smiles
Version:
OpenSMILES compatible parser and serializer
1,375 lines (1,374 loc) • 22.4 kB
JSON
{
"label": "ElementSymbol",
"smiles": "[H][He][Li][Be][B][C][N][O][F][Ne][Na][Mg][Al][Si][P][S][Cl][Ar][K][Ca][Sc][Ti][V][Cr][Mn][Fe][Co][Ni][Cu][Zn][Ga][Ge][As][Se][Br][Kr][Rb][Sr][Y][Zr][Nb][Mo][Tc][Ru][Rh][Pd][Ag][Cd][In][Sn][Sb][Te][I][Xe][Cs][Ba][Hf][Ta][W][Re][Os][Ir][Pt][Au][Hg][Tl][Pb][Bi][Po][At][Rn][Fr][Ra][Rf][Db][Sg][Bh][Hs][Mt][Ds][Rg][Cn][Fl][Lv][La][Ce][Pr][Nd][Pm][Sm][Eu][Gd][Tb][Dy][Ho][Er][Tm][Yb][Lu][Ac][Th][Pa][U][Np][Pu][Am][Cm][Bk][Cf][Es][Fm][Md][No][Lr]",
"tokens": [
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "H"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "He"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Li"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Be"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "B"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "C"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "N"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "O"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "F"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ne"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Na"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Mg"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Al"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Si"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "P"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "S"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Cl"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ar"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "K"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ca"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Sc"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ti"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "V"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Cr"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Mn"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Fe"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Co"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ni"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Cu"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Zn"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ga"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ge"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "As"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Se"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Br"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Kr"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Rb"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Sr"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Y"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Zr"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Nb"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Mo"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Tc"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ru"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Rh"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Pd"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ag"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Cd"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "In"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Sn"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Sb"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Te"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "I"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Xe"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Cs"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ba"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Hf"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ta"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "W"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Re"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Os"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ir"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Pt"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Au"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Hg"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Tl"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Pb"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Bi"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Po"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "At"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Rn"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Fr"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ra"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Rf"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Db"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Sg"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Bh"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Hs"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Mt"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ds"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Rg"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Cn"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Fl"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Lv"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "La"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ce"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Pr"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Nd"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Pm"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Sm"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Eu"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Gd"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Tb"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Dy"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ho"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Er"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Tm"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Yb"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Lu"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Ac"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Th"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Pa"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "U"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Np"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Pu"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Am"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Cm"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Bk"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Cf"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Es"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Fm"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Md"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "No"
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "Lr"
},
{
"type": "BracketAtom",
"value": "end"
}
]
}