0 B3R0.2 CC(=N)N 2825466 [0,0,0,0,0,0|2,0,1]=3 1 B3R0.2 CC(=N)S 22430621 [0,0,0,0,0,0|1,1,1]=3 2 B3R0.2 CC(=O)O 22430651 [0,0,0,0,0,0|1,0,1]=2 3 B3R0.2 CC(=O)O 2825250 [0,0,0,0,0,0|1,0,1]=2 4 B3R0.2 CC(=O)O 2825650 [0,0,0,0,0,0|1,0,1]=2 5 B3R0.2 CC(=O)S 6057532 [0,0,0,0,0,0|1,0,2]=3 6 B3R0.2 CC(=O)[O-] 22430506 [0,0,0,0,0,0|1,0,2]=3 7 B3R0.2 CC(C)Br 2826201 [0,0,0,0,0,0|1,0,0]=1 8 B3R0.2 CC(C)Cl 8563287 [0,0,0,0,0,0|1,0,0]=1 9 B3R0.2 CC(C)I 2843704 [0,0,0,0,0,0|1,0,0]=1 10 B3R0.2 CC(C)N 22430489 [0,0,0,0,0,0|1,0,0]=1 11 B3R0.2 CC(C)N 2825248 [0,0,0,0,0,0|1,0,0]=1 12 B3R0.2 CC(C)S 2816601 [0,0,0,0,0,0|0,1,0]=1 13 B3R0.2 CC(N)=O 2825246 [0,0,0,0,0,0|1,0,2]=3 14 B3R0.2 CC(N)=S 2043866 [0,0,0,0,0,0|1,1,1]=3 15 B3R0.2 CN(C)N 1778527 [0,0,0,0,0,0|2,0,0]=2 16 B3R0.2 C[N+](=O)[O-] 6057031 [0,0,0,0,0,0|2,0,1]=3 17 B3R0.2 C[S+](C)C 22430468 [0,0,0,0,0,0|2,0,0]=2 18 B3R0.2 N=C(N)N 22430389 [0,0,0,0,0,0|3,0,1]=4 19 B3R0.2 N=C(N)N 2826164 [0,0,0,0,0,0|3,0,1]=4 20 B3R0.2 N=C([NH3+])[NH3+] 22430381 [0,0,0,0,0,0|3,0,1]=4 21 B3R0.2 NC(N)=S 2825306 [0,0,0,0,0,0|2,1,1]=4 22 B3R0.2 O=[N+]([O-])O 22430585 [0,0,0,0,0,0|3,0,0]=3 23 B2R0.1 BrCBr 2846774 [1,0,0,0,0,0|2,0,0]=3 24 B2R0.1 CC=O 3585877 [1,0,0,0,0,0|0,0,2]=3 25 B2R0.1 CCI 2830268 [1,0,0,0,0,0|1,0,0]=2 26 B2R0.1 CCN 6057187 [1,0,0,0,0,0|1,0,0]=2 27 B2R0.1 CNC 6057150 [1,0,0,0,0,0|1,0,0]=2 28 B2R0.1 CON 1270718 [1,0,0,0,0,0|2,0,0]=3 29 B2R0.1 Cl[Pd]Cl 22430432 [1,0,0,0,0,0|3,0,0]=4 30 B2R0.1 Cl[Sn]Cl 6057406 [1,0,0,0,0,0|3,0,0]=4 31 B2R0.1 N#CBr 2816883 [1,0,0,0,0,0|2,0,1]=4 32 B2R0.1 NCC 22430626 [1,0,0,0,0,0|1,0,0]=2 33 B2R0.1 S=C=S 2825307 [1,0,0,0,0,0|1,1,1]=4 34 B2R0.1 [BH3-]C#N 3585761 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C=C(C)C#N 8420357 [0,1,0,0,0,0|1,0,2]=4 36 B4R0.1 C=C(C)CCl 2825437 [0,1,0,0,0,0|1,0,1]=3 37 B4R0.1 C=CC(=C)C 22430632 [0,1,0,0,0,0|1,0,2]=4 38 B4R0.1 C=CC(=O)O 2825263 [0,1,0,0,0,0|1,0,2]=4 39 B4R0.1 C=CC(C)=O 4434968 [0,1,0,0,0,0|0,0,3]=4 40 B4R0.1 CC(=O)C=O 2825264 [0,1,0,0,0,0|0,0,3]=4 41 B4R0.1 CC(=O)CBr 2818247 [0,1,0,0,0,0|0,0,2]=3 42 B4R0.1 CC(=O)CCl 2825445 [0,1,0,0,0,0|0,0,2]=3 43 B4R0.1 CC(=O)CN 15296922 [0,1,0,0,0,0|0,0,2]=3 44 B4R0.1 CC(=O)CO 2825282 [0,1,0,0,0,0|0,0,2]=3 45 B4R0.1 CC(=O)NN 1778530 [0,1,0,0,0,0|1,0,2]=4 46 B4R0.1 CC(C)=NO 2816596 [0,1,0,0,0,0|0,0,1]=2 47 B4R0.1 CC(C)C#N 1519459 [0,1,0,0,0,0|1,0,0]=2 48 B4R0.1 CC(C)C=O 2825266 [0,1,0,0,0,0|0,0,1]=2 49 B4R0.1 CC(C)CBr 2827161 [0,1,0,0,0,0|1,0,0]=2 50 B4R0.1 CC(C)CN 1201821 [0,1,0,0,0,0|1,0,0]=2 51 B4R0.1 CC(C)CO 2825285 [0,1,0,0,0,0|0,0,0]=1 52 B4R0.1 CC(C)NN 11186491 [0,1,0,0,0,0|1,0,0]=2 53 B4R0.1 CC(C)[Mg]Cl 22430581 [0,1,0,0,0,0|1,0,0]=2 54 B4R0.1 CC(Cl)CN 22430566 [0,1,0,0,0,0|1,0,0]=2 55 B4R0.1 CC(N)CN 2825289 [0,1,0,0,0,0|1,0,0]=2 56 B4R0.1 CC(O)CN 2825298 [0,1,0,0,0,0|0,0,0]=1 57 B4R0.1 CCC(=O)Cl 1051693 [0,1,0,0,0,0|1,0,2]=4 58 B4R0.1 CCC(=O)O 14605034 [0,1,0,0,0,0|1,0,1]=3 59 B4R0.1 CCC(C)=O 3585902 [0,1,0,0,0,0|0,0,2]=3 60 B4R0.1 CCC(C)Br 2818248 [0,1,0,0,0,0|1,0,0]=2 61 B4R0.1 CCC(C)N 1146656 [0,1,0,0,0,0|1,0,0]=2 62 B4R0.1 CCC(C)O 2825288 [0,1,0,0,0,0|0,0,0]=1 63 B4R0.1 CCC(N)=O 1375166 [0,1,0,0,0,0|1,0,2]=4 64 B4R0.1 CCN(C)C 5221370 [0,1,0,0,0,0|2,0,0]=3 65 B4R0.1 CC[N+](=O)[O-] 2825295 [0,1,0,0,0,0|2,0,1]=4 66 B4R0.1 CN(C)C#N 22430679 [0,1,0,0,0,0|2,0,0]=3 67 B4R0.1 CNC(N)=O 1778531 [0,1,0,0,0,0|1,0,2]=4 68 B4R0.1 CNC(N)=S 1655198 [0,1,0,0,0,0|1,1,1]=4 69 B4R0.1 COC(=O)Cl 2825463 [0,1,0,0,0,0|1,0,2]=4 70 B4R0.1 COC(Cl)Cl 2817081 [0,1,0,0,0,0|2,0,0]=3 71 B4R0.1 COC(N)=O 2825294 [0,1,0,0,0,0|1,0,2]=4 72 B4R0.1 CSC(=N)N 22430370 [0,1,0,0,0,0|2,0,1]=4 73 B4R0.1 CSC(=N)N 8916343 [0,1,0,0,0,0|2,0,1]=4 74 B4R0.1 C[C@H](N)CO 7020694203 [0,1,0,0,0,0|1,0,0]=2 75 B4R0.1 C\C(Cl)=C/Cl 22430536 [0,1,0,0,0,0|1,0,2]=4 76 B4R0.1 C\C(N)=N\O 4434544 [0,1,0,0,0,0|1,0,1]=3 77 B4R0.1 NC(=O)CCl 2825454 [0,1,0,0,0,0|1,0,2]=4 78 B4R0.1 NC(=O)CS 3474154 [0,1,0,0,0,0|1,0,2]=4 79 B4R0.1 NC(=O)NO 4666717 [0,1,0,0,0,0|2,0,1]=4 80 B4R0.1 NCC(=O)O 2825296 [0,1,0,0,0,0|1,0,1]=3 81 B4R0.1 NCC(=O)O 5753509 [0,1,0,0,0,0|1,0,1]=3 82 B4R0.1 O=C(Cl)CCl 2825844 [0,1,0,0,0,0|1,0,2]=4 83 B4R0.1 O=C(O)CBr 2827321 [0,1,0,0,0,0|1,0,1]=3 84 B4R0.1 O=C(O)CCl 2825462 [0,1,0,0,0,0|1,0,1]=3 85 B4R0.1 O=C(O)CI 2928692 [0,1,0,0,0,0|1,0,1]=3 86 B4R0.1 O=C(O)CO 2825300 [0,1,0,0,0,0|1,0,1]=3 87 B4R0.1 O=C(O)CS 2119848 [0,1,0,0,0,0|1,0,1]=3 88 B4R0.1 O=C([O-])CS 6057377 [0,1,0,0,0,0|1,0,2]=4 89 B4R0.1 O=CC(=O)O 2825277 [0,1,0,0,0,0|1,0,2]=4 90 B4R0.3 BrC(Br)(Br)Br 22430463 [0,1,0,0,0,0|3,0,0]=4 91 B4R0.3 CC(C)(C)Cl 2816686 [0,1,0,0,0,0|1,0,0]=2 92 B4R0.3 CC(C)(C)N 1188082 [0,1,0,0,0,0|1,0,0]=2 93 B4R0.3 CC(C)(C)O 2825286 [0,1,0,0,0,0|0,0,0]=1 94 B4R0.3 CC(C)(C)S 2825433 [0,1,0,0,0,0|0,1,0]=2 95 B4R0.3 CS(=O)(=O)O 2816712 [0,1,0,0,0,0|2,0,0]=3 96 B4R0.3 CS(N)(=O)=O 2825472 [0,1,0,0,0,0|2,0,1]=4 97 B4R0.3 C[S+](C)(C)=O 22430502 [0,1,0,0,0,0|1,0,1]=3 98 B4R0.3 C[Si](C)(C)Cl 2825729 [0,1,0,0,0,0|1,1,0]=3 99 B4R0.3 FC(F)(Br)Br 2956673 [0,1,0,0,0,0|3,0,0]=4 100 B4R0.3 NS(=O)(=O)O 2825492 [0,1,0,0,0,0|3,0,0]=4 101 B4R0.3 O=S(=O)(O)O 22430399 [0,1,0,0,0,0|3,0,0]=4 102 B4R0.3 O=S(=O)(O)O 22430587 [0,1,0,0,0,0|3,0,0]=4 103 B4R0.3 O=S(=O)([O-])O 22430383 [0,1,0,0,0,0|3,0,0]=4 104 B4R1.2 CC1CO1 2825245 [0,0,0,1,0,0|0,0,0]=1 105 B4R1.2 NC1CC1 2825240 [0,0,0,1,0,0|1,0,0]=2 106 B1R0.1 Br[Ag] 22430508 [2,0,0,0,0,0|2,0,0]=4 107 B1R0.1 CI 2827702 [2,0,0,0,0,0|1,0,0]=3 108 B1R0.1 CN 3585770 [2,0,0,0,0,0|1,0,0]=3 109 B1R0.1 NO 6057170 [2,0,0,0,0,0|1,0,0]=3 110 B3R0.1 BrCCBr 2931541 [1,1,0,0,0,0|1,0,0]=3 111 B3R0.1 C#CCBr 22430369 [1,1,0,0,0,0|0,0,2]=4 112 B3R0.1 C#CCO 6057505 [1,1,0,0,0,0|0,0,1]=3 113 B3R0.1 C=CCBr 2826145 [1,1,0,0,0,0|0,0,2]=4 114 B3R0.1 C=CCCl 2825308 [1,1,0,0,0,0|0,0,2]=4 115 B3R0.1 C=CCN 3643807 [1,1,0,0,0,0|0,0,2]=4 116 B3R0.1 CCC#N 1519460 [1,1,0,0,0,0|0,0,1]=3 117 B3R0.1 CCC=O 2825243 [1,1,0,0,0,0|0,0,1]=3 118 B3R0.1 CCCBr 2826200 [1,1,0,0,0,0|0,0,0]=2 119 B3R0.1 CCCI 2843705 [1,1,0,0,0,0|0,0,0]=2 120 B3R0.1 CCCN 2825249 [1,1,0,0,0,0|0,0,0]=2 121 B3R0.1 CN=C=S 2825274 [1,1,0,0,0,0|0,1,1]=4 122 B3R0.1 CNOC 2825501 [1,1,0,0,0,0|1,0,0]=3 123 B3R0.1 COC=O 13507909 [1,1,0,0,0,0|0,0,2]=4 124 B3R0.1 CSSC 2816694 [1,1,0,0,0,0|1,0,0]=3 125 B3R0.1 ClCCBr 2819184 [1,1,0,0,0,0|1,0,0]=3 126 B3R0.1 FCCBr 22430481 [1,1,0,0,0,0|1,0,0]=3 127 B3R0.1 N#CCCl 2825299 [1,1,0,0,0,0|1,0,1]=4 128 B3R0.1 N#CCN 22430542 [1,1,0,0,0,0|1,0,1]=4 129 B3R0.1 NCCCl 2825973 [1,1,0,0,0,0|1,0,0]=3 130 B3R0.1 NCCN 3585805 [1,1,0,0,0,0|1,0,0]=3 131 B3R0.1 NCCO 3585939 [1,1,0,0,0,0|0,0,0]=2 132 B3R0.1 NCCS 2119122 [1,1,0,0,0,0|0,1,0]=3 133 B3R0.1 NCCS 22430522 [1,1,0,0,0,0|0,1,0]=3 134 B3R0.1 N\C=N\O 6923389 [1,1,0,0,0,0|1,0,1]=4 135 B3R0.1 O=CCCl 2825311 [1,1,0,0,0,0|0,0,2]=4 136 B3R0.1 O=NO[Na] 6057364 [1,1,0,0,0,0|2,0,0]=4 137 B3R0.1 OCCBr 2826257 [1,1,0,0,0,0|0,0,0]=2 138 B3R0.1 OCCCl 2825315 [1,1,0,0,0,0|0,0,0]=2 139 B3R0.1 OCCF 22430618 [1,1,0,0,0,0|0,0,0]=2 140 B3R0.1 OCCS 2121589 [1,1,0,0,0,0|0,0,0]=2 141 B5R0.1 C=COC(C)=O 2825364 [0,2,0,0,0,0|1,0,1]=4 142 B5R0.1 CC(=O)CCN 1513437 [0,2,0,0,0,0|0,0,2]=4 143 B5R0.1 CC(C)=CCBr 22430446 [0,2,0,0,0,0|1,0,1]=4 144 B5R0.1 CC(C)CC=O 2825368 [0,2,0,0,0,0|0,0,1]=3 145 B5R0.1 CC(C)CCBr 2829190 [0,2,0,0,0,0|1,0,0]=3 146 B5R0.1 CC(C)CCCl 2825683 [0,2,0,0,0,0|1,0,0]=3 147 B5R0.1 CC(C)CCN 22430471 [0,2,0,0,0,0|1,0,0]=3 148 B5R0.1 CC(C)CCN 2825383 [0,2,0,0,0,0|1,0,0]=3 149 B5R0.1 CC(C)CCO 2825400 [0,2,0,0,0,0|0,0,0]=2 150 B5R0.1 CC(O)CNN 2630835 [0,2,0,0,0,0|0,0,0]=2 151 B5R0.1 CCCC(=O)O 2825391 [0,2,0,0,0,0|1,0,1]=4 152 B5R0.1 CCCC(C)=O 1366507 [0,2,0,0,0,0|0,0,2]=4 153 B5R0.1 CCOC(C)=N 6849557 [0,2,0,0,0,0|1,0,1]=4 154 B5R0.1 CN(C)CCCl 3463724 [0,2,0,0,0,0|2,0,0]=4 155 B5R0.1 CN(C)CCN 1901621 [0,2,0,0,0,0|2,0,0]=4 156 B5R0.1 CN(C)CCO 1275578 [0,2,0,0,0,0|1,0,0]=3 157 B5R0.1 CNCC(=O)O 1972908 [0,2,0,0,0,0|1,0,1]=4 158 B5R0.1 CNCC(C)O 1366510 [0,2,0,0,0,0|0,0,0]=2 159 B5R0.1 COCC(=O)O 2825420 [0,2,0,0,0,0|1,0,1]=4 160 B5R0.1 COCC(C)O 2816677 [0,2,0,0,0,0|0,0,0]=2 161 B5R0.1 C\C=C\C(=O)O 5252226 [0,2,0,0,0,0|1,0,1]=4 162 B5R0.1 N#CCC(=O)O 1519400 [0,2,0,0,0,0|1,0,1]=4 163 B5R0.1 NCCC(=O)O 2825410 [0,2,0,0,0,0|1,0,1]=4 164 B5R0.1 O=C(O)CCBr 2829509 [0,2,0,0,0,0|1,0,1]=4 165 B5R0.1 O=C(O)CCCl 2825726 [0,2,0,0,0,0|1,0,1]=4 166 B5R0.1 O=C(O)CCO 2255842 [0,2,0,0,0,0|1,0,1]=4 167 B5R0.1 O=C(O)CCS 2825675 [0,2,0,0,0,0|1,0,1]=4 168 B5R0.3 BrCC(Br)CBr 22430682 [0,2,0,0,0,0|1,0,0]=3 169 B5R0.3 CCC(=O)CC 2825371 [0,2,0,0,0,0|0,0,2]=4 170 B5R0.3 CCC(C)CO 2816664 [0,2,0,0,0,0|0,0,0]=2 171 B5R0.3 CCC(N)CO 2204675 [0,2,0,0,0,0|1,0,0]=3 172 B5R0.3 CCN(N)CC 1778548 [0,2,0,0,0,0|2,0,0]=4 173 B5R0.3 CNC(=O)CCl 7020410071 [0,2,0,0,0,0|0,0,2]=4 174 B5R0.3 CNC(=O)NC 2825397 [0,2,0,0,0,0|0,0,2]=4 175 B5R0.3 COC(=O)CBr 2820342 [0,2,0,0,0,0|0,0,2]=4 176 B5R0.3 COC(=O)CCl 2825724 [0,2,0,0,0,0|0,0,2]=4 177 B5R0.3 COC(=O)CI 4787273 [0,2,0,0,0,0|0,0,2]=4 178 B5R0.3 COC(=O)CN 2826298 [0,2,0,0,0,0|0,0,2]=4 179 B5R0.3 COC(=O)CS 2825674 [0,2,0,0,0,0|0,0,2]=4 180 B5R0.3 COC(=O)OC 2825421 [0,2,0,0,0,0|0,0,2]=4 181 B5R0.3 O=C(CCl)CCl 2826373 [0,2,0,0,0,0|0,0,2]=4 182 B5R0.3 O=C(CO)CO 22430589 [0,2,0,0,0,0|0,0,2]=4 183 B5R0.3 OC(CCl)CCl 2817718 [0,2,0,0,0,0|0,0,0]=2 184 B5R0.3 OCC(O)CCl 2825766 [0,2,0,0,0,0|0,0,0]=2 185 B5R0.3 OCC(O)CO 2825442 [0,2,0,0,0,0|0,0,0]=2 186 B5R0.3 OCC(O)CS 22430414 [0,2,0,0,0,0|0,0,0]=2 187 B5R0.4 CC(C)(Br)C#N 3668482 [0,2,0,0,0,0|1,0,0]=3 188 B5R0.4 CC(C)(C)C#N 2816615 [0,2,0,0,0,0|1,0,0]=3 189 B5R0.4 CC(C)(C)NN 6849649 [0,2,0,0,0,0|1,0,0]=3 190 B5R0.4 CC(C)(N)C#N 7213780003 [0,2,0,0,0,0|1,0,0]=3 191 B5R0.4 CC(C)(N)CO 2825414 [0,2,0,0,0,0|0,0,0]=2 192 B5R0.4 CC(C)(O)C#N 2825351 [0,2,0,0,0,0|0,0,0]=2 193 B5R0.4 CC(C)(O)CN 7020694197 [0,2,0,0,0,0|0,0,0]=2 194 B5R0.4 CCS(C)(=O)=O 1115483 [0,2,0,0,0,0|1,0,1]=4 195 B5R0.4 CS(=O)(=O)NO 1778599 [0,2,0,0,0,0|2,0,0]=4 196 B5R0.4 C[Si](C)(C)CCl 2826198 [0,2,0,0,0,0|1,1,0]=4 197 B5R0.4 OCC(F)(F)F 2825547 [0,2,0,0,0,0|2,0,0]=4 198 B5R0.5 C=C(C)C(=O)O 2825357 [0,2,0,0,0,0|0,0,2]=4 199 B5R0.5 CC(=O)C(=O)O 2825388 [0,2,0,0,0,0|1,0,1]=4 200 B5R0.5 CC(=O)C(C)=O 2825359 [0,2,0,0,0,0|0,0,2]=4 201 B5R0.5 CC(=O)C(C)C 2825372 [0,2,0,0,0,0|0,0,1]=3 202 B5R0.5 CC(=O)C(C)Cl 2825681 [0,2,0,0,0,0|1,0,0]=3 203 B5R0.5 CC(=O)C(C)O 2825393 [0,2,0,0,0,0|0,0,0]=2 204 B5R0.5 CC(=O)N(C)C 2825378 [0,2,0,0,0,0|0,0,2]=4 205 B5R0.5 CC(=O)N(C)N 3354157 [0,2,0,0,0,0|0,0,2]=4 206 B5R0.5 CC(Br)C(=O)O 2829508 [0,2,0,0,0,0|1,0,0]=3 207 B5R0.5 CC(C)C(=O)Cl 1051695 [0,2,0,0,0,0|0,0,1]=3 208 B5R0.5 CC(C)C(=O)O 1201986 [0,2,0,0,0,0|0,0,0]=2 209 B5R0.5 CC(C)C(N)=O 1375169 [0,2,0,0,0,0|0,0,1]=3 210 B5R0.5 CC(C)C(N)=S 2043864 [0,2,0,0,0,0|0,1,0]=3 211 B5R0.5 CC(C)[N+](=O)[O-] 2825411 [0,2,0,0,0,0|0,0,1]=3 212 B5R0.5 CC(Cl)C(N)=O 2825697 [0,2,0,0,0,0|1,0,1]=4 213 B5R0.5 CC(N)C(=O)O 7216850010 [0,2,0,0,0,0|1,0,0]=3 214 B5R0.5 CC(N)C(C)N 5008336 [0,2,0,0,0,0|1,0,0]=3 215 B5R0.5 CC(O)C(=O)O 2825419 [0,2,0,0,0,0|0,0,1]=3 216 B5R0.5 CC(O)C(C)O 2825429 [0,2,0,0,0,0|0,0,0]=2 217 B5R0.5 CC(S)C(=O)O 2120474 [0,2,0,0,0,0|1,0,0]=3 218 B5R0.5 CN(C)C(=O)Cl 2197768 [0,2,0,0,0,0|1,0,1]=4 219 B5R0.5 C[C@H](N)C(=O)O 22430475 [0,2,0,0,0,0|1,0,0]=3 220 B5R0.5 O=C(O)C(Cl)Cl 2826549 [0,2,0,0,0,0|1,0,1]=4 221 B5R1.2 BrC1CCC1 22430603 [0,1,0,1,0,0|1,0,0]=3 222 B5R1.2 O=C1COC1 3463696 [0,1,0,1,0,0|0,0,2]=4 223 B5R1.2 OC1CNC1 3488477 [0,1,0,1,0,0|0,0,0]=2 224 B5R1.2 OC1COC1 5005520 [0,1,0,1,0,0|0,0,0]=2 225 B5R1.2 OC1CSC1 3354159 [0,1,0,1,0,0|0,0,0]=2 226 B5R1.3 ClCC1CO1 2825444 [0,1,0,1,0,0|0,0,0]=2 227 B5R1.3 N#CC1CC1 3630580 [0,1,0,1,0,0|1,0,0]=3 228 B5R1.3 OCC1CC1 1867144 [0,1,0,1,0,0|0,0,0]=2