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@]1(O)C[C@H](O[C@@H]2C[C@H]([NH+](C)C)[C@H](O)[C@H](C)O2)c2c(O)c3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	ZINC000038147302	562065514	/nfs/dbraw/zinc/06/55/14/562065514.db2.gz	LJZPVWKMAYDYAS-CVSSFTMOSA-N	1	0	569.607	2.158	10	10		KECERO
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](OCc2ccccc2)[C@H](C)O1	ZINC000072267022	562733034	/nfs/dbraw/zinc/73/30/34/562733034.db2.gz	FIGNGSHKNAHTSH-JJMFXPFOSA-N	1	0	633.650	2.226	10	10	investigational	KECERO
O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CC[NH2+]CC3)cc1CNCC2=O)NCc1ccccc1F	ZINC000100035190	554187920	/nfs/dbraw/zinc/18/79/20/554187920.db2.gz	NVVOSZDJNRLSTK-RQPZTNHCSA-N	1	0	535.664	2.445	10	10		KECERO