smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc[nH]c1CSCCNC[C@@]1(O)C[NH2+]CCOC1 ZINC000077555643 374724310 /nfs/dbraw/zinc/72/43/10/374724310.db2.gz BCXCWPMNEGOXOK-ZDUSSCGKSA-N 1 3 300.428 -0.108 50 10 DBCAHO Cc1nc[nH]c1CSCCNC[C@]1(O)C[NH2+]CCOC1 ZINC000077555639 374723678 /nfs/dbraw/zinc/72/36/78/374723678.db2.gz BCXCWPMNEGOXOK-CYBMUJFWSA-N 1 3 300.428 -0.108 50 10 DBCAHO