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+]1CCC[C@H]1c1ccc[n+]([C@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]2O)c1	ZINC000003869570	210080642	/nfs/dbraw/zinc/08/06/42/210080642.db2.gz	SAWAIULJDYFLPD-QAIIKZMUSA-O	1	1	339.368	-1.195	1	0	biogenic,in-vitro	EAAFMO
C[N@@H+]1CCC[C@H]1c1ccc[n+]([C@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]2O)c1	ZINC000003869570	210080639	/nfs/dbraw/zinc/08/06/39/210080639.db2.gz	SAWAIULJDYFLPD-QAIIKZMUSA-O	1	1	339.368	-1.195	1	0	biogenic,in-vitro	EAAFMO
C[N@H+]1CCC[C@H]1c1ccc[n+]([C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1	ZINC000012495031	571694456	/nfs/dbraw/zinc/69/44/56/571694456.db2.gz	SAWAIULJDYFLPD-SOAFEQHCSA-O	1	1	339.368	-1.195	1	0	endogenous,world	EAAFMO
C[N@@H+]1CCC[C@H]1c1ccc[n+]([C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1	ZINC000012495031	571694455	/nfs/dbraw/zinc/69/44/55/571694455.db2.gz	SAWAIULJDYFLPD-SOAFEQHCSA-O	1	1	339.368	-1.195	1	0	endogenous,world	EAAFMO
Cn1c2ncn(C[C@@H](O)CN3CC[NH+](C)CC3)c2c(=O)n(C)c1=O	ZINC000019358829	212020830	/nfs/dbraw/zinc/02/08/30/212020830.db2.gz	MWMKSXCUMWQCCR-NSHDSACASA-N	1	1	336.396	-1.958	1	0		EAAFMO
Cn1c2ncn(C[C@H](O)CN3CC[NH+](C)CC3)c2c(=O)n(C)c1=O	ZINC000019358831	212021030	/nfs/dbraw/zinc/02/10/30/212021030.db2.gz	MWMKSXCUMWQCCR-LLVKDONJSA-N	1	1	336.396	-1.958	1	0		EAAFMO
C[C@H](O)[C@H]1O[C@H](n2cc(C(=[NH2+])NO)c3c2nc[nH]c3=O)[C@H](O)[C@@H]1O	ZINC000049089394	213986469	/nfs/dbraw/zinc/98/64/69/213986469.db2.gz	XJNAQVSIXGDZIJ-YSPKSDBFSA-N	1	1	339.308	-1.971	1	0		EAAFMO
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1[NH2+]CCC[NH3+]	ZINC000049802346	214032478	/nfs/dbraw/zinc/03/24/78/214032478.db2.gz	QGCOTIJSSPCRFA-IINAIABHSA-N	1	1	347.368	-3.121	1	0		EAAFMO