0 B3R0.2 BrC(Br)I RT13513 [0,0,0,0,0,0|3,0,1]=4 1 B3R0.2 BrP(Br)Br RT1280 [0,0,0,0,0,0|4,0,0]=4 2 B3R0.2 C(F)(Br)Br HL2045 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.2 C=C(C)C HL1444 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.2 C=C(C)Cl LQ1041 [0,0,0,0,0,0|3,0,0]=3 5 B3R0.2 C=C(Cl)Cl LQ0092 [0,0,0,0,0,0|3,0,0]=3 6 B3R0.2 C=C(F)F LQ4457 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.2 C=[N+](C)C LQ4806 [0,0,0,0,0,0|4,0,0]=4 8 B3R0.2 CB(C)Br LQ2820 [0,0,0,0,0,0|4,0,0]=4 9 B3R0.2 CC(=N)N RT17426 [0,0,0,0,0,0|1,0,0]=1 10 B3R0.2 CC(=O)F LQ1042 [0,0,0,0,0,0|2,0,1]=3 11 B3R0.2 CC(=O)O JZ3704 [0,0,0,0,0,0|2,0,0]=2 12 B3R0.2 CC(=O)O XJ0034 [0,0,0,0,0,0|2,0,0]=2 13 B3R0.2 CC(=O)[O-] HL0535 [0,0,0,0,0,0|2,0,1]=3 14 B3R0.2 CC(=O)[O-] HL1089 [0,0,0,0,0,0|2,0,1]=3 15 B3R0.2 CC(=O)[O-] HL1536 [0,0,0,0,0,0|2,0,1]=3 16 B3R0.2 CC(=O)[O-] HL1556 [0,0,0,0,0,0|2,0,1]=3 17 B3R0.2 CC(=O)[O-] HL1980 [0,0,0,0,0,0|2,0,1]=3 18 B3R0.2 CC(=O)[O-] JZ2733 [0,0,0,0,0,0|2,0,1]=3 19 B3R0.2 CC(=O)[O-] JZ3035 [0,0,0,0,0,0|2,0,1]=3 20 B3R0.2 CC(=O)[O-] JZ4063 [0,0,0,0,0,0|2,0,1]=3 21 B3R0.2 CC(=O)[O-] JZ4064 [0,0,0,0,0,0|2,0,1]=3 22 B3R0.2 CC(=O)[O-] JZ5083 [0,0,0,0,0,0|2,0,1]=3 23 B3R0.2 CC(=O)[O-] JZ5622 [0,0,0,0,0,0|2,0,1]=3 24 B3R0.2 CC(=O)[O-] LL2757 [0,0,0,0,0,0|2,0,1]=3 25 B3R0.2 CC(=O)[O-] LQ1063 [0,0,0,0,0,0|2,0,1]=3 26 B3R0.2 CC(=O)[O-] LQ1064 [0,0,0,0,0,0|2,0,1]=3 27 B3R0.2 CC(=O)[O-] LQ1143 [0,0,0,0,0,0|2,0,1]=3 28 B3R0.2 CC(=O)[O-] LQ1294 [0,0,0,0,0,0|2,0,1]=3 29 B3R0.2 CC(=O)[O-] LQ1601 [0,0,0,0,0,0|2,0,1]=3 30 B3R0.2 CC(=O)[O-] LQ2985 [0,0,0,0,0,0|2,0,1]=3 31 B3R0.2 CC(=O)[O-] LQ3945 [0,0,0,0,0,0|2,0,1]=3 32 B3R0.2 CC(=O)[O-] LQ4020 [0,0,0,0,0,0|2,0,1]=3 33 B3R0.2 CC(=O)[O-] LQ5168 [0,0,0,0,0,0|2,0,1]=3 34 B3R0.2 CC(=O)[O-] LT7507 [0,0,0,0,0,0|2,0,1]=3 35 B3R0.2 CC(=O)[O-] LT7843 [0,0,0,0,0,0|2,0,1]=3 36 B3R0.2 CC(=O)[O-] XJ0536 [0,0,0,0,0,0|2,0,1]=3 37 B3R0.2 CC(=O)[O-] XJ0713 [0,0,0,0,0,0|2,0,1]=3 38 B3R0.2 CC(=O)[O-] XJ0970 [0,0,0,0,0,0|2,0,1]=3 39 B3R0.2 CC(=O)[O-] XJ2980 [0,0,0,0,0,0|2,0,1]=3 40 B3R0.2 CC(=O)[O-] YH65813 [0,0,0,0,0,0|2,0,1]=3 41 B3R0.2 CC(C)I LQ0090 [0,0,0,0,0,0|3,0,1]=4 42 B3R0.2 CC(C)S LQ0091 [0,0,0,0,0,0|2,1,1]=4 43 B3R0.2 CC(C)[O-] JZ4937 [0,0,0,0,0,0|2,0,2]=4 44 B3R0.2 CC(C)[O-] JZ5329 [0,0,0,0,0,0|2,0,2]=4 45 B3R0.2 CC(C)[O-] JZ5330 [0,0,0,0,0,0|2,0,2]=4 46 B3R0.2 CC(C)[O-] JZ5591 [0,0,0,0,0,0|2,0,2]=4 47 B3R0.2 CC(C)[O-] LL1978 [0,0,0,0,0,0|2,0,2]=4 48 B3R0.2 CC(C)[O-] LQ3154 [0,0,0,0,0,0|2,0,2]=4 49 B3R0.2 CC(C)[O-] LQ3155 [0,0,0,0,0,0|2,0,2]=4 50 B3R0.2 CC(C)[O-] LQ3188 [0,0,0,0,0,0|2,0,2]=4 51 B3R0.2 CC(C)[O-] LQ4092 [0,0,0,0,0,0|2,0,2]=4 52 B3R0.2 CC(C)[O-] XJ2702 [0,0,0,0,0,0|2,0,2]=4 53 B3R0.2 CC(C)[O-] XJ6011 [0,0,0,0,0,0|2,0,2]=4 54 B3R0.2 CC(Cl)Br LQ1089 [0,0,0,0,0,0|3,0,1]=4 55 B3R0.2 CC(Cl)Cl HL0746 [0,0,0,0,0,0|3,0,1]=4 56 B3R0.2 CC(Cl)Cl RT17620 [0,0,0,0,0,0|3,0,1]=4 57 B3R0.2 CC(F)F LQ0094 [0,0,0,0,0,0|3,0,1]=4 58 B3R0.2 CN(C)C JZ2219 [0,0,0,0,0,0|4,0,0]=4 59 B3R0.2 CP(C)C LL1775 [0,0,0,0,0,0|4,0,0]=4 60 B3R0.2 CS(C)=O XJ0069 [0,0,0,0,0,0|3,0,1]=4 61 B3R0.2 C[As](C)I RT5919 [0,0,0,0,0,0|4,0,0]=4 62 B3R0.2 C[As](I)I RT16135 [0,0,0,0,0,0|4,0,0]=4 63 B3R0.2 C[S+](C)C HL2475 [0,0,0,0,0,0|4,0,0]=4 64 B3R0.2 C[S+](C)C JZ1912 [0,0,0,0,0,0|4,0,0]=4 65 B3R0.2 C[SiH](C)C XJ1513 [0,0,0,0,0,0|3,1,0]=4 66 B3R0.2 C[Sn](C)=O HL2174 [0,0,0,0,0,0|3,0,1]=4 67 B3R0.2 ClC(Br)Br RT17718 [0,0,0,0,0,0|3,0,1]=4 68 B3R0.2 ClC(Br)I RT13512 [0,0,0,0,0,0|3,0,1]=4 69 B3R0.2 ClC(Cl)Br RT17719 [0,0,0,0,0,0|3,0,1]=4 70 B3R0.2 ClC(Cl)Cl XJ0068 [0,0,0,0,0,0|3,0,1]=4 71 B3R0.2 ClC(Cl)I RT13514 [0,0,0,0,0,0|3,0,1]=4 72 B3R0.2 ClC(I)I RT13516 [0,0,0,0,0,0|3,0,1]=4 73 B3R0.2 Cl[As](Cl)Cl RT17628 [0,0,0,0,0,0|4,0,0]=4 74 B3R0.2 Cl[Pt-](Cl)Cl RT18917 [0,0,0,0,0,0|4,0,0]=4 75 B3R0.2 Cl[Rh](Cl)Cl YH45390 [0,0,0,0,0,0|4,0,0]=4 76 B3R0.2 Cl[Ti](Cl)Cl YH18098 [0,0,0,0,0,0|4,0,0]=4 77 B3R0.2 FB(F)F LQ0087 [0,0,0,0,0,0|4,0,0]=4 78 B3R0.2 IC(I)I RT1156 [0,0,0,0,0,0|3,0,1]=4 79 B3R0.2 N=C(N)N LQ1088 [0,0,0,0,0,0|1,0,0]=1 80 B3R0.2 N=C(N)N LT7842 [0,0,0,0,0,0|1,0,0]=1 81 B3R0.2 N=C(N)N RT4888 [0,0,0,0,0,0|1,0,0]=1 82 B3R0.2 N=C(N)N RT4904 [0,0,0,0,0,0|1,0,0]=1 83 B3R0.2 N=C(N)N XJ6746 [0,0,0,0,0,0|1,0,0]=1 84 B3R0.2 NC(=S)[S-] HL1919 [0,0,0,0,0,0|1,1,0]=2 85 B3R0.2 NC(N)=S XJ0020 [0,0,0,0,0,0|0,1,1]=2 86 B3R0.2 N[13C](=O)N RT0355 [0,0,0,0,0,0|0,0,2]=2 87 B3R0.2 O=C([O-])[O-] JZ2955 [0,0,0,0,0,0|2,0,1]=3 88 B3R0.2 O=C([O-])[O-] JZ4994 [0,0,0,0,0,0|2,0,1]=3 89 B3R0.2 O=C([O-])[O-] LL1580 [0,0,0,0,0,0|2,0,1]=3 90 B3R0.2 O=C([O-])[O-] LQ1146 [0,0,0,0,0,0|2,0,1]=3 91 B3R0.2 O=C([O-])[O-] LQ2984 [0,0,0,0,0,0|2,0,1]=3 92 B3R0.2 O=C([O-])[O-] LQ4935 [0,0,0,0,0,0|2,0,1]=3 93 B3R0.2 O=C([O-])[O-] LQ4937 [0,0,0,0,0,0|2,0,1]=3 94 B3R0.2 O=C([O-])[O-] XJ3004 [0,0,0,0,0,0|2,0,1]=3 95 B3R0.2 O=C([O-])[O-] XJ3140 [0,0,0,0,0,0|2,0,1]=3 96 B3R0.2 O=C([O-])[O-] XJ3897 [0,0,0,0,0,0|2,0,1]=3 97 B3R0.2 O=C([O-])[O-] XJ4823 [0,0,0,0,0,0|2,0,1]=3 98 B3R0.2 O=C([O-])[O-] XJ5330 [0,0,0,0,0,0|2,0,1]=3 99 B3R0.2 O=C([O-])[O-] XJ5339 [0,0,0,0,0,0|2,0,1]=3 100 B3R0.2 O=C([O-])[O-] XJ6154 [0,0,0,0,0,0|2,0,1]=3 101 B3R0.2 O=C([O-])[O-] YH06400 [0,0,0,0,0,0|2,0,1]=3 102 B3R0.2 O=P(=O)[O-] YH14063 [0,0,0,0,0,0|3,0,1]=4 103 B3R0.2 O=[N+]([O-])[O-] RT17385 [0,0,0,0,0,0|3,0,1]=4 104 B3R0.2 O=[N+]([O-])[O-] YH20922 [0,0,0,0,0,0|3,0,1]=4 105 B3R0.2 O=[N+]([O-])[O-] YH32596 [0,0,0,0,0,0|3,0,1]=4 106 B3R0.2 O=[N+]([O-])[O-] YH42140 [0,0,0,0,0,0|3,0,1]=4 107 B3R0.2 O=[Te]([O-])[O-] RT18552 [0,0,0,0,0,0|3,0,1]=4 108 B3R0.2 O=[Zr](Cl)Cl YH18071 [0,0,0,0,0,0|3,0,1]=4 109 B3R0.2 S=C(Cl)Cl RT1087 [0,0,0,0,0,0|2,1,0]=3 110 B3R0.2 [13CH3][13C](N)=O RT4752 [0,0,0,0,0,0|1,0,1]=2 111 B2R0.1 C#C[Na] LQ1600 [1,0,0,0,0,0|2,0,1]=4 112 B2R0.1 C=C=O LQ0834 [1,0,0,0,0,0|1,0,2]=4 113 B2R0.1 C=CCl XJ3453 [1,0,0,0,0,0|2,0,0]=3 114 B2R0.1 C=CI LQ1085 [1,0,0,0,0,0|2,0,0]=3 115 B2R0.1 C=C[CH2-] XJ3675 [1,0,0,0,0,0|2,0,0]=3 116 B2R0.1 CC#N LL1068 [1,0,0,0,0,0|1,0,2]=4 117 B2R0.1 CC#N LQ3779 [1,0,0,0,0,0|1,0,2]=4 118 B2R0.1 CC=O LQ0081 [1,0,0,0,0,0|1,0,1]=3 119 B2R0.1 CCN LQ1083 [1,0,0,0,0,0|1,0,1]=3 120 B2R0.1 CCS LQ0071 [1,0,0,0,0,0|1,1,1]=4 121 B2R0.1 CC[O-] HL0532 [1,0,0,0,0,0|1,0,2]=4 122 B2R0.1 CC[O-] HL2878 [1,0,0,0,0,0|1,0,2]=4 123 B2R0.1 CC[O-] HL4901 [1,0,0,0,0,0|1,0,2]=4 124 B2R0.1 CC[O-] JZ1966 [1,0,0,0,0,0|1,0,2]=4 125 B2R0.1 CC[O-] JZ2286 [1,0,0,0,0,0|1,0,2]=4 126 B2R0.1 CC[O-] JZ4882 [1,0,0,0,0,0|1,0,2]=4 127 B2R0.1 CC[O-] XJ5943 [1,0,0,0,0,0|1,0,2]=4 128 B2R0.1 CSC JZ3723 [1,0,0,0,0,0|3,0,0]=4 129 B2R0.1 C[Hg]O LQ1729 [1,0,0,0,0,0|2,0,0]=3 130 B2R0.1 C[N-]C JZ2361 [1,0,0,0,0,0|3,0,0]=4 131 B2R0.1 C[Se]C LQ1086 [1,0,0,0,0,0|3,0,0]=4 132 B2R0.1 C[SiH2]Cl XJ1512 [1,0,0,0,0,0|2,1,0]=4 133 B2R0.1 ClCBr RT13506 [1,0,0,0,0,0|2,0,1]=4 134 B2R0.1 Cl[Pt]Cl YH20296 [1,0,0,0,0,0|3,0,0]=4 135 B2R0.1 FCI RT17533 [1,0,0,0,0,0|2,0,1]=4 136 B2R0.1 N#CBr RT17557 [1,0,0,0,0,0|1,0,2]=4 137 B2R0.1 N#C[O-] HL0078 [1,0,0,0,0,0|0,0,3]=4 138 B2R0.1 N#C[S-] HL0127 [1,0,0,0,0,0|0,1,2]=4 139 B2R0.1 N#C[S-] LQ2029 [1,0,0,0,0,0|0,1,2]=4 140 B2R0.1 N#C[S-] XJ1896 [1,0,0,0,0,0|0,1,2]=4 141 B2R0.1 NCN XJ5787 [1,0,0,0,0,0|0,0,2]=3 142 B2R0.1 O=C=O HL1493 [1,0,0,0,0,0|1,0,2]=4 143 B2R0.1 O=CO JZ5436 [1,0,0,0,0,0|1,0,0]=2 144 B2R0.1 O=C[O-] HL2500 [1,0,0,0,0,0|1,0,1]=3 145 B2R0.1 O=C[O-] LQ1036 [1,0,0,0,0,0|1,0,1]=3 146 B2R0.1 O=C[O-] LQ1425 [1,0,0,0,0,0|1,0,1]=3 147 B2R0.1 O=C[O-] LQ2986 [1,0,0,0,0,0|1,0,1]=3 148 B2R0.1 O=C[O-] XJ2402 [1,0,0,0,0,0|1,0,1]=3 149 B2R0.1 O=C[O-] XJ3084 [1,0,0,0,0,0|1,0,1]=3 150 B2R0.1 O=[15N][O-] RT1049 [1,0,0,0,0,0|2,0,1]=4 151 B2R0.1 O=[Pt]=O RT17671 [1,0,0,0,0,0|2,0,1]=4 152 B2R0.1 [18O]=N[18O-] RT1046 [1,0,0,0,0,0|2,0,1]=4 153 B2R0.1 [BH3-]C#N RT17507 [1,0,0,0,0,0|1,0,2]=4 154 B2R0.1 [N-]=[N+]=[N-] RT0489 [1,0,0,0,0,0|1,0,2]=4 155 B4R0.1 C#CC(=C)C LL0127 [0,1,0,0,0,0|3,0,0]=4 156 B4R0.1 C#CC(=O)O LQ0858 [0,1,0,0,0,0|2,0,0]=3 157 B4R0.1 C#CC(=O)[O-] RT0385 [0,1,0,0,0,0|2,0,1]=4 158 B4R0.1 C#CC(C)O JZ2135 [0,1,0,0,0,0|2,0,1]=4 159 B4R0.1 C#CC(N)=O LQ3276 [0,1,0,0,0,0|1,0,1]=3 160 B4R0.1 C#C[C@H](C)N RT3964 [0,1,0,0,0,0|2,0,1]=4 161 B4R0.1 C=C(Br)CC LQ4356 [0,1,0,0,0,0|3,0,0]=4 162 B4R0.1 C=C(C)C#N RT1064 [0,1,0,0,0,0|2,0,1]=4 163 B4R0.1 C=C(C)C=O RT1202 [0,1,0,0,0,0|2,0,1]=4 164 B4R0.1 C=C(C)CC LQ1059 [0,1,0,0,0,0|3,0,0]=4 165 B4R0.1 C=C(C)OC HL1466 [0,1,0,0,0,0|2,0,0]=3 166 B4R0.1 C=C(C)[Mg]Br JZ3721 [0,1,0,0,0,0|3,0,0]=4 167 B4R0.1 C=C(Cl)C#N HL0543 [0,1,0,0,0,0|2,0,1]=4 168 B4R0.1 C=C(N)NN LQ4301 [0,1,0,0,0,0|1,0,1]=3 169 B4R0.1 C=C=C(C)C LQ1135 [0,1,0,0,0,0|3,0,0]=4 170 B4R0.1 C=CC(=O)O LL0145 [0,1,0,0,0,0|2,0,0]=3 171 B4R0.1 C=CC(=O)O LQ4543 [0,1,0,0,0,0|2,0,0]=3 172 B4R0.1 CC(=O)CBr LQ1137 [0,1,0,0,0,0|2,0,1]=4 173 B4R0.1 CC(=O)CN LX3064 [0,1,0,0,0,0|1,0,1]=3 174 B4R0.1 CC(=O)NBr XJ0071 [0,1,0,0,0,0|1,0,1]=3 175 B4R0.1 CC(=O)NN LQ1629 [0,1,0,0,0,0|1,0,1]=3 176 B4R0.1 CC(C)NN LQ3967 [0,1,0,0,0,0|2,0,1]=4 177 B4R0.1 CC(C)NO LT5054 [0,1,0,0,0,0|2,0,1]=4 178 B4R0.1 CC(N)C#N LT6014 [0,1,0,0,0,0|1,0,2]=4 179 B4R0.1 CC(N)CN YH43801 [0,1,0,0,0,0|1,0,2]=4 180 B4R0.1 CC(N)CO JZ1400 [0,1,0,0,0,0|1,0,1]=3 181 B4R0.1 CC(O)CF YH01374 [0,1,0,0,0,0|2,0,1]=4 182 B4R0.1 CCB(O)O XJ2684 [0,1,0,0,0,0|3,0,0]=4 183 B4R0.1 CCC(=O)Cl YH19012 [0,1,0,0,0,0|2,0,1]=4 184 B4R0.1 CCC(=O)[O-] HL1636 [0,1,0,0,0,0|2,0,1]=4 185 B4R0.1 CCC(=O)[O-] LQ1030 [0,1,0,0,0,0|2,0,1]=4 186 B4R0.1 CC[C@@H](C)N JZ3698 [0,1,0,0,0,0|2,0,1]=4 187 B4R0.1 CN(C)N=O RT4837 [0,1,0,0,0,0|3,0,0]=4 188 B4R0.1 CNC(=S)[S-] LL0589 [0,1,0,0,0,0|1,1,0]=3 189 B4R0.1 CNC(=S)[S-] RT0569 [0,1,0,0,0,0|1,1,0]=3 190 B4R0.1 CNC(N)=S LQ1142 [0,1,0,0,0,0|0,1,1]=3 191 B4R0.1 COC(=N)N JZ2721 [0,1,0,0,0,0|0,0,0]=1 192 B4R0.1 COC(=O)Cl XJ0076 [0,1,0,0,0,0|2,0,0]=3 193 B4R0.1 COC(C)=N YH35544 [0,1,0,0,0,0|1,0,0]=2 194 B4R0.1 COC(C)C RT17590 [0,1,0,0,0,0|2,0,1]=4 195 B4R0.1 COC(Cl)Cl XJ2773 [0,1,0,0,0,0|2,0,1]=4 196 B4R0.1 COC(N)=O LQ1144 [0,1,0,0,0,0|1,0,0]=2 197 B4R0.1 COC(N)=[NH2+] LT5794 [0,1,0,0,0,0|0,0,1]=2 198 B4R0.1 COP(Cl)Cl XJ2430 [0,1,0,0,0,0|3,0,0]=4 199 B4R0.1 CSC(=N)N HL3579 [0,1,0,0,0,0|0,1,0]=2 200 B4R0.1 C[C@@H](N)CN YH65431 [0,1,0,0,0,0|1,0,2]=4 201 B4R0.1 C[C@@H](O)CN LT7643 [0,1,0,0,0,0|1,0,1]=3 202 B4R0.1 C[C@H](Cl)CO JZ5320 [0,1,0,0,0,0|2,0,1]=4 203 B4R0.1 C[C@H](Cl)CO XJ5311 [0,1,0,0,0,0|2,0,1]=4 204 B4R0.1 C[C@H](N)CO HL2372 [0,1,0,0,0,0|1,0,1]=3 205 B4R0.1 C[C@H](N)CO LT7580 [0,1,0,0,0,0|1,0,1]=3 206 B4R0.1 C[C@H](O)CCl JZ5302 [0,1,0,0,0,0|2,0,1]=4 207 B4R0.1 C\C=C(\C)Br JZ3724 [0,1,0,0,0,0|3,0,0]=4 208 B4R0.1 N=C(N)NN LT4835 [0,1,0,0,0,0|1,0,0]=2 209 B4R0.1 N=C(N)[NH2+]N LT4833 [0,1,0,0,0,0|1,0,0]=2 210 B4R0.1 N=C(O)CO LQ1140 [0,1,0,0,0,0|1,0,0]=2 211 B4R0.1 NC(=O)CCl RT4709 [0,1,0,0,0,0|1,0,1]=3 212 B4R0.1 NC(=O)NO RT4756 [0,1,0,0,0,0|1,0,0]=2 213 B4R0.1 NCC(=O)O JZ0518 [0,1,0,0,0,0|1,0,0]=2 214 B4R0.1 NCC(=O)O LQ3009 [0,1,0,0,0,0|1,0,0]=2 215 B4R0.1 NCC(=O)[O-] JZ1232 [0,1,0,0,0,0|1,0,1]=3 216 B4R0.1 NCC(=O)[O-] JZ1274 [0,1,0,0,0,0|1,0,1]=3 217 B4R0.1 NCC(=O)[O-] JZ1346 [0,1,0,0,0,0|1,0,1]=3 218 B4R0.1 NCC(=O)[O-] JZ1545 [0,1,0,0,0,0|1,0,1]=3 219 B4R0.1 NCC(=O)[O-] JZ1650 [0,1,0,0,0,0|1,0,1]=3 220 B4R0.1 NCC(N)=O HL0991 [0,1,0,0,0,0|0,0,2]=3 221 B4R0.1 NCC(N)=O LQ1139 [0,1,0,0,0,0|0,0,2]=3 222 B4R0.1 NN=C(N)N LQ1626 [0,1,0,0,0,0|1,0,0]=2 223 B4R0.1 NN=C(N)N LT4832 [0,1,0,0,0,0|1,0,0]=2 224 B4R0.1 NN=C(N)N XJ0073 [0,1,0,0,0,0|1,0,0]=2 225 B4R0.1 NNC(N)=O RT4773 [0,1,0,0,0,0|0,0,2]=3 226 B4R0.1 NNC(N)=S XJ0074 [0,1,0,0,0,0|0,1,1]=3 227 B4R0.1 O=C(O)CBr LL0143 [0,1,0,0,0,0|2,0,0]=3 228 B4R0.1 O=C(O)CF LT5771 [0,1,0,0,0,0|2,0,0]=3 229 B4R0.1 O=C([O-])CCl LQ2589 [0,1,0,0,0,0|2,0,1]=4 230 B4R0.1 O=C([O-])CO LQ2283 [0,1,0,0,0,0|2,0,0]=3 231 B4R0.1 O=C([O-])CO XJ5448 [0,1,0,0,0,0|2,0,0]=3 232 B4R0.1 O=C([O-])CS HL2967 [0,1,0,0,0,0|2,0,1]=4 233 B4R0.1 O=C([O-])CS LQ1436 [0,1,0,0,0,0|2,0,1]=4 234 B4R0.1 O=C([O-])CS XJ0675 [0,1,0,0,0,0|2,0,1]=4 235 B4R0.1 O=C([O-])CS XJ6033 [0,1,0,0,0,0|2,0,1]=4 236 B4R0.1 O=CC(=O)O LL0641 [0,1,0,0,0,0|2,0,0]=3 237 B4R0.1 O=CC(=O)O LQ1072 [0,1,0,0,0,0|2,0,0]=3 238 B4R0.1 ON=C(Br)Br YH65574 [0,1,0,0,0,0|2,0,0]=3 239 B4R0.1 [13CH2]=[13CH][13C](N)=O RT0492 [0,1,0,0,0,0|1,0,1]=3 240 B4R0.1 [2H]OC(C)=O XJ1316 [0,1,0,0,0,0|2,0,0]=3 241 B4R0.1 [C@@H](C)(O)CO LQ2624 [0,1,0,0,0,0|2,0,1]=4 242 B4R0.3 CC(C)(C)N LQ0109 [0,1,0,0,0,0|2,0,1]=4 243 B4R0.3 CS(N)(=O)=O YH53906 [0,1,0,0,0,0|2,0,1]=4 244 B4R0.3 C[Si](C)(O)O RT18565 [0,1,0,0,0,0|2,1,0]=4 245 B4R0.3 C[Sn](C)(C)O LQ0041 [0,1,0,0,0,0|3,0,0]=4 246 B4R0.3 NS(=O)(=O)O LT4073 [0,1,0,0,0,0|2,0,0]=3 247 B4R0.3 N[Pt](N)(Cl)Cl LT4587 [0,1,0,0,0,0|2,0,1]=4 248 B4R0.3 O=P(O)(O)O YH18504 [0,1,0,0,0,0|3,0,0]=4 249 B4R0.3 O=P([O-])(O)O LT3681 [0,1,0,0,0,0|3,0,0]=4 250 B4R0.3 O=P([O-])(O)O XJ1897 [0,1,0,0,0,0|3,0,0]=4 251 B4R0.3 O=S(=O)(O)O RT4964 [0,1,0,0,0,0|3,0,0]=4 252 B4R0.3 O=S(=O)(O)O RT4966 [0,1,0,0,0,0|3,0,0]=4 253 B4R0.3 O=S(=O)(O)O YH20408 [0,1,0,0,0,0|3,0,0]=4 254 B4R0.3 O=S(O)(O)=S YH18531 [0,1,0,0,0,0|3,0,0]=4 255 B4R1.2 CC1=CC1 LQ2353 [0,0,0,1,0,0|3,0,0]=4 256 B4R1.2 CC1CN1 RT4107 [0,0,0,1,0,0|2,0,1]=4 257 B4R1.2 C[C@H]1CO1 XJ4234 [0,0,0,1,0,0|2,0,1]=4 258 B4R1.2 [C@@H]1(C)CO1 YH36802 [0,0,0,1,0,0|2,0,1]=4 259 B1R0.1 C#[O+] LQ4581 [2,0,0,0,0,0|0,0,2]=4 260 B1R0.1 C=C LQ3489 [2,0,0,0,0,0|1,0,0]=3 261 B1R0.1 C=C XJ3674 [2,0,0,0,0,0|1,0,0]=3 262 B1R0.1 C=O LQ3496 [2,0,0,0,0,0|0,0,1]=3 263 B1R0.1 C=O XJ5274 [2,0,0,0,0,0|0,0,1]=3 264 B1R0.1 CC RT18521 [2,0,0,0,0,0|1,0,1]=4 265 B1R0.1 C[O-] JZ4928 [2,0,0,0,0,0|0,0,2]=4 266 B1R0.1 C[O-] LQ2241 [2,0,0,0,0,0|0,0,2]=4 267 B1R0.1 C[O-] XJ1374 [2,0,0,0,0,0|0,0,2]=4 268 B1R0.1 C[O-] XJ1510 [2,0,0,0,0,0|0,0,2]=4 269 B1R0.1 C[O-] XJ3898 [2,0,0,0,0,0|0,0,2]=4 270 B1R0.1 Cl[Re] JZ4861 [2,0,0,0,0,0|2,0,0]=4 271 B1R0.1 O=O XJ3353 [2,0,0,0,0,0|1,0,1]=4 272 B1R0.1 [AlH3]#P LT3685 [2,0,0,0,0,0|1,1,0]=4 273 B1R0.1 [C-2]#C XJ5562 [2,0,0,0,0,0|1,0,1]=4 274 B1R0.1 [C-]#N HL0111 [2,0,0,0,0,0|0,0,2]=4 275 B1R0.1 [C-]#N JZ4995 [2,0,0,0,0,0|0,0,2]=4 276 B1R0.1 [C-]#N JZ5157 [2,0,0,0,0,0|0,0,2]=4 277 B1R0.1 [C-]#N LQ1026 [2,0,0,0,0,0|0,0,2]=4 278 B1R0.1 [C-]#N LQ1028 [2,0,0,0,0,0|0,0,2]=4 279 B1R0.1 [C-]#N XJ2023 [2,0,0,0,0,0|0,0,2]=4 280 B1R0.1 [C-]#N XJ3974 [2,0,0,0,0,0|0,0,2]=4 281 B1R0.1 [C-]#N XJ4013 [2,0,0,0,0,0|0,0,2]=4 282 B1R0.1 [C-]#N XJ4594 [2,0,0,0,0,0|0,0,2]=4 283 B1R0.1 [C-]#N YH06419 [2,0,0,0,0,0|0,0,2]=4 284 B1R0.1 [C-]#[Cr] LT4539 [2,0,0,0,0,0|1,0,1]=4 285 B1R0.1 [C-]#[O+] JZ3492 [2,0,0,0,0,0|0,0,2]=4 286 B1R0.1 [C-]#[O+] JZ4829 [2,0,0,0,0,0|0,0,2]=4 287 B1R0.1 [C-]#[O+] JZ4857 [2,0,0,0,0,0|0,0,2]=4 288 B1R0.1 [C-]#[O+] JZ5201 [2,0,0,0,0,0|0,0,2]=4 289 B1R0.1 [C-]#[O+] LQ3701 [2,0,0,0,0,0|0,0,2]=4 290 B1R0.1 [C-]#[O+] LQ3892 [2,0,0,0,0,0|0,0,2]=4 291 B1R0.1 [C-]#[O+] XJ3546 [2,0,0,0,0,0|0,0,2]=4 292 B1R0.1 [C-]#[O+] XJ4059 [2,0,0,0,0,0|0,0,2]=4 293 B1R0.1 [CH-]=O LQ4060 [2,0,0,0,0,0|0,0,2]=4 294 B3R0.1 C#CC=O YH10644 [1,1,0,0,0,0|1,0,1]=4 295 B3R0.1 C#CCN RT16379 [1,1,0,0,0,0|1,0,1]=4 296 B3R0.1 C#CCN XJ2196 [1,1,0,0,0,0|1,0,1]=4 297 B3R0.1 C=C=CC HL0077 [1,1,0,0,0,0|2,0,0]=4 298 B3R0.1 C=CC=C HL1335 [1,1,0,0,0,0|2,0,0]=4 299 B3R0.1 C=CC=C XJ3466 [1,1,0,0,0,0|2,0,0]=4 300 B3R0.1 C=CC=O RT0993 [1,1,0,0,0,0|1,0,1]=4 301 B3R0.1 C=CCBr RT17399 [1,1,0,0,0,0|2,0,0]=4 302 B3R0.1 C=CCC HL1334 [1,1,0,0,0,0|2,0,0]=4 303 B3R0.1 C=CCI LQ1006 [1,1,0,0,0,0|2,0,0]=4 304 B3R0.1 C=CCN XJ6235 [1,1,0,0,0,0|1,0,0]=3 305 B3R0.1 C=CCO LT3384 [1,1,0,0,0,0|1,0,0]=3 306 B3R0.1 C=CCS LT3385 [1,1,0,0,0,0|1,1,0]=4 307 B3R0.1 C=C[Mg]Cl JZ2315 [1,1,0,0,0,0|2,0,0]=4 308 B3R0.1 CCC=S LT2311 [1,1,0,0,0,0|1,1,0]=4 309 B3R0.1 CCON LT7287 [1,1,0,0,0,0|1,0,1]=4 310 B3R0.1 CN=C=O XJ1176 [1,1,0,0,0,0|0,0,2]=4 311 B3R0.1 CNOC LT1363 [1,1,0,0,0,0|2,0,0]=4 312 B3R0.1 COCCl RT17912 [1,1,0,0,0,0|1,0,1]=4 313 B3R0.1 C\C=N\O LT3638 [1,1,0,0,0,0|1,0,0]=3 314 B3R0.1 Cl\C=C\Cl LQ0647 [1,1,0,0,0,0|2,0,0]=4 315 B3R0.1 N#CCN JZ2807 [1,1,0,0,0,0|0,0,2]=4 316 B3R0.1 N#CCN YH65552 [1,1,0,0,0,0|0,0,2]=4 317 B3R0.1 NCCCl XJ1403 [1,1,0,0,0,0|1,0,1]=4 318 B3R0.1 NCCN JZ1006 [1,1,0,0,0,0|0,0,2]=4 319 B3R0.1 NCCN JZ4960 [1,1,0,0,0,0|0,0,2]=4 320 B3R0.1 NCCN LT5412 [1,1,0,0,0,0|0,0,2]=4 321 B3R0.1 NCCN LT7506 [1,1,0,0,0,0|0,0,2]=4 322 B3R0.1 NCCN XJ4257 [1,1,0,0,0,0|0,0,2]=4 323 B3R0.1 NCCO XJ0576 [1,1,0,0,0,0|0,0,1]=3 324 B3R0.1 NCCS LL0054 [1,1,0,0,0,0|0,1,1]=4 325 B3R0.1 NCCS LQ0646 [1,1,0,0,0,0|0,1,1]=4 326 B3R0.1 NNC=O XJ1177 [1,1,0,0,0,0|0,0,1]=3 327 B3R0.1 OCCBr XJ0924 [1,1,0,0,0,0|1,0,1]=4 328 B3R0.1 OCCO LT7654 [1,1,0,0,0,0|1,0,1]=4 329 B3R0.1 [2H]OCC RT1050 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.1 C(Cl)CC(=O)O CJ2142 [0,2,0,0,0,0|2,0,0]=4 331 B5R0.1 C=C(C)OCC LT1730 [0,2,0,0,0,0|2,0,0]=4 332 B5R0.1 C=CCC(N)=O RT17513 [0,2,0,0,0,0|1,0,1]=4 333 B5R0.1 C=COC(C)=O LQ0375 [0,2,0,0,0,0|2,0,0]=4 334 B5R0.1 C=COC(C)=O LQ4456 [0,2,0,0,0,0|2,0,0]=4 335 B5R0.1 C=COC(C)=O XJ3468 [0,2,0,0,0,0|2,0,0]=4 336 B5R0.1 C=COC(N)=O RT4835 [0,2,0,0,0,0|1,0,0]=3 337 B5R0.1 CC(=O)\C=N\O LT6064 [0,2,0,0,0,0|1,0,1]=4 338 B5R0.1 CC(C)=CCN YH33589 [0,2,0,0,0,0|2,0,0]=4 339 B5R0.1 CC(C)=CCO LT3091 [0,2,0,0,0,0|2,0,0]=4 340 B5R0.1 CCCC(N)=O XJ0937 [0,2,0,0,0,0|1,0,1]=4 341 B5R0.1 CCCC(N)=[NH2+] LX2780 [0,2,0,0,0,0|1,0,1]=4 342 B5R0.1 CCNC(C)=O XJ1192 [0,2,0,0,0,0|1,0,1]=4 343 B5R0.1 CCNC(N)=O XJ1194 [0,2,0,0,0,0|0,0,2]=4 344 B5R0.1 CCNC(N)=O XJ3539 [0,2,0,0,0,0|0,0,2]=4 345 B5R0.1 CCNC(N)=S XJ1195 [0,2,0,0,0,0|0,1,1]=4 346 B5R0.1 CCOC(=O)Cl XJ0938 [0,2,0,0,0,0|2,0,0]=4 347 B5R0.1 CCOC(=O)O XJ1147 [0,2,0,0,0,0|2,0,0]=4 348 B5R0.1 CCOC(=S)[S-] XJ0564 [0,2,0,0,0,0|2,0,0]=4 349 B5R0.1 CCOC(N)=O RT0197 [0,2,0,0,0,0|1,0,0]=3 350 B5R0.1 CCSC(=N)N RT19776 [0,2,0,0,0,0|0,1,0]=3 351 B5R0.1 CC[NH2+]C(=N)N LQ2498 [0,2,0,0,0,0|1,0,0]=3 352 B5R0.1 CNCC(=O)O JZ4055 [0,2,0,0,0,0|1,0,0]=3 353 B5R0.1 CNCC(=O)O RT0428 [0,2,0,0,0,0|1,0,0]=3 354 B5R0.1 CNCC(=O)[O-] JZ1762 [0,2,0,0,0,0|1,0,1]=4 355 B5R0.1 COCC(C)=O LT7464 [0,2,0,0,0,0|2,0,0]=4 356 B5R0.1 COCC(C)N XJ5266 [0,2,0,0,0,0|1,0,1]=4 357 B5R0.1 COC[C@H](C)N XJ6713 [0,2,0,0,0,0|1,0,1]=4 358 B5R0.1 CSCC(=N)N YH65419 [0,2,0,0,0,0|0,1,0]=3 359 B5R0.1 CSCC(=O)O XJ2185 [0,2,0,0,0,0|2,0,0]=4 360 B5R0.1 C[C@@H](N)CCO RT0497 [0,2,0,0,0,0|1,0,1]=4 361 B5R0.1 C\C(Cl)=C\CO RT17544 [0,2,0,0,0,0|2,0,0]=4 362 B5R0.1 C\C(I)=C/CO RT17534 [0,2,0,0,0,0|2,0,0]=4 363 B5R0.1 C\C(N)=C\C#N XJ1575 [0,2,0,0,0,0|1,0,1]=4 364 B5R0.1 C\C=C\C(=O)O HL1378 [0,2,0,0,0,0|2,0,0]=4 365 B5R0.1 C\C=C\C(N)=O RT17596 [0,2,0,0,0,0|1,0,1]=4 366 B5R0.1 N#CN=C([S-])[S-] RT19788 [0,2,0,0,0,0|1,1,0]=4 367 B5R0.1 N#CNC(=N)Cl RT15806 [0,2,0,0,0,0|1,0,0]=3 368 B5R0.1 N#CNC(=N)N SY0236 [0,2,0,0,0,0|1,0,0]=3 369 B5R0.1 NC(=O)CCO RT17509 [0,2,0,0,0,0|1,0,0]=3 370 B5R0.1 NC(=O)NC=O JZ4445 [0,2,0,0,0,0|0,0,2]=4 371 B5R0.1 NC(=O)NCO HL0559 [0,2,0,0,0,0|1,0,0]=3 372 B5R0.1 NCCC(=O)O JZ0318 [0,2,0,0,0,0|1,0,0]=3 373 B5R0.1 NOCC(=O)O RT0527 [0,2,0,0,0,0|1,0,0]=3 374 B5R0.1 O=C(Cl)OCCl JZ5514 [0,2,0,0,0,0|2,0,0]=4 375 B5R0.1 O=C(O)CCBr HL0088 [0,2,0,0,0,0|2,0,0]=4 376 B5R0.1 O=C(O)CCS SY0092 [0,2,0,0,0,0|2,0,0]=4 377 B5R0.1 O=C([O-])CCO RT1268 [0,2,0,0,0,0|2,0,0]=4 378 B5R0.3 C#CC(=O)OC LT7442 [0,2,0,0,0,0|2,0,0]=4 379 B5R0.3 C=CC(=O)OC SY0292 [0,2,0,0,0,0|2,0,0]=4 380 B5R0.3 C=C[C@@H](N)CO YH53874 [0,2,0,0,0,0|1,0,1]=4 381 B5R0.3 C=C[C@H](N)CO LX2169 [0,2,0,0,0,0|1,0,1]=4 382 B5R0.3 CCC(=O)NC JZ4434 [0,2,0,0,0,0|1,0,1]=4 383 B5R0.3 CCC(N)CO LL0227 [0,2,0,0,0,0|1,0,1]=4 384 B5R0.3 CC\C(C)=N\O LL0233 [0,2,0,0,0,0|2,0,0]=4 385 B5R0.3 COC(=O)C=O LQ1491 [0,2,0,0,0,0|2,0,0]=4 386 B5R0.3 COC(=O)CN RT5049 [0,2,0,0,0,0|1,0,0]=3 387 B5R0.3 COC(=O)OC LQ1189 [0,2,0,0,0,0|2,0,0]=4 388 B5R0.3 CS\C(C)=N/O RT1099 [0,2,0,0,0,0|1,1,0]=4 389 B5R0.3 C\C(=C/Br)CO RT0550 [0,2,0,0,0,0|2,0,0]=4 390 B5R0.3 N=C(NN)NN LQ4902 [0,2,0,0,0,0|1,0,0]=3 391 B5R0.3 NC(CO)CO LL1303 [0,2,0,0,0,0|1,0,1]=4 392 B5R0.3 NCC(O)CN LQ1188 [0,2,0,0,0,0|0,0,2]=4 393 B5R0.3 NCC(O)CO JZ0486 [0,2,0,0,0,0|1,0,1]=4 394 B5R0.3 NC[C@H](O)CO YH09994 [0,2,0,0,0,0|1,0,1]=4 395 B5R0.3 NC[C@H](O)CO YH45696 [0,2,0,0,0,0|1,0,1]=4 396 B5R0.3 NNC(=S)NN XJ2086 [0,2,0,0,0,0|0,1,1]=4 397 B5R0.3 O=C(CO)CO LL1029 [0,2,0,0,0,0|2,0,0]=4 398 B5R0.4 CC(C)(N)CO LT0229 [0,2,0,0,0,0|1,0,1]=4 399 B5R0.4 NCP(=O)(O)O LQ1609 [0,2,0,0,0,0|2,0,0]=4 400 B5R0.4 NCS(=O)(=O)O SY0138 [0,2,0,0,0,0|2,0,0]=4 401 B5R0.5 C=C(Br)C(=O)O LQ3418 [0,2,0,0,0,0|2,0,0]=4 402 B5R0.5 C=C(C)C(=O)O XJ0087 [0,2,0,0,0,0|2,0,0]=4 403 B5R0.5 C=C(F)C(=O)O YH01395 [0,2,0,0,0,0|2,0,0]=4 404 B5R0.5 CC(=O)N(C)C LT7398 [0,2,0,0,0,0|1,0,1]=4 405 B5R0.5 CC(=S)N(C)C LQ1296 [0,2,0,0,0,0|1,1,0]=4 406 B5R0.5 CC(Br)C(=O)O LQ1147 [0,2,0,0,0,0|2,0,0]=4 407 B5R0.5 CC(C)C(N)=O LQ1071 [0,2,0,0,0,0|1,0,1]=4 408 B5R0.5 CC(O)C(=O)[O-] HL1943 [0,2,0,0,0,0|2,0,0]=4 409 B5R0.5 CC(O)C(=O)[O-] LT7892 [0,2,0,0,0,0|2,0,0]=4 410 B5R0.5 CC(O)C(=O)[O-] XJ1528 [0,2,0,0,0,0|2,0,0]=4 411 B5R0.5 CN(C)C(=O)Cl LT7881 [0,2,0,0,0,0|1,0,1]=4 412 B5R0.5 CN(C)C(=S)Cl LT7773 [0,2,0,0,0,0|1,1,0]=4 413 B5R0.5 CN(C)C(=S)[S-] LQ0527 [0,2,0,0,0,0|1,1,0]=4 414 B5R0.5 CN(C)C(=S)[S-] LQ3837 [0,2,0,0,0,0|1,1,0]=4 415 B5R0.5 CN(N)C(N)=S JZ3053 [0,2,0,0,0,0|0,1,1]=4 416 B5R0.5 CN(O)C(N)=O RT18824 [0,2,0,0,0,0|1,0,0]=3 417 B5R0.5 C[C@@H](Cl)C(=O)O XJ3332 [0,2,0,0,0,0|2,0,0]=4 418 B5R0.5 C[C@H](N)C(=O)O JZ0471 [0,2,0,0,0,0|1,0,0]=3 419 B5R0.5 C[C@H](N)C(N)=O LQ3255 [0,2,0,0,0,0|0,0,2]=4 420 B5R0.5 C[C@H](N)C(N)=O RT5023 [0,2,0,0,0,0|0,0,2]=4 421 B5R0.5 C[C@H](O)C(=O)O XJ1388 [0,2,0,0,0,0|2,0,0]=4 422 B5R0.5 C[C@H](O)C(=O)[O-] HL4794 [0,2,0,0,0,0|2,0,0]=4 423 B5R0.5 NC(=O)C(=O)[O-] LL0996 [0,2,0,0,0,0|1,0,1]=4 424 B5R0.5 NC(=O)C(N)=O LQ0860 [0,2,0,0,0,0|0,0,2]=4 425 B5R0.5 NC(N)=S(=O)=O JZ0030 [0,2,0,0,0,0|0,0,2]=4 426 B5R0.5 O=C(O)C(=O)O HL1923 [0,2,0,0,0,0|2,0,0]=4 427 B5R0.5 O=C(O)C(=O)O RT0368 [0,2,0,0,0,0|2,0,0]=4 428 B5R0.5 O=C(O)C(Br)I RT0702 [0,2,0,0,0,0|2,0,0]=4 429 B5R0.5 O=C(O)C(Cl)Br JZ2788 [0,2,0,0,0,0|2,0,0]=4 430 B5R0.5 O=C(O)C(Cl)Cl LT7767 [0,2,0,0,0,0|2,0,0]=4 431 B5R0.5 O=C(O)C(Cl)I RT0646 [0,2,0,0,0,0|2,0,0]=4 432 B5R0.5 O=C(O)C(I)I RT0771 [0,2,0,0,0,0|2,0,0]=4 433 B5R0.5 O=C([O-])C(=O)O LQ0525 [0,2,0,0,0,0|2,0,0]=4 434 B5R0.5 [2H]C(=O)N(C)C JZ2134 [0,2,0,0,0,0|1,0,1]=4 435 B5R1.2 NC1COC1 LQ4263 [0,1,0,1,0,0|1,0,1]=4 436 B5R1.2 NC1COC1 YH65543 [0,1,0,1,0,0|1,0,1]=4 437 B5R1.2 O=C1CNC1 LQ4009 [0,1,0,1,0,0|1,0,1]=4 438 B5R1.2 O=C1COC1 LQ3137 [0,1,0,1,0,0|2,0,0]=4 439 B5R1.2 OC1CNC1 LQ5145 [0,1,0,1,0,0|1,0,1]=4 440 B5R1.2 OC1CNC1 LX2402 [0,1,0,1,0,0|1,0,1]=4