smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@@H]1[C@H]2C[N@H+](Cc3cccc(-c4ccco4)c3)C[C@H]21 ZINC000217413630 376173955 /nfs/dbraw/zinc/17/39/55/376173955.db2.gz NHANUSYJQVSPBQ-NNZMDNLPSA-N 2 1 296.414 3.186 50 70 CGIAMP FC(F)(F)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161310238 372316688 /nfs/dbraw/zinc/31/66/88/372316688.db2.gz WPUBHEUTBNOTJO-UHFFFAOYSA-N 2 1 278.362 3.137 50 70 CGIAMP