smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2c([O-])c3ccccc3c(Cl)c2C(=O)[C@@H]2CC=CC[C@@H]12	ZINC000000044165	563211755	/nfs/dbraw/zinc/21/17/55/563211755.db2.gz	BCQJUUDWYRSWHD-VXGBXAGGSA-N	-1	1	312.752	4.160	10	10		DICEMM
O=C1c2c(Cl)c3ccccc3c([O-])c2C(=O)[C@H]2CC=CC[C@@H]12	ZINC000108218115	563715569	/nfs/dbraw/zinc/71/55/69/563715569.db2.gz	BCQJUUDWYRSWHD-NEPJUHHUSA-N	-1	1	312.752	4.160	10	10		DICEMM
O=[N+]([O-])c1ccc([O-])c2c1[C@H]1C=CC[C@@H]1[C@@H](c1cccs1)N2	ZINC000014548532	181958018	/nfs/dbraw/zinc/95/80/18/181958018.db2.gz	WROXROXDYGEHGH-YHAQOWFVSA-N	-1	1	314.366	4.188	10	10		DICEMM
O=C1c2c([O-])c3ccccc3c(Cl)c2C(=O)[C@H]2CC=CC[C@H]12	ZINC000108218118	563715408	/nfs/dbraw/zinc/71/54/08/563715408.db2.gz	BCQJUUDWYRSWHD-RYUDHWBXSA-N	-1	1	312.752	4.160	10	10		DICEMM
O=C1c2c([O-])c3ccccc3c(Cl)c2C(=O)[C@H]2CC=CC[C@@H]12	ZINC000108218125	563715424	/nfs/dbraw/zinc/71/54/24/563715424.db2.gz	BCQJUUDWYRSWHD-NWDGAFQWSA-N	-1	1	312.752	4.160	10	10		DICEMM
Cc1ccccc1[C@@H]1Nc2c([O-])ccc([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21	ZINC000014478615	181954933	/nfs/dbraw/zinc/95/49/33/181954933.db2.gz	GVHUZXIKAYTUPS-DEYYWGMASA-N	-1	1	322.364	4.435	10	10		DICEMM