smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)C1=O ZINC000217599116 571601769 /nfs/dbraw/zinc/60/17/69/571601769.db2.gz JFSACOGEXOVPMC-KGPRRQHISA-N 0 1 528.030 2.976 50 70 KFIAMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@H](Cc3ccccc3)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000217674444 571602306 /nfs/dbraw/zinc/60/23/06/571602306.db2.gz SIHWJLLANVMQEL-WTBAIAJFSA-N 0 1 509.562 2.812 50 70 KFIAMN