smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)[O-])s1	ZINC000016385747	526356321	/nfs/dbraw/zinc/35/63/21/526356321.db2.gz	VBGLOZACNIAOQT-UHFFFAOYSA-N	-2	0	480.461	4.053	40	5		JIBBRL
O=C([O-])/C(=C/c1cc(I)c([O-])c([N+](=O)[O-])c1)Sc1nc2ccccc2o1	ZINC000408634620	569985260	/nfs/dbraw/zinc/98/52/60/569985260.db2.gz	SNENBAKFMGLEKN-QPEQYQDCSA-N	-2	0	484.227	4.264	40	5		JIBBRL
O=C([O-])/C(=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-])Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408633249	569984335	/nfs/dbraw/zinc/98/43/35/569984335.db2.gz	JJTBBYOOICQXGJ-MLPAPPSSSA-N	-2	0	464.799	4.130	40	5		JIBBRL
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)[O-])o1	ZINC000408631125	569982720	/nfs/dbraw/zinc/98/27/20/569982720.db2.gz	CFISIBVWRHQOAJ-RZNTYIFUSA-N	-2	0	494.825	4.138	40	5		JIBBRL
O=C([O-])c1ccc(C(c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000002529859	554232958	/nfs/dbraw/zinc/23/29/58/554232958.db2.gz	HTFPTCABXGMXOB-UHFFFAOYSA-N	-2	0	482.245	4.310	40	5		JIBBRL
O=C([O-])c1ccc(-c2ccc(Br)cc2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1	ZINC000226353806	570037655	/nfs/dbraw/zinc/03/76/55/570037655.db2.gz	RVPVCICJQCAEMB-UHFFFAOYSA-N	-2	0	467.253	4.116	40	5		JIBBRL
O=C([O-])c1ccc(-c2ccc(Br)cc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1	ZINC000226353843	570037599	/nfs/dbraw/zinc/03/75/99/570037599.db2.gz	WNMOTHRMWYBEIS-UHFFFAOYSA-N	-2	0	467.253	4.116	40	5		JIBBRL
O=C([O-])c1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2Br)o1	ZINC000226353736	570037652	/nfs/dbraw/zinc/03/76/52/570037652.db2.gz	WBGZXTVSROAFSH-UHFFFAOYSA-N	-2	0	467.253	4.116	40	5		JIBBRL
CCn1c(S/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634986	195482766	/nfs/dbraw/zinc/48/27/66/195482766.db2.gz	WCZSFFGSUMHHSY-NVNXTCNLSA-N	-2	0	491.869	4.358	40	5		JIBBRL
O=C([O-])c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2Br)o1	ZINC000226353743	570037663	/nfs/dbraw/zinc/03/76/63/570037663.db2.gz	BFQPCAXHDDMUMV-UHFFFAOYSA-N	-2	0	467.253	4.116	40	5		JIBBRL
Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc([N+](=O)[O-])c1	ZINC000408673796	570008846	/nfs/dbraw/zinc/00/88/46/570008846.db2.gz	VLBUYIIULHXAMX-UHFFFAOYSA-N	-2	0	477.429	4.113	40	5		JIBBRL
Cc1nc([N-]c2cc(Br)ccn2)nc([N-]c2cc(Br)ccn2)c1[N+](=O)[O-]	ZINC000016249506	527003597	/nfs/dbraw/zinc/00/35/97/527003597.db2.gz	ZIKQXUUXYKQVOJ-UHFFFAOYSA-N	-2	0	481.108	4.495	40	5		JIBBRL