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-])C(=C\c1ccc(Cl)cc1)/C(=C/c1ccc(Cl)cc1)C(=O)[O-]	ZINC000003136268	210452268	/nfs/dbraw/zinc/45/22/68/210452268.db2.gz	MEPWVXYRSORXBM-VULZFCBJSA-N	-2	0	363.196	4.630	50	0		FJAARL
Cc1ccc2nc(-c3ccc(-c4ccccc4C(=O)[O-])o3)cc(C(=O)[O-])c2c1	ZINC000002709851	210414957	/nfs/dbraw/zinc/41/49/57/210414957.db2.gz	YQYKWVRIQXWHRT-UHFFFAOYSA-N	-2	0	373.364	4.867	50	0		FJAARL
C[C@]12CCC[C@@H]1[C@@H]1CC[C@H](CCC(=O)[O-])[C@](C)(CCC(=O)[O-])[C@H]1CC2	ZINC000103208121	571309254	/nfs/dbraw/zinc/30/92/54/571309254.db2.gz	UJKJBNDDMOKPEE-HGWRGTDWSA-N	-2	0	350.499	4.965	50	0		FJAARL
C[C@]12CCC[C@@H]1[C@@H]1CC[C@H](CCC(=O)[O-])[C@@](C)(CCC(=O)[O-])[C@@H]1CC2	ZINC000003843607	570568403	/nfs/dbraw/zinc/56/84/03/570568403.db2.gz	UJKJBNDDMOKPEE-WSYNCDOCSA-N	-2	0	350.499	4.965	50	0		FJAARL
[O-]c1cc2oc3cc([O-])c(Br)cc3c2cc1Br	ZINC000043214967	571133081	/nfs/dbraw/zinc/13/30/81/571133081.db2.gz	LUDGIEPZFQPKOG-UHFFFAOYSA-N	-2	0	357.985	4.522	50	0		FJAARL
C[C@]12CCC[C@@H]1[C@@H]1CC[C@H](CCC(=O)[O-])[C@](C)(CCC(=O)[O-])[C@@H]1CC2	ZINC000245240852	206562022	/nfs/dbraw/zinc/56/20/22/206562022.db2.gz	UJKJBNDDMOKPEE-CHYNRVTJSA-N	-2	0	350.499	4.965	50	0		FJAARL
O=C([O-])c1ccc(C(c2ccc(C(=O)[O-])cc2)C(Cl)(Cl)Cl)cc1	ZINC000003122337	570551916	/nfs/dbraw/zinc/55/19/16/570551916.db2.gz	RLIYWCYKKUIBDP-UHFFFAOYSA-N	-2	0	373.619	4.585	50	0		FJAARL
O=C([O-])c1ccccc1-c1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)o1	ZINC000002709853	570665337	/nfs/dbraw/zinc/66/53/37/570665337.db2.gz	JIQQRAZRBLUGEP-UHFFFAOYSA-N	-2	0	359.337	4.558	50	0		FJAARL
O=C([O-])c1cc2ccc1CCCCc1ccc(c(C(=O)[O-])c1)CCCC2	ZINC000004795416	570607210	/nfs/dbraw/zinc/60/72/10/570607210.db2.gz	PEEILEZCHWIHLD-UHFFFAOYSA-N	-2	0	352.430	4.527	50	0		FJAARL
C[C@]12CCC[C@@H]1[C@@H]1CC[C@H](CCC(=O)[O-])[C@@](C)(CCC(=O)[O-])[C@H]1CC2	ZINC000103208124	571309242	/nfs/dbraw/zinc/30/92/42/571309242.db2.gz	UJKJBNDDMOKPEE-IJQKITLXSA-N	-2	0	350.499	4.965	50	0		FJAARL
O=C([O-])c1ccccc1-c1oc2cc([O-])ccc2c(=O)c1Oc1ccccc1	ZINC000019703085	220285754	/nfs/dbraw/zinc/28/57/54/220285754.db2.gz	IBYUHMKVRXMUFS-UHFFFAOYSA-N	-2	0	374.348	4.656	50	0		FJAARL
O=S(c1cc(Cl)cc(Cl)c1[O-])c1cc(Cl)cc(Cl)c1[O-]	ZINC000000608214	570438128	/nfs/dbraw/zinc/43/81/28/570438128.db2.gz	RPAJWWXZIQJVJF-UHFFFAOYSA-N	-2	0	372.056	4.878	50	0	in-man	FJAARL
CCCCN(CCCC)c1ccc(C(=O)c2ccccc2C(=O)[O-])c([O-])c1	ZINC000002288916	570518523	/nfs/dbraw/zinc/51/85/23/570518523.db2.gz	QPNFUBAIQZJEPO-UHFFFAOYSA-N	-2	0	369.461	4.728	50	0		FJAARL