!- mode(molecule(+)).
!- mode(atom_atom_mapping_number(+,-)).
!- mode(atom_coordinate_x(+,-)).
!- mode(atom_coordinate_y(+,-)).
!- mode(atom_coordinate_z(+,-)).
!- mode(atom_number(+,+,-)).
!- mode(atom_symbol(+,-)).
!- mode(bond(+)).
!- mode(bond_atom(+,-)).
!- mode(bond_made_or_broken_and_a_center(+)).
!- mode(bond_made_or_broken_and_bond_order_changes(+)).
!- mode(bond_made_or_broken_and_bond_order_changes_and_a_Center(+)).
!- mode(charge(+,-)).
!- mode(chemclass_erb(+,-)).
!- mode(chemicalnote(+,-)).
!- mode(double_bond(+)).
!- mode(double_bond_derive_cis_or_trans_isomerism_from_xyz_coords(+)).
!- mode(double_or_aromatic_bond(+)).
!- mode(dsstox_cid(+,-)).
!- mode(dsstox_fileid(+,-)).
!- mode(dsstox_generic_sid(+,-)).
!- mode(dsstox_rid(+,-)).
!- mode(either_ring_or_chain_topology(+)).
!- mode(endpoint(+,-)).
!- mode(er_rba(+,-)).
!- mode(f1_ring(+,-)).
!- mode(f2_aromaticring(+,-)).
!- mode(f3_phenolicring(+,-)).
!- mode(f4_heteroatom(+,-)).
!- mode(f5_phenol3nphenyl(+,-)).
!- mode(f6_otherkeyfeatures(+,-)).
!- mode(first_bound_atom(+,-)).
!- mode(has_atom(+,-)).
!- mode(has_binding_with(+,-)).
!- mode(has_bond(+,-)).
!- mode(is_atom(+)).
!- mode(log_er_rba(+,-)).
!- mode(logp(+,-)).
!- mode(mass_difference(+,-)).
!- mode(mean_er_rba_chemclass(+,-)).
!- mode(non_stereo_bond(+)).
!- mode(note_nctrer(+,-)).
!- mode(number_of_atom_lists(+,-)).
!- mode(number_of_atoms(+,-)).
!- mode(number_of_bonds(+,-)).
!- mode(second_bound_atom(+,-)).
!- mode(single_bond(+)).
!- mode(single_bond_down_stereochemistry(+)).
!- mode(single_bond_either_up_or_down_stereochemistry(+)).
!- mode(single_bond_up_stereochemistry(+)).
!- mode(single_or_aromatic_bond(+)).
!- mode(single_or_double_bond(+)).
!- mode(species(+,-)).
!- mode(structure_chemicalname_iupac(+,-)).
!- mode(structure_chemicaltype(+,-)).
!- mode(structure_formula(+,-)).
!- mode(structure_inchi(+,-)).
!- mode(structure_inchikey(+,-)).
!- mode(structure_molecularweight(+,-)).
!- mode(structure_parent_smiles(+,-)).
!- mode(structure_shown(+,-)).
!- mode(structure_smiles(+,-)).
!- mode(symbol(+)).
!- mode(triple_bond(+)).
!- mode(unmarked(+)).

!- determination(molecule/1,atom_atom_mapping_number/2).
!- determination(molecule/1,atom_coordinate_x/2).
!- determination(molecule/1,atom_coordinate_y/2).
!- determination(molecule/1,atom_coordinate_z/2).
!- determination(molecule/1,atom_number/2).
!- determination(molecule/1,atom_symbol/2).
!- determination(molecule/1,bond/1).
!- determination(molecule/1,bond_atom/2).
!- determination(molecule/1,bond_made_or_broken_and_a_center/1).
!- determination(molecule/1,bond_made_or_broken_and_bond_order_changes/1).
!- determination(molecule/1,bond_made_or_broken_and_bond_order_changes_and_a_Center/1).
!- determination(molecule/1,charge/2).
!- determination(molecule/1,chemclass_erb/2).
!- determination(molecule/1,chemicalnote/2).
!- determination(molecule/1,double_bond/1).
!- determination(molecule/1,double_bond_derive_cis_or_trans_isomerism_from_xyz_coords/1).
!- determination(molecule/1,double_or_aromatic_bond/1).
!- determination(molecule/1,dsstox_cid/2).
!- determination(molecule/1,sstox_fileid/2).
!- determination(molecule/1,dsstox_generic_sid/2).
!- determination(molecule/1,dsstox_rid/2).
!- determination(molecule/1,either_ring_or_chain_topology/1).
!- determination(molecule/1,endpoint/2).
!- determination(molecule/1,er_rba/2).
!- determination(molecule/1,f1_ring/2).
!- determination(molecule/1,f2_aromaticring/2).
!- determination(molecule/1,f3_phenolicring/2).
!- determination(molecule/1,f4_heteroatom/2).
!- determination(molecule/1,f5_phenol3nphenyl/2).
!- determination(molecule/1,f6_otherkeyfeatures/2).
!- determination(molecule/1,first_bound_atom/2).
!- determination(molecule/1,has_atom/2).
!- determination(molecule/1,has_binding_with/2).
!- determination(molecule/1,has_bond/2).
!- determination(molecule/1,is_atom/1).
!- determination(molecule/1,log_er_rba/2).
!- determination(molecule/1,logp/2).
!- determination(molecule/1,mass_difference/2).
!- determination(molecule/1,mean_er_rba_chemclass/2).
!- determination(molecule/1,non_stereo_bond/1).
!- determination(molecule/1,note_nctrer/2).
!- determination(molecule/1,number_of_atom_lists/2).
!- determination(molecule/1,number_of_atoms/2).
!- determination(molecule/1,number_of_bonds/2).
!- determination(molecule/1,second_bound_atom/2).
!- determination(molecule/1,single_bond/1).
!- determination(molecule/1,single_bond_down_stereochemistry/1).
!- determination(molecule/1,single_bond_either_up_or_down_stereochemistry/1).
!- determination(molecule/1,single_bond_up_stereochemistry/1).
!- determination(molecule/1,single_or_aromatic_bond/1).
!- determination(molecule/1,single_or_double_bond/1).
!- determination(molecule/1,species/2).
!- determination(molecule/1,structure_chemicalname_iupac/2).
!- determination(molecule/1,structure_chemicaltype/2).
!- determination(molecule/1,structure_formula/2).
!- determination(molecule/1,structure_inchi/2).
!- determination(molecule/1,structure_inchikey/2).
!- determination(molecule/1,structure_molecularweight/2).
!- determination(molecule/1,structure_parent_smiles/2).
!- determination(molecule/1,structure_shown/2).
!- determination(molecule/1,structure_smiles/2).
!- determination(molecule/1,symbol/1).
!- determination(molecule/1,triple_bond/1).
!- determination(molecule/1,unmarked/1).

