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+]1CCN(CCNc2ccc([N+](=O)[O-])c(NCCN3CC[NH+](C)CC3)n2)CC1	ZINC000433607790	1069505676	/nfs/dbraw/zinc/50/56/76/1069505676.db2.gz	KUFYGPRDRYYBJE-UHFFFAOYSA-N	2	0	406.535	0.308	20	5		HBBDRP
O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)nc1N1CCC[NH+](CCO)CC1	ZINC000434080989	1069540055	/nfs/dbraw/zinc/54/00/55/1069540055.db2.gz	OIULBIZANCBWSR-UHFFFAOYSA-N	2	0	408.503	-0.001	20	5		HBBDRP
C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1	ZINC000610075944	1072086547	/nfs/dbraw/zinc/08/65/47/1072086547.db2.gz	GKZWEOKWXAAPOG-UHFFFAOYSA-N	2	0	415.516	-0.061	20	5		HBBDRP
CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])CC2	ZINC001164681774	719704556	/nfs/dbraw/zinc/70/45/56/719704556.db2.gz	AIQWWFCVGOANQP-UHFFFAOYSA-N	2	0	418.502	-0.025	20	5		HBBDRP
C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2	ZINC001164753766	720970900	/nfs/dbraw/zinc/97/09/00/720970900.db2.gz	KAPUPXFANCVURA-UHFFFAOYSA-N	2	0	416.442	-0.086	20	5		HBBDRP
COCC[N@@H+]1CCO[C@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])CC[C@@H]2C1	ZINC001164856333	720840178	/nfs/dbraw/zinc/84/01/78/720840178.db2.gz	VRPIMRKJCFTUPE-CVEARBPZSA-N	2	0	421.502	-0.032	20	5		HBBDRP
COCC[N@@H+]1CCO[C@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])CC[C@H]2C1	ZINC001164856337	720840011	/nfs/dbraw/zinc/84/00/11/720840011.db2.gz	VRPIMRKJCFTUPE-HOTGVXAUSA-N	2	0	421.502	-0.032	20	5		HBBDRP
COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])CC[C@@H]2C1	ZINC001164856340	720840006	/nfs/dbraw/zinc/84/00/06/720840006.db2.gz	VRPIMRKJCFTUPE-HZPDHXFCSA-N	2	0	421.502	-0.032	20	5		HBBDRP
COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])CC[C@H]2C1	ZINC001164856342	720840476	/nfs/dbraw/zinc/84/04/76/720840476.db2.gz	VRPIMRKJCFTUPE-JKSUJKDBSA-N	2	0	421.502	-0.032	20	5		HBBDRP