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)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])[C@@H](C)O)C(C)C)C(N)=O	ZINC000095546156	562758372	/nfs/dbraw/zinc/75/83/72/562758372.db2.gz	CZSWAWHVJSOYMB-VPFUYYLISA-N	-1	3	791.948	-1.842	1	10		KACFHM
CC(=O)N[C@H]1[C@H]([C@H](OC(=O)NCCCOC(=O)c2ccc([O-])c(O)c2)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1NC(N)=[NH2+]	ZINC000095563385	562763943	/nfs/dbraw/zinc/76/39/43/562763943.db2.gz	MZXXDQIQWUAUHW-FMAJMWNWSA-N	-1	3	569.524	-2.184	1	10		KACFHM
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000095607837	562783173	/nfs/dbraw/zinc/78/31/73/562783173.db2.gz	JCJPLUSJLIHBJA-MUDNTRMXSA-N	-1	3	832.838	-1.380	1	10		KACFHM