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@@H+](C/C=C\C[NH3+])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)C[C@@H]1O	ZINC000027558564	202157046	/nfs/dbraw/zinc/15/70/46/202157046.db2.gz	WJXVWCZSTHQCKL-YFXGRDGWSA-N	2	1	333.396	-0.496	1	0		EBAFMP
NC(=[NH2+])N[C@@H]1C[C@H](NC(N)=[NH2+])[C@@H](c2ccc3[nH+]c(N)[nH]c3c2)C[C@H]1O	ZINC000028571798	202172799	/nfs/dbraw/zinc/17/27/99/202172799.db2.gz	DAOXSQHDHQOLFB-OAIFWDMCSA-N	3	1	345.411	-0.913	1	0		EBAFMP
C[NH+]1CCN(c2nc3c(c(N4CCOCC4)n2)CC[NH2+]CC3)CC1	ZINC000096928120	203901445	/nfs/dbraw/zinc/90/14/45/203901445.db2.gz	RBXHSHDFWODTHR-UHFFFAOYSA-N	2	1	332.452	-0.247	1	0		EBAFMP
N=C1N(CC(=O)NCCC[NH3+])c2ccccc2[N@H+]1CC(=O)CCC[NH3+]	ZINC000101731269	219159535	/nfs/dbraw/zinc/15/95/35/219159535.db2.gz	GBZAHWROLZOONL-UHFFFAOYSA-N	3	1	346.435	-0.305	1	0		EBAFMP
N=C1N(CC(=O)NCCC[NH3+])c2ccccc2[N@@H+]1CC(=O)CCC[NH3+]	ZINC000101731269	219159539	/nfs/dbraw/zinc/15/95/39/219159539.db2.gz	GBZAHWROLZOONL-UHFFFAOYSA-N	3	1	346.435	-0.305	1	0		EBAFMP