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]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CC[NH+](C)CC1 ZINC000161285852 540032162 /nfs/dbraw/zinc/03/21/62/540032162.db2.gz UNZVOBGRGHNWIY-MRXNPFEDSA-N 2 3 346.519 1.798 20 70 EDIDHP C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CC[NH+](C)CC1 ZINC000161285751 540032364 /nfs/dbraw/zinc/03/23/64/540032364.db2.gz UNZVOBGRGHNWIY-INIZCTEOSA-N 2 3 346.519 1.798 20 70 EDIDHP