smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2ccc3cc(CC(=O)[O-])c4cccc(C)c4c3c12	ZINC000001599981	563287433	/nfs/dbraw/zinc/28/74/33/563287433.db2.gz	KAXGGFFVOPYXOL-UHFFFAOYSA-N	-1	0	314.384	5.390	40	5		DKBBRM
O=C([O-])CSc1cc2c3ccccc3sc2c2ccccc12	ZINC000001607740	563287569	/nfs/dbraw/zinc/28/75/69/563287569.db2.gz	ANPRXDZAZGZGHM-UHFFFAOYSA-N	-1	0	324.426	5.384	40	5		DKBBRM
O=C([O-])c1cc2ccc(Cl)cc2c2cc(C(F)(F)F)ccc12	ZINC000001723898	563924876	/nfs/dbraw/zinc/92/48/76/563924876.db2.gz	SKCSHFCBSMHEQY-UHFFFAOYSA-N	-1	0	324.685	5.363	40	5		DKBBRM
O=C([O-])c1cscc1-c1c2ccccc2cc2ccccc21	ZINC000001763634	563895968	/nfs/dbraw/zinc/89/59/68/563895968.db2.gz	NLJOONPJBMFOKH-UHFFFAOYSA-N	-1	0	304.370	5.420	40	5		DKBBRM
O=C([O-])CCCCCc1ccc2ccc3cccc4ccc1c2c34	ZINC000002572089	563309738	/nfs/dbraw/zinc/30/97/38/563309738.db2.gz	NIFCSIAVYVXOTG-UHFFFAOYSA-N	-1	0	316.400	5.772	40	5		DKBBRM
O=[N+]([O-])c1c(-c2ccccc2)c2cc(Cl)ccc2[n-]c1=S	ZINC000005999703	181304656	/nfs/dbraw/zinc/30/46/56/181304656.db2.gz	GRABTKNZWLFKCU-UHFFFAOYSA-N	-1	0	316.769	5.126	40	5		DKBBRM