smiles
Version:
OpenSMILES compatible parser and serializer
63 lines (62 loc) • 946 B
JSON
{
"label": "Ringbond",
"smiles": "c1ccc%10CCCc=%10c1",
"tokens": [
{
"type": "AromaticOrganic",
"value": "c"
},
{
"type": "Ringbond",
"value": 1
},
{
"type": "AromaticOrganic",
"value": "c"
},
{
"type": "AromaticOrganic",
"value": "c"
},
{
"type": "AromaticOrganic",
"value": "c"
},
{
"type": "Ringbond",
"value": 10
},
{
"type": "AliphaticOrganic",
"value": "C"
},
{
"type": "AliphaticOrganic",
"value": "C"
},
{
"type": "AliphaticOrganic",
"value": "C"
},
{
"type": "AromaticOrganic",
"value": "c"
},
{
"type": "Bond",
"value": "="
},
{
"type": "Ringbond",
"value": 10
},
{
"type": "AromaticOrganic",
"value": "c"
},
{
"type": "Ringbond",
"value": 1
}
]
}