smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H](CCCCn1cccc1CCC(=O)[O-])NC(=O)CNC(C)=O ZINC000139138323 570403950 /nfs/dbraw/zinc/40/39/50/570403950.db2.gz VBZGZUAKQLIUCN-HNNXBMFYSA-N -1 0 381.429 0.470 30 0 GCACRM