smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2c(ncnc2N)n1[C@@H]1O[C@H](C[N@@H+](C)C/C=C\C[NH3+])[C@@H](O)[C@H]1O	ZINC000040395243	208250174	/nfs/dbraw/zinc/25/01/74/208250174.db2.gz	XMINGHDCKLSIIL-LNNUBQDUSA-N	2	1	363.422	-1.217	1	0		FAAFMP
Cc1nc2c(ncn2[C@@H]2O[C@H](C[N@@H+](C)C/C=C\C[NH3+])[C@@H](O)[C@H]2O)c(N)n1	ZINC000040877645	208272121	/nfs/dbraw/zinc/27/21/21/208272121.db2.gz	MTDBNJKMVASAKC-LNNUBQDUSA-N	2	1	363.422	-1.217	1	0		FAAFMP
N[C@H]1C[C@@H]([NH3+])[C@H](O)[C@H](NCC[NH3+])[C@H]1O[C@H]1O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]1[NH3+]	ZINC000040894424	205084044	/nfs/dbraw/zinc/08/40/44/205084044.db2.gz	WIVYQMIHJJJGFZ-ZNJSDXFBSA-N	4	1	364.447	-5.560	1	0		FAAFMP
N[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@]12CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCC[NH3+])O2	ZINC000103265908	222331069	/nfs/dbraw/zinc/33/10/69/222331069.db2.gz	ODFTUNCBTXTINQ-UISRAHIASA-N	3	1	359.471	-2.743	1	0		FAAFMP