smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(Cl)cc(Cl)cc1CN(Cc1cc(Cl)cc(Cl)c1[O-])c1ccccc1	ZINC000001679795	555709257	/nfs/dbraw/zinc/70/92/57/555709257.db2.gz	UMAYAMDWTKDSBZ-UHFFFAOYSA-N	-2	0	443.157	6.918	40	10		IKCBRL
Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408634051	556010290	/nfs/dbraw/zinc/01/02/90/556010290.db2.gz	OEYJIYQMPFOEFY-NDENLUEZSA-N	-2	0	434.473	5.151	40	10		IKCBRL
O=c1[nH]c2ccccc2c([O-])c1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000017970330	556680483	/nfs/dbraw/zinc/68/04/83/556680483.db2.gz	QPJSTTPQEFBUTQ-QSZPNPOGSA-N	-2	0	449.448	5.724	40	10		IKCBRL
O=c1[nH]c2ccccc2c([O-])c1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000104366946	557325722	/nfs/dbraw/zinc/32/57/22/557325722.db2.gz	QPJSTTPQEFBUTQ-RIIXPHEHSA-N	-2	0	449.448	5.724	40	10		IKCBRL
O=c1[nH]c2ccccc2c([O-])c1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000104366942	557325856	/nfs/dbraw/zinc/32/58/56/557325856.db2.gz	QPJSTTPQEFBUTQ-HXEHWPEMSA-N	-2	0	449.448	5.724	40	10		IKCBRL
Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408632977	557081770	/nfs/dbraw/zinc/08/17/70/557081770.db2.gz	IJZPHCDRWLBXMQ-NDENLUEZSA-N	-2	0	434.473	5.151	40	10		IKCBRL
O=c1[nH]c2ccccc2c([O-])c1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000104366937	557325682	/nfs/dbraw/zinc/32/56/82/557325682.db2.gz	QPJSTTPQEFBUTQ-RUFRKCMOSA-N	-2	0	449.448	5.724	40	10		IKCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)C1=O	ZINC000059104983	557814600	/nfs/dbraw/zinc/81/46/00/557814600.db2.gz	FBPGFZXVSHHAST-CPNJWEJPSA-N	-2	0	444.443	5.022	40	10		IKCBRL
O=C([O-])C1=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)C=CC1=O	ZINC000004268052	555980712	/nfs/dbraw/zinc/98/07/12/555980712.db2.gz	VVHOUPGUNISBKS-RLJRJAJVSA-N	-2	0	426.410	5.168	40	10		IKCBRL
CC1=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)C=C(C(=O)[O-])C1=O	ZINC000005663982	556061962	/nfs/dbraw/zinc/06/19/62/556061962.db2.gz	MZTTYRHRQVDPIL-RLPYSRNMSA-N	-2	0	440.437	5.476	40	10		IKCBRL
O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000008765567	556212016	/nfs/dbraw/zinc/21/20/16/556212016.db2.gz	WOOJDBOLDLDJHK-SDXDJHTJSA-N	-2	0	449.594	5.182	40	10		IKCBRL
CC1=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)C=C(C(=O)[O-])C1=O	ZINC000103836105	557318473	/nfs/dbraw/zinc/31/84/73/557318473.db2.gz	MZTTYRHRQVDPIL-ICHHBZPXSA-N	-2	0	440.437	5.476	40	10		IKCBRL
O=S(=O)([O-])c1ccc(/N=N/c2ccc(/N=N/c3ccc(S(=O)(=O)[O-])cc3)cc2)cc1	ZINC000004266014	527260413	/nfs/dbraw/zinc/26/04/13/527260413.db2.gz	WPRIAWYSRMCFKP-FLFKKZLDSA-N	-2	0	446.466	5.011	40	10		IKCBRL
CC1=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)C=C(C(=O)[O-])C1=O	ZINC000103836109	557318521	/nfs/dbraw/zinc/31/85/21/557318521.db2.gz	MZTTYRHRQVDPIL-KATZTRTISA-N	-2	0	440.437	5.476	40	10		IKCBRL
CC1=CC(=NNc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)cc2)C=C(C(=O)[O-])C1=O	ZINC000103836114	557318531	/nfs/dbraw/zinc/31/85/31/557318531.db2.gz	MZTTYRHRQVDPIL-ZCAPXNBXSA-N	-2	0	440.437	5.476	40	10		IKCBRL