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)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]C1CC[NH+](Cc3ccc(N)cc3)CC1)C2 ZINC000040893273 213398075 /nfs/dbraw/zinc/39/80/75/213398075.db2.gz CIYKQQFNVHITDL-ZNLUXHQJSA-N 2 1 341.543 4.038 1 10 EICFMP