smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CCC[C@H](O)[C@H](N)C(=O)[O-]	ZINC000001532908	571680125	/nfs/dbraw/zinc/68/01/25/571680125.db2.gz	ZRJHLGYVUCPZNH-YUMQZZPRSA-O	0	3	205.278	-0.754	10	5	endogenous,in-man	BBBEHN
C[N+](C)(C)CCC[C@@H](O)[C@H](N)C(=O)[O-]	ZINC000001532909	571680021	/nfs/dbraw/zinc/68/00/21/571680021.db2.gz	ZRJHLGYVUCPZNH-SFYZADRCSA-O	0	3	205.278	-0.754	10	5	endogenous,in-man	BBBEHN
O=c1[nH][n+]([O-])nc2ccc([N+](=O)[O-])cc21	ZINC000002159000	363422161	/nfs/dbraw/zinc/42/21/61/363422161.db2.gz	BKYFXFGONFMJNN-UHFFFAOYSA-N	0	3	208.133	-0.123	10	5		BBBEHN
C[N+](C)(C)CCOC(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000005764632	717101948	/nfs/dbraw/zinc/10/19/48/717101948.db2.gz	WVKGFOLHMRECQI-UHFFFAOYSA-O	0	3	242.255	-0.662	10	5		BBBEHN
Cn1cnc([N+](=O)[O-])c1N1CCNCC1	ZINC000012504987	370884404	/nfs/dbraw/zinc/88/44/04/370884404.db2.gz	YAZIOABODNUXKV-UHFFFAOYSA-N	0	3	211.225	-0.262	10	5		BBBEHN
Nc1nc(N2CCNCC2)ccc1[N+](=O)[O-]	ZINC000035067445	132312418	/nfs/dbraw/zinc/31/24/18/132312418.db2.gz	KJKANSYFBQGJMK-UHFFFAOYSA-N	0	3	223.236	-0.018	10	5		BBBEHN
COCCNCCNc1c([N+](=O)[O-])ncn1C	ZINC000215512141	388840933	/nfs/dbraw/zinc/84/09/33/388840933.db2.gz	IFJQRURCIPGHAZ-UHFFFAOYSA-N	0	3	243.267	-0.024	10	5		BBBEHN
CC1([C@@H]2NC(=O)CCC2[N+](=O)[O-])COC1	ZINC000253388124	411489329	/nfs/dbraw/zinc/48/93/29/411489329.db2.gz	ZCPJCXNOXJCMGD-HTRCEHHLSA-N	0	3	214.221	-0.053	10	5		BBBEHN
CC1([C@@H]2NC(=O)CCC2[N+](=O)[O-])COC1	ZINC000253388125	411488574	/nfs/dbraw/zinc/48/85/74/411488574.db2.gz	ZCPJCXNOXJCMGD-POYBYMJQSA-N	0	3	214.221	-0.053	10	5		BBBEHN
CC1([C@H]2NC(=O)CCC2[N+](=O)[O-])COC1	ZINC000253388126	411488966	/nfs/dbraw/zinc/48/89/66/411488966.db2.gz	ZCPJCXNOXJCMGD-SVRRBLITSA-N	0	3	214.221	-0.053	10	5		BBBEHN
CC1([C@H]2NC(=O)CCC2[N+](=O)[O-])COC1	ZINC000253388127	411488774	/nfs/dbraw/zinc/48/87/74/411488774.db2.gz	ZCPJCXNOXJCMGD-XPUUQOCRSA-N	0	3	214.221	-0.053	10	5		BBBEHN