smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000108223933	569260961	/nfs/dbraw/zinc/26/09/61/569260961.db2.gz	MMRXYZUTHOQUAG-VVRYKASASA-N	-2	1	445.475	3.407	40	10		IGCBML
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000108223925	569260941	/nfs/dbraw/zinc/26/09/41/569260941.db2.gz	MMRXYZUTHOQUAG-CPEHUTGBSA-N	-2	1	445.475	3.407	40	10		IGCBML
Cc1cc(S(=O)(=O)[O-])ccc1NN=C1C=C(S(=O)(=O)[O-])C2=CC=CC(=O)C2=C1O	ZINC000038188769	556612383	/nfs/dbraw/zinc/61/23/83/556612383.db2.gz	KDPMZCPWKPCERU-HNENSFHCSA-N	-2	1	438.439	3.468	40	10		IGCBML
O=C1[N-]C(=S)S/C1=C/c1cc(Br)c([O-])c(I)c1	ZINC000408738250	556199977	/nfs/dbraw/zinc/19/99/77/556199977.db2.gz	SRXGALMCKZAICT-XVNBXDOJSA-N	-2	1	442.097	3.248	40	10		IGCBML
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)[O-])cc1	ZINC000035387642	569260183	/nfs/dbraw/zinc/26/01/83/569260183.db2.gz	PBAHTDCHCWASRX-BKUYFWCQSA-N	-2	1	431.448	3.019	40	10		IGCBML
O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1	ZINC000409072749	556946249	/nfs/dbraw/zinc/94/62/49/556946249.db2.gz	DFGQHPJXPRYBNR-UHFFFAOYSA-N	-2	1	435.219	3.020	40	10		IGCBML
O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1	ZINC000409072749	556946250	/nfs/dbraw/zinc/94/62/50/556946250.db2.gz	DFGQHPJXPRYBNR-UHFFFAOYSA-N	-2	1	435.219	3.020	40	10		IGCBML
Cc1cc(S(=O)(=O)[O-])ccc1NN=C1C=C(S(=O)(=O)[O-])C2=CC=CC(=O)C2=C1O	ZINC000006133712	556076732	/nfs/dbraw/zinc/07/67/32/556076732.db2.gz	KDPMZCPWKPCERU-VHEBQXMUSA-N	-2	1	438.439	3.468	40	10		IGCBML