smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCC[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)ccn1 ZINC000101853442 390460445 /nfs/dbraw/zinc/46/04/45/390460445.db2.gz XQNQNGLJVYWDDM-FVQHAEBGSA-N 2 3 286.423 1.368 50 0 CDAAHP Cc1cc(N2CCC[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)ccn1 ZINC000101853442 390460448 /nfs/dbraw/zinc/46/04/48/390460448.db2.gz XQNQNGLJVYWDDM-FVQHAEBGSA-N 2 3 286.423 1.368 50 0 CDAAHP