smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C2=CCC[C@H](CC[N+](C)(C)C)[C@H]1CCCC2 ZINC000104277568 370342436 /nfs/dbraw/zinc/34/24/36/370342436.db2.gz OMBLMIDOBXNZNL-GDBMZVCRSA-N 1 3 251.438 3.251 50 5 CGBAHO CN1C2=CCC[C@@H](CC[N+](C)(C)C)[C@H]1CCCC2 ZINC000216341616 376163122 /nfs/dbraw/zinc/16/31/22/376163122.db2.gz OMBLMIDOBXNZNL-GOEBONIOSA-N 1 3 251.438 3.251 50 5 CGBAHO