smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC(=O)C(=O)c1ccc([O-])c(C)c1[O-]	ZINC000001561428	343482408	/nfs/dbraw/zinc/48/24/08/343482408.db2.gz	UFCLJUUVSAEUKM-UHFFFAOYSA-N	-2	3	222.240	1.958	40	10		BDCBHL
Cc1c([O-])ccc(C(=O)C(=O)C(C)C)c1[O-]	ZINC000001563293	363318397	/nfs/dbraw/zinc/31/83/97/363318397.db2.gz	ZKOQAOHEUDWMGL-UHFFFAOYSA-N	-2	3	222.240	1.814	40	10		BDCBHL
O=C([O-])c1ccc(Br)c([O-])c1O	ZINC000040448786	526361454	/nfs/dbraw/zinc/36/14/54/526361454.db2.gz	DCHSBPLKXWBLIT-UHFFFAOYSA-N	-2	3	233.017	1.559	40	10		BDCBHL
CCC(=O)C(=O)c1ccc([O-])c(C)c1[O-]	ZINC000001561427	168196566	/nfs/dbraw/zinc/19/65/66/168196566.db2.gz	MUOSUIHMKKAXNS-UHFFFAOYSA-N	-2	3	208.213	1.568	40	10		BDCBHL
O=C(c1ccc([O-])c(O)c1)c1ccc(O)cc1[O-]	ZINC000002512313	342721699	/nfs/dbraw/zinc/72/16/99/342721699.db2.gz	UQQYIAVMUUJWGX-UHFFFAOYSA-N	-2	3	246.218	1.740	40	10		BDCBHL
O=C1C=CC(=NN=c2nc[nH][n-]2)C([O-])=C1	ZINC000005344237	183267168	/nfs/dbraw/zinc/26/71/68/183267168.db2.gz	CJVFCRNUSLAWGY-ACCUITESSA-N	-2	3	205.177	1.631	40	10		BDCBHL
CCCC(=O)C(=O)c1ccc([O-])cc1[O-]	ZINC000001563290	188274552	/nfs/dbraw/zinc/27/45/52/188274552.db2.gz	GKWJOIQVWKQGSV-UHFFFAOYSA-N	-2	3	208.213	1.650	40	10		BDCBHL
O=C([O-])c1scc(Br)c1[O-]	ZINC000084227793	359808238	/nfs/dbraw/zinc/80/82/38/359808238.db2.gz	YMLAKKSHBUZQFA-UHFFFAOYSA-N	-2	3	223.047	1.914	40	10		BDCBHL
CCC=CC(=O)c1c([O-])ccc(O)c1[O-]	ZINC000005132830	342758758	/nfs/dbraw/zinc/75/87/58/342758758.db2.gz	WGGOBKYQLMXALJ-NSCUHMNNSA-N	-2	3	208.213	1.952	40	10		BDCBHL