smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1c(C)[nH]c(/N=N\c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C	ZINC000102386056	209234302	/nfs/dbraw/zinc/23/43/02/209234302.db2.gz	VAQXTCJUNSCZIN-VXPUYCOJSA-N	-2	0	359.338	3.620	1	10		FHCFRL
COc1cccc2c1c(Cl)c([N+](=O)[O-])c1c(C(=O)[O-])cc(O)c(O)c21	ZINC000045375064	208331204	/nfs/dbraw/zinc/33/12/04/208331204.db2.gz	VCNGTVPMEVKOFO-UHFFFAOYSA-N	-2	0	363.709	3.673	1	10		FHCFRL
COC1=C(C(=O)[O-])C(=O)C(=NNc2ccc(O)c(C(=O)[O-])c2)c2occc21	ZINC000064516522	221148302	/nfs/dbraw/zinc/14/83/02/221148302.db2.gz	MXGPNHKVPDVPKI-VHEBQXMUSA-N	-2	0	372.289	3.664	1	10		FHCFRL
O=C([O-])c1cccc2c1N[C@@H](c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	ZINC000169313241	222560442	/nfs/dbraw/zinc/56/04/42/222560442.db2.gz	GQCJWYDFODGKMZ-PEBVRCNWSA-N	-2	0	352.346	3.825	1	10		FHCFRL
O=C([O-])c1cccc2c1N[C@@H](c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21	ZINC000169313239	222559914	/nfs/dbraw/zinc/55/99/14/222559914.db2.gz	GQCJWYDFODGKMZ-QFSBIZTOSA-N	-2	0	352.346	3.825	1	10		FHCFRL
CCOC(=O)c1c(C)[nH]c(/N=N/c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C	ZINC000013637781	220080731	/nfs/dbraw/zinc/08/07/31/220080731.db2.gz	VAQXTCJUNSCZIN-FMQUCBEESA-N	-2	0	359.338	3.620	1	10		FHCFRL
O=C1C=CC(=NNc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)C([O-])=C1	ZINC000013584290	220077408	/nfs/dbraw/zinc/07/74/08/220077408.db2.gz	JQBUVPRAKRZKRZ-ZCXUNETKSA-N	-2	0	360.347	3.619	1	10		FHCFRL