smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)/C(=C\c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C(=O)[N-]C1=S	ZINC000408545191	555794482	/nfs/dbraw/zinc/79/44/82/555794482.db2.gz	ZSPDGHWHFTXWBX-YBEGLDIGSA-N	-2	1	435.461	2.794	40	30		IFEBML
C=CCN1C(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)[N-]C1=S	ZINC000408902089	556882510	/nfs/dbraw/zinc/88/25/10/556882510.db2.gz	FTFCQRLVUMPQEP-XBXARRHUSA-N	-2	1	446.120	2.730	40	30		IFEBML
CCOC(=O)C(C1=C([O-])C(=O)c2ccccc2C1=O)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000001709646	555710219	/nfs/dbraw/zinc/71/02/19/555710219.db2.gz	FNWQCORNSZFAMW-UHFFFAOYSA-N	-2	1	432.384	2.948	40	30		IFEBML
CCOC(=O)C(C1=C([O-])c2ccccc2C(=O)C1=O)C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000001709646	555710221	/nfs/dbraw/zinc/71/02/21/555710221.db2.gz	FNWQCORNSZFAMW-UHFFFAOYSA-N	-2	1	432.384	2.948	40	30		IFEBML