smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCC[C@@H]1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000217851768 569881857 /nfs/dbraw/zinc/88/18/57/569881857.db2.gz MQVIMSHJAAFVPS-CRICUBBOSA-N 0 3 492.576 2.809 50 70 biogenic JFIAHN CCN1CCC[C@H]1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000217851833 569881806 /nfs/dbraw/zinc/88/18/06/569881806.db2.gz MQVIMSHJAAFVPS-SSOJOUAXSA-N 0 3 492.576 2.809 50 70 biogenic JFIAHN