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)CC[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000299774049 556695241 /nfs/dbraw/zinc/69/52/41/556695241.db2.gz FJGHNXNPGAUDPE-NZQKXSOJSA-N 2 1 425.573 2.937 50 10 IFCAMP