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)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N3CC[C@H]([NH+](C)C)C3)n2)C1	ZINC000225478040	282201632	/nfs/dbraw/zinc/20/16/32/282201632.db2.gz	ZTBVOYSEAGQVSY-KGLIPLIRSA-N	2	0	348.451	1.270	50	5		EDBARP
Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000097083940	442163867	/nfs/dbraw/zinc/16/38/67/442163867.db2.gz	HYENLCWJSNXJAY-DLBZAZTESA-N	2	0	328.372	1.971	50	5		EDBARP
O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CC[NH2+]CC2)CC1	ZINC000178974792	442542882	/nfs/dbraw/zinc/54/28/82/442542882.db2.gz	OMLJCWLMNSCBJE-UHFFFAOYSA-N	2	0	332.404	1.352	50	5		EDBARP
C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(N3CC[C@H]([NH+](C)C)C3)n2)C1	ZINC000225478074	282264521	/nfs/dbraw/zinc/26/45/21/282264521.db2.gz	ZTBVOYSEAGQVSY-KBPBESRZSA-N	2	0	348.451	1.270	50	5		EDBARP
Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000253369763	443050839	/nfs/dbraw/zinc/05/08/39/443050839.db2.gz	HYENLCWJSNXJAY-IRXDYDNUSA-N	2	0	328.372	1.971	50	5		EDBARP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)/C=C/c1ccccc1[N+](=O)[O-]	ZINC000069743522	442029681	/nfs/dbraw/zinc/02/96/81/442029681.db2.gz	MZWVJZLCLAFWJK-MDZDMXLPSA-N	2	0	334.420	1.560	50	5		EDBARP
C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N3CC[C@@H]([NH+](C)C)C3)n2)C1	ZINC000253394493	282201645	/nfs/dbraw/zinc/20/16/45/282201645.db2.gz	ZTBVOYSEAGQVSY-ZIAGYGMSSA-N	2	0	348.451	1.270	50	5		EDBARP
Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000097083939	442164409	/nfs/dbraw/zinc/16/44/09/442164409.db2.gz	HYENLCWJSNXJAY-IAGOWNOFSA-N	2	0	328.372	1.971	50	5		EDBARP
Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000222267965	443075477	/nfs/dbraw/zinc/07/54/77/443075477.db2.gz	HYENLCWJSNXJAY-SJORKVTESA-N	2	0	328.372	1.971	50	5		EDBARP
C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C	ZINC000005019940	210363608	/nfs/dbraw/zinc/36/36/08/210363608.db2.gz	FUORNAZLBFNKKX-UHFFFAOYSA-N	2	0	346.512	1.826	50	5	in-vitro	EDBARP