smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000007987481	170312142	/nfs/dbraw/zinc/31/21/42/170312142.db2.gz	FELGOMRSFVUAAG-CYBMUJFWSA-N	2	0	297.355	0.876	50	5		CCBARP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899512	170037828	/nfs/dbraw/zinc/03/78/28/170037828.db2.gz	TWYRZWVFWYSNBU-JTQLQIEISA-N	2	0	294.315	0.124	50	5		CCBARP
C[N+](C)(C)CCOC(=O)CCOC(=O)CC[N+](C)(C)C	ZINC000100467223	349657875	/nfs/dbraw/zinc/65/78/75/349657875.db2.gz	OHQSLYYRPSQESC-UHFFFAOYSA-N	2	0	290.404	0.265	50	5		CCBARP
O=[N+]([O-])c1cc(C2=[NH+]CCN2)cc(C2=[NH+]CCN2)c1	ZINC000004015698	275033198	/nfs/dbraw/zinc/03/31/98/275033198.db2.gz	MTZPNEUCJNZQBQ-UHFFFAOYSA-N	2	0	259.269	0.294	50	5		CCBARP
C[N+](C)(C)CC(CO)(C[N+](C)(C)C)C[N+](C)(C)C	ZINC000003200652	169868067	/nfs/dbraw/zinc/86/80/67/169868067.db2.gz	KIAINHFGROGSRF-UHFFFAOYSA-N	3	0	262.462	0.084	50	5		CCBARP
[NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899490	170038042	/nfs/dbraw/zinc/03/80/42/170038042.db2.gz	VUUNELJIFNFWJC-NSHDSACASA-N	2	0	266.301	0.990	50	5	in-vitro	CCBARP
C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C	ZINC000001530820	347956093	/nfs/dbraw/zinc/95/60/93/347956093.db2.gz	AXOIZCJOOAYSMI-UHFFFAOYSA-N	2	0	290.404	0.265	50	5	fda	CCBARP
C[NH+](C)CCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000007987480	170312046	/nfs/dbraw/zinc/31/20/46/170312046.db2.gz	FELGOMRSFVUAAG-ZDUSSCGKSA-N	2	0	297.355	0.876	50	5		CCBARP
C(CC[N+]12CCN(CC1)CC2)CC[N+]12CCN(CC1)CC2	ZINC000001569097	624466071	/nfs/dbraw/zinc/46/60/71/624466071.db2.gz	VUPNTGHWYDSRNR-UHFFFAOYSA-N	2	0	294.487	0.449	50	5		CCBARP
OCC[N+]12CC[N+](CCO)(CC1)c1ccccc12	ZINC000003172359	280409896	/nfs/dbraw/zinc/40/98/96/280409896.db2.gz	AFBOCYFSSMEVDM-UHFFFAOYSA-N	2	0	250.342	0.313	50	5		CCBARP
C[N+](C)(C)CCOc1cc(OCC[N+](C)(C)C)ncn1	ZINC000000541667	169665018	/nfs/dbraw/zinc/66/50/18/169665018.db2.gz	ZAUVDSMHTMDILX-UHFFFAOYSA-N	2	0	284.404	0.647	50	5		CCBARP
C(CC[N+]12CCN(CC1)CC2)C[N+]12CCN(CC1)CC2	ZINC000034320385	388834647	/nfs/dbraw/zinc/83/46/47/388834647.db2.gz	BNHPKDXZBXPOAL-UHFFFAOYSA-N	2	0	280.460	0.059	50	5		CCBARP