smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)O1 ZINC000011791185 132350743 /nfs/dbraw/zinc/35/07/43/132350743.db2.gz KHBOHEYDVLBHGI-FQEVSTJZSA-N 1 0 401.551 2.345 10 10 HECERO COCC(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccc4c(c3)CCCN4C)CC2)O1 ZINC000011791186 132350736 /nfs/dbraw/zinc/35/07/36/132350736.db2.gz KHBOHEYDVLBHGI-HXUWFJFHSA-N 1 0 401.551 2.345 10 10 HECERO