smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([C@@H]1C[NH2+]CCO1)[n+]1ccc(CCCO)cc1	ZINC000034064817	171830553	/nfs/dbraw/zinc/83/05/53/171830553.db2.gz	RYAJFQLRZYFQPW-LBPRGKRZSA-N	2	0	251.306	-0.472	10	10		CBCERP
C[NH+](C)CCNC(=O)[C@@H]([NH3+])Cc1ccc(O)c(O)c1	ZINC000040457812	174268017	/nfs/dbraw/zinc/26/80/17/174268017.db2.gz	YFDHXNCPLYIEJJ-JTQLQIEISA-N	2	0	267.329	-0.355	10	10		CBCERP
[NH3+]CCNCCNCC[NH2+]Cc1ccccc1O	ZINC000022440759	171387500	/nfs/dbraw/zinc/38/75/00/171387500.db2.gz	MBJJNGWNAZCBBO-UHFFFAOYSA-N	2	0	252.362	-0.380	10	10		CBCERP
C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(O)cc1O	ZINC000038031079	174024479	/nfs/dbraw/zinc/02/44/79/174024479.db2.gz	VTOYKUFOXURQIG-UHFFFAOYSA-N	2	0	279.340	-0.039	10	10		CBCERP