smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)O[C@H]2[C@@H](O1)[C@@H]1NCc3c(O)c4c(cc3C1=C[C@@H]2O)OCO4 ZINC000040897311 213398369 /nfs/dbraw/zinc/39/83/69/213398369.db2.gz OLCOUKLDIJVTFB-SFXCNKRSSA-N 0 1 333.340 0.871 1 10 ECCFMN