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-])c1c(=O)c(Cc2ccccc2)c([O-])sc1-c1ccccc1	ZINC000031561848	201388269	/nfs/dbraw/zinc/38/82/69/201388269.db2.gz	IOBTYRBVEGJYFI-UHFFFAOYSA-N	-2	0	338.384	3.770	10	0		EHAERL
O=C([O-])c1ccc2c(c1)[n-]c(=S)n(C1CCCCCCC1)c2=O	ZINC000070460369	203078281	/nfs/dbraw/zinc/07/82/81/203078281.db2.gz	NEYPAWDJNHDREE-UHFFFAOYSA-N	-2	0	332.425	3.669	10	0		EHAERL
O=C([O-])c1c(C(F)F)[n-]sc1=NC(=O)OCc1ccccc1	ZINC000675076842	564113396	/nfs/dbraw/zinc/11/33/96/564113396.db2.gz	SGDNQJPMXMJQQW-UHFFFAOYSA-N	-2	0	328.296	3.528	10	0		EHAERL
O=C([O-])c1cc(-c2ccc(C(=O)[O-])c(F)c2)cc(C(F)(F)F)c1	ZINC000065354021	214873165	/nfs/dbraw/zinc/87/31/65/214873165.db2.gz	NSTJYGRTMCNRCU-UHFFFAOYSA-N	-2	0	328.217	3.908	10	0		EHAERL
O=C([O-])c1c(C(F)(F)F)[n-]sc1=NC(=O)OCc1ccccc1	ZINC000675075878	564113273	/nfs/dbraw/zinc/11/32/73/564113273.db2.gz	FZNIVLWCVWDXJI-UHFFFAOYSA-N	-2	0	346.286	3.609	10	0		EHAERL
Nc1cc(-c2ccc(C(=O)[O-])cc2)ccc1-c1ccc(C(=O)[O-])cc1	ZINC000218360898	564024791	/nfs/dbraw/zinc/02/47/91/564024791.db2.gz	IONBHNFWEFNUEE-UHFFFAOYSA-N	-2	0	333.343	3.999	10	0		EHAERL
CC(C)(O[C@](C(=O)[O-])(c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000169343455	527370705	/nfs/dbraw/zinc/37/07/05/527370705.db2.gz	NJZZFWWWTJNJEN-GOSISDBHSA-N	-2	0	348.782	3.548	10	0		EHAERL
O=C([O-])c1ccccc1Nc1cc(C(F)(F)F)ccc1C(=O)[O-]	ZINC000003630932	210069043	/nfs/dbraw/zinc/06/90/43/210069043.db2.gz	OFIKQKCNUVWFGP-UHFFFAOYSA-N	-2	0	325.242	3.845	10	0		EHAERL
COC(=O)c1ccccc1-c1c([S-])c([S-])ccc1C(=O)OC	ZINC000095944476	563977781	/nfs/dbraw/zinc/97/77/81/563977781.db2.gz	ACICPBZVMHPVTC-UHFFFAOYSA-N	-2	0	334.418	3.504	10	0		EHAERL
Cc1ccc(-c2noc(-c3c([O-])[n-]c4ccc(C)cc4c3=O)n2)cc1	ZINC000085345974	217659857	/nfs/dbraw/zinc/65/98/57/217659857.db2.gz	HKMDXPFRICZVLF-UHFFFAOYSA-N	-2	0	333.347	3.568	10	0		EHAERL
O=C([O-])c1ccccc1Nc1cc(Br)ccc1C(=O)[O-]	ZINC000039435889	213236850	/nfs/dbraw/zinc/23/68/50/213236850.db2.gz	PWTWCZCVKYTSON-UHFFFAOYSA-N	-2	0	336.141	3.589	10	0		EHAERL
O=C([O-])c1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1	ZINC000071392456	215767930	/nfs/dbraw/zinc/76/79/30/215767930.db2.gz	GFOJOCINFDWDMH-UHFFFAOYSA-N	-2	0	326.135	3.650	10	0		EHAERL