0 B4R0.1 C#CC(=O)O LQ0858 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C#CC(=O)[O-] RT0385 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C#CC(N)=O LQ3276 [0,0,0,0,0,0|4,0,0]=4 3 B4R0.1 C(=O)N(C)C YH13617 [0,0,0,0,0,0|3,1,0]=4 4 B4R0.1 C=C(C)C=O RT1202 [0,0,0,0,0,0|4,0,0]=4 5 B4R0.1 C=CC(=O)O LL0145 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.1 C=CC(=O)O LQ4543 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C=C[N+](=O)[O-] XJ2515 [0,0,0,0,0,0|2,1,1]=4 8 B4R0.1 CC(=O)CBr LQ1137 [0,0,0,0,0,0|4,0,0]=4 9 B4R0.1 CC(=O)CN LX3064 [0,0,0,0,0,0|4,0,0]=4 10 B4R0.1 CC(=O)NBr XJ0071 [0,0,0,0,0,0|3,1,0]=4 11 B4R0.1 CC(=O)NN LQ1629 [0,0,0,0,0,0|3,1,0]=4 12 B4R0.1 CCC(=O)Cl YH19012 [0,0,0,0,0,0|4,0,0]=4 13 B4R0.1 CCC(=O)[O-] HL1636 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 CCC(=O)[O-] LQ1030 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 CN(C)N=O RT4837 [0,0,0,0,0,0|2,2,0]=4 16 B4R0.1 COC(=O)Cl XJ0076 [0,0,0,0,0,0|4,0,0]=4 17 B4R0.1 COC(N)=O LQ1144 [0,0,0,0,0,0|4,0,0]=4 18 B4R0.1 NC(=O)CCl RT4709 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 NC(=O)NO RT4756 [0,0,0,0,0,0|2,1,1]=4 20 B4R0.1 NCC(=O)O JZ0518 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 NCC(=O)O LQ3009 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 NCC(=O)[O-] JZ1232 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 NCC(=O)[O-] JZ1274 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 NCC(=O)[O-] JZ1346 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 NCC(=O)[O-] JZ1545 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 NCC(=O)[O-] JZ1650 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 NCC(N)=O HL0991 [0,0,0,0,0,0|4,0,0]=4 28 B4R0.1 NCC(N)=O LQ1139 [0,0,0,0,0,0|4,0,0]=4 29 B4R0.1 NNC(N)=O RT4773 [0,0,0,0,0,0|3,1,0]=4 30 B4R0.1 O=C(O)CBr LL0143 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 O=C(O)CF LT5771 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 O=C([O-])CCl LQ2589 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 O=C([O-])CO LQ2283 [0,0,0,0,0,0|2,0,2]=4 34 B4R0.1 O=C([O-])CO XJ5448 [0,0,0,0,0,0|2,0,2]=4 35 B4R0.1 O=C([O-])CS HL2967 [0,0,0,0,0,0|2,1,1]=4 36 B4R0.1 O=C([O-])CS LQ1436 [0,0,0,0,0,0|2,1,1]=4 37 B4R0.1 O=C([O-])CS XJ0675 [0,0,0,0,0,0|2,1,1]=4 38 B4R0.1 O=C([O-])CS XJ6033 [0,0,0,0,0,0|2,1,1]=4 39 B4R0.1 O=CC(=O)O LL0641 [0,0,0,0,0,0|2,0,1]=3 40 B4R0.1 O=CC(=O)O LQ1072 [0,0,0,0,0,0|2,0,1]=3 41 B4R0.1 O=CC(Cl)Br RT17654 [0,0,0,0,0,0|4,0,0]=4 42 B4R0.1 O=CC(Cl)Cl RT1083 [0,0,0,0,0,0|4,0,0]=4 43 B4R0.1 O=[N+]([O-])CBr LQ1065 [0,0,0,0,0,0|2,1,1]=4 44 B4R0.1 O=[N+]([O-])CCl RT1188 [0,0,0,0,0,0|2,1,1]=4 45 B4R0.1 [13CH2]=[13CH][13C](N)=O RT0492 [0,0,0,0,0,0|4,0,0]=4 46 B4R0.1 [2H]OC(C)=O XJ1316 [0,0,0,0,0,0|4,0,0]=4 47 B3R0.1 C#CC=O YH10644 [1,0,0,0,0,0|3,0,0]=4 48 B3R0.1 C=CC=O RT0993 [1,0,0,0,0,0|3,0,0]=4 49 B3R0.1 CN=C=O XJ1176 [1,0,0,0,0,0|2,1,0]=4 50 B3R0.1 NNC=O XJ1177 [1,0,0,0,0,0|2,1,0]=4 51 B3R0.2 CC(=O)F LQ1042 [1,0,0,0,0,0|3,0,0]=4 52 B3R0.2 CC(=O)O JZ3704 [1,0,0,0,0,0|2,0,1]=4 53 B3R0.2 CC(=O)O XJ0034 [1,0,0,0,0,0|2,0,1]=4 54 B3R0.2 CC(=O)[O-] HL0535 [1,0,0,0,0,0|2,0,1]=4 55 B3R0.2 CC(=O)[O-] HL1089 [1,0,0,0,0,0|2,0,1]=4 56 B3R0.2 CC(=O)[O-] HL1536 [1,0,0,0,0,0|2,0,1]=4 57 B3R0.2 CC(=O)[O-] HL1556 [1,0,0,0,0,0|2,0,1]=4 58 B3R0.2 CC(=O)[O-] HL1980 [1,0,0,0,0,0|2,0,1]=4 59 B3R0.2 CC(=O)[O-] JZ2733 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.2 CC(=O)[O-] JZ3035 [1,0,0,0,0,0|2,0,1]=4 61 B3R0.2 CC(=O)[O-] JZ4063 [1,0,0,0,0,0|2,0,1]=4 62 B3R0.2 CC(=O)[O-] JZ4064 [1,0,0,0,0,0|2,0,1]=4 63 B3R0.2 CC(=O)[O-] JZ5083 [1,0,0,0,0,0|2,0,1]=4 64 B3R0.2 CC(=O)[O-] JZ5622 [1,0,0,0,0,0|2,0,1]=4 65 B3R0.2 CC(=O)[O-] LL2757 [1,0,0,0,0,0|2,0,1]=4 66 B3R0.2 CC(=O)[O-] LQ1063 [1,0,0,0,0,0|2,0,1]=4 67 B3R0.2 CC(=O)[O-] LQ1064 [1,0,0,0,0,0|2,0,1]=4 68 B3R0.2 CC(=O)[O-] LQ1143 [1,0,0,0,0,0|2,0,1]=4 69 B3R0.2 CC(=O)[O-] LQ1294 [1,0,0,0,0,0|2,0,1]=4 70 B3R0.2 CC(=O)[O-] LQ1601 [1,0,0,0,0,0|2,0,1]=4 71 B3R0.2 CC(=O)[O-] LQ2985 [1,0,0,0,0,0|2,0,1]=4 72 B3R0.2 CC(=O)[O-] LQ3945 [1,0,0,0,0,0|2,0,1]=4 73 B3R0.2 CC(=O)[O-] LQ4020 [1,0,0,0,0,0|2,0,1]=4 74 B3R0.2 CC(=O)[O-] LQ5168 [1,0,0,0,0,0|2,0,1]=4 75 B3R0.2 CC(=O)[O-] LT7507 [1,0,0,0,0,0|2,0,1]=4 76 B3R0.2 CC(=O)[O-] LT7843 [1,0,0,0,0,0|2,0,1]=4 77 B3R0.2 CC(=O)[O-] XJ0536 [1,0,0,0,0,0|2,0,1]=4 78 B3R0.2 CC(=O)[O-] XJ0713 [1,0,0,0,0,0|2,0,1]=4 79 B3R0.2 CC(=O)[O-] XJ0970 [1,0,0,0,0,0|2,0,1]=4 80 B3R0.2 CC(=O)[O-] XJ2980 [1,0,0,0,0,0|2,0,1]=4 81 B3R0.2 CC(=O)[O-] YH65813 [1,0,0,0,0,0|2,0,1]=4 82 B3R0.2 CS(C)=O XJ0069 [1,0,0,0,0,0|3,0,0]=4 83 B3R0.2 C[Sn](C)=O HL2174 [1,0,0,0,0,0|3,0,0]=4 84 B3R0.2 N[13C](=O)N RT0355 [1,0,0,0,0,0|2,1,0]=4 85 B3R0.2 O=C([O-])[O-] JZ2955 [1,0,0,0,0,0|1,0,2]=4 86 B3R0.2 O=C([O-])[O-] JZ4994 [1,0,0,0,0,0|1,0,2]=4 87 B3R0.2 O=C([O-])[O-] LL1580 [1,0,0,0,0,0|1,0,2]=4 88 B3R0.2 O=C([O-])[O-] LQ1146 [1,0,0,0,0,0|1,0,2]=4 89 B3R0.2 O=C([O-])[O-] LQ2984 [1,0,0,0,0,0|1,0,2]=4 90 B3R0.2 O=C([O-])[O-] LQ4935 [1,0,0,0,0,0|1,0,2]=4 91 B3R0.2 O=C([O-])[O-] LQ4937 [1,0,0,0,0,0|1,0,2]=4 92 B3R0.2 O=C([O-])[O-] XJ3004 [1,0,0,0,0,0|1,0,2]=4 93 B3R0.2 O=C([O-])[O-] XJ3140 [1,0,0,0,0,0|1,0,2]=4 94 B3R0.2 O=C([O-])[O-] XJ3897 [1,0,0,0,0,0|1,0,2]=4 95 B3R0.2 O=C([O-])[O-] XJ4823 [1,0,0,0,0,0|1,0,2]=4 96 B3R0.2 O=C([O-])[O-] XJ5330 [1,0,0,0,0,0|1,0,2]=4 97 B3R0.2 O=C([O-])[O-] XJ5339 [1,0,0,0,0,0|1,0,2]=4 98 B3R0.2 O=C([O-])[O-] XJ6154 [1,0,0,0,0,0|1,0,2]=4 99 B3R0.2 O=C([O-])[O-] YH06400 [1,0,0,0,0,0|1,0,2]=4 100 B3R0.2 O=P(=O)[O-] YH14063 [1,0,0,0,0,0|0,1,1]=3 101 B3R0.2 O=[N+]([O-])[O-] RT17385 [1,0,0,0,0,0|0,1,2]=4 102 B3R0.2 O=[N+]([O-])[O-] YH20922 [1,0,0,0,0,0|0,1,2]=4 103 B3R0.2 O=[N+]([O-])[O-] YH32596 [1,0,0,0,0,0|0,1,2]=4 104 B3R0.2 O=[N+]([O-])[O-] YH42140 [1,0,0,0,0,0|0,1,2]=4 105 B3R0.2 O=[Te]([O-])[O-] RT18552 [1,0,0,0,0,0|1,0,2]=4 106 B3R0.2 O=[Zr](Cl)Cl YH18071 [1,0,0,0,0,0|3,0,0]=4 107 B3R0.2 [13CH3][13C](N)=O RT4752 [1,0,0,0,0,0|2,1,0]=4 108 B5R0.1 CC(=O)CC=O XJ1186 [0,1,0,0,0,0|3,0,0]=4 109 B5R0.1 NC(=O)NC=O JZ4445 [0,1,0,0,0,0|2,1,0]=4 110 B5R0.3 COC(=O)C=O LQ1491 [0,1,0,0,0,0|2,0,1]=4 111 B5R0.3 O=CC(O)C=O RT17553 [0,1,0,0,0,0|2,0,1]=4 112 B5R0.4 C=C[S-](=O)(=O)=O HL2423 [0,1,0,0,0,0|3,0,0]=4 113 B5R0.4 CCS(=O)(=O)O LQ1100 [0,1,0,0,0,0|3,0,0]=4 114 B5R0.4 CCS(=O)(=O)[O-] JZ2711 [0,1,0,0,0,0|3,0,0]=4 115 B5R0.4 CCS(C)(=O)=O LQ1098 [0,1,0,0,0,0|3,0,0]=4 116 B5R0.4 CCS(N)(=O)=O LQ1828 [0,1,0,0,0,0|3,0,0]=4 117 B5R0.4 CNS(=O)(=O)Cl YH22586 [0,1,0,0,0,0|2,1,0]=4 118 B5R0.4 CNS(C)(=O)=O JZ4425 [0,1,0,0,0,0|2,1,0]=4 119 B5R0.4 CS(=O)(=O)C#N RT1363 [0,1,0,0,0,0|3,0,0]=4 120 B5R0.4 CS(=O)(=O)O[Ag] JZ1955 [0,1,0,0,0,0|3,0,0]=4 121 B5R0.4 NCS(=O)(=O)O SY0138 [0,1,0,0,0,0|3,0,0]=4 122 B5R0.5 CC(=O)C(=O)[O-] JZ2145 [0,1,0,0,0,0|2,0,1]=4 123 B5R0.5 CC(=O)C(=O)[O-] LQ4156 [0,1,0,0,0,0|2,0,1]=4 124 B5R0.5 CC(=O)C(=O)[O-] RT0509 [0,1,0,0,0,0|2,0,1]=4 125 B5R0.5 CC(=O)C(C)=O RT1203 [0,1,0,0,0,0|3,0,0]=4 126 B5R0.5 CC(C)N(=O)=O XJ0090 [0,1,0,0,0,0|2,1,0]=4 127 B5R0.5 NC(=O)C(=O)[O-] LL0996 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.5 NC(=O)C(N)=O LQ0860 [0,1,0,0,0,0|3,0,0]=4 129 B5R0.5 NC(N)=S(=O)=O JZ0030 [0,1,0,0,0,0|3,0,0]=4 130 B5R0.5 O=C(Cl)C(=O)Cl LT7271 [0,1,0,0,0,0|3,0,0]=4 131 B5R0.5 O=C(O)C(=O)O HL1923 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.5 O=C(O)C(=O)O RT0368 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.5 O=C([O-])C(=O)O LQ0525 [0,1,0,0,0,0|2,0,1]=4 134 B5R0.5 O=C([O-])C(=O)[O-] HL1988 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.5 O=C([O-])C(=O)[O-] HL1989 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.5 O=C([O-])C(=O)[O-] HL3013 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.5 O=C([O-])C(=O)[O-] JZ2184 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.5 O=C([O-])C(=O)[O-] JZ2815 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.5 O=C([O-])C(=O)[O-] JZ2832 [0,1,0,0,0,0|2,0,1]=4 140 B5R0.5 O=C([O-])C(=O)[O-] JZ2876 [0,1,0,0,0,0|2,0,1]=4 141 B5R0.5 O=C([O-])C(=O)[O-] JZ3710 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.5 O=C([O-])C(=O)[O-] JZ4074 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.5 O=C([O-])C(=O)[O-] LQ1067 [0,1,0,0,0,0|2,0,1]=4 144 B5R0.5 O=C([O-])C(=O)[O-] LQ1440 [0,1,0,0,0,0|2,0,1]=4 145 B5R0.5 O=C([O-])C(=O)[O-] LQ1441 [0,1,0,0,0,0|2,0,1]=4 146 B5R0.5 O=C([O-])C(=O)[O-] LQ1442 [0,1,0,0,0,0|2,0,1]=4 147 B5R0.5 O=C([O-])C(=O)[O-] LQ1443 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.5 O=C([O-])C(=O)[O-] LQ1444 [0,1,0,0,0,0|2,0,1]=4 149 B5R0.5 O=C([O-])C(=O)[O-] LQ1445 [0,1,0,0,0,0|2,0,1]=4 150 B5R0.5 O=C([O-])C(=O)[O-] LQ2603 [0,1,0,0,0,0|2,0,1]=4 151 B5R0.5 O=C([O-])C(=O)[O-] LQ2980 [0,1,0,0,0,0|2,0,1]=4 152 B5R0.5 O=C([O-])C(=O)[O-] LQ3018 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.5 O=C([O-])C(=O)[O-] LQ5508 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.5 O=C([O-])C(=O)[O-] LT4010 [0,1,0,0,0,0|2,0,1]=4 155 B5R0.5 O=C([O-])C(=O)[O-] XJ1559 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.5 O=C([O-])C(=O)[O-] XJ4019 [0,1,0,0,0,0|2,0,1]=4 157 B2R0.1 C=C=O LQ0834 [2,0,0,0,0,0|2,0,0]=4 158 B2R0.1 CC=O LQ0081 [2,0,0,0,0,0|2,0,0]=4 159 B2R0.1 O=C=O HL1493 [2,0,0,0,0,0|1,0,0]=3 160 B2R0.1 O=CO JZ5436 [2,0,0,0,0,0|1,0,1]=4 161 B2R0.1 O=C[O-] HL2500 [2,0,0,0,0,0|1,0,1]=4 162 B2R0.1 O=C[O-] LQ1036 [2,0,0,0,0,0|1,0,1]=4 163 B2R0.1 O=C[O-] LQ1425 [2,0,0,0,0,0|1,0,1]=4 164 B2R0.1 O=C[O-] LQ2986 [2,0,0,0,0,0|1,0,1]=4 165 B2R0.1 O=C[O-] XJ2402 [2,0,0,0,0,0|1,0,1]=4 166 B2R0.1 O=C[O-] XJ3084 [2,0,0,0,0,0|1,0,1]=4 167 B2R0.1 O=[15N][O-] RT1049 [2,0,0,0,0,0|0,1,1]=4 168 B2R0.1 O=[Pt]=O RT17671 [2,0,0,0,0,0|1,0,0]=3 169 B2R0.1 [18O]=N[18O-] RT1046 [2,0,0,0,0,0|0,1,1]=4 170 B4R0.2 O=C[N-]C=O YH41619 [1,1,0,0,0,0|1,1,0]=4 171 B4R0.3 CS(=O)(=O)Cl RT17773 [1,1,0,0,0,0|2,0,0]=4 172 B4R0.3 CS(=O)(=O)F CJ2463 [1,1,0,0,0,0|2,0,0]=4 173 B4R0.3 CS(=O)(=O)[O-] LL1481 [1,1,0,0,0,0|1,0,1]=4 174 B4R0.3 CS(N)(=O)=O YH53906 [1,1,0,0,0,0|1,1,0]=4 175 B4R0.3 NS(=O)(=O)O LT4073 [1,1,0,0,0,0|1,0,1]=4 176 B4R0.3 O=Cl(=O)(=O)[O-] LQ3653 [1,1,0,0,0,0|1,0,0]=3 177 B4R0.3 O=Cl(=O)(=O)[O-] YH18543 [1,1,0,0,0,0|1,0,0]=3 178 B4R0.3 O=S(=O)(O)O RT4964 [1,1,0,0,0,0|1,0,1]=4 179 B4R0.3 O=S(=O)(O)O RT4966 [1,1,0,0,0,0|1,0,1]=4 180 B4R0.3 O=S(=O)(O)O YH20408 [1,1,0,0,0,0|1,0,1]=4 181 B4R0.3 O=S(=O)([O-])[O-] LT3692 [1,1,0,0,0,0|1,0,1]=4 182 B4R0.3 O=S(=O)([O-])[O-] XJ5219 [1,1,0,0,0,0|1,0,1]=4 183 B4R0.3 O=[Os](=O)([O-])[O-] YH20274 [1,1,0,0,0,0|1,0,1]=4 184 B4R0.3 O=[Te](=O)([O-])[O-] RT0900 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.2 O=P(=O)OP(=O)=O XJ5336 [0,2,0,0,0,0|0,2,0]=4 186 B6R0.5 O=C=NS(=O)(=O)Cl RT19697 [0,2,0,0,0,0|1,1,0]=4 187 B6R0.5 O=NOS(=O)(=O)O YH18527 [0,2,0,0,0,0|1,1,0]=4 188 B6R0.7 O=C([O-])C(=O)(=O)[O-] YH17982 [0,2,0,0,0,0|2,0,0]=4