smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC(=O)N(Cc1ccc2c(c1)c(=O)c1ccccc1cc2-c1nnn[n-]1)[C@H](C(=O)[O-])C(C)C	ZINC000013742164	562987277	/nfs/dbraw/zinc/98/72/77/562987277.db2.gz	YYMAPZOOTHITQF-DEOSSOPVSA-N	-2	0	487.560	4.161	1	5		JIBFRL
CCOc1nc2cccc(C(=O)[O-])c2n1Cc1ccc2c(c1)c(=O)c1ccccc1cc2-c1nnn[n-]1	ZINC000013742162	562987183	/nfs/dbraw/zinc/98/71/83/562987183.db2.gz	UBAQZYYLQLWDFS-UHFFFAOYSA-N	-2	0	492.495	4.028	1	5		JIBFRL
Cc1nc2ccc3ccc(CNc4ccc(C(=O)C[C@H](CCC(=O)[O-])C(=O)[O-])cc4)cc3c2c(=O)[nH]1	ZINC000045229486	563180766	/nfs/dbraw/zinc/18/07/66/563180766.db2.gz	HNZJLHRNZCZUCM-IBGZPJMESA-N	-2	0	487.512	4.135	1	5		JIBFRL
Cc1nc2ccc3ccc(CNc4ccc(C(=O)C[C@@H](CCC(=O)[O-])C(=O)[O-])cc4)cc3c2c(=O)[nH]1	ZINC000045229483	563180815	/nfs/dbraw/zinc/18/08/15/563180815.db2.gz	HNZJLHRNZCZUCM-LJQANCHMSA-N	-2	0	487.512	4.135	1	5		JIBFRL
CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc2c(c1)c(=O)c1ccccc1cc2-c1nnn[n-]1	ZINC000013742161	562987288	/nfs/dbraw/zinc/98/72/88/562987288.db2.gz	CWRWYPBWBJZCSR-UHFFFAOYSA-N	-2	0	488.935	4.472	1	5		JIBFRL
O=c1oc2ccccc2c([O-])c1C(c1ccc([N+](=O)[O-])cc1)c1c(=O)oc2ccccc2c1[O-]	ZINC000013137083	562961654	/nfs/dbraw/zinc/96/16/54/562961654.db2.gz	XBKXBRCTEOYKDB-UHFFFAOYSA-N	-2	0	457.394	4.399	1	5		JIBFRL
CCC[C@H]1O[C@@]1(C)c1cc(=O)c2c(CC(=O)[O-])cc3cc4c(c([O-])c3c2o1)C(=O)CC[C@@H]4OC(C)=O	ZINC000013890089	560220912	/nfs/dbraw/zinc/22/09/12/560220912.db2.gz	UILRBVIPTXHVIG-DSNGTPCMSA-N	-2	0	494.496	4.274	1	5	in-vitro	JIBFRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000016183429	563013041	/nfs/dbraw/zinc/01/30/41/563013041.db2.gz	KAWKOCYHRZERMG-UHFFFAOYSA-N	-3	0	497.511	4.055	3	5		JIBFRL
CCCc1c2nc(C(=O)[O-])cc(NC(=O)Nc3ccccc3)c2cc2c(=O)cc(C(=O)[O-])oc21	ZINC000029230805	563099031	/nfs/dbraw/zinc/09/90/31/563099031.db2.gz	WWFMINPAMCBWDY-UHFFFAOYSA-N	-2	0	461.430	4.334	1	5		JIBFRL
O=C([O-])CCCCCCCOc1ccc(NC(=O)C2=C([O-])CN(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000013440317	562962969	/nfs/dbraw/zinc/96/29/69/562962969.db2.gz	ATIOCNGHDSWCGA-UHFFFAOYSA-N	-2	0	497.504	4.196	1	5		JIBFRL
O=c1oc2ccccc2c([O-])c1C(c1cc([N+](=O)[O-])ccc1[O-])c1c(=O)oc2ccccc2c1[O-]	ZINC000040391095	563137749	/nfs/dbraw/zinc/13/77/49/563137749.db2.gz	ZFYAQCFDZHJAFS-UHFFFAOYSA-N	-3	0	473.393	4.105	1	5		JIBFRL