smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Nc2ccc(Cl)c([N+](=O)[O-])c2)c2cc(F)ccc2[nH+]1	ZINC000032606590	202228703	/nfs/dbraw/zinc/22/87/03/202228703.db2.gz	BSQMHFDZMUHJSO-UHFFFAOYSA-N	1	1	331.734	4.409	10	5		EIBEMO
O=[N+]([O-])c1ccc(C[N@H+]2CC=C(c3nc4ccccc4o3)CC2)cc1	ZINC000226251329	201036925	/nfs/dbraw/zinc/03/69/25/201036925.db2.gz	KJAMAQQBLOKTIL-UHFFFAOYSA-N	1	1	335.363	4.025	10	5		EIBEMO
O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(c3nc4ccccc4o3)CC2)cc1	ZINC000226251329	201036929	/nfs/dbraw/zinc/03/69/29/201036929.db2.gz	KJAMAQQBLOKTIL-UHFFFAOYSA-N	1	1	335.363	4.025	10	5		EIBEMO
C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1CCCCC1	ZINC000675055912	564112046	/nfs/dbraw/zinc/11/20/46/564112046.db2.gz	CWKWPNAXXSHMNH-UHFFFAOYSA-N	1	1	327.222	4.122	10	5		EIBEMO
CCC1(C)CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1	ZINC000725263824	563986465	/nfs/dbraw/zinc/98/64/65/563986465.db2.gz	MUIGKXPMPORQGQ-UHFFFAOYSA-N	1	1	341.249	4.369	10	5		EIBEMO
COc1ccc(CN(CC[N+]2(C)CCCCC2)C2CCCCC2)cc1	ZINC000033638915	717121550	/nfs/dbraw/zinc/12/15/50/717121550.db2.gz	KYJQEXSCUADXBN-UHFFFAOYSA-N	1	1	345.551	4.460	10	5		EIBEMO
O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1	ZINC000116275004	1044157130	/nfs/dbraw/zinc/15/71/30/1044157130.db2.gz	VBFCWRKRWSCGFC-GFCCVEGCSA-N	1	1	337.832	4.084	10	5		EIBEMO
O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2nccs2)C1	ZINC000116275004	1044157139	/nfs/dbraw/zinc/15/71/39/1044157139.db2.gz	VBFCWRKRWSCGFC-GFCCVEGCSA-N	1	1	337.832	4.084	10	5		EIBEMO
O=[N+]([O-])c1ccccc1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000255187056	244044692	/nfs/dbraw/zinc/04/46/92/244044692.db2.gz	BAMBRAKLPMTTIS-BCDXTJNWSA-N	1	1	337.423	4.202	10	5		EIBEMO
O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2nccs2)C1	ZINC000116275000	1044156781	/nfs/dbraw/zinc/15/67/81/1044156781.db2.gz	VBFCWRKRWSCGFC-LBPRGKRZSA-N	1	1	337.832	4.084	10	5		EIBEMO
O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2nccs2)C1	ZINC000116275000	1044156792	/nfs/dbraw/zinc/15/67/92/1044156792.db2.gz	VBFCWRKRWSCGFC-LBPRGKRZSA-N	1	1	337.832	4.084	10	5		EIBEMO
C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C1CCCCC1	ZINC000725263984	563986589	/nfs/dbraw/zinc/98/65/89/563986589.db2.gz	ZLPUSSUWADSLHU-UHFFFAOYSA-N	1	1	327.222	4.122	10	5		EIBEMO
C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C1CCCCC1	ZINC000725263984	563986590	/nfs/dbraw/zinc/98/65/90/563986590.db2.gz	ZLPUSSUWADSLHU-UHFFFAOYSA-N	1	1	327.222	4.122	10	5		EIBEMO
O=[N+]([O-])c1ccccc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000255187057	244044397	/nfs/dbraw/zinc/04/43/97/244044397.db2.gz	BAMBRAKLPMTTIS-NNZMDNLPSA-N	1	1	337.423	4.202	10	5		EIBEMO