smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncc(CO[P@](=O)([O-])O)c(C[NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)[O-])c1O ZINC000013536865 562992407 /nfs/dbraw/zinc/99/24/07/562992407.db2.gz AWDORQGDSMVQAK-ZDUSSCGKSA-N -1 2 428.334 0.902 1 10 ICCFLM Cc1ncc(CO[P@@](=O)([O-])O)c(C[NH2+][C@@H](Cc2ccc(O)c(O)c2)C(=O)[O-])c1O ZINC000013536865 562992405 /nfs/dbraw/zinc/99/24/05/562992405.db2.gz AWDORQGDSMVQAK-ZDUSSCGKSA-N -1 2 428.334 0.902 1 10 ICCFLM