0 B3R0.2 C=C(C)[Mg+] K5651 [0,0,0,0,0,0|2,0,1]=3 1 B3R0.2 CC(=O)O F69263 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.2 CC(=O)[O-] C69398 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.2 CC(=O)[O-] M67642 [0,0,0,0,0,0|3,0,0]=3 4 B3R0.2 CC(=O)[O-] N62590 [0,0,0,0,0,0|3,0,0]=3 5 B3R0.2 CC(=O)[O-] P67455 [0,0,0,0,0,0|3,0,0]=3 6 B3R0.2 CC(=O)[O-] R62611 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.2 CC(=O)[O-] S62515 [0,0,0,0,0,0|3,0,0]=3 8 B3R0.2 CC(C)N P39142 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.2 C[S+](C)C T68118 [0,0,0,0,0,0|1,0,0]=1 10 B3R0.2 C[S@](=O)[O-] S60840 [0,0,0,0,0,0|3,0,0]=3 11 B3R0.2 Cl[Au](Cl)Cl G62417 [0,0,0,0,0,0|4,0,0]=4 12 B3R0.2 Cl[Rh](Cl)Cl R69173 [0,0,0,0,0,0|4,0,0]=4 13 B3R0.2 Cl[Ru](Cl)Cl R67677 [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 Cl[Ru](Cl)Cl R69358 [0,0,0,0,0,0|4,0,0]=4 15 B3R0.2 N=C(N)Cl C39757 [0,0,0,0,0,0|4,0,0]=4 16 B3R0.2 NC(=S)S A39756 [0,0,0,0,0,0|4,0,0]=4 17 B3R0.2 O=C([O-])[O-] S60755 [0,0,0,0,0,0|4,0,0]=4 18 B3R0.2 O[11B](O)O B5112 [0,0,0,0,0,0|4,0,0]=4 19 B2R0.1 Br[Ni]Br N62631 [1,0,0,0,0,0|3,0,0]=4 20 B2R0.1 Br[Pd]Br P61170 [1,0,0,0,0,0|3,0,0]=4 21 B2R0.1 CNN M39755 [1,0,0,0,0,0|1,0,0]=2 22 B2R0.1 CNO M67840 [1,0,0,0,0,0|1,0,0]=2 23 B2R0.1 CON H69345 [1,0,0,0,0,0|2,0,0]=3 24 B2R0.1 CSC C60754 [1,0,0,0,0,0|1,0,0]=2 25 B2R0.1 Cl[Pt]Cl P61330 [1,0,0,0,0,0|3,0,0]=4 26 B2R0.1 N=CN F67909 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 C#C[C@@H](C)O B62970 [0,1,0,0,0,0|2,0,1]=4 28 B4R0.1 C#C[C@H](C)N B32316 [0,1,0,0,0,0|2,0,1]=4 29 B4R0.1 C#C[C@H](C)O B40212 [0,1,0,0,0,0|2,0,1]=4 30 B4R0.1 C=C(Br)CO B39863 [0,1,0,0,0,0|2,0,1]=4 31 B4R0.1 C=C(I)CO I9998 [0,1,0,0,0,0|2,0,1]=4 32 B4R0.1 C=NN(C)C D66909 [0,1,0,0,0,0|0,0,1]=2 33 B4R0.1 CC(=N)NN A38897 [0,1,0,0,0,0|3,0,0]=4 34 B4R0.1 CC(=O)CN A38843 [0,1,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(=O)CO H60801 [0,1,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(=O)NN A64932 [0,1,0,0,0,0|3,0,0]=4 37 B4R0.1 CC(C)=CBr B2881 [0,1,0,0,0,0|1,0,1]=3 38 B4R0.1 CC(C)NN P67395 [0,1,0,0,0,0|2,0,0]=3 39 B4R0.1 CC(C)NO P39934 [0,1,0,0,0,0|2,0,0]=3 40 B4R0.1 CC(C)ON P39935 [0,1,0,0,0,0|2,0,0]=3 41 B4R0.1 CC(N)=NO H37897 [0,1,0,0,0,0|3,0,0]=4 42 B4R0.1 CCB(O)O E3108 [0,1,0,0,0,0|3,0,0]=4 43 B4R0.1 CCC(=N)N P39882 [0,1,0,0,0,0|3,0,0]=4 44 B4R0.1 CCC(=N)N P39927 [0,1,0,0,0,0|3,0,0]=4 45 B4R0.1 CCC(N)=O P68920 [0,1,0,0,0,0|3,0,0]=4 46 B4R0.1 CC[C@H](C)N B62608 [0,1,0,0,0,0|2,0,0]=3 47 B4R0.1 CC[S@](=O)[O-] S39781 [0,1,0,0,0,0|3,0,0]=4 48 B4R0.1 CNC(=N)N M38407 [0,1,0,0,0,0|3,0,0]=4 49 B4R0.1 CNN(C)C T66359 [0,1,0,0,0,0|0,0,0]=1 50 B4R0.1 COC(=N)N M69240 [0,1,0,0,0,0|3,0,0]=4 51 B4R0.1 CSC(=N)N M60715 [0,1,0,0,0,0|3,0,0]=4 52 B4R0.1 C[C@@H](Cl)CO C39879 [0,1,0,0,0,0|2,0,0]=3 53 B4R0.1 C[C@@H](N)CN D39937 [0,1,0,0,0,0|2,0,0]=3 54 B4R0.1 C[C@@H](N)CO A13415 [0,1,0,0,0,0|2,0,0]=3 55 B4R0.1 C[C@@H](O)CCl C67728 [0,1,0,0,0,0|2,0,0]=3 56 B4R0.1 C[C@@H](O)CN A67482 [0,1,0,0,0,0|2,0,0]=3 57 B4R0.1 C[C@H](Br)CN B39885 [0,1,0,0,0,0|2,0,0]=3 58 B4R0.1 C[C@H](Cl)CO C39880 [0,1,0,0,0,0|2,0,0]=3 59 B4R0.1 C[C@H](N)CF F62811 [0,1,0,0,0,0|2,0,0]=3 60 B4R0.1 C[C@H](N)CN P39936 [0,1,0,0,0,0|2,0,0]=3 61 B4R0.1 C[C@H](N)CO A13416 [0,1,0,0,0,0|2,0,0]=3 62 B4R0.1 C[C@H](N)CO A69136 [0,1,0,0,0,0|2,0,0]=3 63 B4R0.1 C[C@H](O)CN A69178 [0,1,0,0,0,0|2,0,0]=3 64 B4R0.1 C[C@H](O)CO P60705 [0,1,0,0,0,0|2,0,0]=3 65 B4R0.1 N=C(N)CCl C39776 [0,1,0,0,0,0|3,0,0]=4 66 B4R0.1 N=C(N)CO H39795 [0,1,0,0,0,0|3,0,0]=4 67 B4R0.1 NC(=O)CBr B39771 [0,1,0,0,0,0|3,0,0]=4 68 B4R0.1 NC(=O)CI K60849 [0,1,0,0,0,0|3,0,0]=4 69 B4R0.1 NC(=O)CO H68919 [0,1,0,0,0,0|3,0,0]=4 70 B4R0.1 NC(=S)CF F6787 [0,1,0,0,0,0|3,0,0]=4 71 B4R0.1 NCC(N)=O G69255 [0,1,0,0,0,0|3,0,0]=4 72 B4R0.3 CS(=O)(=O)[O-] S62601 [0,1,0,0,0,0|3,0,0]=4 73 B4R0.3 CS(C)(=O)=O M60798 [0,1,0,0,0,0|2,0,0]=3 74 B4R0.3 CS(N)(=O)=O M69310 [0,1,0,0,0,0|3,0,0]=4 75 B4R0.3 C[B-](F)(F)F P67715 [0,1,0,0,0,0|3,0,0]=4 76 B4R0.3 C[N+](C)(C)C T68346 [0,1,0,0,0,0|0,0,1]=2 77 B4R0.3 C[N+](C)(C)C T68617 [0,1,0,0,0,0|0,0,1]=2 78 B4R0.3 C[N+](C)(C)C T69133 [0,1,0,0,0,0|0,0,1]=2 79 B4R0.3 C[S+](C)(C)=O T39939 [0,1,0,0,0,0|1,0,0]=2 80 B4R0.3 C[S+](C)(C)=O T69142 [0,1,0,0,0,0|1,0,0]=2 81 B4R0.3 C[S@@](=O)([O-])=S S39758 [0,1,0,0,0,0|3,0,0]=4 82 B4R1.2 BrC1CC1 B23669 [0,0,0,1,0,0|2,0,0]=3 83 B4R1.2 C[C@@H]1CN1 M6947 [0,0,0,1,0,0|2,0,0]=3 84 B4R1.2 C[C@H]1CN1 M6944 [0,0,0,1,0,0|2,0,0]=3 85 B4R1.2 OC1CC1 C21681 [0,0,0,1,0,0|2,0,0]=3 86 B1R0.1 NN H69268 [2,0,0,0,0,0|1,0,0]=3 87 B1R0.1 S=[Ca] C64763 [2,0,0,0,0,0|2,0,0]=4 88 B3R0.1 C#CCN P39910 [1,1,0,0,0,0|1,0,1]=4 89 B3R0.1 CCCN P62456 [1,1,0,0,0,0|1,0,0]=3 90 B3R0.1 CCNC M39932 [1,1,0,0,0,0|0,0,0]=2 91 B3R0.1 CCON E60797 [1,1,0,0,0,0|2,0,0]=4 92 B3R0.1 FCCI F39767 [1,1,0,0,0,0|2,0,0]=4 93 B3R0.1 N#CCI K39764 [1,1,0,0,0,0|2,0,0]=4 94 B3R0.1 N#CCN A68631 [1,1,0,0,0,0|2,0,0]=4 95 B3R0.1 NCCBr B68074 [1,1,0,0,0,0|2,0,0]=4 96 B3R0.1 NCCCl C68611 [1,1,0,0,0,0|2,0,0]=4 97 B3R0.1 NCCF F39796 [1,1,0,0,0,0|2,0,0]=4 98 B5R0.1 C=C(C)CON M40345 [0,2,0,0,0,0|1,0,1]=4 99 B5R0.1 C=C(C)OCC E5573 [0,2,0,0,0,0|1,0,1]=4 100 B5R0.1 C=CC[C@H](C)O P62507 [0,2,0,0,0,0|2,0,0]=4 101 B5R0.1 CC#C[C@H](C)O B1790 [0,2,0,0,0,0|2,0,0]=4 102 B5R0.1 CC(=O)CC#N X40158 [0,2,0,0,0,0|2,0,0]=4 103 B5R0.1 CC(=O)CCCl C69539 [0,2,0,0,0,0|2,0,0]=4 104 B5R0.1 CC(C)CNN B40316 [0,2,0,0,0,0|1,0,0]=3 105 B5R0.1 CC(C)\C=N\O I2624 [0,2,0,0,0,0|1,0,1]=4 106 B5R0.1 CCC[C@@H](C)N P16023 [0,2,0,0,0,0|2,0,0]=4 107 B5R0.1 CCC[C@H](C)N P22363 [0,2,0,0,0,0|2,0,0]=4 108 B5R0.1 CCOC(C)=N E68065 [0,2,0,0,0,0|2,0,0]=4 109 B5R0.1 CN(C)CC=O D39943 [0,2,0,0,0,0|0,0,0]=2 110 B5R0.1 CN(C)CCBr B39953 [0,2,0,0,0,0|0,0,0]=2 111 B5R0.1 CN(C)NC=O D66358 [0,2,0,0,0,0|0,0,1]=3 112 B5R0.1 COC[C@@H](C)N M40311 [0,2,0,0,0,0|2,0,0]=4 113 B5R0.1 COC[C@@H](C)O M39959 [0,2,0,0,0,0|2,0,0]=4 114 B5R0.1 COC[C@H](C)O M61064 [0,2,0,0,0,0|2,0,0]=4 115 B5R0.1 C[C@@H](N)CCO A10772 [0,2,0,0,0,0|2,0,0]=4 116 B5R0.1 C[C@H](N)CCO A10771 [0,2,0,0,0,0|2,0,0]=4 117 B5R0.1 C[C@H](N)CCO A39964 [0,2,0,0,0,0|2,0,0]=4 118 B5R0.1 C[C@H](O)CCO B68917 [0,2,0,0,0,0|2,0,0]=4 119 B5R0.3 C=C(CBr)CBr B36829 [0,2,0,0,0,0|1,0,1]=4 120 B5R0.3 C=C(CCl)CCl C10867 [0,2,0,0,0,0|1,0,1]=4 121 B5R0.3 C=C(CO)CO M5145 [0,2,0,0,0,0|1,0,1]=4 122 B5R0.3 CC(CBr)CBr D40238 [0,2,0,0,0,0|1,0,0]=3 123 B5R0.3 CC(CO)CO M60880 [0,2,0,0,0,0|1,0,0]=3 124 B5R0.3 CCC(=O)CN A32390 [0,2,0,0,0,0|2,0,0]=4 125 B5R0.3 CCC(=O)CO H36713 [0,2,0,0,0,0|2,0,0]=4 126 B5R0.3 CCC(N)CC P40440 [0,2,0,0,0,0|2,0,0]=4 127 B5R0.3 CC[C@@H](N)CO A39144 [0,2,0,0,0,0|2,0,0]=4 128 B5R0.3 CC[C@@H](O)CO B39955 [0,2,0,0,0,0|2,0,0]=4 129 B5R0.3 CC[C@H](N)CO A39145 [0,2,0,0,0,0|2,0,0]=4 130 B5R0.3 CC[C@H](O)CO B39956 [0,2,0,0,0,0|2,0,0]=4 131 B5R0.3 CNC(=O)CBr B60913 [0,2,0,0,0,0|2,0,0]=4 132 B5R0.3 CNC(=O)CCl C67921 [0,2,0,0,0,0|2,0,0]=4 133 B5R0.3 COC(=O)CN M69126 [0,2,0,0,0,0|2,0,0]=4 134 B5R0.3 COC(=O)CO M67586 [0,2,0,0,0,0|2,0,0]=4 135 B5R0.3 CO[C@@H](C)CN M40313 [0,2,0,0,0,0|1,0,0]=3 136 B5R0.3 CO[C@@H](C)CO M68380 [0,2,0,0,0,0|1,0,0]=3 137 B5R0.3 CO[C@H](C)CN M40312 [0,2,0,0,0,0|1,0,0]=3 138 B5R0.3 CO[C@H](C)CO M68381 [0,2,0,0,0,0|1,0,0]=3 139 B5R0.3 NCC(O)CN D38498 [0,2,0,0,0,0|2,0,0]=4 140 B5R0.3 NC[C@@H](O)CCl A39888 [0,2,0,0,0,0|2,0,0]=4 141 B5R0.3 NC[C@@H](O)CO A67523 [0,2,0,0,0,0|2,0,0]=4 142 B5R0.3 NC[C@H](Br)CBr D9273 [0,2,0,0,0,0|2,0,0]=4 143 B5R0.3 NC[C@H](O)CCl A36622 [0,2,0,0,0,0|2,0,0]=4 144 B5R0.3 NC[C@H](O)CCl A39887 [0,2,0,0,0,0|2,0,0]=4 145 B5R0.3 NC[C@H](O)CF A28629 [0,2,0,0,0,0|2,0,0]=4 146 B5R0.3 NC[C@H](O)CO A38562 [0,2,0,0,0,0|2,0,0]=4 147 B5R0.3 NC[C@H](O)CO A67451 [0,2,0,0,0,0|2,0,0]=4 148 B5R0.3 O=C(CCl)CCl D4849 [0,2,0,0,0,0|2,0,0]=4 149 B5R0.3 OC[C@@H](O)CCl C69122 [0,2,0,0,0,0|2,0,0]=4 150 B5R0.3 OC[C@@H](O)CF F60905 [0,2,0,0,0,0|2,0,0]=4 151 B5R0.3 OC[C@H](O)CCl C68371 [0,2,0,0,0,0|2,0,0]=4 152 B5R0.3 OC[C@H](O)CF F60904 [0,2,0,0,0,0|2,0,0]=4 153 B5R0.4 C#CC(C)(C)C D2889 [0,2,0,0,0,0|1,0,0]=3 154 B5R0.4 C#C[Si](C)(C)C E40399 [0,2,0,0,0,0|1,0,0]=3 155 B5R0.4 C=C[Si](C)(C)C E25225 [0,2,0,0,0,0|1,0,0]=3 156 B5R0.4 CC(C)(C)CN D41344 [0,2,0,0,0,0|1,0,0]=3 157 B5R0.4 CC(C)(C)C[Mg+] D31702 [0,2,0,0,0,0|1,0,0]=3 158 B5R0.4 CC(C)(C)NO B41419 [0,2,0,0,0,0|1,0,0]=3 159 B5R0.4 CC(C)(C)ON B40314 [0,2,0,0,0,0|1,0,0]=3 160 B5R0.4 CC(C)(F)CO F64897 [0,2,0,0,0,0|1,0,0]=3 161 B5R0.4 CC(C)(N)C#N A39161 [0,2,0,0,0,0|1,0,1]=4 162 B5R0.4 CC(C)(N)CN M25502 [0,2,0,0,0,0|1,0,0]=3 163 B5R0.4 CC(C)(N)CO A68632 [0,2,0,0,0,0|1,0,0]=3 164 B5R0.4 CC(C)(O)CCl C40272 [0,2,0,0,0,0|1,0,0]=3 165 B5R0.4 CC(C)(O)CN A10987 [0,2,0,0,0,0|1,0,0]=3 166 B5R0.4 CC(C)(O)CO M37968 [0,2,0,0,0,0|1,0,0]=3 167 B5R0.4 CC(C)(S)CN A40315 [0,2,0,0,0,0|1,0,0]=3 168 B5R0.4 CC(F)(F)CN D38838 [0,2,0,0,0,0|2,0,0]=4 169 B5R0.4 CNS(C)(=O)=O M39134 [0,2,0,0,0,0|2,0,0]=4 170 B5R0.4 COS(C)(=O)=O M67643 [0,2,0,0,0,0|2,0,0]=4 171 B5R0.4 C[Si](C)(C)CI K39963 [0,2,0,0,0,0|1,0,0]=3 172 B5R0.4 [C-]#[N+]C(C)(C)C I29922 [0,2,0,0,0,0|1,0,0]=3 173 B5R0.5 CC(C)B(O)O P39893 [0,2,0,0,0,0|2,0,0]=4 174 B5R0.5 CC(C)C(=N)N B40303 [0,2,0,0,0,0|1,0,1]=4 175 B5R0.5 CC(C)C(N)=O I4848 [0,2,0,0,0,0|1,0,1]=4 176 B5R0.5 CC(C)C(N)=S M3101 [0,2,0,0,0,0|1,0,1]=4 177 B5R0.5 CC(C)[S@](=O)[O-] S66891 [0,2,0,0,0,0|2,0,0]=4 178 B5R0.5 CN(C)C(=S)Cl D8332 [0,2,0,0,0,0|0,0,1]=3 179 B5R0.5 CN(N)C(N)=O M1991 [0,2,0,0,0,0|1,0,1]=4 180 B5R0.5 CN(N)C(N)=S M39785 [0,2,0,0,0,0|1,0,1]=4 181 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [0,2,0,0,0,0|2,0,0]=4 182 B5R0.5 C[C@H](O)[C@H](C)O B39958 [0,2,0,0,0,0|2,0,0]=4 183 B5R1.2 BrC1CCC1 B23687 [0,1,0,1,0,0|2,0,0]=4 184 B5R1.2 BrC1CNC1 B13326 [0,1,0,1,0,0|2,0,0]=4 185 B5R1.2 BrC1COC1 B5688 [0,1,0,1,0,0|2,0,0]=4 186 B5R1.2 CC1CNC1 M1321 [0,1,0,1,0,0|1,0,0]=3 187 B5R1.2 C[C@H]1CCN1 M29512 [0,1,0,1,0,0|1,0,0]=3 188 B5R1.2 ClC1CNC1 C1323 [0,1,0,1,0,0|2,0,0]=4 189 B5R1.2 ClC1COC1 C8470 [0,1,0,1,0,0|2,0,0]=4 190 B5R1.2 FC1CNC1 F5255 [0,1,0,1,0,0|2,0,0]=4 191 B5R1.2 IC1CCC1 I23424 [0,1,0,1,0,0|2,0,0]=4 192 B5R1.2 IC1CNC1 I13327 [0,1,0,1,0,0|2,0,0]=4 193 B5R1.2 IC1COC1 I5689 [0,1,0,1,0,0|2,0,0]=4 194 B5R1.2 NC1CCC1 C60561 [0,1,0,1,0,0|2,0,0]=4 195 B5R1.2 NC1CNC1 A5482 [0,1,0,1,0,0|2,0,0]=4 196 B5R1.2 NC1COC1 O5613 [0,1,0,1,0,0|2,0,0]=4 197 B5R1.2 NC1CSC1 T6025 [0,1,0,1,0,0|2,0,0]=4 198 B5R1.2 O=C1CCC1 C8674 [0,1,0,1,0,0|2,0,0]=4 199 B5R1.2 O=C1CNC1 A1318 [0,1,0,1,0,0|2,0,0]=4 200 B5R1.2 O=C1COC1 O4015 [0,1,0,1,0,0|2,0,0]=4 201 B5R1.2 O=C1CSC1 T6026 [0,1,0,1,0,0|2,0,0]=4 202 B5R1.2 OC1CNC1 H2864 [0,1,0,1,0,0|2,0,0]=4 203 B5R1.2 OC1COC1 O5686 [0,1,0,1,0,0|2,0,0]=4 204 B5R1.2 SC1CNC1 A11453 [0,1,0,1,0,0|2,0,0]=4 205 B5R1.2 SC1COC1 O8471 [0,1,0,1,0,0|2,0,0]=4 206 B5R1.2 [Mg+]C1CCC1 P5028 [0,1,0,1,0,0|2,0,0]=4 207 B5R1.3 BrCC1CC1 C2498 [0,1,0,1,0,0|1,0,0]=3 208 B5R1.3 CNC1CC1 M1319 [0,1,0,1,0,0|1,0,0]=3 209 B5R1.3 CNC1CC1 M14718 [0,1,0,1,0,0|1,0,0]=3 210 B5R1.3 ClC[C@@H]1CO1 E10841 [0,1,0,1,0,0|2,0,0]=4 211 B5R1.3 ClC[C@H]1CO1 E10840 [0,1,0,1,0,0|2,0,0]=4 212 B5R1.3 NNC1CC1 C19179 [0,1,0,1,0,0|2,0,0]=4 213 B5R1.3 NNC1CC1 C32080 [0,1,0,1,0,0|2,0,0]=4 214 B5R1.3 O=CC1CC1 C20058 [0,1,0,1,0,0|1,0,1]=4 215 B5R1.3 OC[C@@H]1CO1 X39872 [0,1,0,1,0,0|2,0,0]=4 216 B5R1.3 OC[C@H]1CO1 X60516 [0,1,0,1,0,0|2,0,0]=4 217 B5R1.4 C[C@@H]1C[C@H]1N M40340 [0,1,0,1,0,0|1,0,0]=3 218 B5R1.4 N[C@@H]1C[C@H]1F F32136 [0,1,0,1,0,0|2,0,0]=4 219 B5R1.5 CC1(Br)CC1 B29865 [0,1,0,1,0,0|1,0,0]=3 220 B5R1.5 CC1(N)CC1 M13330 [0,1,0,1,0,0|1,0,0]=3 221 B5R1.5 CC1(O)CC1 M22890 [0,1,0,1,0,0|1,0,0]=3