0 B3R0.2 CB(O)O SY001105 [0,0,0,0,0,0|3,0,1]=4 1 B3R0.2 CC(=O)O SY001386 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.2 CC(=O)O SY004125 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.2 CC(=O)[O-] SY001322 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 CC(=O)[O-] SY010327 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 CC(=O)[O-] SY011498 [0,0,0,0,0,0|2,0,0]=2 6 B3R0.2 CC(=O)[O-] SY011745 [0,0,0,0,0,0|2,0,0]=2 7 B3R0.2 CC(=O)[O-] SY011809 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.2 CC(=O)[O-] SY011846 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.2 CC(=O)[O-] SY013501 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.2 CC(=O)[O-] SY027391 [0,0,0,0,0,0|2,0,0]=2 11 B3R0.2 CC(=O)[O-] SY045651 [0,0,0,0,0,0|2,0,0]=2 12 B3R0.2 CC(=O)[O-] SY067119 [0,0,0,0,0,0|2,0,0]=2 13 B3R0.2 CC(=O)[O-] SY256925 [0,0,0,0,0,0|2,0,0]=2 14 B3R0.2 CC(=O)[O-] SY257453 [0,0,0,0,0,0|2,0,0]=2 15 B3R0.2 CC(C)N SY107348 [0,0,0,0,0,0|2,0,1]=3 16 B3R0.2 CN(C)C SY010907 [0,0,0,0,0,0|4,0,0]=4 17 B3R0.2 CS(=O)[O-] SY002584 [0,0,0,0,0,0|3,0,0]=3 18 B3R0.2 C[S+](C)C SY011509 [0,0,0,0,0,0|4,0,0]=4 19 B3R0.2 C[S+](C)C SY019516 [0,0,0,0,0,0|4,0,0]=4 20 B3R0.2 Cl[Bi](Cl)Cl SY010298 [0,0,0,0,0,0|4,0,0]=4 21 B3R0.2 Cl[Gd](Cl)Cl SY061124 [0,0,0,0,0,0|4,0,0]=4 22 B3R0.2 Cl[Ho](Cl)Cl SY061123 [0,0,0,0,0,0|4,0,0]=4 23 B3R0.2 Cl[Ir](Cl)Cl SY007840 [0,0,0,0,0,0|4,0,0]=4 24 B3R0.2 Cl[Nd](Cl)Cl SY061229 [0,0,0,0,0,0|4,0,0]=4 25 B3R0.2 Cl[Rh](Cl)Cl SY113105 [0,0,0,0,0,0|4,0,0]=4 26 B3R0.2 N=C(N)Cl SY009310 [0,0,0,0,0,0|1,0,1]=2 27 B3R0.2 N=C(N)N SY003172 [0,0,0,0,0,0|1,0,0]=1 28 B3R0.2 O=C([O-])[O-] SY001250 [0,0,0,0,0,0|2,0,0]=2 29 B3R0.2 O=C([O-])[O-] SY009169 [0,0,0,0,0,0|2,0,0]=2 30 B3R0.2 O=C([O-])[O-] SY011697 [0,0,0,0,0,0|2,0,0]=2 31 B3R0.2 O=C([O-])[O-] SY011713 [0,0,0,0,0,0|2,0,0]=2 32 B3R0.2 O=C([O-])[O-] SY011779 [0,0,0,0,0,0|2,0,0]=2 33 B3R0.2 O=C([O-])[O-] SY011799 [0,0,0,0,0,0|2,0,0]=2 34 B3R0.2 O=C([O-])[O-] SY011844 [0,0,0,0,0,0|2,0,0]=2 35 B3R0.2 O=C([O-])[O-] SY066643 [0,0,0,0,0,0|2,0,0]=2 36 B3R0.2 O=C([O-])[O-] SY076666 [0,0,0,0,0,0|2,0,0]=2 37 B3R0.2 O=C([O-])[O-] SY274515 [0,0,0,0,0,0|2,0,0]=2 38 B3R0.2 O=C([O-])[O-] SY288394 [0,0,0,0,0,0|2,0,0]=2 39 B3R0.2 O=[N+]([O-])[O-] SY061250 [0,0,0,0,0,0|3,0,0]=3 40 B3R0.2 O=[N+]([O-])[O-] SY061261 [0,0,0,0,0,0|3,0,0]=3 41 B3R0.2 O=[Ti]([O-])[O-] SY061132 [0,0,0,0,0,0|3,0,0]=3 42 B3R0.2 O=[Ti]([O-])[O-] SY284367 [0,0,0,0,0,0|3,0,0]=3 43 B3R0.2 O=[Ti]([O-])[O-] SY284368 [0,0,0,0,0,0|3,0,0]=3 44 B3R0.2 O=[V](=O)[O-] SY106462 [0,0,0,0,0,0|3,0,0]=3 45 B3R0.2 P(C)(C)=O SY009874 [0,0,0,0,0,0|3,0,0]=3 46 B3R0.2 P(C)(C)=O SY237149 [0,0,0,0,0,0|3,0,0]=3 47 B2R0.1 C=NO SY022552 [1,0,0,0,0,0|2,0,1]=4 48 B2R0.1 CC#N SY009905 [1,0,0,0,0,0|1,0,2]=4 49 B2R0.1 CNN SY114943 [1,0,0,0,0,0|2,0,0]=3 50 B2R0.1 CNO SY013476 [1,0,0,0,0,0|2,0,1]=4 51 B2R0.1 Cl[Pt]Cl SY011160 [1,0,0,0,0,0|3,0,0]=4 52 B2R0.1 Cl[Pt]Cl SY062001 [1,0,0,0,0,0|3,0,0]=4 53 B2R0.1 FCI SY274057 [1,0,0,0,0,0|2,0,1]=4 54 B2R0.1 I[Ca]I SY069679 [1,0,0,0,0,0|3,0,0]=4 55 B2R0.1 I[Co]I SY073177 [1,0,0,0,0,0|3,0,0]=4 56 B2R0.1 I[Pt]I SY296016 [1,0,0,0,0,0|3,0,0]=4 57 B2R0.1 N#C[O-] SY006099 [1,0,0,0,0,0|0,0,3]=4 58 B2R0.1 N=CN SY007749 [1,0,0,0,0,0|0,0,1]=2 59 B2R0.1 NCN SY106478 [1,0,0,0,0,0|0,0,1]=2 60 B2R0.1 O=C[O-] SY027875 [1,0,0,0,0,0|1,0,0]=2 61 B2R0.1 O=N[O-] SY010058 [1,0,0,0,0,0|2,0,0]=3 62 B2R0.1 O=[Ru]=O SY009293 [1,0,0,0,0,0|2,0,0]=3 63 B2R0.1 O=[Ru]=O SY010110 [1,0,0,0,0,0|2,0,0]=3 64 B2R0.1 O[Pd]O SY001180 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 C#CC(C)N SY022798 [0,1,0,0,0,0|2,0,1]=4 66 B4R0.1 C#CC(N)=O SY060790 [0,1,0,0,0,0|1,0,0]=2 67 B4R0.1 C=C(Br)CN SY122662 [0,1,0,0,0,0|2,0,0]=3 68 B4R0.1 C=C(Br)CN SY264242 [0,1,0,0,0,0|2,0,0]=3 69 B4R0.1 C=C(Br)CO SY043202 [0,1,0,0,0,0|2,0,1]=4 70 B4R0.1 C=C(C)CN SY018445 [0,1,0,0,0,0|2,0,0]=3 71 B4R0.1 C=C[C@H](C)N SY245785 [0,1,0,0,0,0|2,0,1]=4 72 B4R0.1 CC(=N)NN SY188423 [0,1,0,0,0,0|1,0,1]=3 73 B4R0.1 CC(=O)CN SY018511 [0,1,0,0,0,0|1,0,0]=2 74 B4R0.1 CC(C)NN SY008422 [0,1,0,0,0,0|2,0,1]=4 75 B4R0.1 CC(C)NO SY059927 [0,1,0,0,0,0|2,0,1]=4 76 B4R0.1 CC(C)ON SY019006 [0,1,0,0,0,0|2,0,1]=4 77 B4R0.1 CC(N)CBr SY268996 [0,1,0,0,0,0|2,0,1]=4 78 B4R0.1 CC(N)CF SY045872 [0,1,0,0,0,0|2,0,1]=4 79 B4R0.1 CCC(=N)N SY018521 [0,1,0,0,0,0|1,0,1]=3 80 B4R0.1 CCC(N)=O SY048276 [0,1,0,0,0,0|1,0,0]=2 81 B4R0.1 CCS(=O)[O-] SY005659 [0,1,0,0,0,0|3,0,0]=4 82 B4R0.1 CC[C@H](C)N SY059203 [0,1,0,0,0,0|2,0,1]=4 83 B4R0.1 CNC(N)=O SY018863 [0,1,0,0,0,0|0,0,0]=1 84 B4R0.1 COC(=N)N SY021749 [0,1,0,0,0,0|0,0,2]=3 85 B4R0.1 COC(=N)N SY023512 [0,1,0,0,0,0|0,0,2]=3 86 B4R0.1 CSC(=N)N SY001378 [0,1,0,0,0,0|0,1,1]=3 87 B4R0.1 C[C@@H](N)CF SY044783 [0,1,0,0,0,0|2,0,1]=4 88 B4R0.1 C[C@@H](O)CN SY002691 [0,1,0,0,0,0|1,0,2]=4 89 B4R0.1 C[C@H](N)CF SY044781 [0,1,0,0,0,0|2,0,1]=4 90 B4R0.1 C\C(Cl)=N\O SY307714 [0,1,0,0,0,0|2,0,1]=4 91 B4R0.1 C\C(N)=N\O SY011082 [0,1,0,0,0,0|1,0,1]=3 92 B4R0.1 N=C(N)CCl SY116175 [0,1,0,0,0,0|1,0,1]=3 93 B4R0.1 N=C(N)NN SY057364 [0,1,0,0,0,0|1,0,0]=2 94 B4R0.1 NC(=S)CF SY153543 [0,1,0,0,0,0|1,1,0]=3 95 B4R0.1 NCC(F)F SY013766 [0,1,0,0,0,0|2,0,1]=4 96 B4R0.1 NCC(N)=O SY003860 [0,1,0,0,0,0|0,0,0]=1 97 B4R0.1 NCC(N)=O SY104505 [0,1,0,0,0,0|0,0,0]=1 98 B4R0.1 NNC(N)=S SY001634 [0,1,0,0,0,0|0,1,0]=2 99 B4R0.1 O=C([O-])CI SY066613 [0,1,0,0,0,0|2,0,0]=3 100 B4R0.1 ON=C(Br)Br SY007120 [0,1,0,0,0,0|2,0,1]=4 101 B4R0.3 CS(=O)(=O)[O-] SY003606 [0,1,0,0,0,0|3,0,0]=4 102 B4R0.3 CS(C)(=N)=O SY037343 [0,1,0,0,0,0|2,0,1]=4 103 B4R0.3 CS(N)(=O)=O SY001366 [0,1,0,0,0,0|2,0,0]=3 104 B4R0.3 C[S+](C)(C)=O SY002188 [0,1,0,0,0,0|3,0,0]=4 105 B4R0.3 C[S+](C)(C)=O SY036350 [0,1,0,0,0,0|3,0,0]=4 106 B4R0.3 C[S+](C)(C)=O SY039178 [0,1,0,0,0,0|3,0,0]=4 107 B4R0.3 NS(=O)(=O)Cl SY006415 [0,1,0,0,0,0|2,0,0]=3 108 B4R0.3 NS(N)(=O)=O SY004124 [0,1,0,0,0,0|1,0,0]=2 109 B4R0.3 O=P([O-])(F)F SY251926 [0,1,0,0,0,0|3,0,0]=4 110 B4R0.3 O=P([O-])([O-])F SY061225 [0,1,0,0,0,0|3,0,0]=4 111 B4R0.3 O=P([O-])([O-])O SY010082 [0,1,0,0,0,0|3,0,0]=4 112 B4R0.3 O=P([O-])([O-])[O-] SY066671 [0,1,0,0,0,0|3,0,0]=4 113 B4R0.3 O=S(=O)([O-])[O-] SY009915 [0,1,0,0,0,0|3,0,0]=4 114 B4R0.3 O=S(=O)([O-])[O-] SY011700 [0,1,0,0,0,0|3,0,0]=4 115 B4R0.3 O=S(=O)([O-])[O-] SY011749 [0,1,0,0,0,0|3,0,0]=4 116 B4R0.3 O=S(=O)([O-])[O-] SY011800 [0,1,0,0,0,0|3,0,0]=4 117 B4R0.3 O=S(=O)([O-])[O-] SY011843 [0,1,0,0,0,0|3,0,0]=4 118 B4R0.3 O=[Cr](=O)([O-])[O-] SY061436 [0,1,0,0,0,0|3,0,0]=4 119 B4R1.2 O=C1CC1 SY037762 [0,0,0,1,0,0|2,0,0]=3 120 B1R0.1 Br[Ag] SY059381 [2,0,0,0,0,0|2,0,0]=4 121 B1R0.1 CN SY236298 [2,0,0,0,0,0|0,0,1]=3 122 B1R0.1 [C-]#[O+] SY009926 [2,0,0,0,0,0|0,0,2]=4 123 B3R0.1 CCON SY009566 [1,1,0,0,0,0|1,0,1]=4 124 B3R0.1 CNOC SY001763 [1,1,0,0,0,0|2,0,0]=4 125 B3R0.1 NCCF SY009337 [1,1,0,0,0,0|1,0,1]=4 126 B3R0.1 NCCI SY155633 [1,1,0,0,0,0|1,0,1]=4 127 B3R0.1 N\C=N\O SY086195 [1,1,0,0,0,0|0,0,1]=3 128 B5R0.1 C#CCC(=O)O SY040154 [0,2,0,0,0,0|2,0,0]=4 129 B5R0.1 C=CNC(N)=O SY159600 [0,2,0,0,0,0|0,0,0]=2 130 B5R0.1 CC#CC(C)=O SY262884 [0,2,0,0,0,0|2,0,0]=4 131 B5R0.1 CC(=O)CCN SY263173 [0,2,0,0,0,0|1,0,0]=3 132 B5R0.1 CC(=O)CCO SY002849 [0,2,0,0,0,0|2,0,0]=4 133 B5R0.1 CC(=O)NCO SY047960 [0,2,0,0,0,0|1,0,0]=3 134 B5R0.1 CC(=O)OCBr SY051438 [0,2,0,0,0,0|2,0,0]=4 135 B5R0.1 CC(=O)\C=N/O SY112549 [0,2,0,0,0,0|1,0,1]=4 136 B5R0.1 CCNC(C)=O SY016499 [0,2,0,0,0,0|1,0,0]=3 137 B5R0.1 CNCC(=O)O SY001630 [0,2,0,0,0,0|1,0,0]=3 138 B5R0.1 CNCC(N)=O SY059741 [0,2,0,0,0,0|0,0,0]=2 139 B5R0.1 COCC(=N)N SY019943 [0,2,0,0,0,0|0,0,2]=4 140 B5R0.1 CSCC(N)=O SY040648 [0,2,0,0,0,0|1,0,0]=3 141 B5R0.1 NC(=O)CCBr SY014886 [0,2,0,0,0,0|1,0,0]=3 142 B5R0.1 NCCC(N)=O SY024863 [0,2,0,0,0,0|0,0,0]=2 143 B5R0.1 NCCC(N)=O SY101590 [0,2,0,0,0,0|0,0,0]=2 144 B5R0.1 NCC[N+](=O)[O-] SY279282 [0,2,0,0,0,0|2,0,0]=4 145 B5R0.1 O=C(O)CCF SY008508 [0,2,0,0,0,0|2,0,0]=4 146 B5R0.1 O=C(O)CCO SY003982 [0,2,0,0,0,0|2,0,0]=4 147 B5R0.1 O=C(O)\C=C\Br SY026854 [0,2,0,0,0,0|2,0,0]=4 148 B5R0.3 C=CC(=O)NC SY057550 [0,2,0,0,0,0|1,0,0]=3 149 B5R0.3 CNC(=N)NC SY270827 [0,2,0,0,0,0|1,0,0]=3 150 B5R0.3 CNC(=O)CBr SY106596 [0,2,0,0,0,0|1,0,0]=3 151 B5R0.3 CNC(=O)CCl SY003250 [0,2,0,0,0,0|1,0,0]=3 152 B5R0.3 CNC(=O)CN SY024913 [0,2,0,0,0,0|0,0,0]=2 153 B5R0.3 CNC(=O)CN SY066423 [0,2,0,0,0,0|0,0,0]=2 154 B5R0.3 CNC(=O)NC SY004507 [0,2,0,0,0,0|0,0,0]=2 155 B5R0.3 COC(=O)CN SY001589 [0,2,0,0,0,0|1,0,0]=3 156 B5R0.3 COC(=O)CO SY003097 [0,2,0,0,0,0|2,0,0]=4 157 B5R0.3 CSC(=N)NN SY023604 [0,2,0,0,0,0|0,1,1]=4 158 B5R0.3 N=C(NN)NN SY035575 [0,2,0,0,0,0|1,0,0]=3 159 B5R0.3 NCC(O)CN SY013661 [0,2,0,0,0,0|0,0,2]=4 160 B5R0.3 NNC(=O)CO SY059283 [0,2,0,0,0,0|1,0,0]=3 161 B5R0.3 O=C(CO)CO SY038299 [0,2,0,0,0,0|2,0,0]=4 162 B5R0.4 CCS(N)(=O)=O SY016774 [0,2,0,0,0,0|2,0,0]=4 163 B5R0.4 CNS(=O)(=O)Cl SY004236 [0,2,0,0,0,0|2,0,0]=4 164 B5R0.4 CNS(C)(=O)=O SY004768 [0,2,0,0,0,0|2,0,0]=4 165 B5R0.4 CNS(N)(=O)=O SY020910 [0,2,0,0,0,0|1,0,0]=3 166 B5R0.4 NCP(=O)(O)O SY011283 [0,2,0,0,0,0|2,0,0]=4 167 B5R0.5 C=C(C)C(N)=O SY010261 [0,2,0,0,0,0|1,0,0]=3 168 B5R0.5 C=C(F)C(=O)Cl SY039966 [0,2,0,0,0,0|2,0,0]=4 169 B5R0.5 C=C(F)C(=O)O SY021247 [0,2,0,0,0,0|2,0,0]=4 170 B5R0.5 CC(=O)C(F)F SY013768 [0,2,0,0,0,0|2,0,0]=4 171 B5R0.5 CC(Br)C(N)=O SY106825 [0,2,0,0,0,0|1,0,0]=3 172 B5R0.5 CC(C)C(=N)N SY024838 [0,2,0,0,0,0|1,0,1]=4 173 B5R0.5 CC(C)C(N)=O SY015332 [0,2,0,0,0,0|1,0,0]=3 174 B5R0.5 CC(N)C(=O)O SY005245 [0,2,0,0,0,0|1,0,0]=3 175 B5R0.5 CC(N)C(N)=O SY012823 [0,2,0,0,0,0|0,0,0]=2 176 B5R0.5 CC(N)C(N)=O SY027188 [0,2,0,0,0,0|0,0,0]=2 177 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [0,2,0,0,0,0|2,0,0]=4 178 B5R0.5 C[C@@H](N)C(=O)O SY002277 [0,2,0,0,0,0|1,0,0]=3 179 B5R0.5 C[C@@H](N)C(N)=O SY030965 [0,2,0,0,0,0|0,0,0]=2 180 B5R0.5 C[C@@H](N)C(N)=O SY111070 [0,2,0,0,0,0|0,0,0]=2 181 B5R0.5 C[C@@H](O)C(N)=O SY022608 [0,2,0,0,0,0|1,0,0]=3 182 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [0,2,0,0,0,0|2,0,0]=4 183 B5R0.5 C[C@H](N)C(N)=O SY031439 [0,2,0,0,0,0|0,0,0]=2 184 B5R0.5 NC(=S)C(N)=S SY049427 [0,2,0,0,0,0|0,1,0]=3 185 B5R0.5 O=C(O)C(F)Br SY040308 [0,2,0,0,0,0|2,0,0]=4 186 B5R0.5 O=C(O)C(F)Cl SY275169 [0,2,0,0,0,0|2,0,0]=4 187 B5R0.5 O=C(O)[C@@H](F)Cl SY276751 [0,2,0,0,0,0|2,0,0]=4 188 B5R0.5 O=C(O)[C@H](F)Cl SY276752 [0,2,0,0,0,0|2,0,0]=4 189 B5R1.2 NC1CNC1 SY033623 [0,1,0,1,0,0|1,0,1]=4 190 B5R1.2 O=C1CNC1 SY027144 [0,1,0,1,0,0|1,0,0]=3 191 B5R1.2 O=C1COC1 SY003915 [0,1,0,1,0,0|2,0,0]=4 192 B5R1.4 NC1CC1N SY249366 [0,1,0,1,0,0|1,0,1]=4 193 B5R1.4 N[C@@H]1C[C@H]1N SY253855 [0,1,0,1,0,0|1,0,1]=4 194 B5R1.4 N[C@H]1C[C@H]1N SY249367 [0,1,0,1,0,0|1,0,1]=4