smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\SC(=S)[N-]C3=O)cc2Cl)cc1	ZINC000408528128	555724712	/nfs/dbraw/zinc/72/47/12/555724712.db2.gz	CPUHDLNQBZTCCP-AUWJEWJLSA-N	-2	1	440.329	4.759	40	10		IJCBML
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000013549078	556514617	/nfs/dbraw/zinc/51/46/17/556514617.db2.gz	LESZHEREKFPFIP-DHDCSXOGSA-N	-2	1	434.677	4.519	40	10		IJCBML
Cc1ccc(S(=O)(=O)[N-]c2c(C)c(Br)c([O-])c(Br)c2C)cc1	ZINC000016779910	556641337	/nfs/dbraw/zinc/64/13/37/556641337.db2.gz	GXMJYURUAFSGKY-UHFFFAOYSA-N	-2	1	449.164	4.643	40	10		IJCBML
Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000408533746	555747879	/nfs/dbraw/zinc/74/78/79/555747879.db2.gz	PACZTLDLLIXJRR-DHDCSXOGSA-N	-2	1	448.704	4.828	40	10		IJCBML