smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@@H](C)NC(=O)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000736351693	578198288	/nfs/dbraw/zinc/19/82/88/578198288.db2.gz	GHZONMQJKYWBBL-LLVKDONJSA-N	-2	2	342.823	2.093	20	10		EECDLL
CCC(C)(C)NC(=O)C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000736858638	578227185	/nfs/dbraw/zinc/22/71/85/578227185.db2.gz	BFXRIYVAOWSWJF-UHFFFAOYSA-N	-2	2	342.823	2.237	20	10		EECDLL
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)c(F)cc1F	ZINC001195224737	1368511277	/nfs/dbraw/zinc/51/12/77/1368511277.db2.gz	CYEHGFWEYNCIQS-UHFFFAOYSA-N	-3	2	347.270	2.309	20	10		EECDLL
CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](COC2CCC2)C(=O)[O-])c1O	ZINC001589270888	985966996	/nfs/dbraw/zinc/96/69/96/985966996.db2.gz	IFHOKIOJGMLZLJ-OAHLLOKOSA-N	-2	2	339.363	2.188	20	10		EECDLL
CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](COC2CCC2)C(=O)[O-])c1O	ZINC001589270886	985966816	/nfs/dbraw/zinc/96/68/16/985966816.db2.gz	IFHOKIOJGMLZLJ-HNNXBMFYSA-N	-2	2	339.363	2.188	20	10		EECDLL
O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1	ZINC000776750691	577467143	/nfs/dbraw/zinc/46/71/43/577467143.db2.gz	JQMHZUCVANHUTQ-UHFFFAOYSA-N	-4	2	343.744	2.250	20	10		EECDLL
O=C([O-])c1sccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1O	ZINC001602596778	1350553729	/nfs/dbraw/zinc/55/37/29/1350553729.db2.gz	BMUUPBCQXHTTBW-UHFFFAOYSA-N	-2	2	335.309	2.231	20	10		EECDLL
CC(C)[C@H](C)NC(=O)C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000736351694	578198273	/nfs/dbraw/zinc/19/82/73/578198273.db2.gz	GHZONMQJKYWBBL-NSHDSACASA-N	-2	2	342.823	2.093	20	10		EECDLL