smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CC([N@H+](Cc2ccc(N3CCOCC3)cc2)Cc2cccnc2)CC(C)(C)[NH2+]1	ZINC000036740528	558801917	/nfs/dbraw/zinc/80/19/17/558801917.db2.gz	SYSUKLGZNVWYHH-UHFFFAOYSA-N	2	1	422.617	4.230	40	10		HICBMP
CC1(C)CC([N@@H+](Cc2ccc(N3CCOCC3)cc2)Cc2cccnc2)CC(C)(C)[NH2+]1	ZINC000036740528	558801919	/nfs/dbraw/zinc/80/19/19/558801919.db2.gz	SYSUKLGZNVWYHH-UHFFFAOYSA-N	2	1	422.617	4.230	40	10		HICBMP
NC(=[NH2+])c1ccc(N=NC2=CC(=[NH+]Nc3ccc(C(N)=[NH2+])cc3)C([O-])=CC2=O)cc1	ZINC000104232490	559159356	/nfs/dbraw/zinc/15/93/56/559159356.db2.gz	NSJLPUYMJDGBGT-ZQZMJUSDSA-N	2	1	402.418	4.497	40	10		HICBMP
NC(=[NH2+])c1ccc(N=NC2=CC(=[NH+]Nc3ccc(C(N)=[NH2+])cc3)C([O-])=CC2=O)cc1	ZINC000104232485	559159351	/nfs/dbraw/zinc/15/93/51/559159351.db2.gz	NSJLPUYMJDGBGT-LBXGSASVSA-N	2	1	402.418	4.497	40	10		HICBMP