smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CC[C@@H](O)C2)N3C)cc1 ZINC000035442587 522182618 /nfs/dbraw/zinc/18/26/18/522182618.db2.gz RETPFXXVWVMYSB-GNXKAVGDSA-N 0 1 443.592 0.499 10 10 biogenic ICCEMN