smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cn(-c2ccc([N+](=O)[O-])cc2)c[nH+]1	ZINC000034865786	179557146	/nfs/dbraw/zinc/55/71/46/179557146.db2.gz	BBTVYTDNOUZWNJ-UHFFFAOYSA-N	1	2	203.201	2.089	40	5		BEBBLO
COc1cc([N+](=O)[O-])ccc1-n1c[nH+]c(C)c1	ZINC000038540306	175017690	/nfs/dbraw/zinc/01/76/90/175017690.db2.gz	OTZCJYQGKVYWHJ-UHFFFAOYSA-N	1	2	233.227	2.098	40	5		BEBBLO
Cc1cn(-c2ccc(F)cc2[N+](=O)[O-])c[nH+]1	ZINC000685936622	538757385	/nfs/dbraw/zinc/75/73/85/538757385.db2.gz	LKQQPZQBJHHSCS-UHFFFAOYSA-N	1	2	221.191	2.228	40	5		BEBBLO
Cc1cc(N)[nH+]c2ccc([N+](=O)[O-])cc12	ZINC000085399096	178110242	/nfs/dbraw/zinc/11/02/42/178110242.db2.gz	AGXNZSRBMMYQOS-UHFFFAOYSA-N	1	2	203.201	2.034	40	5		BEBBLO
CCOC(=[NH2+])c1ccc(C)c([N+](=O)[O-])c1	ZINC000145361214	520391132	/nfs/dbraw/zinc/39/11/32/520391132.db2.gz	HUNSWEFZDFJUIC-UHFFFAOYSA-N	1	2	208.217	2.265	40	5		BEBBLO
CCOC(=[NH2+])c1cc([N+](=O)[O-])ccc1C	ZINC000050441269	344692060	/nfs/dbraw/zinc/69/20/60/344692060.db2.gz	NKGKHBYFIBXYJT-UHFFFAOYSA-N	1	2	208.217	2.265	40	5		BEBBLO
O=C(C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000005944443	386651645	/nfs/dbraw/zinc/65/16/45/386651645.db2.gz	MUIQMOHFJOGFRN-UHFFFAOYSA-N	1	2	248.282	2.263	40	5		BEBBLO
Nc1cccc2cc3ccccc3[n+](O)c12	ZINC000005011166	342756595	/nfs/dbraw/zinc/75/65/95/342756595.db2.gz	YQOOHKCFWHYYTO-UHFFFAOYSA-N	1	2	210.236	2.209	40	5		BEBBLO
Cc1cn(-c2ccc([N+](=O)[O-])cc2F)c[nH+]1	ZINC000116679310	342932301	/nfs/dbraw/zinc/93/23/01/342932301.db2.gz	SQFOHXFPQHTJRN-UHFFFAOYSA-N	1	2	221.191	2.228	40	5		BEBBLO
Cc1ccc2c(ccc3nc(N)[nH+]c(N)c32)c1	ZINC000001722910	342711227	/nfs/dbraw/zinc/71/12/27/342711227.db2.gz	UXOUKCFOWHPRDM-UHFFFAOYSA-N	1	2	224.267	2.256	40	5		BEBBLO
CCOC(=[NH2+])c1ccc([N+](=O)[O-])c(C)c1	ZINC000228955395	520392791	/nfs/dbraw/zinc/39/27/91/520392791.db2.gz	FXPOKCKVECZABU-UHFFFAOYSA-N	1	2	208.217	2.265	40	5		BEBBLO
CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-]	ZINC000022063327	388826358	/nfs/dbraw/zinc/82/63/58/388826358.db2.gz	YGWXJTKVNSPTHL-UHFFFAOYSA-N	1	2	203.201	2.185	40	5	in-vitro	BEBBLO