smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCNc1ccnc2c1ccc1c(NCC[NH3+])ccnc12 ZINC000045340345 175361070 /nfs/dbraw/zinc/36/10/70/175361070.db2.gz GBNDRIVALDKOLH-UHFFFAOYSA-N 2 3 296.378 1.524 1 5 CDBFHP CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(C[N+](C)(C)C)c1 ZINC000040670183 717127526 /nfs/dbraw/zinc/12/75/26/717127526.db2.gz MHHAVOFGPUEZBD-UHFFFAOYSA-N 2 3 289.407 1.078 1 5 CDBFHP