O=C([O-])c1ccc(CO/N=N\OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000045789079	454183122	/nfs/dbraw/zinc/18/31/22/454183122.db2.gz	KNKCXZHPOIMNJH-ZCXUNETKSA-N	-2	0	330.296	3.099	40	10	in-vitro	EGCBRL
O=C([O-])c1ccc(CO/N=N/OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000045789082	454182730	/nfs/dbraw/zinc/18/27/30/454182730.db2.gz	KNKCXZHPOIMNJH-ISLYRVAYSA-N	-2	0	330.296	3.099	40	10	in-vitro	EGCBRL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000101148991	219117982	/nfs/dbraw/zinc/11/79/82/219117982.db2.gz	RTRFZZGWYCUYAR-GZTJUZNOSA-N	-2	0	335.363	3.412	40	10		EGCBRL
O=C1C=C([O-])C=CC1=NNc1cc(Cl)cc(S(=O)(=O)[O-])c1O	ZINC000100325113	219096502	/nfs/dbraw/zinc/09/65/02/219096502.db2.gz	OTKYOGBGHUUFPC-PFONDFGASA-N	-2	0	344.732	3.119	40	10		EGCBRL