smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2=NN[C@@H](c3ccccc3)C2)cc1	ZINC000031905900	563083848	/nfs/dbraw/zinc/08/38/48/563083848.db2.gz	WUABNKVQCNQNHX-HXUWFJFHSA-N	-1	1	436.493	4.143	1	5		IIBFMM
O=[N+]([O-])c1cccc([C@H](c2ccc(O)cc2O)c2cc(Br)c([O-])cc2O)c1	ZINC000073196137	563169938	/nfs/dbraw/zinc/16/99/38/563169938.db2.gz	ZLFKMBNDKLPUSU-LJQANCHMSA-N	-1	1	432.226	4.360	1	5		IIBFMM
CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1[N+](=O)[O-]	ZINC000013560028	562994115	/nfs/dbraw/zinc/99/41/15/562994115.db2.gz	ZBECYNAGSBELRL-UHFFFAOYSA-N	-1	1	436.490	4.239	1	5		IIBFMM
O=C(NCc1ccccc1)c1cc(-c2c([O-])cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1	ZINC000096939880	563200097	/nfs/dbraw/zinc/20/00/97/563200097.db2.gz	JGKZBJZGHAGOHF-UHFFFAOYSA-N	-1	1	447.403	4.383	1	5		IIBFMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2=NN[C@H](c3cccs3)C2)cc1	ZINC000031905902	563083869	/nfs/dbraw/zinc/08/38/69/563083869.db2.gz	KHPZHCZOSJDZJM-SFHVURJKSA-N	-1	1	442.522	4.204	1	5		IIBFMM
CCc1c(=O)[n-]c(SCc2ccc([N+](=O)[O-])cc2)nc1CN1CCCc2ccccc21	ZINC000072177699	563166104	/nfs/dbraw/zinc/16/61/04/563166104.db2.gz	HEPBXXNGHGJFPF-UHFFFAOYSA-N	-1	1	436.537	4.486	1	5		IIBFMM
CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C)c2)cc1[N+](=O)[O-]	ZINC000013560022	562994066	/nfs/dbraw/zinc/99/40/66/562994066.db2.gz	GSOFJSSBWMLOLV-UHFFFAOYSA-N	-1	1	436.490	4.239	1	5		IIBFMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2=NN[C@H](c3ccccc3)C2)cc1	ZINC000005579439	562944256	/nfs/dbraw/zinc/94/42/56/562944256.db2.gz	WUABNKVQCNQNHX-FQEVSTJZSA-N	-1	1	436.493	4.143	1	5		IIBFMM
O=[N+]([O-])c1cccc([C@@H](c2ccc(O)cc2O)c2cc(Br)c([O-])cc2O)c1	ZINC000073196136	563169921	/nfs/dbraw/zinc/16/99/21/563169921.db2.gz	ZLFKMBNDKLPUSU-IBGZPJMESA-N	-1	1	432.226	4.360	1	5		IIBFMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2=NN[C@@H](c3cccs3)C2)cc1	ZINC000005579441	562944207	/nfs/dbraw/zinc/94/42/07/562944207.db2.gz	KHPZHCZOSJDZJM-GOSISDBHSA-N	-1	1	442.522	4.204	1	5		IIBFMM
O=[N+]([O-])c1ccc(-c2[n-]c(S(=O)(=O)C(F)(F)C(F)F)nc2-c2ccc(F)cc2)cc1	ZINC000040504856	563104267	/nfs/dbraw/zinc/10/42/67/563104267.db2.gz	VKHBEKZMQZUTII-UHFFFAOYSA-N	-1	1	447.341	4.423	1	5		IIBFMM