smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)N(C)C(=O)C(Cc2ccc(OC[C@@H](O)c3ccccc3)cc2)(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000217409286 571601331 /nfs/dbraw/zinc/60/13/31/571601331.db2.gz VOYKGCIIGXHHRT-FKIGELJASA-N 1 1 584.673 2.659 50 70 KFIAMO CN1C(=O)N(C)C(=O)C(Cc2ccc(OC[C@H](O)c3ccccc3)cc2)(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000217409365 571601432 /nfs/dbraw/zinc/60/14/32/571601432.db2.gz VOYKGCIIGXHHRT-CRRLPVGBSA-N 1 1 584.673 2.659 50 70 KFIAMO