smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(C=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000013955270	555659587	/nfs/dbraw/zinc/65/95/87/555659587.db2.gz	VNVGSIFYDBHFGG-XBXARRHUSA-N	-2	1	462.231	4.035	40	5		JIBBML
O=c1[n-]c(C=Cc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409326350	570202150	/nfs/dbraw/zinc/20/21/50/570202150.db2.gz	ASRKWZSYZGXPJN-FPYGCLRLSA-N	-2	1	489.238	4.216	40	5		JIBBML
O=C(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1)Nc1c(Cl)cccc1Cl	ZINC000408609186	569972012	/nfs/dbraw/zinc/97/20/12/569972012.db2.gz	ZEGQGPZCXZLIAB-RMKNXTFCSA-N	-2	1	477.260	4.291	40	5		JIBBML
CCn1c(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408631492	569982980	/nfs/dbraw/zinc/98/29/80/569982980.db2.gz	FFQWADAMPVSJDN-CXUHLZMHSA-N	-2	1	476.898	4.459	40	5		JIBBML
COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])C(=O)[O-])o1	ZINC000408631668	569983135	/nfs/dbraw/zinc/98/31/35/569983135.db2.gz	GDMVSLBMGHBZPU-GIDUJCDVSA-N	-2	1	479.854	4.239	40	5		JIBBML