smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1cccc(C(=O)[O-])c1	ZINC000252642970	570419676	/nfs/dbraw/zinc/41/96/76/570419676.db2.gz	ZSECGHCATMNBLV-YUJDFUAPSA-N	-1	2	399.384	3.232	40	30		GGEBLM
CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(C(=O)[O-])cc1	ZINC000408961430	530039658	/nfs/dbraw/zinc/03/96/58/530039658.db2.gz	CEUWTUBSAMQNBY-VHEPSXJQSA-N	-1	2	399.384	3.232	40	30		GGEBLM
C=CCc1cc(/C=[NH+]/Cc2ccc(C(=O)[O-])cc2)cc(OC)c1OCC(=O)[O-]	ZINC000059678534	570660975	/nfs/dbraw/zinc/66/09/75/570660975.db2.gz	KLQIKGTYOTVNKS-WSDLNYQXSA-N	-1	2	383.400	3.204	40	30		GGEBLM
COc1cccc(/C(CC(=O)[O-])=[NH+]\CCc2c[nH]c3ccccc23)c1C(=O)[O-]	ZINC000017158884	525756868	/nfs/dbraw/zinc/75/68/68/525756868.db2.gz	WPCPIRGKWXAMTC-XLNRJJMWSA-N	-1	2	380.400	3.381	40	30		GGEBLM
COc1cccc(/C(CC(=O)[O-])=[NH+]/CCc2c[nH]c3ccccc23)c1C(=O)[O-]	ZINC000005479695	570441638	/nfs/dbraw/zinc/44/16/38/570441638.db2.gz	WPCPIRGKWXAMTC-OQKWZONESA-N	-1	2	380.400	3.381	40	30		GGEBLM
C=CCc1cc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc(OC)c1OCC(=O)[O-]	ZINC000059247996	570652707	/nfs/dbraw/zinc/65/27/07/570652707.db2.gz	OXQOVTJRBAHEIU-KEBDBYFISA-N	-1	2	386.360	3.252	40	30		GGEBLM