smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1O	ZINC000093483788	345673683	/nfs/dbraw/zinc/67/36/83/345673683.db2.gz	MPSZQOYXNUNZKV-AOOOYVTPSA-N	1	1	239.271	-0.062	20	10		BBCDMO
Nc1ccc(CCNC(=O)[C@@H]2COCC[NH2+]2)cc1	ZINC000152488396	344580616	/nfs/dbraw/zinc/58/06/16/344580616.db2.gz	CEMPRONCZSDMDW-LBPRGKRZSA-N	1	1	249.314	-0.084	20	10		BBCDMO
Nc1ccc(CCNC(=O)[C@H]2COCC[NH2+]2)cc1	ZINC000152488462	344580764	/nfs/dbraw/zinc/58/07/64/344580764.db2.gz	CEMPRONCZSDMDW-GFCCVEGCSA-N	1	1	249.314	-0.084	20	10		BBCDMO
COc1ccc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1	ZINC000278120244	175157686	/nfs/dbraw/zinc/15/76/86/175157686.db2.gz	AXXWWTUSAPQGLU-TXEJJXNPSA-N	1	1	239.271	-0.062	20	10		BBCDMO
Oc1ccccc1C[N@H+]1C[C@@H](O)[C@@H](O)C1	ZINC000278458970	183302294	/nfs/dbraw/zinc/30/22/94/183302294.db2.gz	ZLWMWFZMGUVOEI-PHIMTYICSA-N	1	1	209.245	-0.070	20	10		BBCDMO
COc1cccc(O)c1C[N@@H+]1C[C@@H](O)[C@@H](O)C1	ZINC000769452455	585557117	/nfs/dbraw/zinc/55/71/17/585557117.db2.gz	RZWXZFOJITVXHF-PHIMTYICSA-N	1	1	239.271	-0.062	20	10		BBCDMO
NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1O	ZINC000895367942	583660748	/nfs/dbraw/zinc/66/07/48/583660748.db2.gz	KITSGUPBRROIOH-ZJUUUORDSA-N	1	1	236.271	-0.187	20	10		BBCDMO
O=C1NC(=O)C2(C[NH+](Cc3ccccc3O)C2)N1	ZINC000897906804	584059978	/nfs/dbraw/zinc/05/99/78/584059978.db2.gz	BNHJNYZGTXOAPC-UHFFFAOYSA-N	1	1	247.254	-0.214	20	10		BBCDMO