smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccccc1C[NH+]1CCC2(CC1)Nc1ccccc1C1=[NH+]CCN12 ZINC000072327120 203201103 /nfs/dbraw/zinc/20/11/03/203201103.db2.gz AXMZHWKIFQMURJ-UHFFFAOYSA-N 2 1 348.450 2.872 40 10 EFCBMP c1cc(CC[NH+]2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)ccn1 ZINC000078394239 217046791 /nfs/dbraw/zinc/04/67/91/217046791.db2.gz ABJVZZLJYISSTM-UHFFFAOYSA-N 2 1 337.467 2.813 40 10 EFCBMP