smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2cc(C(=O)[O-])c3cc([N+](=O)[O-])ccc3n2)cc1	ZINC000103577172	569836294	/nfs/dbraw/zinc/83/62/94/569836294.db2.gz	YZXFQAUKJRZHFK-RMLRFSFXSA-N	-2	0	494.467	4.699	10	30		JJEERL
O=C([O-])c1ccccc1N=Nc1c(=O)n(-c2nc(-c3ccccc3)cs2)[n-]c1-c1ccccc1	ZINC000103333414	130626885	/nfs/dbraw/zinc/62/68/85/130626885.db2.gz	PRBFGEYDGKUNHQ-SLMZUGIISA-N	-2	0	467.510	4.727	10	30		JJEERL
CN1C(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)S/C1=N/c1cccc(C(=O)[O-])c1	ZINC000102630648	536305530	/nfs/dbraw/zinc/30/55/30/536305530.db2.gz	XPVWDZSLPUZSIS-JRTJPACLSA-N	-2	0	488.521	4.896	10	30		JJEERL
CN1C(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000102644575	536305891	/nfs/dbraw/zinc/30/58/91/536305891.db2.gz	ATQQCYRVZLOUHD-JRTJPACLSA-N	-2	0	488.521	4.896	10	30		JJEERL