smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH3+])c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000015019953 136378689 /nfs/dbraw/zinc/37/86/89/136378689.db2.gz XJVHABBENGKDKR-MRXNPFEDSA-N 1 3 295.430 3.029 40 10 CGCBHO C[C@H]([NH3+])c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000015019954 136378959 /nfs/dbraw/zinc/37/89/59/136378959.db2.gz XJVHABBENGKDKR-INIZCTEOSA-N 1 3 295.430 3.029 40 10 CGCBHO