0 B4R0.1 C#CC(C)N SY022798 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.1 C=C(Br)CN SY122662 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C=C(Br)CN SY264242 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C=C(Br)CO SY043202 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C=C(C)CN SY018445 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C=C[C@H](C)N SY245785 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 CC(=N)NN SY188423 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC(=O)CN SY018511 [0,0,0,0,0,0|1,0,2]=3 8 B4R0.1 CC(C)NN SY008422 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.1 CC(C)NO SY059927 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 CC(C)ON SY019006 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 CC(N)CBr SY268996 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 CC(N)CF SY045872 [0,0,0,0,0,0|2,0,0]=2 13 B4R0.1 CC(S)CO SY195125 [0,0,0,0,0,0|1,1,0]=2 14 B4R0.1 CCB(O)O SY004385 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.1 CCC(=N)N SY018521 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 CCC(N)=O SY048276 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 CCS(=O)[O-] SY005659 [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 CC[C@H](C)N SY059203 [0,0,0,0,0,0|1,0,0]=1 19 B4R0.1 CNC(N)=O SY018863 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 COC(=N)N SY021749 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 COC(=N)N SY023512 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 CSC(=N)N SY001378 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 C[C@@H](Cl)CO SY240135 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 C[C@@H](N)CF SY044783 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.1 C[C@@H](O)CN SY002691 [0,0,0,0,0,0|1,0,0]=1 26 B4R0.1 C[C@@H](O)CO SY003769 [0,0,0,0,0,0|1,0,0]=1 27 B4R0.1 C[C@H](N)CF SY044781 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 C[C@H](O)CO SY003770 [0,0,0,0,0,0|1,0,0]=1 29 B4R0.1 C\C(Cl)=N\O SY307714 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 C\C(N)=N\O SY011082 [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 FC(F)CI SY027169 [0,0,0,0,0,0|3,0,0]=3 32 B4R0.1 N=C(N)CCl SY116175 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 NC(=S)CF SY153543 [0,0,0,0,0,0|2,1,1]=4 34 B4R0.1 NCC(F)F SY013766 [0,0,0,0,0,0|3,0,0]=3 35 B4R0.1 NCC(N)=O SY003860 [0,0,0,0,0,0|2,0,2]=4 36 B4R0.1 NCC(N)=O SY104505 [0,0,0,0,0,0|2,0,2]=4 37 B4R0.1 O=C([O-])CI SY066613 [0,0,0,0,0,0|2,0,2]=4 38 B3R0.1 CCON SY009566 [1,0,0,0,0,0|2,0,0]=3 39 B3R0.1 CNOC SY001763 [1,0,0,0,0,0|2,0,0]=3 40 B3R0.1 COCBr SY029084 [1,0,0,0,0,0|2,0,0]=3 41 B3R0.1 C[Se][Se]C SY048201 [1,0,0,0,0,0|2,0,0]=3 42 B3R0.1 FCCI SY024380 [1,0,0,0,0,0|2,0,0]=3 43 B3R0.1 ICCI SY045649 [1,0,0,0,0,0|2,0,0]=3 44 B3R0.1 NCCF SY009337 [1,0,0,0,0,0|2,0,0]=3 45 B3R0.1 NCCI SY155633 [1,0,0,0,0,0|2,0,0]=3 46 B3R0.1 N\C=N\O SY086195 [1,0,0,0,0,0|2,0,1]=4 47 B3R0.2 CB(O)O SY001105 [1,0,0,0,0,0|2,0,0]=3 48 B3R0.2 CC(=O)O SY001386 [1,0,0,0,0,0|1,0,1]=3 49 B3R0.2 CC(=O)O SY004125 [1,0,0,0,0,0|1,0,1]=3 50 B3R0.2 CC(=O)[O-] SY001322 [1,0,0,0,0,0|1,0,2]=4 51 B3R0.2 CC(=O)[O-] SY010327 [1,0,0,0,0,0|1,0,2]=4 52 B3R0.2 CC(=O)[O-] SY011498 [1,0,0,0,0,0|1,0,2]=4 53 B3R0.2 CC(=O)[O-] SY011745 [1,0,0,0,0,0|1,0,2]=4 54 B3R0.2 CC(=O)[O-] SY011809 [1,0,0,0,0,0|1,0,2]=4 55 B3R0.2 CC(=O)[O-] SY011846 [1,0,0,0,0,0|1,0,2]=4 56 B3R0.2 CC(=O)[O-] SY013501 [1,0,0,0,0,0|1,0,2]=4 57 B3R0.2 CC(=O)[O-] SY027391 [1,0,0,0,0,0|1,0,2]=4 58 B3R0.2 CC(=O)[O-] SY045651 [1,0,0,0,0,0|1,0,2]=4 59 B3R0.2 CC(=O)[O-] SY067119 [1,0,0,0,0,0|1,0,2]=4 60 B3R0.2 CC(=O)[O-] SY256925 [1,0,0,0,0,0|1,0,2]=4 61 B3R0.2 CC(=O)[O-] SY257453 [1,0,0,0,0,0|1,0,2]=4 62 B3R0.2 CC(C)N SY107348 [1,0,0,0,0,0|1,0,0]=2 63 B3R0.2 CN(C)C SY010907 [1,0,0,0,0,0|2,0,0]=3 64 B3R0.2 CS(=O)[O-] SY002584 [1,0,0,0,0,0|2,0,1]=4 65 B3R0.2 C[S+](C)C SY011509 [1,0,0,0,0,0|2,0,0]=3 66 B3R0.2 C[S+](C)C SY019516 [1,0,0,0,0,0|2,0,0]=3 67 B3R0.2 P(C)(C)=O SY009874 [1,0,0,0,0,0|1,0,1]=3 68 B3R0.2 P(C)(C)=O SY237149 [1,0,0,0,0,0|1,0,1]=3 69 B5R0.1 C#CCC(=O)O SY040154 [0,1,0,0,0,0|1,0,2]=4 70 B5R0.1 CC#CC(C)=O SY262884 [0,1,0,0,0,0|0,0,3]=4 71 B5R0.1 CC(=O)CCN SY263173 [0,1,0,0,0,0|0,0,2]=3 72 B5R0.1 CC(=O)CCO SY002849 [0,1,0,0,0,0|0,0,2]=3 73 B5R0.1 CC(=O)NCO SY047960 [0,1,0,0,0,0|1,0,2]=4 74 B5R0.1 CC(=O)OCBr SY051438 [0,1,0,0,0,0|1,0,2]=4 75 B5R0.1 CC(C)CON SY013358 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.1 CC(C)N=[N+]=[N-] SY197245 [0,1,0,0,0,0|3,0,0]=4 77 B5R0.1 CC(I)=CCI SY237855 [0,1,0,0,0,0|1,0,2]=4 78 B5R0.1 CC(N)CCF SY299085 [0,1,0,0,0,0|1,0,0]=2 79 B5R0.1 CC(N)CCO SY030187 [0,1,0,0,0,0|1,0,0]=2 80 B5R0.1 CC(O)CCBr SY216789 [0,1,0,0,0,0|0,0,0]=1 81 B5R0.1 CCCB(O)O SY030878 [0,1,0,0,0,0|2,0,0]=3 82 B5R0.1 CCC[C@@H](C)O SY045083 [0,1,0,0,0,0|0,0,0]=1 83 B5R0.1 CCNC(C)=O SY016499 [0,1,0,0,0,0|0,0,2]=3 84 B5R0.1 CN(C)CC=O SY114927 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.1 CN(C)CCBr SY004492 [0,1,0,0,0,0|2,0,0]=3 86 B5R0.1 CN(C)CCI SY219257 [0,1,0,0,0,0|2,0,0]=3 87 B5R0.1 CN(C)CCI SY247759 [0,1,0,0,0,0|2,0,0]=3 88 B5R0.1 CN(C)CCI SY247769 [0,1,0,0,0,0|2,0,0]=3 89 B5R0.1 CNCC(=O)O SY001630 [0,1,0,0,0,0|1,0,1]=3 90 B5R0.1 CNCC(C)O SY083968 [0,1,0,0,0,0|0,0,0]=1 91 B5R0.1 CNCC(F)F SY181997 [0,1,0,0,0,0|2,0,0]=3 92 B5R0.1 CNCC(N)=O SY059741 [0,1,0,0,0,0|1,0,2]=4 93 B5R0.1 CNC[C@H](C)O SY131109 [0,1,0,0,0,0|0,0,0]=1 94 B5R0.1 COCC(=N)N SY019943 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.1 COCC(C)Br SY074290 [0,1,0,0,0,0|1,0,0]=2 96 B5R0.1 COC[C@@H](C)N SY034826 [0,1,0,0,0,0|1,0,0]=2 97 B5R0.1 COC[C@@H](C)N SY056838 [0,1,0,0,0,0|1,0,0]=2 98 B5R0.1 CSCC(N)=O SY040648 [0,1,0,0,0,0|1,0,2]=4 99 B5R0.1 CSCS(C)=O SY049552 [0,1,0,0,0,0|1,0,1]=3 100 B5R0.1 C[C@@H](O)CCO SY049450 [0,1,0,0,0,0|0,0,0]=1 101 B5R0.1 C[C@H](N)CC#N SY121969 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.1 C[C@H](N)CC#N SY294704 [0,1,0,0,0,0|1,0,1]=3 103 B5R0.1 C[C@H](N)CCO SY022986 [0,1,0,0,0,0|1,0,0]=2 104 B5R0.1 C\C(I)=C/CI SY237856 [0,1,0,0,0,0|1,0,2]=4 105 B5R0.1 C\C(I)=C\CI SY237854 [0,1,0,0,0,0|1,0,2]=4 106 B5R0.1 C\C(I)=C\CO SY246995 [0,1,0,0,0,0|1,0,2]=4 107 B5R0.1 C\C(I)=C\CO SY252919 [0,1,0,0,0,0|1,0,2]=4 108 B5R0.1 C\C=C\B(O)O SY027001 [0,1,0,0,0,0|2,0,1]=4 109 B5R0.1 NC(=O)CCBr SY014886 [0,1,0,0,0,0|1,0,2]=4 110 B5R0.1 NCCC(N)=O SY024863 [0,1,0,0,0,0|1,0,2]=4 111 B5R0.1 NCCC(N)=O SY101590 [0,1,0,0,0,0|1,0,2]=4 112 B5R0.1 NCC[N+](=O)[O-] SY279282 [0,1,0,0,0,0|2,0,1]=4 113 B5R0.1 O=C(O)CCF SY008508 [0,1,0,0,0,0|1,0,1]=3 114 B5R0.1 O=C(O)CCO SY003982 [0,1,0,0,0,0|1,0,1]=3 115 B5R0.1 O=[N+]([O-])CCO SY008757 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.3 C#CC(O)C#C SY263075 [0,1,0,0,0,0|0,0,3]=4 117 B5R0.3 C#C[C@H](C)OC SY282343 [0,1,0,0,0,0|0,0,2]=3 118 B5R0.3 C=C(CI)CI SY280389 [0,1,0,0,0,0|2,0,1]=4 119 B5R0.3 C=C(CO)CO SY009429 [0,1,0,0,0,0|1,0,2]=4 120 B5R0.3 C=C(OC)OC SY274566 [0,1,0,0,0,0|1,0,2]=4 121 B5R0.3 C=CC(C)ON SY039116 [0,1,0,0,0,0|0,0,2]=3 122 B5R0.3 C=CC(O)CO SY275096 [0,1,0,0,0,0|0,0,2]=3 123 B5R0.3 C=C[C@@H](N)CO SY211186 [0,1,0,0,0,0|1,0,2]=4 124 B5R0.3 C=C[C@H](N)CO SY101322 [0,1,0,0,0,0|1,0,2]=4 125 B5R0.3 CC(=CI)CI SY271392 [0,1,0,0,0,0|2,0,1]=4 126 B5R0.3 CC(CBr)CBr SY038831 [0,1,0,0,0,0|2,0,0]=3 127 B5R0.3 CC(CI)CI SY248411 [0,1,0,0,0,0|2,0,0]=3 128 B5R0.3 CCC(Br)CC SY050135 [0,1,0,0,0,0|1,0,0]=2 129 B5R0.3 CC[C@@H](N)CO SY049464 [0,1,0,0,0,0|1,0,0]=2 130 B5R0.3 CC[C@H](N)CF SY045883 [0,1,0,0,0,0|1,0,0]=2 131 B5R0.3 CNC(=N)NC SY270827 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.3 CNC(=O)CBr SY106596 [0,1,0,0,0,0|1,0,2]=4 133 B5R0.3 CNC(=O)CCl SY003250 [0,1,0,0,0,0|1,0,2]=4 134 B5R0.3 CNC(=O)CN SY024913 [0,1,0,0,0,0|1,0,2]=4 135 B5R0.3 CNC(=O)CN SY066423 [0,1,0,0,0,0|1,0,2]=4 136 B5R0.3 CNC(=O)NC SY004507 [0,1,0,0,0,0|1,0,2]=4 137 B5R0.3 CNC(C)C#N SY019549 [0,1,0,0,0,0|2,0,0]=3 138 B5R0.3 CNC(C)CO SY082195 [0,1,0,0,0,0|1,0,0]=2 139 B5R0.3 COC(=O)CN SY001589 [0,1,0,0,0,0|1,0,2]=4 140 B5R0.3 COC(=O)CO SY003097 [0,1,0,0,0,0|1,0,2]=4 141 B5R0.3 COC(C)CBr SY298794 [0,1,0,0,0,0|1,0,0]=2 142 B5R0.3 CO[C@@H](C)CN SY114788 [0,1,0,0,0,0|1,0,0]=2 143 B5R0.3 C\C(=C/I)CO SY270524 [0,1,0,0,0,0|1,0,2]=4 144 B5R0.3 C\C(=C\I)CI SY248780 [0,1,0,0,0,0|2,0,1]=4 145 B5R0.3 FCC(I)CF SY249443 [0,1,0,0,0,0|2,0,0]=3 146 B5R0.3 NCC(Br)CBr SY006726 [0,1,0,0,0,0|2,0,0]=3 147 B5R0.3 NCC(F)CO SY260924 [0,1,0,0,0,0|2,0,0]=3 148 B5R0.3 NCC(O)CN SY013661 [0,1,0,0,0,0|1,0,0]=2 149 B5R0.3 NC[C@@H](O)CO SY008127 [0,1,0,0,0,0|1,0,0]=2 150 B5R0.3 NC[C@H](O)CBr SY294054 [0,1,0,0,0,0|1,0,0]=2 151 B5R0.3 NC[C@H](O)CCl SY060396 [0,1,0,0,0,0|1,0,0]=2 152 B5R0.3 O=C(CO)CO SY038299 [0,1,0,0,0,0|1,0,2]=4 153 B5R0.3 OC(CBr)CBr SY012889 [0,1,0,0,0,0|1,0,0]=2 154 B5R0.4 CC(C)(Br)C=O SY251082 [0,1,0,0,0,0|2,0,1]=4 155 B5R0.4 CC(C)(C)CCl SY048171 [0,1,0,0,0,0|2,0,0]=3 156 B5R0.4 CC(C)(C)NO SY036171 [0,1,0,0,0,0|3,0,0]=4 157 B5R0.4 CC(C)(C)ON SY025901 [0,1,0,0,0,0|3,0,0]=4 158 B5R0.4 CC(C)(F)CBr SY027377 [0,1,0,0,0,0|2,0,0]=3 159 B5R0.4 CC(C)(F)CI SY028245 [0,1,0,0,0,0|2,0,0]=3 160 B5R0.4 CC(C)(F)CO SY029466 [0,1,0,0,0,0|2,0,0]=3 161 B5R0.4 CC(C)(N)C#N SY046540 [0,1,0,0,0,0|2,0,1]=4 162 B5R0.4 CC(C)(O)CBr SY236333 [0,1,0,0,0,0|1,0,0]=2 163 B5R0.4 CC(C)(O)CN SY022204 [0,1,0,0,0,0|1,0,0]=2 164 B5R0.4 CC(C)(O)CO SY107922 [0,1,0,0,0,0|1,0,0]=2 165 B5R0.4 CC(F)(F)CN SY029653 [0,1,0,0,0,0|2,0,0]=3 166 B5R0.4 CC(F)(F)CO SY029658 [0,1,0,0,0,0|2,0,0]=3 167 B5R0.4 CCS(=O)(=O)O SY036762 [0,1,0,0,0,0|2,0,0]=3 168 B5R0.4 CCS(N)(=O)=O SY016774 [0,1,0,0,0,0|2,0,1]=4 169 B5R0.4 CC[B-](F)(F)F SY113222 [0,1,0,0,0,0|3,0,0]=4 170 B5R0.4 CNS(C)(=O)=O SY004768 [0,1,0,0,0,0|2,0,1]=4 171 B5R0.4 CO[Si](C)(C)Cl SY249087 [0,1,0,0,0,0|2,1,0]=4 172 B5R0.4 FC(F)(F)CI SY001054 [0,1,0,0,0,0|3,0,0]=4 173 B5R0.4 NCC(F)(F)F SY017101 [0,1,0,0,0,0|3,0,0]=4 174 B5R0.4 NCP(=O)(O)O SY011283 [0,1,0,0,0,0|3,0,0]=4 175 B5R0.4 OCC(F)(F)Br SY216189 [0,1,0,0,0,0|3,0,0]=4 176 B5R0.5 C=C(C)C(C)O SY145959 [0,1,0,0,0,0|0,0,1]=2 177 B5R0.5 CC(=O)C(F)F SY013768 [0,1,0,0,0,0|1,0,2]=4 178 B5R0.5 CC(Br)C(N)=O SY106825 [0,1,0,0,0,0|1,0,2]=4 179 B5R0.5 CC(C)B(O)O SY006229 [0,1,0,0,0,0|2,0,0]=3 180 B5R0.5 CC(C)C(=N)N SY024838 [0,1,0,0,0,0|2,0,1]=4 181 B5R0.5 CC(C)C(I)I SY248412 [0,1,0,0,0,0|2,0,0]=3 182 B5R0.5 CC(C)C(N)=O SY015332 [0,1,0,0,0,0|1,0,2]=4 183 B5R0.5 CC(C)[C@H](C)N SY059202 [0,1,0,0,0,0|1,0,0]=2 184 B5R0.5 CC(N)C(=O)O SY005245 [0,1,0,0,0,0|1,0,1]=3 185 B5R0.5 CC(N)C(N)=O SY012823 [0,1,0,0,0,0|1,0,2]=4 186 B5R0.5 CC(N)C(N)=O SY027188 [0,1,0,0,0,0|1,0,2]=4 187 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [0,1,0,0,0,0|1,0,1]=3 188 B5R0.5 C[C@@H](N)C(=O)O SY002277 [0,1,0,0,0,0|1,0,1]=3 189 B5R0.5 C[C@@H](N)C(N)=O SY030965 [0,1,0,0,0,0|1,0,2]=4 190 B5R0.5 C[C@@H](N)C(N)=O SY111070 [0,1,0,0,0,0|1,0,2]=4 191 B5R0.5 C[C@@H](O)C(N)=O SY022608 [0,1,0,0,0,0|1,0,1]=3 192 B5R0.5 C[C@@H](O)[C@@H](C)O SY047189 [0,1,0,0,0,0|0,0,0]=1 193 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [0,1,0,0,0,0|1,0,1]=3 194 B5R0.5 C[C@H](N)C(N)=O SY031439 [0,1,0,0,0,0|1,0,2]=4 195 B5R0.5 C[C@H](O)[C@H](C)O SY057405 [0,1,0,0,0,0|0,0,0]=1 196 B5R0.5 O=C(O)C(F)Br SY040308 [0,1,0,0,0,0|2,0,1]=4 197 B5R0.5 O=C(O)C(F)Cl SY275169 [0,1,0,0,0,0|2,0,1]=4 198 B5R0.5 O=C(O)[C@@H](F)Cl SY276751 [0,1,0,0,0,0|2,0,1]=4 199 B5R0.5 O=C(O)[C@H](F)Cl SY276752 [0,1,0,0,0,0|2,0,1]=4 200 B5R1.2 BrC1CCC1 SY013810 [0,0,0,1,0,0|1,0,0]=2 201 B5R1.2 BrC1CNC1 SY097761 [0,0,0,1,0,0|2,0,0]=3 202 B5R1.2 CC1CCN1 SY099118 [0,0,0,1,0,0|1,0,0]=2 203 B5R1.2 CC1CNC1 SY056983 [0,0,0,1,0,0|2,0,0]=3 204 B5R1.2 C[C@@H]1CCN1 SY261901 [0,0,0,1,0,0|1,0,0]=2 205 B5R1.2 C[C@H]1CCN1 SY249704 [0,0,0,1,0,0|1,0,0]=2 206 B5R1.2 ClC1COC1 SY059296 [0,0,0,1,0,0|2,0,0]=3 207 B5R1.2 FC1CNC1 SY018074 [0,0,0,1,0,0|2,0,0]=3 208 B5R1.2 IC1CCC1 SY233989 [0,0,0,1,0,0|1,0,0]=2 209 B5R1.2 IC1COC1 SY009160 [0,0,0,1,0,0|2,0,0]=3 210 B5R1.2 NC1CCC1 SY013751 [0,0,0,1,0,0|1,0,0]=2 211 B5R1.2 NC1CNC1 SY033623 [0,0,0,1,0,0|2,0,0]=3 212 B5R1.2 NC1COC1 SY009105 [0,0,0,1,0,0|2,0,0]=3 213 B5R1.2 NC1CSC1 SY097616 [0,0,0,1,0,0|2,0,0]=3 214 B5R1.2 O=C1CNC1 SY027144 [0,0,0,1,0,0|1,0,2]=4 215 B5R1.2 O=C1COC1 SY003915 [0,0,0,1,0,0|1,0,2]=4 216 B5R1.2 OC1CNC1 SY002482 [0,0,0,1,0,0|1,0,0]=2 217 B5R1.2 OC1COC1 SY002910 [0,0,0,1,0,0|1,0,0]=2 218 B5R1.2 OC1CSC1 SY099721 [0,0,0,1,0,0|1,0,0]=2 219 B5R1.3 ICC1CC1 SY266775 [0,0,0,1,0,0|2,0,0]=3 220 B5R1.3 NNC1CC1 SY024161 [0,0,0,1,0,0|3,0,0]=4 221 B5R1.3 OC[C@@H]1CO1 SY013955 [0,0,0,1,0,0|1,0,0]=2 222 B5R1.3 OC[C@H]1CO1 SY031944 [0,0,0,1,0,0|1,0,0]=2 223 B5R1.4 C[C@@H]1O[C@H]1C SY224137 [0,0,0,1,0,0|0,0,0]=1 224 B5R1.4 NC1CC1F SY265040 [0,0,0,1,0,0|2,0,0]=3 225 B5R1.4 NC1CC1N SY249366 [0,0,0,1,0,0|2,0,0]=3 226 B5R1.4 N[C@@H]1C[C@H]1F SY259032 [0,0,0,1,0,0|2,0,0]=3 227 B5R1.4 N[C@@H]1C[C@H]1N SY253855 [0,0,0,1,0,0|2,0,0]=3 228 B5R1.4 N[C@H]1C[C@H]1F SY265042 [0,0,0,1,0,0|2,0,0]=3 229 B5R1.4 N[C@H]1C[C@H]1N SY249367 [0,0,0,1,0,0|2,0,0]=3 230 B5R1.5 CC1(N)CC1 SY029028 [0,0,0,1,0,0|1,0,0]=2 231 B5R1.5 CC1(O)CC1 SY022540 [0,0,0,1,0,0|0,0,0]=1 232 B5R1.5 NC1(O)CC1 SY278292 [0,0,0,1,0,0|1,0,0]=2 233 B5R1.5 O=S1(=O)CC1 SY268817 [0,0,0,1,0,0|2,0,1]=4 234 B2R0.1 C=NO SY022552 [2,0,0,0,0,0|1,0,1]=4 235 B2R0.1 CC#N SY009905 [2,0,0,0,0,0|1,0,1]=4 236 B2R0.1 CNN SY114943 [2,0,0,0,0,0|2,0,0]=4 237 B2R0.1 CNO SY013476 [2,0,0,0,0,0|1,0,0]=3 238 B2R0.1 FCI SY274057 [2,0,0,0,0,0|2,0,0]=4 239 B2R0.1 NCN SY106478 [2,0,0,0,0,0|2,0,0]=4 240 B2R0.1 O[Pd]O SY001180 [2,0,0,0,0,0|2,0,0]=4 241 B4R0.2 BrCCCI SY288042 [1,1,0,0,0,0|1,0,0]=3 242 B4R0.2 BrCOCBr SY231337 [1,1,0,0,0,0|2,0,0]=4 243 B4R0.2 C#CCCI SY026540 [1,1,0,0,0,0|0,0,2]=4 244 B4R0.2 C#CCCN SY007229 [1,1,0,0,0,0|0,0,2]=4 245 B4R0.2 C=CCCN SY036713 [1,1,0,0,0,0|0,0,2]=4 246 B4R0.2 C=CCON SY029026 [1,1,0,0,0,0|0,0,2]=4 247 B4R0.2 CC=CC[Pd+2] SY070788 [1,1,0,0,0,0|0,0,2]=4 248 B4R0.2 CCCNN SY048075 [1,1,0,0,0,0|1,0,0]=3 249 B4R0.2 CCCON SY096737 [1,1,0,0,0,0|0,0,0]=2 250 B4R0.2 CCOC=N SY041120 [1,1,0,0,0,0|1,0,1]=4 251 B4R0.2 CNCC#N SY003939 [1,1,0,0,0,0|1,0,1]=4 252 B4R0.2 CNCCBr SY044997 [1,1,0,0,0,0|1,0,0]=3 253 B4R0.2 CNCCF SY122542 [1,1,0,0,0,0|1,0,0]=3 254 B4R0.2 CNCCN SY023647 [1,1,0,0,0,0|1,0,0]=3 255 B4R0.2 COCC#N SY003878 [1,1,0,0,0,0|1,0,1]=4 256 B4R0.2 COCCI SY248715 [1,1,0,0,0,0|1,0,0]=3 257 B4R0.2 ClCCCI SY031611 [1,1,0,0,0,0|1,0,0]=3 258 B4R0.2 FCCCI SY025148 [1,1,0,0,0,0|1,0,0]=3 259 B4R0.2 ICCCI SY045006 [1,1,0,0,0,0|1,0,0]=3 260 B4R0.2 N#CCCO SY005485 [1,1,0,0,0,0|0,0,1]=3 261 B4R0.2 NCCCBr SY008325 [1,1,0,0,0,0|1,0,0]=3 262 B4R0.2 NCCCCl SY001694 [1,1,0,0,0,0|1,0,0]=3 263 B4R0.2 NCCCI SY154270 [1,1,0,0,0,0|1,0,0]=3 264 B4R0.2 NOCCO SY007135 [1,1,0,0,0,0|1,0,0]=3 265 B4R0.2 OCCCBr SY001898 [1,1,0,0,0,0|0,0,0]=2 266 B4R0.2 OCCCF SY033053 [1,1,0,0,0,0|0,0,0]=2 267 B4R0.2 OCCCI SY016401 [1,1,0,0,0,0|0,0,0]=2 268 B4R0.3 CS(C)(=N)=O SY037343 [1,1,0,0,0,0|1,0,1]=4 269 B4R0.3 C[N+](C)(C)C SY037155 [1,1,0,0,0,0|2,0,0]=4 270 B4R0.3 C[N+](C)(C)[O-] SY010773 [1,1,0,0,0,0|1,0,1]=4 271 B4R0.3 C[S+](C)(C)=O SY002188 [1,1,0,0,0,0|1,0,1]=4 272 B4R0.3 C[S+](C)(C)=O SY036350 [1,1,0,0,0,0|1,0,1]=4 273 B4R0.3 C[S+](C)(C)=O SY039178 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.1 C=CC(O)CCC SY048915 [0,2,0,0,0,0|0,0,1]=3 275 B6R0.1 C=CC[C@H](C)C=O SY018347 [0,2,0,0,0,0|0,0,2]=4 276 B6R0.1 CCC(=O)CC#N SY004535 [0,2,0,0,0,0|0,0,2]=4 277 B6R0.1 CCC(=O)COC SY190908 [0,2,0,0,0,0|0,0,2]=4 278 B6R0.1 CCCC(C)CN SY271841 [0,2,0,0,0,0|1,0,0]=3 279 B6R0.1 CCCC(O)CO SY032914 [0,2,0,0,0,0|0,0,0]=2 280 B6R0.1 CCC[C@@H](N)CF SY045881 [0,2,0,0,0,0|1,0,0]=3 281 B6R0.1 CCC[C@@H](N)CO SY038521 [0,2,0,0,0,0|1,0,0]=3 282 B6R0.1 CCC[C@H](N)CF SY045882 [0,2,0,0,0,0|1,0,0]=3 283 B6R0.1 CCC[C@H](N)CO SY017944 [0,2,0,0,0,0|1,0,0]=3 284 B6R0.1 CCNC(=O)CCl SY024489 [0,2,0,0,0,0|0,0,2]=4 285 B6R0.1 CCOC(=N)CCl SY026914 [0,2,0,0,0,0|1,0,1]=4 286 B6R0.1 CCOC(=O)CN SY002226 [0,2,0,0,0,0|0,0,2]=4 287 B6R0.1 CCOC(=O)CO SY002762 [0,2,0,0,0,0|0,0,2]=4 288 B6R0.1 CCOC(=S)SC SY261921 [0,2,0,0,0,0|0,1,1]=4 289 B6R0.1 CN(C=O)CCO SY038247 [0,2,0,0,0,0|1,0,1]=4 290 B6R0.1 CNC(=O)CCO SY083761 [0,2,0,0,0,0|0,0,2]=4 291 B6R0.1 CNC[C@@H](O)CO SY294795 [0,2,0,0,0,0|0,0,0]=2 292 B6R0.1 COC(=O)CCBr SY002337 [0,2,0,0,0,0|0,0,2]=4 293 B6R0.1 COC(=O)CCN SY004831 [0,2,0,0,0,0|0,0,2]=4 294 B6R0.1 COC(=O)CCO SY008913 [0,2,0,0,0,0|0,0,2]=4 295 B6R0.1 COC[C@@H](O)CN SY236677 [0,2,0,0,0,0|0,0,0]=2 296 B6R0.1 COC[C@H](O)CN SY199877 [0,2,0,0,0,0|0,0,0]=2 297 B6R0.1 N#CC[C@@H](O)CCl SY037767 [0,2,0,0,0,0|0,0,1]=3 298 B6R0.1 N#CC[C@H](O)CCl SY037768 [0,2,0,0,0,0|0,0,1]=3 299 B6R0.1 NCCC(O)CO SY260308 [0,2,0,0,0,0|0,0,0]=2 300 B6R0.1 O=C(CCCl)NO SY159080 [0,2,0,0,0,0|1,0,1]=4 301 B6R0.1 O=CC[C@H](O)CCl SY285776 [0,2,0,0,0,0|0,0,1]=3 302 B6R0.1 OCCC(O)CO SY003295 [0,2,0,0,0,0|0,0,0]=2 303 B6R0.1 OCC[C@H](O)CO SY274042 [0,2,0,0,0,0|0,0,0]=2 304 B6R0.1 O[C@@H](CBr)CCBr SY301486 [0,2,0,0,0,0|0,0,0]=2 305 B6R0.2 CC(=O)NC(C)C SY107538 [0,2,0,0,0,0|0,0,2]=4 306 B6R0.2 CC(=O)OC(C)Br SY067153 [0,2,0,0,0,0|0,0,2]=4 307 B6R0.2 CC(C)CB(O)O SY002441 [0,2,0,0,0,0|2,0,0]=4 308 B6R0.2 CC(C)NC(C)C SY110478 [0,2,0,0,0,0|1,0,0]=3 309 B6R0.2 CC(C)NC(C)C SY235485 [0,2,0,0,0,0|1,0,0]=3 310 B6R0.2 CC(C)[NH2+]C(C)C SY037975 [0,2,0,0,0,0|1,0,0]=3 311 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [0,2,0,0,0,0|1,0,1]=4 312 B6R0.2 CC(N)CC(=O)O SY022577 [0,2,0,0,0,0|1,0,1]=4 313 B6R0.2 CN(C)CC(=O)O SY001194 [0,2,0,0,0,0|1,0,1]=4 314 B6R0.2 CN(C)CC(=O)O SY005006 [0,2,0,0,0,0|1,0,1]=4 315 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [0,2,0,0,0,0|1,0,1]=4 316 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [0,2,0,0,0,0|1,0,1]=4 317 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [0,2,0,0,0,0|0,0,1]=3 318 B6R0.2 C[C@H](N)CC(=O)O SY022578 [0,2,0,0,0,0|1,0,1]=4 319 B6R0.2 C[C@H](N)CC(=O)O SY025782 [0,2,0,0,0,0|1,0,1]=4 320 B6R0.2 C[C@H](O)C[C@H](C)O SY066746 [0,2,0,0,0,0|0,0,0]=2 321 B6R0.3 C=C[C@H](C)[C@H](C)O SY267898 [0,2,0,0,0,0|0,0,0]=2 322 B6R0.3 CC(C)C(=N)NO SY010510 [0,2,0,0,0,0|1,0,1]=4 323 B6R0.3 CC(C)C(=N)NO SY129127 [0,2,0,0,0,0|1,0,1]=4 324 B6R0.3 CC(C)C(=O)CN SY186390 [0,2,0,0,0,0|0,0,2]=4 325 B6R0.3 CC(C)C(N)CF SY045876 [0,2,0,0,0,0|1,0,0]=3 326 B6R0.3 CC(C)C(N)CO SY006455 [0,2,0,0,0,0|1,0,0]=3 327 B6R0.3 CC(C)N(C)N=O SY264258 [0,2,0,0,0,0|1,0,1]=4 328 B6R0.3 CC(C)[C@@H](N)CF SY045875 [0,2,0,0,0,0|1,0,0]=3 329 B6R0.3 CC(C)[C@@H](N)CO SY006320 [0,2,0,0,0,0|1,0,0]=3 330 B6R0.3 CC(C)[C@H](N)CF SY045871 [0,2,0,0,0,0|1,0,0]=3 331 B6R0.3 CC(C)[C@H](N)CO SY003828 [0,2,0,0,0,0|1,0,0]=3 332 B6R0.3 CCC(=O)C(=O)O SY011034 [0,2,0,0,0,0|1,0,1]=4 333 B6R0.3 CCC(=O)N(C)C SY036870 [0,2,0,0,0,0|0,0,2]=4 334 B6R0.3 CCC(Br)C(N)=O SY031102 [0,2,0,0,0,0|1,0,1]=4 335 B6R0.3 CCC(C)B(O)O SY030879 [0,2,0,0,0,0|0,0,0]=2 336 B6R0.3 CCC(N)C(=O)O SY005223 [0,2,0,0,0,0|1,0,0]=3 337 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [0,2,0,0,0,0|1,0,0]=3 338 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [0,2,0,0,0,0|0,0,0]=2 339 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [0,2,0,0,0,0|1,0,0]=3 340 B6R0.3 CC[C@@H](N)C(N)=O SY108293 [0,2,0,0,0,0|1,0,1]=4 341 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [0,2,0,0,0,0|1,0,0]=3 342 B6R0.3 CC[C@H](N)C(=O)O SY002291 [0,2,0,0,0,0|1,0,0]=3 343 B6R0.3 CC[C@H](N)C(N)=O SY020529 [0,2,0,0,0,0|1,0,1]=4 344 B6R0.3 CC[C@H](O)C(=O)O SY066872 [0,2,0,0,0,0|0,0,1]=3 345 B6R0.3 CNC(C)C(=O)O SY006014 [0,2,0,0,0,0|1,0,0]=3 346 B6R0.3 CN[C@@H](C)C(=O)O SY024215 [0,2,0,0,0,0|1,0,0]=3 347 B6R0.3 CN[C@H](C)C(=O)O SY024216 [0,2,0,0,0,0|1,0,0]=3 348 B6R0.3 COC(=N)C(C)C SY274570 [0,2,0,0,0,0|1,0,1]=4 349 B6R0.3 COC(=O)C(C)N SY008132 [0,2,0,0,0,0|0,0,2]=4 350 B6R0.3 COC(=O)[C@@H](C)N SY008138 [0,2,0,0,0,0|0,0,2]=4 351 B6R0.3 COC(=O)[C@H](C)N SY005420 [0,2,0,0,0,0|0,0,2]=4 352 B6R0.3 COC(C)C(=O)O SY034306 [0,2,0,0,0,0|1,0,0]=3 353 B6R0.3 CON(C)C(C)=O SY004033 [0,2,0,0,0,0|1,0,1]=4 354 B6R0.3 CO[C@@H](C)C(=O)O SY028415 [0,2,0,0,0,0|1,0,0]=3 355 B6R0.3 C[C@@H](CN)C(=O)O SY127503 [0,2,0,0,0,0|1,0,0]=3 356 B6R0.3 C[C@@H](CN)C(=O)O SY245999 [0,2,0,0,0,0|1,0,0]=3 357 B6R0.3 C[C@@H](O)[C@H](N)CO SY009561 [0,2,0,0,0,0|0,0,0]=2 358 B6R0.3 C[C@@H](ON)C(=O)O SY286465 [0,2,0,0,0,0|1,0,1]=4 359 B6R0.3 C[C@H](CN)C(=O)O SY020274 [0,2,0,0,0,0|1,0,0]=3 360 B6R0.3 C[C@H](CN)C(=O)O SY105716 [0,2,0,0,0,0|1,0,0]=3 361 B6R0.3 C[C@H](O)[C@@H](N)CO SY034144 [0,2,0,0,0,0|0,0,0]=2 362 B6R0.3 C[C@H](ON)C(=O)O SY286489 [0,2,0,0,0,0|1,0,1]=4 363 B6R0.3 C\C=C(\C)C(=O)O SY053021 [0,2,0,0,0,0|0,0,2]=4 364 B6R0.3 NC(CO)C(=O)O SY003812 [0,2,0,0,0,0|1,0,1]=4 365 B6R0.3 NC(CS)C(=O)O SY009625 [0,2,0,0,0,0|1,0,1]=4 366 B6R0.3 NCC(Br)C(=O)O SY297906 [0,2,0,0,0,0|1,0,1]=4 367 B6R0.3 NCC(N)C(=O)O SY017516 [0,2,0,0,0,0|1,0,1]=4 368 B6R0.3 NCC(O)C(=O)O SY007745 [0,2,0,0,0,0|1,0,1]=4 369 B6R0.3 NCC(O)C(F)F SY060649 [0,2,0,0,0,0|1,0,0]=3 370 B6R0.3 NC[C@@H](N)C(=O)O SY017514 [0,2,0,0,0,0|1,0,1]=4 371 B6R0.3 NC[C@H](N)C(=O)O SY017515 [0,2,0,0,0,0|1,0,1]=4 372 B6R0.3 NC[C@H](O)C(=O)O SY013665 [0,2,0,0,0,0|1,0,1]=4 373 B6R0.3 N[C@@H](CCl)C(=O)O SY034145 [0,2,0,0,0,0|1,0,1]=4 374 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [0,2,0,0,0,0|1,0,1]=4 375 B6R0.3 N[C@@H](CS)C(=O)O SY061564 [0,2,0,0,0,0|1,0,1]=4 376 B6R0.3 N[C@H](CCl)C(=O)O SY034148 [0,2,0,0,0,0|1,0,1]=4 377 B6R0.3 N[C@H](CO)C(=O)O SY005114 [0,2,0,0,0,0|1,0,1]=4 378 B6R0.3 N[C@H](CS)C(=O)O SY033289 [0,2,0,0,0,0|1,0,1]=4 379 B6R0.3 N[C@H](CS)C(=O)O SY033653 [0,2,0,0,0,0|1,0,1]=4 380 B6R0.3 O=C(O)C(Br)CO SY261671 [0,2,0,0,0,0|1,0,1]=4 381 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [0,2,0,0,0,0|1,0,1]=4 382 B6R0.3 OC(CBr)C(F)F SY129318 [0,2,0,0,0,0|1,0,0]=3 383 B6R0.4 C#CCCN(C)C SY261953 [0,2,0,0,0,0|2,0,0]=4 384 B6R0.4 C=CCC[C@H](C)O SY307699 [0,2,0,0,0,0|0,0,0]=2 385 B6R0.4 CC(=O)CCCO SY002852 [0,2,0,0,0,0|0,0,2]=4 386 B6R0.4 CC(=O)NCCN SY313725 [0,2,0,0,0,0|0,0,2]=4 387 B6R0.4 CC(C)CCCO SY016761 [0,2,0,0,0,0|1,0,0]=3 388 B6R0.4 CC(C)CCNN SY048082 [0,2,0,0,0,0|1,0,0]=3 389 B6R0.4 CC(C)CCON SY045359 [0,2,0,0,0,0|1,0,0]=3 390 B6R0.4 CC(C)CCON SY281670 [0,2,0,0,0,0|1,0,0]=3 391 B6R0.4 CC(C)NCCCl SY028925 [0,2,0,0,0,0|1,0,0]=3 392 B6R0.4 CC(C)OCC=O SY269035 [0,2,0,0,0,0|1,0,1]=4 393 B6R0.4 CC(C)OCCBr SY031858 [0,2,0,0,0,0|1,0,0]=3 394 B6R0.4 CC(Cl)CCCO SY207412 [0,2,0,0,0,0|1,0,0]=3 395 B6R0.4 CC(O)CCCO SY239899 [0,2,0,0,0,0|0,0,0]=2 396 B6R0.4 CCCCB(O)O SY012742 [0,2,0,0,0,0|2,0,0]=4 397 B6R0.4 CN(C)CCC=O SY022382 [0,2,0,0,0,0|2,0,0]=4 398 B6R0.4 CN(C)CCCBr SY016763 [0,2,0,0,0,0|2,0,0]=4 399 B6R0.4 CN(C)CCCCl SY006370 [0,2,0,0,0,0|2,0,0]=4 400 B6R0.4 CN(C)CCCCl SY021395 [0,2,0,0,0,0|2,0,0]=4 401 B6R0.4 CN(C)CCCI SY247760 [0,2,0,0,0,0|2,0,0]=4 402 B6R0.4 CN(C)CCCI SY247768 [0,2,0,0,0,0|2,0,0]=4 403 B6R0.4 CNCCC(=O)O SY005345 [0,2,0,0,0,0|1,0,1]=4 404 B6R0.4 CNCCC(=O)O SY112486 [0,2,0,0,0,0|1,0,1]=4 405 B6R0.4 COCCC(=O)O SY028921 [0,2,0,0,0,0|1,0,1]=4 406 B6R0.4 N#CCCC(=O)O SY008516 [0,2,0,0,0,0|1,0,1]=4 407 B6R0.4 O=C(O)CCCBr SY001501 [0,2,0,0,0,0|1,0,1]=4 408 B6R0.5 C=CCC(C)(C)N SY264947 [0,2,0,0,0,0|1,0,1]=4 409 B6R0.5 CC(C)(C)CCBr SY031960 [0,2,0,0,0,0|1,0,0]=3 410 B6R0.5 CC(C)(C)CCN SY123555 [0,2,0,0,0,0|1,0,0]=3 411 B6R0.5 CC(C)(C)CON SY149479 [0,2,0,0,0,0|2,0,0]=4 412 B6R0.5 CC(C)(C)CON SY281749 [0,2,0,0,0,0|2,0,0]=4 413 B6R0.5 CC(C)(I)CCO SY248398 [0,2,0,0,0,0|1,0,0]=3 414 B6R0.5 CC(C)(N)CCO SY025601 [0,2,0,0,0,0|1,0,0]=3 415 B6R0.5 CC(C)(N)CCO SY029973 [0,2,0,0,0,0|1,0,0]=3 416 B6R0.5 CC(C)(O)CCBr SY043014 [0,2,0,0,0,0|0,0,0]=2 417 B6R0.5 CC(C)(O)CON SY164879 [0,2,0,0,0,0|1,0,0]=3 418 B6R0.5 CNCC(C)(C)O SY123563 [0,2,0,0,0,0|0,0,0]=2 419 B6R0.5 CNCC(F)(F)F SY023850 [0,2,0,0,0,0|2,0,0]=4 420 B6R0.5 COCC(C)(C)N SY023626 [0,2,0,0,0,0|1,0,0]=3 421 B6R0.5 COCC(C)(C)N SY026408 [0,2,0,0,0,0|1,0,0]=3 422 B6R0.5 COCC(C)(C)O SY285974 [0,2,0,0,0,0|0,0,0]=2 423 B6R0.5 CS(=O)(=O)CCBr SY020452 [0,2,0,0,0,0|1,0,1]=4 424 B6R0.5 CS(=O)(=O)CCN SY006994 [0,2,0,0,0,0|1,0,1]=4 425 B6R0.5 CS(=O)(=O)CCO SY049666 [0,2,0,0,0,0|1,0,1]=4 426 B6R0.5 CSCC(C)(C)N SY196988 [0,2,0,0,0,0|1,0,0]=3 427 B6R0.5 C[N+](C)(C)CCO SY129307 [0,2,0,0,0,0|2,0,0]=4 428 B6R0.5 C[Si](C)(C)CCCl SY201843 [0,2,0,0,0,0|1,1,0]=4 429 B6R0.5 FC(F)(F)CCI SY030988 [0,2,0,0,0,0|2,0,0]=4 430 B6R0.5 NCCC(F)(F)F SY031710 [0,2,0,0,0,0|2,0,0]=4 431 B6R0.5 NCCP(=O)(O)O SY233151 [0,2,0,0,0,0|2,0,0]=4 432 B6R0.5 O=S(=O)(O)CCBr SY019880 [0,2,0,0,0,0|2,0,0]=4 433 B6R0.8 C#CC(C)(N)CC SY027300 [0,2,0,0,0,0|1,0,0]=3 434 B6R0.8 C=CC(C)(O)CBr SY266264 [0,2,0,0,0,0|1,0,0]=3 435 B6R0.8 CC(C)(C#N)CBr SY250128 [0,2,0,0,0,0|2,0,0]=4 436 B6R0.8 CC(C)(C#N)CO SY045527 [0,2,0,0,0,0|1,0,1]=4 437 B6R0.8 CC(C)(C=O)CO SY107563 [0,2,0,0,0,0|1,0,1]=4 438 B6R0.8 CC(C)(CBr)CBr SY038454 [0,2,0,0,0,0|2,0,0]=4 439 B6R0.8 CC(C)(CN)CF SY276712 [0,2,0,0,0,0|2,0,0]=4 440 B6R0.8 CC(C)(CO)CBr SY039504 [0,2,0,0,0,0|1,0,0]=3 441 B6R0.8 CC(O)(CO)CO SY224166 [0,2,0,0,0,0|1,0,0]=3 442 B6R0.8 CCC(C)(N)C#N SY026944 [0,2,0,0,0,0|1,0,0]=3 443 B6R0.8 CNC(C)(C)CBr SY283913 [0,2,0,0,0,0|2,0,0]=4 444 B6R0.8 CNC(C)(C)CO SY033902 [0,2,0,0,0,0|1,0,0]=3 445 B6R0.8 COC(C)(C)CBr SY007681 [0,2,0,0,0,0|1,0,0]=3 446 B6R0.8 COC(C)(C)CN SY195711 [0,2,0,0,0,0|1,0,0]=3 447 B6R0.8 COC(C)(C)CO SY162215 [0,2,0,0,0,0|1,0,0]=3 448 B6R0.8 NCC(F)(F)CO SY031111 [0,2,0,0,0,0|2,0,0]=4 449 B6R0.8 OCC(F)(F)CO SY026989 [0,2,0,0,0,0|2,0,0]=4 450 B6R0.9 CCC(C#N)CC SY059782 [0,2,0,0,0,0|1,0,0]=3 451 B6R0.9 CCC(CC)NC SY023477 [0,2,0,0,0,0|1,0,0]=3 452 B6R0.9 CCN(CC)N=O SY053647 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.9 COC(CO)OC SY122147 [0,2,0,0,0,0|1,0,0]=3 454 B6R0.9 C\C=C(\C=O)CC SY265075 [0,2,0,0,0,0|0,0,2]=4 455 B6R0.9 OCC(CO)CO SY026482 [0,2,0,0,0,0|1,0,0]=3 456 B6R0.7 CC(C)(N)C(=O)O SY002590 [0,2,0,0,0,0|1,0,1]=4 457 B6R0.7 CC(C)(O)C(=O)O SY001526 [0,2,0,0,0,0|1,0,1]=4 458 B6R0.7 CC(C)(O)C(N)=O SY035592 [0,2,0,0,0,0|1,0,1]=4 459 B6R0.7 CC(N)C(C)(C)O SY180465 [0,2,0,0,0,0|0,0,0]=2 460 B6R0.7 CC(N)C(F)(F)F SY109914 [0,2,0,0,0,0|2,0,0]=4 461 B6R0.7 CC(O)C(C)(C)N SY146666 [0,2,0,0,0,0|0,0,0]=2 462 B6R0.7 CC(O)C(F)(F)F SY024147 [0,2,0,0,0,0|1,0,0]=3 463 B6R0.7 C[C@@H](N)C(F)(F)F SY019584 [0,2,0,0,0,0|2,0,0]=4 464 B6R0.7 C[C@H](N)C(F)(F)F SY019582 [0,2,0,0,0,0|2,0,0]=4 465 B6R0.7 C[C@H](O)C(F)(F)F SY262173 [0,2,0,0,0,0|1,0,0]=3 466 B4R1.2 IC1CC1 SY046875 [1,0,0,1,0,0|1,0,0]=3 467 B4R1.2 O=C1CC1 SY037762 [1,0,0,1,0,0|0,0,2]=4 468 B4R1.2 OC1CC1 SY028267 [1,0,0,1,0,0|0,0,0]=2 469 B6R1.2 C=C1CCNC1 SY038558 [0,1,0,1,0,0|1,0,1]=4 470 B6R1.2 CC1=NCCC1 SY015490 [0,1,0,1,0,0|1,0,1]=4 471 B6R1.2 CC1CCCN1 SY042657 [0,1,0,1,0,0|1,0,0]=3 472 B6R1.2 CN1CCNC1 SY251230 [0,1,0,1,0,0|2,0,0]=4 473 B6R1.2 C[C@@H]1CCCN1 SY019809 [0,1,0,1,0,0|1,0,0]=3 474 B6R1.2 C[C@@H]1CCNC1 SY097390 [0,1,0,1,0,0|1,0,0]=3 475 B6R1.2 C[C@H]1CCCN1 SY019821 [0,1,0,1,0,0|1,0,0]=3 476 B6R1.2 C[C@H]1CCNC1 SY097402 [0,1,0,1,0,0|1,0,0]=3 477 B6R1.2 C[S+]1CCCC1 SY251130 [0,1,0,1,0,0|2,0,0]=4 478 B6R1.2 ClC1CCOC1 SY185690 [0,1,0,1,0,0|1,0,0]=3 479 B6R1.2 Cl[C@@H]1CCNC1 SY281534 [0,1,0,1,0,0|1,0,0]=3 480 B6R1.2 FC1CCNC1 SY032538 [0,1,0,1,0,0|1,0,0]=3 481 B6R1.2 F[C@@H]1CCNC1 SY008511 [0,1,0,1,0,0|1,0,0]=3 482 B6R1.2 F[C@H]1CCNC1 SY008512 [0,1,0,1,0,0|1,0,0]=3 483 B6R1.2 IC1CCCC1 SY019127 [0,1,0,1,0,0|1,0,0]=3 484 B6R1.2 IC1CCOC1 SY042009 [0,1,0,1,0,0|1,0,0]=3 485 B6R1.2 NC1=NCCC1 SY030217 [0,1,0,1,0,0|1,0,1]=4 486 B6R1.2 NC1CC=CC1 SY019807 [0,1,0,1,0,0|1,0,1]=4 487 B6R1.2 NC1CCNC1 SY005919 [0,1,0,1,0,0|1,0,0]=3 488 B6R1.2 NC1CCOC1 SY003277 [0,1,0,1,0,0|1,0,0]=3 489 B6R1.2 NC1CCOC1 SY042059 [0,1,0,1,0,0|1,0,0]=3 490 B6R1.2 N[C@@H]1CCOC1 SY020665 [0,1,0,1,0,0|1,0,0]=3 491 B6R1.2 N[C@@H]1CCOC1 SY024464 [0,1,0,1,0,0|1,0,0]=3 492 B6R1.2 N[C@H]1CCNC1 SY057131 [0,1,0,1,0,0|1,0,0]=3 493 B6R1.2 N[C@H]1CCOC1 SY020664 [0,1,0,1,0,0|1,0,0]=3 494 B6R1.2 N[C@H]1CCOC1 SY024406 [0,1,0,1,0,0|1,0,0]=3 495 B6R1.2 O=C1CCNC1 SY019727 [0,1,0,1,0,0|0,0,2]=4 496 B6R1.2 O=C1CCOC1 SY003100 [0,1,0,1,0,0|0,0,2]=4 497 B6R1.2 O=C1NCCO1 SY003480 [0,1,0,1,0,0|1,0,1]=4 498 B6R1.2 O=S1OCCO1 SY036937 [0,1,0,1,0,0|2,0,0]=4 499 B6R1.2 OC1CC=CC1 SY007884 [0,1,0,1,0,0|0,0,1]=3 500 B6R1.2 OC1CCCO1 SY016132 [0,1,0,1,0,0|0,0,0]=2 501 B6R1.2 OC1CCNC1 SY001203 [0,1,0,1,0,0|0,0,0]=2 502 B6R1.2 OC1CCNC1 SY003143 [0,1,0,1,0,0|0,0,0]=2 503 B6R1.2 OC1CCOC1 SY003288 [0,1,0,1,0,0|0,0,0]=2 504 B6R1.2 OC1CCSC1 SY185762 [0,1,0,1,0,0|0,0,0]=2 505 B6R1.2 O[C@@H]1CCNC1 SY003191 [0,1,0,1,0,0|0,0,0]=2 506 B6R1.2 O[C@@H]1CCNC1 SY018523 [0,1,0,1,0,0|0,0,0]=2 507 B6R1.2 O[C@@H]1CCOC1 SY016904 [0,1,0,1,0,0|0,0,0]=2 508 B6R1.2 O[C@@H]1CNOC1 SY021787 [0,1,0,1,0,0|1,0,0]=3 509 B6R1.2 O[C@H]1CCNC1 SY003190 [0,1,0,1,0,0|0,0,0]=2 510 B6R1.2 O[C@H]1CCNC1 SY007382 [0,1,0,1,0,0|0,0,0]=2 511 B6R1.2 O[C@H]1CCOC1 SY003096 [0,1,0,1,0,0|0,0,0]=2 512 B6R1.2 O[C@H]1CNOC1 SY021785 [0,1,0,1,0,0|1,0,0]=3 513 B6R1.3 BrCCC1CC1 SY023093 [0,1,0,1,0,0|1,0,0]=3 514 B6R1.3 BrCCC1CO1 SY021183 [0,1,0,1,0,0|0,0,0]=2 515 B6R1.3 CCNC1CC1 SY027577 [0,1,0,1,0,0|1,0,0]=3 516 B6R1.3 CCNC1CC1 SY027695 [0,1,0,1,0,0|1,0,0]=3 517 B6R1.3 CNCC1CC1 SY029533 [0,1,0,1,0,0|1,0,0]=3 518 B6R1.3 CNCC1CC1 SY029534 [0,1,0,1,0,0|1,0,0]=3 519 B6R1.3 N#CCC1CC1 SY058947 [0,1,0,1,0,0|1,0,1]=4 520 B6R1.3 NCCC1CC1 SY042128 [0,1,0,1,0,0|1,0,0]=3 521 B6R1.3 NNCC1CC1 SY013383 [0,1,0,1,0,0|2,0,0]=4 522 B6R1.3 NNCC1CC1 SY042147 [0,1,0,1,0,0|2,0,0]=4 523 B6R1.3 NOCC1CC1 SY101356 [0,1,0,1,0,0|2,0,0]=4 524 B6R1.3 OCCC1CC1 SY041938 [0,1,0,1,0,0|1,0,0]=3 525 B6R1.5 CC1CC(O)C1 SY203262 [0,1,0,1,0,0|0,0,0]=2 526 B6R1.5 CN1CC(N)C1 SY022763 [0,1,0,1,0,0|1,0,0]=3 527 B6R1.5 CN1CC(O)C1 SY017235 [0,1,0,1,0,0|0,0,0]=2 528 B6R1.5 CN1CC(O)C1 SY029236 [0,1,0,1,0,0|0,0,0]=2 529 B6R1.5 C[C@H]1C[C@H](C)N1 SY310795 [0,1,0,1,0,0|1,0,0]=3 530 B6R1.5 NC1CC(=O)C1 SY022838 [0,1,0,1,0,0|0,0,2]=4 531 B6R1.5 NC1CC(F)C1 SY097608 [0,1,0,1,0,0|1,0,0]=3 532 B6R1.5 NC1CC(O)C1 SY016148 [0,1,0,1,0,0|0,0,0]=2 533 B6R1.5 NC1CC(O)C1 SY025077 [0,1,0,1,0,0|0,0,0]=2 534 B6R1.5 N[C@H]1C[C@@H](O)C1 SY035914 [0,1,0,1,0,0|0,0,0]=2 535 B6R1.5 N[C@H]1C[C@@H](O)C1 SY039961 [0,1,0,1,0,0|0,0,0]=2 536 B6R1.5 N[C@H]1C[C@H](F)C1 SY099957 [0,1,0,1,0,0|1,0,0]=3 537 B6R1.5 N[C@H]1C[C@H](O)C1 SY035915 [0,1,0,1,0,0|0,0,0]=2 538 B6R1.5 O=C1CC(Br)C1 SY029031 [0,1,0,1,0,0|0,0,2]=4 539 B6R1.5 OC1CC(O)C1 SY233801 [0,1,0,1,0,0|0,0,0]=2 540 B6R1.9 NC1CC1(F)F SY058139 [0,1,0,1,0,0|2,0,0]=4 541 B6R1.10 CC1(C)CCN1 SY310792 [0,1,0,1,0,0|1,0,0]=3 542 B6R1.10 CC1(C)CNC1 SY026161 [0,1,0,1,0,0|1,0,0]=3 543 B6R1.10 CC1(F)CNC1 SY042333 [0,1,0,1,0,0|1,0,0]=3 544 B6R1.10 CC1(N)CCC1 SY025586 [0,1,0,1,0,0|1,0,0]=3 545 B6R1.10 CC1(N)COC1 SY051262 [0,1,0,1,0,0|1,0,0]=3 546 B6R1.10 CC1(N)COC1 SY097567 [0,1,0,1,0,0|1,0,0]=3 547 B6R1.10 CC1(O)CCC1 SY196215 [0,1,0,1,0,0|0,0,0]=2 548 B6R1.10 CC1(O)CNC1 SY035860 [0,1,0,1,0,0|0,0,0]=2 549 B6R1.10 CC1(O)CNC1 SY111204 [0,1,0,1,0,0|0,0,0]=2 550 B6R1.10 CC1(O)COC1 SY097550 [0,1,0,1,0,0|0,0,0]=2 551 B6R1.10 FC1(F)CNC1 SY020003 [0,1,0,1,0,0|2,0,0]=4 552 B6R1.11 CC(N)C1CC1 SY023598 [0,1,0,1,0,0|1,0,0]=3 553 B6R1.11 C[C@@H](N)C1CC1 SY111958 [0,1,0,1,0,0|1,0,0]=3 554 B6R1.11 C[C@H](N)C1CC1 SY099127 [0,1,0,1,0,0|1,0,0]=3 555 B6R1.11 O=C(O)[C@H]1CO1 SY289468 [0,1,0,1,0,0|1,0,1]=4 556 B6R1.11 OB(O)C1CC1 SY004028 [0,1,0,1,0,0|2,0,0]=4 557 B6R1.4 CC1CCC1O SY161762 [0,1,0,1,0,0|0,0,0]=2 558 B6R1.4 C[C@@H]1NC[C@@H]1F SY310794 [0,1,0,1,0,0|1,0,0]=3 559 B6R1.4 C[C@@H]1NC[C@H]1F SY310804 [0,1,0,1,0,0|1,0,0]=3 560 B6R1.4 C[C@@H]1NC[C@H]1O SY310807 [0,1,0,1,0,0|0,0,0]=2 561 B6R1.4 O=C1CCC1Br SY234041 [0,1,0,1,0,0|0,0,2]=4 562 B6R1.4 OC1CCC1O SY301012 [0,1,0,1,0,0|0,0,0]=2 563 B6R1.6 BrCC1CNC1 SY267476 [0,1,0,1,0,0|2,0,0]=4 564 B6R1.6 BrCC1COC1 SY059797 [0,1,0,1,0,0|1,0,0]=3 565 B6R1.6 C#CC1CCO1 SY284813 [0,1,0,1,0,0|0,0,1]=3 566 B6R1.6 C#CC1CNC1 SY233830 [0,1,0,1,0,0|2,0,0]=4 567 B6R1.6 C#CC1CNC1 SY284819 [0,1,0,1,0,0|2,0,0]=4 568 B6R1.6 C#CC1COC1 SY234079 [0,1,0,1,0,0|0,0,2]=4 569 B6R1.6 CNC1COC1 SY047195 [0,1,0,1,0,0|1,0,0]=3 570 B6R1.6 COC1CNC1 SY021482 [0,1,0,1,0,0|1,0,0]=3 571 B6R1.6 FCC1CNC1 SY127600 [0,1,0,1,0,0|2,0,0]=4 572 B6R1.6 ICC1CCC1 SY073415 [0,1,0,1,0,0|1,0,0]=3 573 B6R1.6 N#CC1CNC1 SY032760 [0,1,0,1,0,0|2,0,0]=4 574 B6R1.6 N#CC1COC1 SY226783 [0,1,0,1,0,0|1,0,1]=4 575 B6R1.6 NCC1CCC1 SY035875 [0,1,0,1,0,0|1,0,0]=3 576 B6R1.6 NCC1CCO1 SY035857 [0,1,0,1,0,0|0,0,0]=2 577 B6R1.6 NCC1COC1 SY025447 [0,1,0,1,0,0|1,0,0]=3 578 B6R1.6 NCC1COC1 SY098725 [0,1,0,1,0,0|1,0,0]=3 579 B6R1.6 NC[C@@H]1CCO1 SY250609 [0,1,0,1,0,0|0,0,0]=2 580 B6R1.6 NC[C@H]1CCO1 SY262606 [0,1,0,1,0,0|0,0,0]=2 581 B6R1.6 O=CC1CCC1 SY019700 [0,1,0,1,0,0|0,0,1]=3 582 B6R1.6 O=CC1COC1 SY097875 [0,1,0,1,0,0|1,0,1]=4 583 B6R1.6 OCC1CCO1 SY042053 [0,1,0,1,0,0|0,0,0]=2 584 B6R1.6 OCC1CNC1 SY024106 [0,1,0,1,0,0|1,0,0]=3 585 B6R1.6 OCC1COC1 SY009472 [0,1,0,1,0,0|1,0,0]=3 586 B6R1.6 OC[C@@H]1CCO1 SY270417 [0,1,0,1,0,0|0,0,0]=2 587 B6R1.6 ON=C1CCC1 SY185260 [0,1,0,1,0,0|0,0,1]=3 588 B6R1.7 C#CC1(C)CC1 SY058218 [0,1,0,1,0,0|1,0,0]=3 589 B6R1.7 C#CC1(N)CC1 SY099197 [0,1,0,1,0,0|1,0,1]=4 590 B6R1.7 CC1(C=O)CC1 SY310800 [0,1,0,1,0,0|0,0,1]=3 591 B6R1.7 CC1(CBr)CO1 SY247742 [0,1,0,1,0,0|1,0,0]=3 592 B6R1.7 CC1(CN)CC1 SY029652 [0,1,0,1,0,0|1,0,0]=3 593 B6R1.7 CC1(CO)CC1 SY029659 [0,1,0,1,0,0|0,0,0]=2 594 B6R1.7 CC1(CO)CO1 SY028746 [0,1,0,1,0,0|1,0,0]=3 595 B6R1.7 C[C@]1(CO)CO1 SY028745 [0,1,0,1,0,0|1,0,0]=3 596 B6R1.7 N#CC1(N)CC1 SY015717 [0,1,0,1,0,0|1,0,1]=4 597 B6R1.7 NC1(CF)CC1 SY040347 [0,1,0,1,0,0|1,0,0]=3 598 B6R1.7 NC1(CO)CC1 SY017513 [0,1,0,1,0,0|1,0,0]=3 599 B6R1.7 NC1(CO)CC1 SY047102 [0,1,0,1,0,0|1,0,0]=3 600 B6R1.7 NCC1(O)CC1 SY040047 [0,1,0,1,0,0|0,0,0]=2 601 B6R1.7 NCC1(O)CC1 SY102292 [0,1,0,1,0,0|0,0,0]=2 602 B6R1.7 OCC1(F)CC1 SY123971 [0,1,0,1,0,0|1,0,0]=3 603 B6R1.7 OCC1(O)CC1 SY123956 [0,1,0,1,0,0|0,0,0]=2