smiles
Version:
OpenSMILES compatible parser and serializer
103 lines (102 loc) • 1.56 kB
JSON
{
"label": "Charge",
"smiles": "[C-][C-2][C-15][C+][C+2][C+15]",
"tokens": [
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "C"
},
{
"type": "Charge",
"value": -1
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "C"
},
{
"type": "Charge",
"value": -2
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "C"
},
{
"type": "Charge",
"value": -15
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "C"
},
{
"type": "Charge",
"value": 1
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "C"
},
{
"type": "Charge",
"value": 2
},
{
"type": "BracketAtom",
"value": "end"
},
{
"type": "BracketAtom",
"value": "begin"
},
{
"type": "ElementSymbol",
"value": "C"
},
{
"type": "Charge",
"value": 15
},
{
"type": "BracketAtom",
"value": "end"
}
]
}