smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCc1c(O)c(O)ccc1-c1coc2cc([O-])cc([O-])c2c1=O	ZINC000014762991	560225763	/nfs/dbraw/zinc/22/57/63/560225763.db2.gz	XIUMMQJDWWYGHD-UHFFFAOYSA-N	-2	3	354.358	3.791	1	10	in-vitro	FHCFHL
O=C([O-])c1cc2cc(O)c([O-])cc2c(C(=O)c2ccc3ccccc3c2)n1	ZINC000013470147	204531351	/nfs/dbraw/zinc/53/13/51/204531351.db2.gz	XIFAVPVMZDXWME-UHFFFAOYSA-N	-2	3	359.337	3.728	1	10		FHCFHL
O=C([O-])c1cc2cc([O-])c(O)cc2c(C(=O)c2ccc3ccccc3c2)n1	ZINC000013470147	204531356	/nfs/dbraw/zinc/53/13/56/204531356.db2.gz	XIFAVPVMZDXWME-UHFFFAOYSA-N	-2	3	359.337	3.728	1	10		FHCFHL
CCCCC(=O)Oc1cc([O-])cc2oc(-c3ccc([O-])c(O)c3)cc(=O)c12	ZINC000064447341	205298455	/nfs/dbraw/zinc/29/84/55/205298455.db2.gz	HQRKKPXEQUFHKU-UHFFFAOYSA-N	-2	3	370.357	3.672	1	10		FHCFHL
COc1cc2c(c([O-])c1CC=C(C)C)C(=O)c1c([O-])cc(C)cc1C2=O	ZINC000014815072	291077438	/nfs/dbraw/zinc/07/74/38/291077438.db2.gz	ALEADBNEUMOAQO-UHFFFAOYSA-N	-2	3	352.386	3.699	1	10	biogenic,in-vitro	FHCFHL
CC(C)=CCc1c([O-])cc2occ(-c3ccc(O)c(O)c3)c(=O)c2c1[O-]	ZINC000014763007	220132095	/nfs/dbraw/zinc/13/20/95/220132095.db2.gz	URGGLJWRKAXLOT-UHFFFAOYSA-N	-2	3	354.358	3.791	1	10		FHCFHL
Cc1cc2c(c([O-])c1C(=O)CCC(C)C)C(=O)c1c([O-])cccc1C2=O	ZINC000095577195	209082661	/nfs/dbraw/zinc/08/26/61/209082661.db2.gz	OAWSKJJZFQTYDQ-UHFFFAOYSA-N	-2	3	352.386	3.801	1	10		FHCFHL
CC(C)=CCc1c([O-])cc([O-])c2c(=O)cc(-c3ccc(O)c(O)c3)oc12	ZINC000014762763	220132243	/nfs/dbraw/zinc/13/22/43/220132243.db2.gz	WLZYCSNLBZYEHT-UHFFFAOYSA-N	-2	3	354.358	3.791	1	10		FHCFHL
COc1cccc2c1c(Cl)c([N+](=O)[O-])c1c(C(=O)[O-])cc(O)c([O-])c21	ZINC000045375064	208331210	/nfs/dbraw/zinc/33/12/10/208331210.db2.gz	VCNGTVPMEVKOFO-UHFFFAOYSA-N	-2	3	363.709	3.673	1	10		FHCFHL
Cc1cc(C)c(C(=O)c2nc(C(=O)[O-])cc3cc(O)c([O-])cc32)c(C)c1	ZINC000013490145	211036336	/nfs/dbraw/zinc/03/63/36/211036336.db2.gz	HIXQCROOMFKCLD-UHFFFAOYSA-N	-2	3	351.358	3.500	1	10		FHCFHL
Cc1cc(C)c(C(=O)c2nc(C(=O)[O-])cc3cc([O-])c(O)cc32)c(C)c1	ZINC000013490145	211036339	/nfs/dbraw/zinc/03/63/39/211036339.db2.gz	HIXQCROOMFKCLD-UHFFFAOYSA-N	-2	3	351.358	3.500	1	10		FHCFHL
CC[C@H](C)CCc1c([O-])c(C)c(O)c2c1C(=O)c1c([O-])cccc1C2=O	ZINC000071297030	221341436	/nfs/dbraw/zinc/34/14/36/221341436.db2.gz	AEKIVMGNSYCSFZ-JTQLQIEISA-N	-2	3	354.402	3.866	1	10		FHCFHL
O=C([O-])c1cc2cc(O)c([O-])cc2c(C(=O)c2cccc3ccccc32)n1	ZINC000013470146	211033733	/nfs/dbraw/zinc/03/37/33/211033733.db2.gz	PJXFJCFLPQNCFQ-UHFFFAOYSA-N	-2	3	359.337	3.728	1	10		FHCFHL
O=C([O-])c1cc2cc([O-])c(O)cc2c(C(=O)c2cccc3ccccc32)n1	ZINC000013470146	211033736	/nfs/dbraw/zinc/03/37/36/211033736.db2.gz	PJXFJCFLPQNCFQ-UHFFFAOYSA-N	-2	3	359.337	3.728	1	10		FHCFHL
COc1cc2c(c([O-])c1/C=C/C(C)C)C(=O)c1c([O-])cc(C)cc1C2=O	ZINC000014883285	220135201	/nfs/dbraw/zinc/13/52/01/220135201.db2.gz	FMUNWYQUOSZHBF-AATRIKPKSA-N	-2	3	352.386	3.859	1	10	biogenic,in-vitro	FHCFHL
O=C1C=CC(=NNc2c([O-])cc(S(=O)(=O)[O-])c3ccccc32)C([O-])=C1	ZINC000013584290	220077415	/nfs/dbraw/zinc/07/74/15/220077415.db2.gz	JQBUVPRAKRZKRZ-ZCXUNETKSA-N	-3	3	360.347	3.619	1	10		FHCFHL
CC(C)=C[C@@H]1Oc2cc(O)c(O)cc2-c2oc3cc([O-])cc([O-])c3c(=O)c21	ZINC000013414919	220067277	/nfs/dbraw/zinc/06/72/77/220067277.db2.gz	FHPPAZXTEIAPBK-HNNXBMFYSA-N	-2	3	368.341	3.682	1	10		FHCFHL