smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)CCC[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000005179682 170073990 /nfs/dbraw/zinc/07/39/90/170073990.db2.gz LAXVOERDPHPAAJ-INIZCTEOSA-N 2 3 271.493 2.818 40 0 CFABHP CCN(CC)CCC[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000006382019 170196819 /nfs/dbraw/zinc/19/68/19/170196819.db2.gz LAXVOERDPHPAAJ-MRXNPFEDSA-N 2 3 271.493 2.818 40 0 CFABHP