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-])c1ccc2nc(/C=C\c3ccc([N+](=O)[O-])c([O-])c3)oc2c1	ZINC000550007137	315113694	/nfs/dbraw/zinc/11/36/94/315113694.db2.gz	MHOOKWPBRCXSEB-KXFIGUGUSA-N	-2	0	326.264	3.310	10	5		EGBERL
O=C([O-])c1ccc2nc(/C=C\c3ccc([O-])c([N+](=O)[O-])c3)oc2c1	ZINC000439268200	309829963	/nfs/dbraw/zinc/82/99/63/309829963.db2.gz	DQKYVMGMVZBTRI-KXFIGUGUSA-N	-2	0	326.264	3.310	10	5		EGBERL
Cc1cc(C)c(C(=O)[O-])cc1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000530476055	458776078	/nfs/dbraw/zinc/77/60/78/458776078.db2.gz	NPIAKENJVFZWGW-ARJAWSKDSA-N	-2	0	342.307	3.173	10	5		EGBERL
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(F)cc(F)c1[O-]	ZINC001152455530	1379936739	/nfs/dbraw/zinc/93/67/39/1379936739.db2.gz	MWMDUSUDWPXQNG-UHFFFAOYSA-N	-2	0	344.657	3.190	10	5		EGBERL
O=C([O-])c1ccc2nc(/C=C/c3ccc([O-])c([N+](=O)[O-])c3)oc2c1	ZINC000439268201	309829944	/nfs/dbraw/zinc/82/99/44/309829944.db2.gz	DQKYVMGMVZBTRI-QHHAFSJGSA-N	-2	0	326.264	3.310	10	5		EGBERL
O=C(Nc1nnc(-c2ccsc2)s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000377666633	169057144	/nfs/dbraw/zinc/05/71/44/169057144.db2.gz	DXBRYHROINNZKU-UHFFFAOYSA-N	-2	0	348.365	3.133	10	5		EGBERL
O=[N+]([O-])c1c([N-]c2nccs2)ncnc1[N-]c1ccc(Cl)cn1	ZINC000040646970	213364001	/nfs/dbraw/zinc/36/40/01/213364001.db2.gz	DLTIEMJKWCVIIU-UHFFFAOYSA-N	-2	0	349.763	3.377	10	5		EGBERL
Cc1cccnc1[N-]c1ncnc([N-]c2nccs2)c1[N+](=O)[O-]	ZINC000040625768	213360898	/nfs/dbraw/zinc/36/08/98/213360898.db2.gz	WFWAJDBAGKBHAM-UHFFFAOYSA-N	-2	0	329.345	3.032	10	5		EGBERL
Cc1cccnc1[N-]c1ncnc([N-]c2ncccc2C)c1[N+](=O)[O-]	ZINC000040625693	213360712	/nfs/dbraw/zinc/36/07/12/213360712.db2.gz	SMIMHDRLRUSFNP-UHFFFAOYSA-N	-2	0	337.343	3.279	10	5		EGBERL
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c([O-])cc(F)cc1F	ZINC000611484541	460374714	/nfs/dbraw/zinc/37/47/14/460374714.db2.gz	TVZQLENPUSVPLS-UHFFFAOYSA-N	-2	0	344.657	3.190	10	5		EGBERL
Cc1cc(C)c(C(=O)[O-])cc1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000530476058	458775812	/nfs/dbraw/zinc/77/58/12/458775812.db2.gz	NPIAKENJVFZWGW-ONEGZZNKSA-N	-2	0	342.307	3.173	10	5		EGBERL
O=C([O-])c1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c(Cl)c1	ZINC000342229182	457180994	/nfs/dbraw/zinc/18/09/94/457180994.db2.gz	LYPLLZIPISXDDC-ARJAWSKDSA-N	-2	0	348.698	3.210	10	5		EGBERL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(F)c([O-])c(Cl)c1	ZINC000184521390	455395545	/nfs/dbraw/zinc/39/55/45/455395545.db2.gz	ZPDVUTVGBNWHKZ-UHFFFAOYSA-N	-2	0	326.667	3.051	10	5		EGBERL
O=C([O-])c1cccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1Cl	ZINC000345745923	304255499	/nfs/dbraw/zinc/25/54/99/304255499.db2.gz	XBFNTFYVGLDYRP-PLNGDYQASA-N	-2	0	348.698	3.210	10	5		EGBERL
Cc1cc([N-]c2ncnc([N-]c3ccc(Cl)cn3)c2[N+](=O)[O-])no1	ZINC000040582190	213353538	/nfs/dbraw/zinc/35/35/38/213353538.db2.gz	CEFTXZIOHLIQHQ-UHFFFAOYSA-N	-2	0	347.722	3.217	10	5		EGBERL
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(F)c([O-])c1	ZINC001137826461	1377623529	/nfs/dbraw/zinc/62/35/29/1377623529.db2.gz	GPWYIKAHZZONCH-UHFFFAOYSA-N	-2	0	326.667	3.051	10	5		EGBERL
O=C([O-])c1cccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1Cl	ZINC000345745924	164257775	/nfs/dbraw/zinc/25/77/75/164257775.db2.gz	XBFNTFYVGLDYRP-SNAWJCMRSA-N	-2	0	348.698	3.210	10	5		EGBERL
O=C([O-])c1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c(Cl)c1	ZINC000342229197	457181426	/nfs/dbraw/zinc/18/14/26/457181426.db2.gz	LYPLLZIPISXDDC-ONEGZZNKSA-N	-2	0	348.698	3.210	10	5		EGBERL
O=C([O-])c1ccc2nc(/C=C/c3ccc([N+](=O)[O-])c([O-])c3)oc2c1	ZINC000550007138	315113778	/nfs/dbraw/zinc/11/37/78/315113778.db2.gz	MHOOKWPBRCXSEB-QHHAFSJGSA-N	-2	0	326.264	3.310	10	5		EGBERL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(C(F)(F)F)c([O-])c1	ZINC000619582799	460390817	/nfs/dbraw/zinc/39/08/17/460390817.db2.gz	AQMLFLTVPZURKT-UHFFFAOYSA-N	-2	0	342.229	3.277	10	5		EGBERL