smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([O-])c(-c2cc(-c3cccc(NC(=O)[C@@H](O)CCC(=O)[O-])c3)c(C#N)c(N)n2)c1	ZINC000013488187	562968187	/nfs/dbraw/zinc/96/81/87/562968187.db2.gz	KORUTUXJXONWPV-NRFANRHFSA-N	-2	1	462.462	2.748	1	30		JFEFML
C#CCN(Cc1ccc2[nH]c(=S)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027649646	563048533	/nfs/dbraw/zinc/04/85/33/563048533.db2.gz	PEMLNRSTGPXDDH-IBGZPJMESA-N	-2	1	494.529	2.686	1	30		JFEFML
COc1ccc([O-])c(-c2cc(-c3cccc(NC(=O)[C@H](O)CCC(=O)[O-])c3)c(C#N)c(N)n2)c1	ZINC000013488188	562968177	/nfs/dbraw/zinc/96/81/77/562968177.db2.gz	KORUTUXJXONWPV-OAQYLSRUSA-N	-2	1	462.462	2.748	1	30		JFEFML
O=C([O-])CCC(=NC(C(=N[C@H](CCC(=O)[O-])C(=O)[O-])c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000031900065	563108899	/nfs/dbraw/zinc/10/88/99/563108899.db2.gz	DFAPQIOKWBUOPT-RSCCWFELSA-N	-4	1	468.462	2.601	1	30		JFEFML
O=C([O-])[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC#Cc1ccccc1F)NC[P@@](=O)([O-])O	ZINC000013779373	562991378	/nfs/dbraw/zinc/99/13/78/562991378.db2.gz	CZZZCPCMXBFLPX-GOTSBHOMSA-N	-2	1	498.447	2.626	1	30		JFEFML
C#CCN(Cc1ccc2[nH]c(=S)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027649641	563048546	/nfs/dbraw/zinc/04/85/46/563048546.db2.gz	PEMLNRSTGPXDDH-LJQANCHMSA-N	-2	1	494.529	2.686	1	30		JFEFML