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Open source JavaScript toolkit for chemoinformatics

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/** * Created by ginger on 2016/9/15. */ /** * @fileoverview * Some predefined repository item data used by composer. * @author Partridge Jiang */ (function(){ Kekule.Editor.RepositoryData = { /* Common subgroups: Me, Et, nPr, iPr, nBu, iBu, sBu, tBu, Ph, Bn, Bz, CCl3, CBr3, CI3, OMe, OEt, OtBu CHO, CO, COOH, CO3H, COONa, COOK, COOMe, COOEt, COCl, COBr, CONH2, CN, Ac, OAc, COMe, COEt, NMe2, NO2, NO, (N2+) SO3H, SO2Cl, Py, MgCl, MgBr */ subGroups: [ // Me //{"inputTexts":["Me","CH3"],"structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"Me\",\"__type__\":\"Kekule.SubGroup\"}"}, {"name": "methyl", "inputTexts":["Me","CH3"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"info\":{\"generator\":\"ChemDraw\",\"date\":{\"__type__\":\"date\",\"date\":\"Thu, 15 Sep 2016 15:49:02 GMT\"},\"__type__\":\"object\"},\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[],\"connectors\":[],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"Me\",\"__type__\":\"Kekule.SubGroup\"}"}, // Et {"name": "ethyl", "inputTexts":["Et","C2H5"],"structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-0.34641016151377535,\"y\":-0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.34641016151377535,\"y\":0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"Et\",\"__type__\":\"Kekule.SubGroup\"}"}, // n-Pr {"name": "n-propyl", "inputTexts":["n-Pr","nPr","C3H7"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-0.6928203230275507,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275507,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[1,2]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"n-Pr\",\"formulaText\":\"C3H7\",\"__type__\":\"Kekule.SubGroup\"}"}, // i-Pr {"name": "i-propyl", "inputTexts":["i-Pr","iPr"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[],\"coord2D\":{\"x\":-0.6928203230275507,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":0,\"y\":0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[],\"coord2D\":{\"x\":0.6928203230275507,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[1],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[1,2]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"i-Pr\",\"__type__\":\"Kekule.SubGroup\"}"}, // nBu {"name": "n-butyl", "inputTexts":["n-Bu","nBu","C4H9"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-1.039230484541326,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[],\"coord2D\":{\"x\":-0.34641016151377535,\"y\":0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[],\"coord2D\":{\"x\":0.34641016151377535,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":1.039230484541326,\"y\":0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[1,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[2,3]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"n-Bu\",\"formulaText\":\"C4H9\",\"__type__\":\"Kekule.SubGroup\"}"}, // iBu {"name": "i-butyl", "inputTexts":["i-Bu","iBu"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-0.6928203230275507,\"y\":-0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[],\"coord2D\":{\"x\":0,\"y\":-0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[],\"coord2D\":{\"x\":0.6928203230275507,\"y\":-0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[1,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[1,3]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"i-Bu\",\"__type__\":\"Kekule.SubGroup\"}"}, // sBu {"name": "s-butyl", "inputTexts":["s-Bu","sBu"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[],\"coord2D\":{\"x\":-1.039230484541326,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-0.34641016151377535,\"y\":0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[],\"coord2D\":{\"x\":0.34641016151377535,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":1.039230484541326,\"y\":0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[1],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[1,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[2,3]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"s-Bu\",\"__type__\":\"Kekule.SubGroup\"}"}, // tBu {"name": "t-butyl", "inputTexts":["t-Bu","tBu"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":0,\"y\":-0.3999999999999915,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275507,\"y\":7.105427357601002e-15,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275507,\"y\":7.105427357601002e-15,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,3]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"t-Bu\",\"__type__\":\"Kekule.SubGroup\"}"}, // Ph {"name": "phenyl", "inputTexts":["Ph","C6H5"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":8.881784197001252e-16,\"y\":-0.7999999999999972,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275516,\"y\":-0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275516,\"y\":0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":8.881784197001252e-16,\"y\":0.7999999999999972,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275516,\"y\":0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275516,\"y\":-0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[1,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[2,3]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"overrideRenderOptionItems\":[],\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[3,4]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[4,5]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[5,0]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"Ph\",\"formulaText\":\"C6H5\",\"__type__\":\"Kekule.SubGroup\"}"}, // Bn {"name": "benzyl", "inputTexts":["Bn"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":8.881784197001252e-16,\"y\":-1.1999999999999957,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275516,\"y\":-0.7999999999999972,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275516,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":8.881784197001252e-16,\"y\":0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275516,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275516,\"y\":-0.7999999999999972,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":8.881784197001252e-16,\"y\":1.1999999999999957,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[6],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[1,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[2,3]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"overrideRenderOptionItems\":[],\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[3,4]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[4,5]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[5,0]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[3,6]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"Bn\",\"__type__\":\"Kekule.SubGroup\"}"}, // Bz {"name": "benzoyl", "inputTexts":["Bz"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":8.881784197001252e-16,\"y\":-1.399999999999995,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275516,\"y\":-0.9999999999999964,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275516,\"y\":-0.1999999999999993,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":8.881784197001252e-16,\"y\":0.1999999999999993,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275516,\"y\":-0.1999999999999993,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275516,\"y\":-0.9999999999999964,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":8.881784197001252e-16,\"y\":0.9999999999999964,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275498,\"y\":1.399999999999995,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"}],\"anchorNodes\":[6],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[1,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[2,3]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"overrideRenderOptionItems\":[],\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[3,4]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[4,5]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[5,0]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[3,6]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[6,7]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"Bz\",\"__type__\":\"Kekule.SubGroup\"}"}, // CF3 {"inputTexts":["CF3"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":0,\"y\":-0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275507,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"F\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275507,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"F\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":0.3999999999999915,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"F\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,3]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"CF3\",\"__type__\":\"Kekule.SubGroup\"}"}, // CCl3 {"inputTexts":["CCl3"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":0,\"y\":-0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275507,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"Cl\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275507,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"Cl\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":0.3999999999999915,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"Cl\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,3]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"CCl3\",\"__type__\":\"Kekule.SubGroup\"}"}, // CBr3 {"inputTexts":["CBr3"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":0,\"y\":-0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275507,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"Br\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275507,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"Br\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":0.3999999999999915,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"Br\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,3]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"CBr3\",\"__type__\":\"Kekule.SubGroup\"}"}, // CI3 {"inputTexts":["CI3"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":0,\"y\":-0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275507,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"I\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275507,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"I\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":0.3999999999999915,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"I\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,3]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"CI3\",\"__type__\":\"Kekule.SubGroup\"}"}, // OMe {"inputTexts":["OMe","OCH3"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.34641016151377535,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.34641016151377535,\"y\":0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"OMe\",\"__type__\":\"Kekule.SubGroup\"}"}, // OEt {"inputTexts":["OEt","OC2H5"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275507,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275507,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[1,2]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"OEt\",\"__type__\":\"Kekule.SubGroup\"}"}, // OtBu {"inputTexts":["Ot-Bu", "OtBu"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275525,\"y\":-0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-1.7763568394002505e-15,\"y\":-0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275454,\"y\":0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275525,\"y\":-0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":1.7763568394002505e-15,\"y\":0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[1,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[1,3]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[1,4]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"Ot-Bu\",\"__type__\":\"Kekule.SubGroup\"}"}, // CO {"inputTexts":["CO"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":0,\"y\":-0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"CO\",\"__type__\":\"Kekule.SubGroup\"}"}, // CHO {"inputTexts":["CHO"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":0,\"y\":-0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":0.3999999999999986,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"CHO\",\"__type__\":\"Kekule.SubGroup\"}"}, // COOH {"name": "carboxyl", "inputTexts":["COOH","CO2H"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-0.34641016151377535,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.34641016151377535,\"y\":0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.34641016151377535,\"y\":-0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"COOH\",\"__type__\":\"Kekule.SubGroup\"}"}, // COOOH {"inputTexts":["COOOH","CO3H","CO2OH"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-0.6928203230275507,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275507,\"y\":0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":-0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275507,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[2,3]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"CO3H\",\"__type__\":\"Kekule.SubGroup\"}"}, // COONa {"inputTexts":["COONa"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-0.6928203230275507,\"y\":-0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275507,\"y\":0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":-0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275507,\"y\":-0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"Na\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[2,3]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"COONa\",\"__type__\":\"Kekule.SubGroup\"}"}, // COOK {"inputTexts":["COOK"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-0.6928203230275507,\"y\":-0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275507,\"y\":0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":-0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275507,\"y\":-0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"K\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[2,3]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"COOK\",\"__type__\":\"Kekule.SubGroup\"}"}, // COOMe {"inputTexts":["COOCH3","COOMe"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-0.6928203230275507,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275507,\"y\":0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":-0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275507,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[2,3]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"COOMe\",\"__type__\":\"Kekule.SubGroup\"}"}, // COOEt {"inputTexts":["COOC2H5","COOEt"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-1.039230484541326,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-1.039230484541326,\"y\":0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.34641016151377535,\"y\":-0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.34641016151377535,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":1.039230484541326,\"y\":-0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[2,3]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[3,4]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"COOEt\",\"__type__\":\"Kekule.SubGroup\"}"}, // COCl {"inputTexts":["COCl"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-0.34641016151377535,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.34641016151377535,\"y\":0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.34641016151377535,\"y\":-0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"Cl\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"COCl\",\"__type__\":\"Kekule.SubGroup\"}"}, // COBr {"inputTexts":["COBr"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-0.34641016151377535,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.34641016151377535,\"y\":0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.34641016151377535,\"y\":-0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"Br\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"COBr\",\"__type__\":\"Kekule.SubGroup\"}"}, // CONH2 {"inputTexts":["CONH2"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-0.34641016151377535,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.34641016151377535,\"y\":0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.34641016151377535,\"y\":-0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"N\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"CONH2\",\"__type__\":\"Kekule.SubGroup\"}"}, // Ac {"inputTexts":["Ac"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":-0.34641016151377535,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.34641016151377535,\"y\":0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.34641016151377535,\"y\":-0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"abbr\":\"Ac\",\"__type__\":\"Kekule.SubGroup\"}"}, // OAc {"inputTexts":["OAc"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":0,\"y\":-0.20000000000000284,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0,\"y\":0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.6928203230275507,\"y\":-0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.6928203230275507,\"y\":-0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"}],\"anchorNodes\":[3],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,3]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"OAc\",\"__type__\":\"Kekule.SubGroup\"}"}, // MeCO/COMe {"inputTexts":["MeCO","COMe"],"dataFormat":"Kekule-JSON","structData":"{\"id\":null,\"coord2D\":{\"x\":0,\"y\":0,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"ctab\":{\"nodes\":[{\"__type__\":\"Kekule.Atom\",\"id\":null,\"overrideRenderOptionItems\":[null],\"coord2D\":{\"x\":0.34641016151377535,\"y\":-0.19999999999999574,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":0.3464101615137771,\"y\":0.6000000000000014,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"O\"},{\"__type__\":\"Kekule.Atom\",\"id\":null,\"coord2D\":{\"x\":-0.3464101615137771,\"y\":-0.5999999999999943,\"__type__\":\"object\"},\"charge\":0,\"parity\":null,\"isotopeId\":\"C\"}],\"anchorNodes\":[0],\"connectors\":[{\"__type__\":\"Kekule.Bond\",\"id\":null,\"bondType\":\"covalent\",\"bondOrder\":2,\"electronCount\":4,\"isInAromaticRing\":false,\"connectedObjs\":[0,1]},{\"__type__\":\"Kekule.Bond\",\"id\":null,\"parity\":null,\"bondType\":\"covalent\",\"bondOrder\":1,\"electronCount\":2,\"isInAromaticRing\":false,\"connectedObjs\":[0,2]}],\"__type__\":\"Kekule.StructureConnectionTable\"},\"formulaText\":\"COMe\",\"__type__\":\"K