0 B4R0.1 C#CC(C)N SY022798 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C=C(C)CN SY018445 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 C=C[C@H](C)N SY245785 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 CC(=N)NN SY188423 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 CC(=O)CN SY018511 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 CC(C)NN SY008422 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(C)NO SY059927 [0,0,0,0,0,0|1,0,1]=2 7 B4R0.1 CC(C)ON SY019006 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 CC(N)CBr SY268996 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CC(N)CF SY045872 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 CC(S)CO SY195125 [0,0,0,0,0,0|1,0,2]=3 11 B4R0.1 CC[C@H](C)N SY059203 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 C[C@@H](Cl)CO SY240135 [0,0,0,0,0,0|1,0,2]=3 13 B4R0.1 C[C@@H](N)CF SY044783 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 C[C@@H](O)CN SY002691 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 C[C@@H](O)CO SY003769 [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 C[C@H](N)CF SY044781 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 C[C@H](O)CO SY003770 [0,0,0,0,0,0|1,0,2]=3 18 B4R0.1 C\C(Cl)=N\O SY307714 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 C\C(N)=N\O SY011082 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 FC(F)CI SY027169 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 NCC(F)F SY013766 [0,0,0,0,0,0|3,0,1]=4 22 B3R0.1 CCON SY009566 [1,0,0,0,0,0|2,0,0]=3 23 B3R0.1 CNOC SY001763 [1,0,0,0,0,0|3,0,0]=4 24 B3R0.1 COCBr SY029084 [1,0,0,0,0,0|2,0,1]=4 25 B3R0.1 C[Se][Se]C SY048201 [1,0,0,0,0,0|3,0,0]=4 26 B3R0.1 FCCI SY024380 [1,0,0,0,0,0|2,0,1]=4 27 B3R0.1 ICCI SY045649 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.1 NCCF SY009337 [1,0,0,0,0,0|2,0,1]=4 29 B3R0.1 NCCI SY155633 [1,0,0,0,0,0|2,0,1]=4 30 B3R0.1 N\C=N\O SY086195 [1,0,0,0,0,0|3,0,0]=4 31 B3R0.2 CB(O)O SY001105 [1,0,0,0,0,0|2,0,1]=4 32 B3R0.2 CC(=O)O SY001386 [1,0,0,0,0,0|1,0,1]=3 33 B3R0.2 CC(=O)O SY004125 [1,0,0,0,0,0|1,0,1]=3 34 B3R0.2 CC(=O)[O-] SY001322 [1,0,0,0,0,0|1,0,1]=3 35 B3R0.2 CC(=O)[O-] SY010327 [1,0,0,0,0,0|1,0,1]=3 36 B3R0.2 CC(=O)[O-] SY011498 [1,0,0,0,0,0|1,0,1]=3 37 B3R0.2 CC(=O)[O-] SY011745 [1,0,0,0,0,0|1,0,1]=3 38 B3R0.2 CC(=O)[O-] SY011809 [1,0,0,0,0,0|1,0,1]=3 39 B3R0.2 CC(=O)[O-] SY011846 [1,0,0,0,0,0|1,0,1]=3 40 B3R0.2 CC(=O)[O-] SY013501 [1,0,0,0,0,0|1,0,1]=3 41 B3R0.2 CC(=O)[O-] SY027391 [1,0,0,0,0,0|1,0,1]=3 42 B3R0.2 CC(=O)[O-] SY045651 [1,0,0,0,0,0|1,0,1]=3 43 B3R0.2 CC(=O)[O-] SY067119 [1,0,0,0,0,0|1,0,1]=3 44 B3R0.2 CC(=O)[O-] SY256925 [1,0,0,0,0,0|1,0,1]=3 45 B3R0.2 CC(=O)[O-] SY257453 [1,0,0,0,0,0|1,0,1]=3 46 B3R0.2 CC(C)N SY107348 [1,0,0,0,0,0|1,0,0]=2 47 B3R0.2 CN(C)C SY010907 [1,0,0,0,0,0|1,0,1]=3 48 B3R0.2 CS(=O)[O-] SY002584 [1,0,0,0,0,0|2,0,0]=3 49 B3R0.2 C[S+](C)C SY011509 [1,0,0,0,0,0|1,0,1]=3 50 B3R0.2 C[S+](C)C SY019516 [1,0,0,0,0,0|1,0,1]=3 51 B3R0.2 O=C([O-])[O-] SY001250 [1,0,0,0,0,0|2,0,1]=4 52 B3R0.2 O=C([O-])[O-] SY009169 [1,0,0,0,0,0|2,0,1]=4 53 B3R0.2 O=C([O-])[O-] SY011697 [1,0,0,0,0,0|2,0,1]=4 54 B3R0.2 O=C([O-])[O-] SY011713 [1,0,0,0,0,0|2,0,1]=4 55 B3R0.2 O=C([O-])[O-] SY011779 [1,0,0,0,0,0|2,0,1]=4 56 B3R0.2 O=C([O-])[O-] SY011799 [1,0,0,0,0,0|2,0,1]=4 57 B3R0.2 O=C([O-])[O-] SY011844 [1,0,0,0,0,0|2,0,1]=4 58 B3R0.2 O=C([O-])[O-] SY066643 [1,0,0,0,0,0|2,0,1]=4 59 B3R0.2 O=C([O-])[O-] SY076666 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.2 O=C([O-])[O-] SY274515 [1,0,0,0,0,0|2,0,1]=4 61 B3R0.2 O=C([O-])[O-] SY288394 [1,0,0,0,0,0|2,0,1]=4 62 B3R0.2 O=[N+]([O-])[O-] SY061250 [1,0,0,0,0,0|3,0,0]=4 63 B3R0.2 O=[N+]([O-])[O-] SY061261 [1,0,0,0,0,0|3,0,0]=4 64 B3R0.2 O=[Ti]([O-])[O-] SY061132 [1,0,0,0,0,0|3,0,0]=4 65 B3R0.2 O=[Ti]([O-])[O-] SY284367 [1,0,0,0,0,0|3,0,0]=4 66 B3R0.2 O=[Ti]([O-])[O-] SY284368 [1,0,0,0,0,0|3,0,0]=4 67 B3R0.2 O=[V](=O)[O-] SY106462 [1,0,0,0,0,0|3,0,0]=4 68 B3R0.2 P(C)(C)=O SY009874 [1,0,0,0,0,0|1,0,0]=2 69 B3R0.2 P(C)(C)=O SY237149 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.1 CC(=O)\C=N/O SY112549 [0,1,0,0,0,0|1,0,2]=4 71 B5R0.1 CC(C)CON SY013358 [0,1,0,0,0,0|0,0,2]=3 72 B5R0.1 CC(C)N=[N+]=[N-] SY197245 [0,1,0,0,0,0|2,0,0]=3 73 B5R0.1 CC(I)=CCI SY237855 [0,1,0,0,0,0|2,0,1]=4 74 B5R0.1 CC(N)CCF SY299085 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.1 CC(N)CCO SY030187 [0,1,0,0,0,0|1,0,2]=4 76 B5R0.1 CC(O)CCBr SY216789 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.1 CCC[C@@H](C)O SY045083 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.1 CN(C)CC=O SY114927 [0,1,0,0,0,0|1,0,0]=2 79 B5R0.1 CN(C)CCBr SY004492 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.1 CN(C)CCI SY219257 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.1 CN(C)CCI SY247759 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.1 CN(C)CCI SY247769 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.1 CNCC(C)O SY083968 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.1 CNC[C@H](C)O SY131109 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.1 COCC(C)Br SY074290 [0,1,0,0,0,0|1,0,2]=4 86 B5R0.1 COC[C@@H](C)N SY034826 [0,1,0,0,0,0|1,0,2]=4 87 B5R0.1 COC[C@@H](C)N SY056838 [0,1,0,0,0,0|1,0,2]=4 88 B5R0.1 C[C@@H](O)CCO SY049450 [0,1,0,0,0,0|1,0,2]=4 89 B5R0.1 C[C@H](N)CC#N SY121969 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.1 C[C@H](N)CC#N SY294704 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.1 C[C@H](N)CCO SY022986 [0,1,0,0,0,0|1,0,2]=4 92 B5R0.1 C\C(I)=C/CI SY237856 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.1 C\C(I)=C\CI SY237854 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.1 C\C(I)=C\CO SY246995 [0,1,0,0,0,0|1,0,2]=4 95 B5R0.1 C\C(I)=C\CO SY252919 [0,1,0,0,0,0|1,0,2]=4 96 B5R0.3 C#C[C@H](C)OC SY282343 [0,1,0,0,0,0|1,0,1]=3 97 B5R0.3 C=CC(=O)NC SY057550 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.3 C=CC(C)ON SY039116 [0,1,0,0,0,0|2,0,0]=3 99 B5R0.3 C=CC(O)CO SY275096 [0,1,0,0,0,0|2,0,0]=3 100 B5R0.3 C=C[C@@H](N)CO SY211186 [0,1,0,0,0,0|2,0,0]=3 101 B5R0.3 C=C[C@H](N)CO SY101322 [0,1,0,0,0,0|2,0,0]=3 102 B5R0.3 CC(=CI)CI SY271392 [0,1,0,0,0,0|1,0,1]=3 103 B5R0.3 CC(CBr)CBr SY038831 [0,1,0,0,0,0|1,0,1]=3 104 B5R0.3 CC(CI)CI SY248411 [0,1,0,0,0,0|1,0,1]=3 105 B5R0.3 CCC(Br)CC SY050135 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.3 CC[C@@H](N)CO SY049464 [0,1,0,0,0,0|1,0,2]=4 107 B5R0.3 CC[C@H](N)CF SY045883 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.3 CNC(C)C#N SY019549 [0,1,0,0,0,0|1,0,1]=3 109 B5R0.3 CNC(C)CO SY082195 [0,1,0,0,0,0|0,0,2]=3 110 B5R0.3 COC(C)CBr SY298794 [0,1,0,0,0,0|1,0,1]=3 111 B5R0.3 CO[C@@H](C)CN SY114788 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.3 C\C(=C/I)CO SY270524 [0,1,0,0,0,0|1,0,1]=3 113 B5R0.3 C\C(=C\I)CI SY248780 [0,1,0,0,0,0|1,0,1]=3 114 B5R0.3 FCC(I)CF SY249443 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.3 NCC(Br)CBr SY006726 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.3 NCC(F)CO SY260924 [0,1,0,0,0,0|1,0,2]=4 117 B5R0.3 NCC(O)CN SY013661 [0,1,0,0,0,0|2,0,1]=4 118 B5R0.3 NC[C@@H](O)CO SY008127 [0,1,0,0,0,0|1,0,2]=4 119 B5R0.3 NC[C@H](O)CBr SY294054 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.3 NC[C@H](O)CCl SY060396 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.3 O=CC(Br)C=O SY002049 [0,1,0,0,0,0|1,0,1]=3 122 B5R0.3 OC(CBr)CBr SY012889 [0,1,0,0,0,0|2,0,1]=4 123 B5R0.4 C=CC(F)(F)Br SY031708 [0,1,0,0,0,0|3,0,0]=4 124 B5R0.4 CC(C)(Br)C=O SY251082 [0,1,0,0,0,0|0,0,0]=1 125 B5R0.4 CC(C)(C)CCl SY048171 [0,1,0,0,0,0|1,0,1]=3 126 B5R0.4 CC(C)(C)NO SY036171 [0,1,0,0,0,0|1,0,1]=3 127 B5R0.4 CC(C)(C)ON SY025901 [0,1,0,0,0,0|2,0,0]=3 128 B5R0.4 CC(C)(F)CBr SY027377 [0,1,0,0,0,0|1,0,1]=3 129 B5R0.4 CC(C)(F)CI SY028245 [0,1,0,0,0,0|1,0,1]=3 130 B5R0.4 CC(C)(F)CO SY029466 [0,1,0,0,0,0|0,0,2]=3 131 B5R0.4 CC(C)(N)C#N SY046540 [0,1,0,0,0,0|1,0,1]=3 132 B5R0.4 CC(C)(O)CBr SY236333 [0,1,0,0,0,0|1,0,1]=3 133 B5R0.4 CC(C)(O)CN SY022204 [0,1,0,0,0,0|1,0,1]=3 134 B5R0.4 CC(C)(O)CO SY107922 [0,1,0,0,0,0|0,0,2]=3 135 B5R0.4 CC(F)(F)CN SY029653 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.4 CC(F)(F)CO SY029658 [0,1,0,0,0,0|1,0,2]=4 137 B5R0.4 CO[Si](C)(C)Cl SY249087 [0,1,0,0,0,0|2,1,0]=4 138 B5R0.5 C=C(C)C(C)O SY145959 [0,1,0,0,0,0|2,0,0]=3 139 B5R0.5 C=C(C)C(N)=O SY010261 [0,1,0,0,0,0|0,0,2]=3 140 B5R0.5 C=C(F)C(=O)Cl SY039966 [0,1,0,0,0,0|1,0,2]=4 141 B5R0.5 C=C(F)C(=O)O SY021247 [0,1,0,0,0,0|1,0,2]=4 142 B5R0.5 CC(=O)C(F)F SY013768 [0,1,0,0,0,0|2,0,0]=3 143 B5R0.5 CC(Br)C(N)=O SY106825 [0,1,0,0,0,0|1,0,0]=2 144 B5R0.5 CC(C)B(O)O SY006229 [0,1,0,0,0,0|1,0,1]=3 145 B5R0.5 CC(C)C(=N)N SY024838 [0,1,0,0,0,0|1,0,0]=2 146 B5R0.5 CC(C)C(I)I SY248412 [0,1,0,0,0,0|1,0,1]=3 147 B5R0.5 CC(C)C(N)=O SY015332 [0,1,0,0,0,0|0,0,0]=1 148 B5R0.5 CC(C)[C@H](C)N SY059202 [0,1,0,0,0,0|1,0,1]=3 149 B5R0.5 CC(N)C(=O)O SY005245 [0,1,0,0,0,0|1,0,0]=2 150 B5R0.5 CC(N)C(N)=O SY012823 [0,1,0,0,0,0|1,0,0]=2 151 B5R0.5 CC(N)C(N)=O SY027188 [0,1,0,0,0,0|1,0,0]=2 152 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [0,1,0,0,0,0|1,0,0]=2 153 B5R0.5 C[C@@H](N)C(=O)O SY002277 [0,1,0,0,0,0|1,0,0]=2 154 B5R0.5 C[C@@H](N)C(N)=O SY030965 [0,1,0,0,0,0|1,0,0]=2 155 B5R0.5 C[C@@H](N)C(N)=O SY111070 [0,1,0,0,0,0|1,0,0]=2 156 B5R0.5 C[C@@H](O)C(N)=O SY022608 [0,1,0,0,0,0|1,0,0]=2 157 B5R0.5 C[C@@H](O)[C@@H](C)O SY047189 [0,1,0,0,0,0|1,0,2]=4 158 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [0,1,0,0,0,0|1,0,0]=2 159 B5R0.5 C[C@H](N)C(N)=O SY031439 [0,1,0,0,0,0|1,0,0]=2 160 B5R0.5 C[C@H](O)[C@H](C)O SY057405 [0,1,0,0,0,0|1,0,2]=4 161 B5R0.5 O=C(O)C(F)Br SY040308 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.5 O=C(O)C(F)Cl SY275169 [0,1,0,0,0,0|2,0,0]=3 163 B5R0.5 O=C(O)[C@@H](F)Cl SY276751 [0,1,0,0,0,0|2,0,0]=3 164 B5R0.5 O=C(O)[C@H](F)Cl SY276752 [0,1,0,0,0,0|2,0,0]=3 165 B5R1.2 BrC1CCC1 SY013810 [0,0,0,1,0,0|2,0,1]=4 166 B5R1.2 BrC1CNC1 SY097761 [0,0,0,1,0,0|2,0,1]=4 167 B5R1.2 CC1CCN1 SY099118 [0,0,0,1,0,0|2,0,0]=3 168 B5R1.2 CC1CNC1 SY056983 [0,0,0,1,0,0|1,0,1]=3 169 B5R1.2 C[C@@H]1CCN1 SY261901 [0,0,0,1,0,0|2,0,0]=3 170 B5R1.2 C[C@H]1CCN1 SY249704 [0,0,0,1,0,0|2,0,0]=3 171 B5R1.2 ClC1COC1 SY059296 [0,0,0,1,0,0|1,0,2]=4 172 B5R1.2 FC1CNC1 SY018074 [0,0,0,1,0,0|2,0,1]=4 173 B5R1.2 IC1CCC1 SY233989 [0,0,0,1,0,0|2,0,1]=4 174 B5R1.2 IC1COC1 SY009160 [0,0,0,1,0,0|1,0,2]=4 175 B5R1.2 NC1CCC1 SY013751 [0,0,0,1,0,0|2,0,1]=4 176 B5R1.2 NC1CNC1 SY033623 [0,0,0,1,0,0|2,0,1]=4 177 B5R1.2 NC1COC1 SY009105 [0,0,0,1,0,0|1,0,2]=4 178 B5R1.2 NC1CSC1 SY097616 [0,0,0,1,0,0|1,1,1]=4 179 B5R1.2 OC1CNC1 SY002482 [0,0,0,1,0,0|2,0,1]=4 180 B5R1.2 OC1COC1 SY002910 [0,0,0,1,0,0|1,0,2]=4 181 B5R1.2 OC1CSC1 SY099721 [0,0,0,1,0,0|1,1,1]=4 182 B5R1.3 ICC1CC1 SY266775 [0,0,0,1,0,0|1,0,1]=3 183 B5R1.3 NNC1CC1 SY024161 [0,0,0,1,0,0|2,0,0]=3 184 B5R1.3 OC[C@@H]1CO1 SY013955 [0,0,0,1,0,0|1,0,2]=4 185 B5R1.3 OC[C@H]1CO1 SY031944 [0,0,0,1,0,0|1,0,2]=4 186 B5R1.4 C[C@@H]1O[C@H]1C SY224137 [0,0,0,1,0,0|2,0,1]=4 187 B5R1.4 NC1CC1F SY265040 [0,0,0,1,0,0|2,0,1]=4 188 B5R1.4 NC1CC1N SY249366 [0,0,0,1,0,0|2,0,1]=4 189 B5R1.4 N[C@@H]1C[C@H]1F SY259032 [0,0,0,1,0,0|2,0,1]=4 190 B5R1.4 N[C@@H]1C[C@H]1N SY253855 [0,0,0,1,0,0|2,0,1]=4 191 B5R1.4 N[C@H]1C[C@H]1F SY265042 [0,0,0,1,0,0|2,0,1]=4 192 B5R1.4 N[C@H]1C[C@H]1N SY249367 [0,0,0,1,0,0|2,0,1]=4 193 B5R1.5 CC1(N)CC1 SY029028 [0,0,0,1,0,0|2,0,1]=4 194 B5R1.5 CC1(O)CC1 SY022540 [0,0,0,1,0,0|2,0,1]=4 195 B2R0.1 C=NO SY022552 [2,0,0,0,0,0|2,0,0]=4 196 B2R0.1 CC#N SY009905 [2,0,0,0,0,0|1,0,1]=4 197 B2R0.1 CNN SY114943 [2,0,0,0,0,0|2,0,0]=4 198 B2R0.1 CNO SY013476 [2,0,0,0,0,0|1,0,1]=4 199 B2R0.1 FCI SY274057 [2,0,0,0,0,0|2,0,0]=4 200 B2R0.1 N=CN SY007749 [2,0,0,0,0,0|2,0,0]=4 201 B2R0.1 NCN SY106478 [2,0,0,0,0,0|2,0,0]=4 202 B2R0.1 O=C[O-] SY027875 [2,0,0,0,0,0|1,0,0]=3 203 B2R0.1 O=N[O-] SY010058 [2,0,0,0,0,0|2,0,0]=4 204 B2R0.1 O=[Ru]=O SY009293 [2,0,0,0,0,0|2,0,0]=4 205 B2R0.1 O=[Ru]=O SY010110 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.2 BrCCCI SY288042 [1,1,0,0,0,0|1,0,1]=4 207 B4R0.2 C#CCCI SY026540 [1,1,0,0,0,0|1,0,1]=4 208 B4R0.2 C#CCCN SY007229 [1,1,0,0,0,0|1,0,1]=4 209 B4R0.2 C=CCCN SY036713 [1,1,0,0,0,0|1,0,0]=3 210 B4R0.2 C=CCNN SY076022 [1,1,0,0,0,0|2,0,0]=4 211 B4R0.2 C=CCON SY029026 [1,1,0,0,0,0|2,0,0]=4 212 B4R0.2 CC=CC[Pd+2] SY070788 [1,1,0,0,0,0|1,0,1]=4 213 B4R0.2 CCCNN SY048075 [1,1,0,0,0,0|1,0,1]=4 214 B4R0.2 CCCON SY096737 [1,1,0,0,0,0|0,0,2]=4 215 B4R0.2 CCOC=N SY041120 [1,1,0,0,0,0|1,0,0]=3 216 B4R0.2 CNCC#N SY003939 [1,1,0,0,0,0|1,0,1]=4 217 B4R0.2 CNCCBr SY044997 [1,1,0,0,0,0|1,0,1]=4 218 B4R0.2 CNCCF SY122542 [1,1,0,0,0,0|1,0,1]=4 219 B4R0.2 CNCCN SY023647 [1,1,0,0,0,0|1,0,1]=4 220 B4R0.2 COCC#N SY003878 [1,1,0,0,0,0|1,0,1]=4 221 B4R0.2 COCCI SY248715 [1,1,0,0,0,0|1,0,1]=4 222 B4R0.2 ClCCCI SY031611 [1,1,0,0,0,0|1,0,1]=4 223 B4R0.2 FCCCI SY025148 [1,1,0,0,0,0|1,0,1]=4 224 B4R0.2 ICCCI SY045006 [1,1,0,0,0,0|1,0,1]=4 225 B4R0.2 N#CCCO SY005485 [1,1,0,0,0,0|1,0,1]=4 226 B4R0.2 NCCCBr SY008325 [1,1,0,0,0,0|1,0,1]=4 227 B4R0.2 NCCCCl SY001694 [1,1,0,0,0,0|1,0,1]=4 228 B4R0.2 NCCCI SY154270 [1,1,0,0,0,0|1,0,1]=4 229 B4R0.2 NOCCO SY007135 [1,1,0,0,0,0|2,0,0]=4 230 B4R0.2 OCCCBr SY001898 [1,1,0,0,0,0|0,0,2]=4 231 B4R0.2 OCCCF SY033053 [1,1,0,0,0,0|0,0,2]=4 232 B4R0.2 OCCCI SY016401 [1,1,0,0,0,0|0,0,2]=4 233 B4R0.3 CS(=O)(=O)[O-] SY003606 [1,1,0,0,0,0|2,0,0]=4 234 B4R0.3 CS(C)(=N)=O SY037343 [1,1,0,0,0,0|1,0,0]=3 235 B4R0.3 CS(N)(=O)=O SY001366 [1,1,0,0,0,0|2,0,0]=4 236 B4R0.3 C[N+](C)(C)C SY037155 [1,1,0,0,0,0|1,0,1]=4 237 B4R0.3 C[N+](C)(C)[O-] SY010773 [1,1,0,0,0,0|1,0,1]=4 238 B4R0.3 C[S+](C)(C)=O SY002188 [1,1,0,0,0,0|1,0,0]=3 239 B4R0.3 C[S+](C)(C)=O SY036350 [1,1,0,0,0,0|1,0,0]=3 240 B4R0.3 C[S+](C)(C)=O SY039178 [1,1,0,0,0,0|1,0,0]=3 241 B6R0.1 C=CC(O)CCC SY048915 [0,2,0,0,0,0|2,0,0]=4 242 B6R0.1 C=CC[C@H](C)C=O SY018347 [0,2,0,0,0,0|0,0,0]=2 243 B6R0.1 CC(=CCBr)CBr SY285202 [0,2,0,0,0,0|1,0,1]=4 244 B6R0.1 CCCC(C)CN SY271841 [0,2,0,0,0,0|1,0,1]=4 245 B6R0.1 CN(C=O)CCO SY038247 [0,2,0,0,0,0|1,0,0]=3 246 B6R0.1 O=CC[C@H](O)CCl SY285776 [0,2,0,0,0,0|1,0,0]=3 247 B6R0.2 CC(=O)NC(C)C SY107538 [0,2,0,0,0,0|0,0,0]=2 248 B6R0.2 CC(=O)OC(C)Br SY067153 [0,2,0,0,0,0|1,0,0]=3 249 B6R0.2 CC(=O)\C=C(\C)[O-] SY008855 [0,2,0,0,0,0|1,0,1]=4 250 B6R0.2 CC(=O)\C=C(\C)[O-] SY010105 [0,2,0,0,0,0|1,0,1]=4 251 B6R0.2 CC(=O)\C=C(\C)[O-] SY010217 [0,2,0,0,0,0|1,0,1]=4 252 B6R0.2 CC(=O)\C=C(\C)[O-] SY010282 [0,2,0,0,0,0|1,0,1]=4 253 B6R0.2 CC(=O)\C=C(\C)[O-] SY011804 [0,2,0,0,0,0|1,0,1]=4 254 B6R0.2 CC(=O)\C=C(\C)[O-] SY072898 [0,2,0,0,0,0|1,0,1]=4 255 B6R0.2 CC(=O)\C=C(\C)[O-] SY107884 [0,2,0,0,0,0|1,0,1]=4 256 B6R0.2 CC(C)=CB(O)O SY064246 [0,2,0,0,0,0|0,0,2]=4 257 B6R0.2 CC(C)CB(O)O SY002441 [0,2,0,0,0,0|0,0,2]=4 258 B6R0.2 CC(C)NC(C)C SY110478 [0,2,0,0,0,0|1,0,1]=4 259 B6R0.2 CC(C)NC(C)C SY235485 [0,2,0,0,0,0|1,0,1]=4 260 B6R0.2 CC(C)[NH2+]C(C)C SY037975 [0,2,0,0,0,0|1,0,1]=4 261 B6R0.2 CC(Cl)CC(=O)Cl SY222037 [0,2,0,0,0,0|1,0,0]=3 262 B6R0.2 CC(N)CC(=O)O SY022577 [0,2,0,0,0,0|1,0,0]=3 263 B6R0.2 CN(C)CC(=O)O SY001194 [0,2,0,0,0,0|1,0,0]=3 264 B6R0.2 CN(C)CC(=O)O SY005006 [0,2,0,0,0,0|1,0,0]=3 265 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [0,2,0,0,0,0|1,0,0]=3 266 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [0,2,0,0,0,0|1,0,0]=3 267 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [0,2,0,0,0,0|1,0,0]=3 268 B6R0.2 C[C@H](N)CC(=O)O SY022578 [0,2,0,0,0,0|1,0,0]=3 269 B6R0.2 C[C@H](N)CC(=O)O SY025782 [0,2,0,0,0,0|1,0,0]=3 270 B6R0.3 C=C[C@H](C)[C@H](C)O SY267898 [0,2,0,0,0,0|1,0,0]=3 271 B6R0.3 CC(C)C(=N)NO SY010510 [0,2,0,0,0,0|0,0,1]=3 272 B6R0.3 CC(C)C(=N)NO SY129127 [0,2,0,0,0,0|0,0,1]=3 273 B6R0.3 CC(C)C(=O)CN SY186390 [0,2,0,0,0,0|0,0,0]=2 274 B6R0.3 CC(C)C(=O)NN SY041947 [0,2,0,0,0,0|0,0,0]=2 275 B6R0.3 CC(C)C(N)CF SY045876 [0,2,0,0,0,0|1,0,1]=4 276 B6R0.3 CC(C)C(N)CO SY006455 [0,2,0,0,0,0|0,0,2]=4 277 B6R0.3 CC(C)N(C)N=O SY264258 [0,2,0,0,0,0|1,0,0]=3 278 B6R0.3 CC(C)[C@@H](N)CF SY045875 [0,2,0,0,0,0|1,0,1]=4 279 B6R0.3 CC(C)[C@@H](N)CO SY006320 [0,2,0,0,0,0|0,0,2]=4 280 B6R0.3 CC(C)[C@H](N)CF SY045871 [0,2,0,0,0,0|1,0,1]=4 281 B6R0.3 CC(C)[C@H](N)CO SY003828 [0,2,0,0,0,0|0,0,2]=4 282 B6R0.3 CCC(=O)C(=O)O SY011034 [0,2,0,0,0,0|1,0,1]=4 283 B6R0.3 CCC(=O)N(C)C SY036870 [0,2,0,0,0,0|1,0,0]=3 284 B6R0.3 CCC(Br)C(N)=O SY031102 [0,2,0,0,0,0|1,0,0]=3 285 B6R0.3 CCC(C)B(O)O SY030879 [0,2,0,0,0,0|1,0,1]=4 286 B6R0.3 CCC(N)C(=O)O SY005223 [0,2,0,0,0,0|1,0,0]=3 287 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [0,2,0,0,0,0|1,0,0]=3 288 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [0,2,0,0,0,0|0,0,0]=2 289 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [0,2,0,0,0,0|1,0,0]=3 290 B6R0.3 CC[C@@H](N)C(N)=O SY108293 [0,2,0,0,0,0|1,0,0]=3 291 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [0,2,0,0,0,0|1,0,0]=3 292 B6R0.3 CC[C@H](N)C(=O)O SY002291 [0,2,0,0,0,0|1,0,0]=3 293 B6R0.3 CC[C@H](N)C(N)=O SY020529 [0,2,0,0,0,0|1,0,0]=3 294 B6R0.3 CC[C@H](O)C(=O)O SY066872 [0,2,0,0,0,0|1,0,0]=3 295 B6R0.3 CN(C)C(=O)CBr SY031848 [0,2,0,0,0,0|1,0,0]=3 296 B6R0.3 CN(C)C(=O)CCl SY004159 [0,2,0,0,0,0|1,0,0]=3 297 B6R0.3 CN(C)C(=O)CN SY109935 [0,2,0,0,0,0|1,0,0]=3 298 B6R0.3 CNC(C)C(=O)O SY006014 [0,2,0,0,0,0|0,0,0]=2 299 B6R0.3 CN[C@@H](C)C(=O)O SY024215 [0,2,0,0,0,0|0,0,0]=2 300 B6R0.3 CN[C@H](C)C(=O)O SY024216 [0,2,0,0,0,0|0,0,0]=2 301 B6R0.3 COC(=N)C(C)C SY274570 [0,2,0,0,0,0|0,0,1]=3 302 B6R0.3 COC(=O)C(Br)Br SY264751 [0,2,0,0,0,0|2,0,0]=4 303 B6R0.3 COC(=O)C(C)N SY008132 [0,2,0,0,0,0|1,0,0]=3 304 B6R0.3 COC(=O)[C@@H](C)N SY008138 [0,2,0,0,0,0|1,0,0]=3 305 B6R0.3 COC(=O)[C@H](C)N SY005420 [0,2,0,0,0,0|1,0,0]=3 306 B6R0.3 COC(C)C(=O)O SY034306 [0,2,0,0,0,0|0,0,0]=2 307 B6R0.3 CON(C)C(C)=O SY004033 [0,2,0,0,0,0|1,0,0]=3 308 B6R0.3 CO[C@@H](C)C(=O)O SY028415 [0,2,0,0,0,0|0,0,0]=2 309 B6R0.3 C[C@@H](CN)C(=O)O SY127503 [0,2,0,0,0,0|0,0,0]=2 310 B6R0.3 C[C@@H](CN)C(=O)O SY245999 [0,2,0,0,0,0|0,0,0]=2 311 B6R0.3 C[C@@H](ON)C(=O)O SY286465 [0,2,0,0,0,0|1,0,0]=3 312 B6R0.3 C[C@H](CN)C(=O)O SY020274 [0,2,0,0,0,0|0,0,0]=2 313 B6R0.3 C[C@H](CN)C(=O)O SY105716 [0,2,0,0,0,0|0,0,0]=2 314 B6R0.3 C[C@H](ON)C(=O)O SY286489 [0,2,0,0,0,0|1,0,0]=3 315 B6R0.3 C\C=C(\C)C(=O)O SY053021 [0,2,0,0,0,0|0,0,1]=3 316 B6R0.3 NC(=O)[C@@H](N)CO SY034139 [0,2,0,0,0,0|1,0,0]=3 317 B6R0.3 NC(CO)C(=O)O SY003812 [0,2,0,0,0,0|1,0,0]=3 318 B6R0.3 NC(CS)C(=O)O SY009625 [0,2,0,0,0,0|1,0,0]=3 319 B6R0.3 NCC(Br)C(=O)O SY297906 [0,2,0,0,0,0|1,0,0]=3 320 B6R0.3 NCC(N)C(=O)O SY017516 [0,2,0,0,0,0|1,0,0]=3 321 B6R0.3 NCC(O)C(=O)O SY007745 [0,2,0,0,0,0|1,0,0]=3 322 B6R0.3 NC[C@@H](N)C(=O)O SY017514 [0,2,0,0,0,0|1,0,0]=3 323 B6R0.3 NC[C@H](N)C(=O)O SY017515 [0,2,0,0,0,0|1,0,0]=3 324 B6R0.3 NC[C@H](O)C(=O)O SY013665 [0,2,0,0,0,0|1,0,0]=3 325 B6R0.3 N[C@@H](CCl)C(=O)O SY034145 [0,2,0,0,0,0|1,0,0]=3 326 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [0,2,0,0,0,0|1,0,0]=3 327 B6R0.3 N[C@@H](CS)C(=O)O SY061564 [0,2,0,0,0,0|1,0,0]=3 328 B6R0.3 N[C@H](CCl)C(=O)O SY034148 [0,2,0,0,0,0|1,0,0]=3 329 B6R0.3 N[C@H](CO)C(=O)O SY005114 [0,2,0,0,0,0|1,0,0]=3 330 B6R0.3 N[C@H](CS)C(=O)O SY033289 [0,2,0,0,0,0|1,0,0]=3 331 B6R0.3 N[C@H](CS)C(=O)O SY033653 [0,2,0,0,0,0|1,0,0]=3 332 B6R0.3 O=C(CBr)C(F)F SY248032 [0,2,0,0,0,0|2,0,0]=4 333 B6R0.3 O=C(O)C(Br)CO SY261671 [0,2,0,0,0,0|1,0,0]=3 334 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [0,2,0,0,0,0|1,0,0]=3 335 B6R0.4 C=CCC[C@H](C)O SY307699 [0,2,0,0,0,0|2,0,0]=4 336 B6R0.4 CC(C)CCCO SY016761 [0,2,0,0,0,0|0,0,2]=4 337 B6R0.4 CC(C)CCNN SY048082 [0,2,0,0,0,0|1,0,1]=4 338 B6R0.4 CC(C)CCON SY045359 [0,2,0,0,0,0|0,0,2]=4 339 B6R0.4 CC(C)CCON SY281670 [0,2,0,0,0,0|0,0,2]=4 340 B6R0.4 CC(C)NCCCl SY028925 [0,2,0,0,0,0|1,0,1]=4 341 B6R0.4 CC(C)OCC=O SY269035 [0,2,0,0,0,0|0,0,0]=2 342 B6R0.4 CC(C)OCCBr SY031858 [0,2,0,0,0,0|1,0,1]=4 343 B6R0.4 CN(C)CCC=O SY022382 [0,2,0,0,0,0|1,0,0]=3 344 B6R0.5 C=CCC(C)(C)N SY264947 [0,2,0,0,0,0|1,0,0]=3 345 B6R0.5 CC(C)(C)CCBr SY031960 [0,2,0,0,0,0|1,0,1]=4 346 B6R0.5 CC(C)(C)CCN SY123555 [0,2,0,0,0,0|1,0,1]=4 347 B6R0.5 CC(C)(C)CON SY149479 [0,2,0,0,0,0|0,0,2]=4 348 B6R0.5 CC(C)(C)CON SY281749 [0,2,0,0,0,0|0,0,2]=4 349 B6R0.5 CC(C)(I)CCO SY248398 [0,2,0,0,0,0|0,0,2]=4 350 B6R0.5 CC(C)(N)CCO SY025601 [0,2,0,0,0,0|0,0,2]=4 351 B6R0.5 CC(C)(N)CCO SY029973 [0,2,0,0,0,0|0,0,2]=4 352 B6R0.5 CC(C)(O)CCBr SY043014 [0,2,0,0,0,0|1,0,1]=4 353 B6R0.5 CC(C)(O)CON SY164879 [0,2,0,0,0,0|0,0,2]=4 354 B6R0.5 CNCC(C)(C)O SY123563 [0,2,0,0,0,0|1,0,1]=4 355 B6R0.5 COCC(C)(C)N SY023626 [0,2,0,0,0,0|0,0,2]=4 356 B6R0.5 COCC(C)(C)N SY026408 [0,2,0,0,0,0|0,0,2]=4 357 B6R0.5 COCC(C)(C)O SY285974 [0,2,0,0,0,0|0,0,2]=4 358 B6R0.5 CSCC(C)(C)N SY196988 [0,2,0,0,0,0|0,1,1]=4 359 B6R0.8 C#CC(C)(N)CC SY027300 [0,2,0,0,0,0|1,0,1]=4 360 B6R0.8 C=CC(C)(O)CBr SY266264 [0,2,0,0,0,0|1,0,0]=3 361 B6R0.8 CC(C)(C#N)C#N SY224275 [0,2,0,0,0,0|1,0,1]=4 362 B6R0.8 CC(C)(C#N)CBr SY250128 [0,2,0,0,0,0|1,0,1]=4 363 B6R0.8 CC(C)(C#N)CO SY045527 [0,2,0,0,0,0|0,0,2]=4 364 B6R0.8 CC(C)(C=O)CO SY107563 [0,2,0,0,0,0|0,0,0]=2 365 B6R0.8 CC(C)(CBr)CBr SY038454 [0,2,0,0,0,0|1,0,1]=4 366 B6R0.8 CC(C)(CN)CF SY276712 [0,2,0,0,0,0|1,0,1]=4 367 B6R0.8 CC(C)(CO)CBr SY039504 [0,2,0,0,0,0|0,0,2]=4 368 B6R0.8 CC(O)(CO)CO SY224166 [0,2,0,0,0,0|0,0,2]=4 369 B6R0.8 CCC(C)(N)C#N SY026944 [0,2,0,0,0,0|1,0,1]=4 370 B6R0.8 CNC(C)(C)CBr SY283913 [0,2,0,0,0,0|1,0,1]=4 371 B6R0.8 CNC(C)(C)CO SY033902 [0,2,0,0,0,0|0,0,2]=4 372 B6R0.8 COC(C)(C)CBr SY007681 [0,2,0,0,0,0|1,0,1]=4 373 B6R0.8 COC(C)(C)CN SY195711 [0,2,0,0,0,0|1,0,1]=4 374 B6R0.8 COC(C)(C)CO SY162215 [0,2,0,0,0,0|0,0,2]=4 375 B6R0.9 CCC(C#N)CC SY059782 [0,2,0,0,0,0|1,0,1]=4 376 B6R0.9 CCC(CC)NC SY023477 [0,2,0,0,0,0|1,0,1]=4 377 B6R0.9 CCN(CC)N=O SY053647 [0,2,0,0,0,0|2,0,0]=4 378 B6R0.9 COC(CO)OC SY122147 [0,2,0,0,0,0|0,0,2]=4 379 B6R0.9 C\C=C(\C=O)CC SY265075 [0,2,0,0,0,0|0,0,1]=3 380 B6R0.9 O=CC(C=O)C=O SY027274 [0,2,0,0,0,0|0,0,2]=4 381 B6R0.9 OCC(CO)CO SY026482 [0,2,0,0,0,0|0,0,2]=4 382 B6R0.7 CC(C)(Br)C(N)=O SY025026 [0,2,0,0,0,0|0,0,0]=2 383 B6R0.7 CC(C)(C)C(=N)N SY011893 [0,2,0,0,0,0|1,0,0]=3 384 B6R0.7 CC(C)(C)C(=O)[O-] SY011635 [0,2,0,0,0,0|0,0,0]=2 385 B6R0.7 CC(C)(C)C(=O)[O-] SY073914 [0,2,0,0,0,0|0,0,0]=2 386 B6R0.7 CC(C)(C)C(=O)[O-] SY224393 [0,2,0,0,0,0|0,0,0]=2 387 B6R0.7 CC(C)(C)C(N)=O SY037452 [0,2,0,0,0,0|0,0,0]=2 388 B6R0.7 CC(C)(C)S(N)=O SY012206 [0,2,0,0,0,0|1,0,0]=3 389 B6R0.7 CC(C)(C)[S@@](N)=O SY008236 [0,2,0,0,0,0|1,0,0]=3 390 B6R0.7 CC(C)(C)[S@](N)=O SY006657 [0,2,0,0,0,0|1,0,0]=3 391 B6R0.7 CC(C)(Cl)C(=O)Cl SY247727 [0,2,0,0,0,0|0,0,0]=2 392 B6R0.7 CC(C)(N)C(=O)O SY002590 [0,2,0,0,0,0|0,0,0]=2 393 B6R0.7 CC(C)(N)C(N)=O SY026852 [0,2,0,0,0,0|0,0,0]=2 394 B6R0.7 CC(C)(O)C(=O)O SY001526 [0,2,0,0,0,0|0,0,0]=2 395 B6R0.7 CC(C)(O)C(N)=O SY035592 [0,2,0,0,0,0|0,0,0]=2 396 B6R0.7 CC(C)[B-](F)(F)F SY069861 [0,2,0,0,0,0|2,0,0]=4 397 B6R0.7 CC(N)C(C)(C)O SY180465 [0,2,0,0,0,0|1,0,1]=4 398 B6R0.7 CC(O)C(C)(C)N SY146666 [0,2,0,0,0,0|0,0,2]=4 399 B6R0.7 CN(C)S(N)(=O)=O SY030363 [0,2,0,0,0,0|2,0,0]=4 400 B6R0.7 O=C(O)C(F)(F)F SY102042 [0,2,0,0,0,0|2,0,0]=4 401 B6R0.7 O=C([O-])C(F)(F)Br SY103913 [0,2,0,0,0,0|2,0,0]=4 402 B6R0.7 O=C([O-])C(F)(F)Cl SY008049 [0,2,0,0,0,0|2,0,0]=4 403 B6R0.7 O=C([O-])C(F)(F)F SY001632 [0,2,0,0,0,0|2,0,0]=4 404 B6R0.7 O=C([O-])C(F)(F)F SY108362 [0,2,0,0,0,0|2,0,0]=4 405 B4R1.2 IC1CC1 SY046875 [1,0,0,1,0,0|1,0,1]=4 406 B4R1.2 O=C1CC1 SY037762 [1,0,0,1,0,0|0,0,0]=2 407 B4R1.2 OC1CC1 SY028267 [1,0,0,1,0,0|0,0,2]=4 408 B6R1.2 CC1CCCN1 SY042657 [0,1,0,1,0,0|1,0,1]=4 409 B6R1.2 C[C@@H]1CCCN1 SY019809 [0,1,0,1,0,0|1,0,1]=4 410 B6R1.2 C[C@@H]1CCNC1 SY097390 [0,1,0,1,0,0|1,0,1]=4 411 B6R1.2 C[C@H]1CCCN1 SY019821 [0,1,0,1,0,0|1,0,1]=4 412 B6R1.2 C[C@H]1CCNC1 SY097402 [0,1,0,1,0,0|1,0,1]=4 413 B6R1.2 NC1CC=CC1 SY019807 [0,1,0,1,0,0|2,0,0]=4 414 B6R1.2 OC1CC=CC1 SY007884 [0,1,0,1,0,0|2,0,0]=4 415 B6R1.3 BrC#CC1CC1 SY018270 [0,1,0,1,0,0|1,0,1]=4 416 B6R1.3 BrCCC1CC1 SY023093 [0,1,0,1,0,0|1,0,1]=4 417 B6R1.3 CCNC1CC1 SY027577 [0,1,0,1,0,0|1,0,1]=4 418 B6R1.3 CCNC1CC1 SY027695 [0,1,0,1,0,0|1,0,1]=4 419 B6R1.3 CNCC1CC1 SY029533 [0,1,0,1,0,0|1,0,1]=4 420 B6R1.3 CNCC1CC1 SY029534 [0,1,0,1,0,0|1,0,1]=4 421 B6R1.3 N#CCC1CC1 SY058947 [0,1,0,1,0,0|1,0,1]=4 422 B6R1.3 NCCC1CC1 SY042128 [0,1,0,1,0,0|1,0,1]=4 423 B6R1.3 NNCC1CC1 SY013383 [0,1,0,1,0,0|1,0,1]=4 424 B6R1.3 NNCC1CC1 SY042147 [0,1,0,1,0,0|1,0,1]=4 425 B6R1.3 NOCC1CC1 SY101356 [0,1,0,1,0,0|0,0,2]=4 426 B6R1.3 O=C=NC1CC1 SY008162 [0,1,0,1,0,0|0,0,1]=3 427 B6R1.3 OCCC1CC1 SY041938 [0,1,0,1,0,0|0,0,2]=4 428 B6R1.5 CC1CC(O)C1 SY203262 [0,1,0,1,0,0|0,0,2]=4 429 B6R1.5 C[C@H]1C[C@H](C)N1 SY310795 [0,1,0,1,0,0|1,0,1]=4 430 B6R1.5 NC1CC(=O)C1 SY022838 [0,1,0,1,0,0|1,0,0]=3 431 B6R1.5 O=C1CC(Br)C1 SY029031 [0,1,0,1,0,0|1,0,0]=3 432 B6R1.10 CC1(C)CCN1 SY310792 [0,1,0,1,0,0|1,0,1]=4 433 B6R1.10 CC1(C)CNC1 SY026161 [0,1,0,1,0,0|1,0,1]=4 434 B6R1.10 CC1(F)CNC1 SY042333 [0,1,0,1,0,0|1,0,1]=4 435 B6R1.10 CC1(N)CCC1 SY025586 [0,1,0,1,0,0|1,0,1]=4 436 B6R1.10 CC1(N)COC1 SY051262 [0,1,0,1,0,0|0,0,2]=4 437 B6R1.10 CC1(N)COC1 SY097567 [0,1,0,1,0,0|0,0,2]=4 438 B6R1.10 CC1(O)CCC1 SY196215 [0,1,0,1,0,0|1,0,1]=4 439 B6R1.10 CC1(O)CNC1 SY035860 [0,1,0,1,0,0|1,0,1]=4 440 B6R1.10 CC1(O)CNC1 SY111204 [0,1,0,1,0,0|1,0,1]=4 441 B6R1.10 CC1(O)COC1 SY097550 [0,1,0,1,0,0|0,0,2]=4 442 B6R1.11 CC(N)C1CC1 SY023598 [0,1,0,1,0,0|1,0,1]=4 443 B6R1.11 C[C@@H](N)C1CC1 SY111958 [0,1,0,1,0,0|1,0,1]=4 444 B6R1.11 C[C@H](N)C1CC1 SY099127 [0,1,0,1,0,0|1,0,1]=4 445 B6R1.11 N=C(N)C1CC1 SY018430 [0,1,0,1,0,0|1,0,0]=3 446 B6R1.11 NC(=O)C1CC1 SY018785 [0,1,0,1,0,0|0,0,0]=2 447 B6R1.11 NC(=S)C1CC1 SY083849 [0,1,0,1,0,0|0,1,0]=3 448 B6R1.11 O=C(O)[C@H]1CO1 SY289468 [0,1,0,1,0,0|1,0,0]=3 449 B6R1.11 O=S([O-])C1CC1 SY005658 [0,1,0,1,0,0|1,0,0]=3 450 B6R1.11 OB(O)C1CC1 SY004028 [0,1,0,1,0,0|1,0,1]=4 451 B6R1.4 CC1CCC1O SY161762 [0,1,0,1,0,0|0,0,2]=4 452 B6R1.4 C[C@@H]1NC[C@@H]1F SY310794 [0,1,0,1,0,0|1,0,1]=4 453 B6R1.4 C[C@@H]1NC[C@H]1F SY310804 [0,1,0,1,0,0|1,0,1]=4 454 B6R1.4 C[C@@H]1NC[C@H]1O SY310807 [0,1,0,1,0,0|0,0,2]=4 455 B6R1.4 O=C1CCC1Br SY234041 [0,1,0,1,0,0|1,0,0]=3 456 B6R1.6 BrCC1CNC1 SY267476 [0,1,0,1,0,0|1,0,1]=4 457 B6R1.6 BrCC1COC1 SY059797 [0,1,0,1,0,0|0,0,2]=4 458 B6R1.6 C#CC1CCO1 SY284813 [0,1,0,1,0,0|1,0,1]=4 459 B6R1.6 C#CC1CNC1 SY233830 [0,1,0,1,0,0|1,0,1]=4 460 B6R1.6 C#CC1CNC1 SY284819 [0,1,0,1,0,0|1,0,1]=4 461 B6R1.6 C#CC1COC1 SY234079 [0,1,0,1,0,0|1,0,1]=4 462 B6R1.6 CNC1COC1 SY047195 [0,1,0,1,0,0|0,0,2]=4 463 B6R1.6 COC1CNC1 SY021482 [0,1,0,1,0,0|1,0,1]=4 464 B6R1.6 FCC1CNC1 SY127600 [0,1,0,1,0,0|1,0,1]=4 465 B6R1.6 ICC1CCC1 SY073415 [0,1,0,1,0,0|1,0,1]=4 466 B6R1.6 N#CC1CNC1 SY032760 [0,1,0,1,0,0|1,0,1]=4 467 B6R1.6 N#CC1COC1 SY226783 [0,1,0,1,0,0|1,0,1]=4 468 B6R1.6 NCC1CCC1 SY035875 [0,1,0,1,0,0|1,0,1]=4 469 B6R1.6 NCC1CCO1 SY035857 [0,1,0,1,0,0|1,0,1]=4 470 B6R1.6 NCC1COC1 SY025447 [0,1,0,1,0,0|0,0,2]=4 471 B6R1.6 NCC1COC1 SY098725 [0,1,0,1,0,0|0,0,2]=4 472 B6R1.6 NC[C@@H]1CCO1 SY250609 [0,1,0,1,0,0|1,0,1]=4 473 B6R1.6 NC[C@H]1CCO1 SY262606 [0,1,0,1,0,0|1,0,1]=4 474 B6R1.6 O=CC1CCC1 SY019700 [0,1,0,1,0,0|0,0,0]=2 475 B6R1.6 O=CC1COC1 SY097875 [0,1,0,1,0,0|0,0,0]=2 476 B6R1.6 OCC1CCO1 SY042053 [0,1,0,1,0,0|0,0,2]=4 477 B6R1.6 OCC1CNC1 SY024106 [0,1,0,1,0,0|0,0,2]=4 478 B6R1.6 OCC1COC1 SY009472 [0,1,0,1,0,0|0,0,2]=4 479 B6R1.6 OC[C@@H]1CCO1 SY270417 [0,1,0,1,0,0|0,0,2]=4 480 B6R1.7 C#CC1(C)CC1 SY058218 [0,1,0,1,0,0|1,0,1]=4 481 B6R1.7 C#CC1(N)CC1 SY099197 [0,1,0,1,0,0|1,0,1]=4 482 B6R1.7 CC1(C=O)CC1 SY310800 [0,1,0,1,0,0|0,0,0]=2 483 B6R1.7 CC1(CBr)CO1 SY247742 [0,1,0,1,0,0|0,0,2]=4 484 B6R1.7 CC1(CN)CC1 SY029652 [0,1,0,1,0,0|1,0,1]=4 485 B6R1.7 CC1(CO)CC1 SY029659 [0,1,0,1,0,0|0,0,2]=4 486 B6R1.7 CC1(CO)CO1 SY028746 [0,1,0,1,0,0|0,0,2]=4 487 B6R1.7 C[C@]1(CO)CO1 SY028745 [0,1,0,1,0,0|0,0,2]=4 488 B6R1.7 N#CC1(N)CC1 SY015717 [0,1,0,1,0,0|1,0,1]=4 489 B6R1.7 NC1(CF)CC1 SY040347 [0,1,0,1,0,0|1,0,1]=4 490 B6R1.7 NC1(CO)CC1 SY017513 [0,1,0,1,0,0|0,0,2]=4 491 B6R1.7 NC1(CO)CC1 SY047102 [0,1,0,1,0,0|0,0,2]=4 492 B6R1.7 NCC1(O)CC1 SY040047 [0,1,0,1,0,0|1,0,1]=4 493 B6R1.7 NCC1(O)CC1 SY102292 [0,1,0,1,0,0|1,0,1]=4 494 B6R1.7 OCC1(F)CC1 SY123971 [0,1,0,1,0,0|0,0,2]=4 495 B6R1.7 OCC1(O)CC1 SY123956 [0,1,0,1,0,0|0,0,2]=4