smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)o1	ZINC000408909757	570698032	/nfs/dbraw/zinc/69/80/32/570698032.db2.gz	IJUVNWYAOPEECR-MDWZMJQESA-N	-2	1	370.386	2.210	40	10		FECBML
C[NH+](C)Cc1c([O-])c(Br)c(C(=O)[O-])c(Br)c1[O-]	ZINC000003843503	204112015	/nfs/dbraw/zinc/11/20/15/204112015.db2.gz	QZGXIFCZXPYBPI-UHFFFAOYSA-N	-2	1	369.009	2.383	40	10		FECBML
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1O	ZINC000004992968	263338018	/nfs/dbraw/zinc/33/80/18/263338018.db2.gz	PJJHAMIRCCUOJE-IZZDOVSWSA-N	-2	1	364.785	2.459	40	10		FECBML
O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)[N-]C(=S)NC3=O)o2)ccc1O	ZINC000020064359	539672269	/nfs/dbraw/zinc/67/22/69/539672269.db2.gz	QGTSDTDAIMYNJH-UHFFFAOYSA-N	-2	1	358.331	2.105	40	10		FECBML
O=C([O-])c1cc(-c2ccc(/C=C3\C(=O)[N-]C(=S)NC3=O)o2)ccc1O	ZINC000020064359	539672273	/nfs/dbraw/zinc/67/22/73/539672273.db2.gz	QGTSDTDAIMYNJH-UHFFFAOYSA-N	-2	1	358.331	2.105	40	10		FECBML
O=C([O-])c1cc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)ccc1O	ZINC000020064359	539672278	/nfs/dbraw/zinc/67/22/78/539672278.db2.gz	QGTSDTDAIMYNJH-UHFFFAOYSA-N	-2	1	358.331	2.105	40	10		FECBML
O=C([O-])COc1ccc(C=C2SC(=S)[N-]C2=O)cc1Br	ZINC000408529063	558685603	/nfs/dbraw/zinc/68/56/03/558685603.db2.gz	GWEHDCSUPVMPDH-WTKPLQERSA-N	-2	1	374.237	2.401	40	10		FECBML
O=C([O-])[C@@H]1CC(c2ccc(Cl)cc2)=NN1/C=C1\SC(=S)[N-]C1=O	ZINC000256028235	223001189	/nfs/dbraw/zinc/00/11/89/223001189.db2.gz	ZMVPMSNKPZGYHA-OYUORYAFSA-N	-2	1	367.839	2.192	40	10		FECBML
O=C([O-])[C@H]1CC(c2ccc(Cl)cc2)=NN1/C=C1\SC(=S)[N-]C1=O	ZINC000256028234	549710107	/nfs/dbraw/zinc/71/01/07/549710107.db2.gz	ZMVPMSNKPZGYHA-CHPNCVJKSA-N	-2	1	367.839	2.192	40	10		FECBML
CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)[N-]C1=S	ZINC000409391701	570755847	/nfs/dbraw/zinc/75/58/47/570755847.db2.gz	KVEDVHHIGLLSTO-UKTHLTGXSA-N	-2	1	370.386	2.291	40	10		FECBML
CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)[N-]C1=S	ZINC000409390534	570755905	/nfs/dbraw/zinc/75/59/05/570755905.db2.gz	DZWMVCIFDJOSMI-LCYFTJDESA-N	-2	1	370.386	2.291	40	10		FECBML
O=C([O-])CN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)SC1=S	ZINC000004503495	206177685	/nfs/dbraw/zinc/17/76/85/206177685.db2.gz	KJRDZNXQXQNIKF-RUDMXATFSA-N	-2	1	374.237	2.441	40	10		FECBML
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408533653	558686260	/nfs/dbraw/zinc/68/62/60/558686260.db2.gz	ZSOLUPYBJWGPGU-WTKPLQERSA-N	-2	1	359.812	2.301	40	10		FECBML
Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408914446	558690020	/nfs/dbraw/zinc/69/00/20/558690020.db2.gz	XVTHCFPQGHNNNZ-RIYZIHGNSA-N	-2	1	355.419	2.446	40	10		FECBML
Cc1c(C(=O)[O-])cccc1-c1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)o1	ZINC000408914469	558690004	/nfs/dbraw/zinc/69/00/04/558690004.db2.gz	XYZGXOJNUSOSIF-MDWZMJQESA-N	-2	1	370.386	2.210	40	10		FECBML
COc1cc(C(=O)C(=O)c2cc(OC)c([O-])c(OC)c2)cc(OC)c1[O-]	ZINC000001747332	210368517	/nfs/dbraw/zinc/36/85/17/210368517.db2.gz	BVROSQBQXJYCOZ-UHFFFAOYSA-N	-2	1	362.334	2.198	40	10		FECBML
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)o1	ZINC000408914764	558689675	/nfs/dbraw/zinc/68/96/75/558689675.db2.gz	YVSLITKEXZWHJV-MDWZMJQESA-N	-2	1	370.386	2.210	40	10		FECBML