0 B5R0.1 C=C(C)CCBr SC-26305 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C=C(C)OCC SC-18086 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(=O)CC#N SC-26510 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(=O)CCCl SC-21586 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CC(=O)CCO SC-65678 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 CC(=O)OCBr SC-44237 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.1 CC(=O)\C=N/O SC-89466 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CC(=O)\C=N\O SC-68143 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CC(C)=CC#N SC-47932 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 CC(C)=CC=O SC-00290 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.1 CC(C)=CCBr SC-13678 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CC(C)=CCN SC-51952 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CC(C)=CCO SC-77150 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.1 CC(N)CCO SC-82589 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 CCCB(O)O SC-47544 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 CCCC(=N)N SC-19347 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 CCCC(=O)Cl SC-18924 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.1 CCCC(=O)[O-] SC-15718 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 CCCC(C)N SC-53929 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 CCCC(C)O SC-03320 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 CCCC(N)=O SC-46377 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.1 CCNC(C)C SC-84122 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 CCOC(C)=N SC-02547 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 CCOC(C)=N SC-A3540 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 CN(C)CC=O SC-51643 [0,0,0,0,0,0|0,0,2]=2 25 B5R0.1 CN(C)CCBr SC-21756 [0,0,0,0,0,0|1,0,0]=1 26 B5R0.1 CN(C)CCBr SC-27529 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.1 CN(C)CCCl SC-18600 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.1 CN(C)CCCl SC-47184 [0,0,0,0,0,0|1,0,0]=1 29 B5R0.1 CN(C)CCO SC-87330 [0,0,0,0,0,0|0,0,0]=0 30 B5R0.1 COCC(C)N SC-48787 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.1 COCC(C)O SC-00293 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.1 COC[C@@H](C)N SC-47724 [0,0,0,0,0,0|4,0,0]=4 33 B5R0.1 COC[C@@H](C)O SC-04836 [0,0,0,0,0,0|4,0,0]=4 34 B5R0.1 CS(=O)CCN SC-89327 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.1 CSCS(C)=O SC-87090 [0,0,0,0,0,0|4,0,0]=4 36 B5R0.1 C[C@@H](N)CCO SC-48293 [0,0,0,0,0,0|2,0,0]=2 37 B5R0.1 C[C@@H](O)CCO SC-05919 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.1 C[C@H](O)CCO SC-02840 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.1 NCCC(=O)O SC-10014 [0,0,0,0,0,0|4,0,0]=4 40 B5R0.1 NCCC(F)F SC-89198 [0,0,0,0,0,0|4,0,0]=4 41 B5R0.1 NCCC(N)=O SC-48688 [0,0,0,0,0,0|4,0,0]=4 42 B5R0.1 NCCC(N)=O SC-84499 [0,0,0,0,0,0|4,0,0]=4 43 B5R0.1 O=C(Cl)CCCl SC-16310 [0,0,0,0,0,0|4,0,0]=4 44 B5R0.1 O=C(O)CCBr SC-18441 [0,0,0,0,0,0|4,0,0]=4 45 B5R0.1 O=C(O)CCS SC-22642 [0,0,0,0,0,0|3,1,0]=4 46 B4R0.1 C=C(C)CBr SC-50158 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 C=C(C)CF SC-89300 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 C=C(C)CN SC-43404 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 C=C(C)CN SC-84159 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 CC(=O)CBr SC-20936 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 CC(=O)CN SC-28532 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 CC(=O)CN SC-89750 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 CC(=O)NO SC-18498 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.1 CC(Br)CO SC-A3571 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 CC(C)=CBr SC-52196 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 CC(C)=NN SC-92874 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 CC(C)=NO SC-25907 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 CC(C)NN SC-21077 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 CC(C)NN SC-73657 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 CC(C)NO SC-A3794 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 CC(C)ON SC-87607 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 CC(N)CO SC-18397 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 CC(S)CS SC-A2768 [1,0,0,0,0,0|2,1,0]=4 64 B4R0.1 CCB(O)O SC-04516 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.1 CCC(=N)N SC-53846 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 CCC(=O)O SC-22887 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.1 CCC(=O)[O-] SC-47286 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.1 CCC(C)O SC-01234 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.1 CCC(N)=O SC-18213 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.1 CCS(=O)[O-] SC-20356 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.1 CC[C@H](C)N SC-81828 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 CC[C@H](C)O SC-04418 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 CNC(C)C SC-04732 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 CNN(C)C SC-41461 [1,0,0,0,0,0|1,0,0]=2 75 B4R0.1 C[C@@H](N)CN SC-08946 [1,0,0,0,0,0|3,0,0]=4 76 B4R0.1 C[C@@H](N)CO SC-03772 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.1 C[C@@H](O)CN SC-03087 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 C[C@@H](O)CO SC-04433 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.1 C[C@H](Cl)CO SC-98590 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.1 C[C@H](N)CN SC-08947 [1,0,0,0,0,0|3,0,0]=4 81 B4R0.1 C[C@H](N)CO SC-03066 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.1 C[C@H](O)CCl SC-99597 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.1 C[C@H](O)CN SC-03088 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.1 C[C@H](O)CO SC-04434 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.1 C\C(N)=N\O SC-29589 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.1 C\C=C(\C)Br SC-91379 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 N=C(N)CO SC-41719 [1,0,0,0,0,0|3,0,0]=4 88 B4R0.1 N=C(N)CO SC-50460 [1,0,0,0,0,0|3,0,0]=4 89 B4R0.1 O=C(O)CO SC-23119 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.1 O=C(O)CO SC-26092 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.1 OCC(F)F SC-16815 [1,0,0,0,0,0|3,0,0]=4 92 B4R0.2 BrCCCBr SC-79111 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.2 C#CCCBr SC-52138 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 C#CCCN SC-49547 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 C#CCCO SC-17773 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.2 C#CCNC SC-87202 [1,0,0,0,0,0|1,0,1]=3 97 B4R0.2 C#CCNO SC-A2362 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.2 C=CCCCl SC-90795 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.2 C=CCCN SC-48242 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.2 C=CCCN SC-52106 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.2 C=CCCO SC-45284 [1,0,0,0,0,0|1,0,1]=3 102 B4R0.2 C=CCNC SC-05902 [1,0,0,0,0,0|1,0,1]=3 103 B4R0.2 C=CCSC SC-47211 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.2 CC#CCBr SC-13862 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.2 CC#CCO SC-17951 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.2 CCCNC SC-27548 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.2 CCOCC SC-73354 [1,0,0,0,0,0|3,0,0]=4 108 B4R0.2 CNCC#N SC-13788 [1,0,0,0,0,0|1,0,1]=3 109 B4R0.2 CNCCBr SC-98001 [1,0,0,0,0,0|1,0,0]=2 110 B4R0.2 COCC=O SC-48883 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.2 COCCCl SC-05903 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.2 COCCN SC-22236 [1,0,0,0,0,0|2,0,0]=3 113 B4R0.2 CSCCCl SC-53991 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.2 CSCCN SC-28443 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.2 CSCCN SC-83550 [1,0,0,0,0,0|2,0,0]=3 116 B4R0.2 CSCCO SC-19276 [1,0,0,0,0,0|1,0,0]=2 117 B4R0.2 C\C=C/CO SC-69832 [1,0,0,0,0,0|1,0,1]=3 118 B4R0.2 C\C=C\CCl SC-22573 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.2 C\C=C\CO SC-25521 [1,0,0,0,0,0|1,0,1]=3 120 B4R0.2 C\C=C\CO SC-69597 [1,0,0,0,0,0|1,0,1]=3 121 B4R0.2 ClCCCI SC-73683 [1,0,0,0,0,0|3,0,0]=4 122 B4R0.2 FCCCBr SC-49851 [1,0,0,0,0,0|3,0,0]=4 123 B4R0.2 FCCCI SC-84350 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.2 ICCCI SC-89448 [1,0,0,0,0,0|3,0,0]=4 125 B4R0.2 N#CCCBr SC-46247 [1,0,0,0,0,0|3,0,0]=4 126 B4R0.2 NCCCBr SC-39593 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.2 NCCCBr SC-48386 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.2 NCCCCl SC-15218 [1,0,0,0,0,0|3,0,0]=4 129 B4R0.2 NCCCO SC-16407 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.2 NCCCS SC-52748 [1,0,0,0,0,0|2,1,0]=4 131 B4R0.2 NNCCO SC-15469 [1,0,0,0,0,0|1,0,0]=2 132 B4R0.2 NOCCO SC-41192 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.2 O=CCCCl SC-71322 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.2 O=CCCO SC-52939 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.2 OCCCBr SC-13514 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.2 OCCCCl SC-15525 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.2 OCCCF SC-24862 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.2 OCCCI SC-65803 [1,0,0,0,0,0|2,0,0]=3 139 B4R0.2 OCCCO SC-25736 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.2 SCCCS SC-17571 [1,0,0,0,0,0|2,1,0]=4 141 B6R0.1 COC(=O)CCBr SC-18677 [0,1,0,0,0,0|3,0,0]=4 142 B6R0.1 COC(=O)CCN SC-21486 [0,1,0,0,0,0|3,0,0]=4 143 B6R0.1 COC(=O)CCO SC-21690 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.1 O=C(CCl)NCO SC-21590 [0,1,0,0,0,0|3,0,0]=4 145 B6R0.1 OCCC(O)CO SC-15322 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.1 OCC[C@H](O)CO SC-08973 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,1,0,0,0,0|1,0,2]=4 148 B6R0.2 CC(C)CB(O)O SC-06923 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.2 CC(C)NC(C)C SC-18336 [0,1,0,0,0,0|3,0,0]=4 150 B6R0.2 CC(C)OC(C)C SC-65190 [0,1,0,0,0,0|3,0,0]=4 151 B6R0.2 CC(Cl)CN(C)C SC-81232 [0,1,0,0,0,0|1,0,0]=2 152 B6R0.2 CN(C)CC(N)=O SC-89197 [0,1,0,0,0,0|0,0,2]=3 153 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,1,0,0,0,0|1,0,2]=4 158 B6R0.3 CC(C)C(=N)NO SC-29781 [0,1,0,0,0,0|2,0,1]=4 159 B6R0.3 CC(C)C(=O)CBr SC-21776 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.3 CC(C)C(C)NN SC-41530 [0,1,0,0,0,0|3,0,0]=4 161 B6R0.3 CC(C)C(O)CN SC-34918 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.3 CC(C)C(O)CN SC-A3426 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.3 CC(C)[C@@H](N)CO SC-04448 [0,1,0,0,0,0|1,0,0]=2 164 B6R0.3 CC(C)[C@H](N)CO SC-02242 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.3 CN(C)C(=O)CCl SC-25918 [0,1,0,0,0,0|1,0,1]=3 166 B6R0.3 CN(C)C(=O)CN SC-26411 [0,1,0,0,0,0|1,0,1]=3 167 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [0,1,0,0,0,0|3,0,0]=4 168 B6R0.3 NC(CO)C(=O)O SC-09828 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,1,0,0,0,0|3,0,0]=4 170 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [0,1,0,0,0,0|3,0,0]=4 171 B6R0.4 C=C(C)CNCC SC-47240 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.4 CC(=O)CCCBr SC-91341 [0,1,0,0,0,0|3,0,0]=4 173 B6R0.4 CC(=O)NCCN SC-19651 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.4 CC(C)NCCCl SC-96276 [0,1,0,0,0,0|2,0,0]=3 175 B6R0.4 CC(C)OCCBr SC-50384 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.4 CN(C)CCC=O SC-12823 [0,1,0,0,0,0|0,0,1]=2 177 B6R0.4 CN(C)CCCBr SC-12824 [0,1,0,0,0,0|1,0,0]=2 178 B6R0.4 CN(C)CCCBr SC-48972 [0,1,0,0,0,0|1,0,0]=2 179 B6R0.4 CN(C)CCCCl SC-18516 [0,1,0,0,0,0|1,0,0]=2 180 B6R0.4 CN(C)CCCCl SC-53120 [0,1,0,0,0,0|1,0,0]=2 181 B6R0.4 CN(C)\C=C\C#N SC-53543 [0,1,0,0,0,0|1,0,2]=4 182 B6R0.4 CNCCN(C)C SC-29103 [0,1,0,0,0,0|1,0,0]=2 183 B6R0.4 COCCC(=O)O SC-50255 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.4 COCCN(C)C SC-21743 [0,1,0,0,0,0|0,0,0]=1 185 B6R0.5 C=CC[P+](C)(C)C SC-95670 [0,1,0,0,0,0|1,1,1]=4 186 B6R0.5 C=CC[Si](C)(C)C SC-27741 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.5 CC(C)(C)CCCl SC-41626 [0,1,0,0,0,0|2,0,0]=3 188 B6R0.5 CC(C)(N)CCO SC-89270 [0,1,0,0,0,0|1,0,0]=2 189 B6R0.5 CC(C)(O)CC#N SC-65608 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.5 CC(C)(O)CCBr SC-A2798 [0,1,0,0,0,0|2,0,0]=3 191 B6R0.5 CC(C)(O)CCN SC-14242 [0,1,0,0,0,0|2,0,0]=3 192 B6R0.5 CC(C)(O)CCO SC-20680 [0,1,0,0,0,0|1,0,0]=2 193 B6R0.5 CCC[N+](C)(C)C SC-79778 [0,1,0,0,0,0|1,0,1]=3 194 B6R0.5 CCS[Si](C)(C)C SC-90297 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.5 COC[P+](C)(C)C SC-95671 [0,1,0,0,0,0|2,1,0]=4 196 B6R0.5 CS(=O)(=O)CCBr SC-03864 [0,1,0,0,0,0|3,0,0]=4 197 B6R0.5 CS(=O)(=O)CCN SC-12252 [0,1,0,0,0,0|3,0,0]=4 198 B6R0.5 C[N+](C)(C)CCS SC-A2164 [0,1,0,0,0,0|0,1,1]=3 199 B6R0.5 C[Si](C)(C)CCO SC-03182 [0,1,0,0,0,0|1,0,0]=2 200 B6R0.5 O=S(=O)(O)CCO SC-15822 [0,1,0,0,0,0|3,0,0]=4 201 B6R0.5 O=S(=O)([O-])CCO SC-80079 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.5 OCCC(F)(F)F SC-44695 [0,1,0,0,0,0|3,0,0]=4 203 B6R1.2 BrC1CCNC1 SC-24702 [0,0,0,1,0,0|3,0,0]=4 204 B6R1.2 BrC1CCOC1 SC-49709 [0,0,0,1,0,0|2,0,0]=3 205 B6R1.2 CC1=CCCC1 SC-46849 [0,0,0,1,0,0|2,0,1]=4 206 B6R1.2 CC1=NCCC1 SC-07079 [0,0,0,1,0,0|3,0,0]=4 207 B6R1.2 CC1CCCN1 SC-89376 [0,0,0,1,0,0|3,0,0]=4 208 B6R1.2 CC1CCCN1 SC-A3822 [0,0,0,1,0,0|3,0,0]=4 209 B6R1.2 CC1CCNC1 SC-24125 [0,0,0,1,0,0|2,0,0]=3 210 B6R1.2 CC1CCNC1 SC-49333 [0,0,0,1,0,0|2,0,0]=3 211 B6R1.2 CN1CCCC1 SC-19022 [0,0,0,1,0,0|1,0,0]=2 212 B6R1.2 C[C@@H]1CCNC1 SC-23714 [0,0,0,1,0,0|2,0,0]=3 213 B6R1.2 C[C@@H]1CCNC1 SC-50232 [0,0,0,1,0,0|2,0,0]=3 214 B6R1.2 C[C@H]1CCCN1 SC-95860 [0,0,0,1,0,0|3,0,0]=4 215 B6R1.2 C[C@H]1CCNC1 SC-50233 [0,0,0,1,0,0|2,0,0]=3 216 B6R1.2 FC1CCCC1 SC-09548 [0,0,0,1,0,0|3,0,0]=4 217 B6R1.2 FC1CCNC1 SC-28940 [0,0,0,1,0,0|3,0,0]=4 218 B6R1.2 F[C@H]1CCNC1 SC-43922 [0,0,0,1,0,0|3,0,0]=4 219 B6R1.2 NC1CCCC1 SC-84758 [0,0,0,1,0,0|3,0,0]=4 220 B6R1.2 NC1CCNC1 SC-18208 [0,0,0,1,0,0|3,0,0]=4 221 B6R1.2 NC1CCNC1 SC-62350 [0,0,0,1,0,0|3,0,0]=4 222 B6R1.2 NC1CCOC1 SC-12746 [0,0,0,1,0,0|2,0,0]=3 223 B6R1.2 NC1CCOC1 SC-35465 [0,0,0,1,0,0|2,0,0]=3 224 B6R1.2 NN1CCCC1 SC-01559 [0,0,0,1,0,0|2,0,0]=3 225 B6R1.2 NN1CCCC1 SC-65336 [0,0,0,1,0,0|2,0,0]=3 226 B6R1.2 N[C@@H]1CCOC1 SC-14942 [0,0,0,1,0,0|2,0,0]=3 227 B6R1.2 N[C@@H]1CCOC1 SC-26567 [0,0,0,1,0,0|2,0,0]=3 228 B6R1.2 N[C@H]1CCOC1 SC-14943 [0,0,0,1,0,0|2,0,0]=3 229 B6R1.2 O=C1CCNC1 SC-24328 [0,0,0,1,0,0|3,0,0]=4 230 B6R1.2 O=C1CCNC1 SC-50749 [0,0,0,1,0,0|3,0,0]=4 231 B6R1.2 O=C1CCOC1 SC-21867 [0,0,0,1,0,0|2,0,0]=3 232 B6R1.2 OC1CCNC1 SC-00623 [0,0,0,1,0,0|3,0,0]=4 233 B6R1.2 OC1CCNC1 SC-19629 [0,0,0,1,0,0|3,0,0]=4 234 B6R1.2 OC1CCNC1 SC-24957 [0,0,0,1,0,0|3,0,0]=4 235 B6R1.2 OC1CCNC1 SC-27708 [0,0,0,1,0,0|3,0,0]=4 236 B6R1.2 OC1CCOC1 SC-17875 [0,0,0,1,0,0|2,0,0]=3 237 B6R1.2 O[C@@H]1CCNC1 SC-00194 [0,0,0,1,0,0|3,0,0]=4 238 B6R1.2 O[C@@H]1CCNC1 SC-13984 [0,0,0,1,0,0|3,0,0]=4 239 B6R1.2 O[C@@H]1CCOC1 SC-07022 [0,0,0,1,0,0|2,0,0]=3 240 B6R1.2 O[C@@H]1CNOC1 SC-83248 [0,0,0,1,0,0|3,0,0]=4 241 B6R1.2 O[C@H]1CCOC1 SC-08982 [0,0,0,1,0,0|2,0,0]=3 242 B6R1.2 O[C@H]1CCOC1 SC-50082 [0,0,0,1,0,0|2,0,0]=3 243 B6R1.2 O[C@H]1CNOC1 SC-83247 [0,0,0,1,0,0|3,0,0]=4 244 B6R1.2 [C@@H]1(C)CCCN1 SC-48604 [0,0,0,1,0,0|3,0,0]=4 245 B6R1.2 [C@H]1(O)CCNC1 SC-24229 [0,0,0,1,0,0|3,0,0]=4 246 B6R1.3 BrCCC1CC1 SC-52079 [0,0,0,1,0,0|2,0,0]=3 247 B6R1.3 BrCCC1CO1 SC-20894 [0,0,0,1,0,0|3,0,0]=4 248 B6R1.3 CNCC1CC1 SC-47993 [0,0,0,1,0,0|3,0,0]=4 249 B6R1.3 ICCC1CC1 SC-B7584 [0,0,0,1,0,0|2,0,0]=3 250 B6R1.3 N#CCC1CC1 SC-25467 [0,0,0,1,0,0|2,0,1]=4 251 B6R1.3 NCCC1CC1 SC-14247 [0,0,0,1,0,0|2,0,0]=3 252 B6R1.3 NCCC1CC1 SC-99606 [0,0,0,1,0,0|2,0,0]=3 253 B6R1.3 NNCC1CC1 SC-67047 [0,0,0,1,0,0|3,0,0]=4 254 B6R1.3 NOCC1CC1 SC-14038 [0,0,0,1,0,0|3,0,0]=4 255 B6R1.3 OCCC1CC1 SC-48582 [0,0,0,1,0,0|1,0,0]=2 256 B6R1.3 OCCC1CC1 SC-48583 [0,0,0,1,0,0|1,0,0]=2 257 B6R1.5 CN1CC(N)C1 SC-48566 [0,0,0,1,0,0|1,0,0]=2 258 B6R1.5 CN1CC(N)C1 SC-96394 [0,0,0,1,0,0|1,0,0]=2 259 B6R1.5 CN1CC(N)C1 SC-98163 [0,0,0,1,0,0|1,0,0]=2 260 B6R1.5 CN1CC(O)C1 SC-92160 [0,0,0,1,0,0|0,0,0]=1 261 B6R1.5 NC1CC(=O)C1 SC-50311 [0,0,0,1,0,0|3,0,0]=4 262 B6R1.5 NC1CC(=O)C1 SC-67476 [0,0,0,1,0,0|3,0,0]=4 263 B6R1.5 NC1CC(F)C1 SC-82347 [0,0,0,1,0,0|3,0,0]=4 264 B6R1.5 NC1CC(O)C1 SC-52840 [0,0,0,1,0,0|2,0,0]=3 265 B6R1.5 N[C@H]1C[C@@H](O)C1 SC-94821 [0,0,0,1,0,0|2,0,0]=3 266 B6R1.5 N[C@H]1C[C@H](O)C1 SC-51722 [0,0,0,1,0,0|2,0,0]=3 267 B6R1.5 N[C@H]1C[C@H](O)C1 SC-94820 [0,0,0,1,0,0|2,0,0]=3 268 B6R1.10 CC1(C)CNC1 SC-05287 [0,0,0,1,0,0|3,0,0]=4 269 B6R1.10 CC1(N)CCC1 SC-38385 [0,0,0,1,0,0|3,0,0]=4 270 B6R1.10 CC1(N)CCC1 SC-82175 [0,0,0,1,0,0|3,0,0]=4 271 B6R1.10 C[Si]1(Cl)CCC1 SC-65745 [0,0,0,1,0,0|3,0,0]=4 272 B6R1.11 CC(=O)C1CC1 SC-17503 [0,0,0,1,0,0|3,0,0]=4 273 B6R1.11 CC(C)C1CO1 SC-72443 [0,0,0,1,0,0|1,0,0]=2 274 B6R1.11 CC(O)C1CC1 SC-19615 [0,0,0,1,0,0|3,0,0]=4 275 B6R1.11 CN(C)C1CC1 SC-00873 [0,0,0,1,0,0|1,0,0]=2 276 B6R1.11 C[C@@H](N)C1CC1 SC-83564 [0,0,0,1,0,0|3,0,0]=4 277 B6R1.11 C[C@H](N)C1CC1 SC-87033 [0,0,0,1,0,0|3,0,0]=4 278 B6R1.11 O=C(O)C1CO1 SC-83949 [0,0,0,1,0,0|3,0,0]=4 279 B3R0.1 C=CCN SC-13610 [2,0,0,0,0,0|1,0,1]=4 280 B3R0.1 CCC[Zn+] SC-92929 [2,0,0,0,0,0|1,0,0]=3 281 B3R0.1 CCNN SC-47438 [2,0,0,0,0,0|1,0,0]=3 282 B3R0.1 CCNN SC-88458 [2,0,0,0,0,0|1,0,0]=3 283 B3R0.1 CCNO SC-82856 [2,0,0,0,0,0|1,0,0]=3 284 B3R0.1 CCO[NH3+] SC-76549 [2,0,0,0,0,0|2,0,0]=4 285 B3R0.1 CNNC SC-92981 [2,0,0,0,0,0|1,0,0]=3 286 B3R0.1 CNOC SC-17494 [2,0,0,0,0,0|1,0,0]=3 287 B3R0.1 CNOC SC-74340 [2,0,0,0,0,0|1,0,0]=3 288 B3R0.1 COCBr SC-13660 [2,0,0,0,0,0|2,0,0]=4 289 B3R0.1 C\C=N\O SC-16388 [2,0,0,0,0,0|1,0,1]=4 290 B3R0.1 ClCCBr SC-16459 [2,0,0,0,0,0|2,0,0]=4 291 B3R0.1 ClCCI SC-93145 [2,0,0,0,0,0|2,0,0]=4 292 B3R0.1 FCCBr SC-16577 [2,0,0,0,0,0|2,0,0]=4 293 B3R0.1 N#CCN SC-16069 [2,0,0,0,0,0|1,0,1]=4 294 B3R0.1 N#CCN SC-46133 [2,0,0,0,0,0|1,0,1]=4 295 B3R0.1 NCCBr SC-11569 [2,0,0,0,0,0|1,0,0]=3 296 B3R0.1 NCCCl SC-15450 [2,0,0,0,0,0|1,0,0]=3 297 B3R0.1 NCCCl SC-40145 [2,0,0,0,0,0|1,0,0]=3 298 B3R0.1 NCCF SC-66629 [2,0,0,0,0,0|1,0,0]=3 299 B3R0.1 NCCF SC-89351 [2,0,0,0,0,0|1,0,0]=3 300 B3R0.1 OCCBr SC-26949 [2,0,0,0,0,0|1,0,0]=3 301 B3R0.1 OCCF SC-22570 [2,0,0,0,0,0|1,0,0]=3 302 B3R0.1 OCCI SC-46883 [2,0,0,0,0,0|1,0,0]=3 303 B3R0.1 OCCO SC-A3578 [2,0,0,0,0,0|1,0,0]=3 304 B3R0.1 SCCS SC-27058 [2,0,0,0,0,0|1,1,0]=4 305 B3R0.2 CB(O)O SC-00749 [2,0,0,0,0,0|2,0,0]=4 306 B3R0.2 CC(=O)O SC-16774 [2,0,0,0,0,0|2,0,0]=4 307 B3R0.2 CC(=O)O SC-27909 [2,0,0,0,0,0|2,0,0]=4 308 B3R0.2 CC(C)[O-] SC-43831 [2,0,0,0,0,0|1,0,1]=4 309 B3R0.2 CC(C)[O-] SC-94197 [2,0,0,0,0,0|1,0,1]=4 310 B3R0.2 CN(C)C SC-46902 [2,0,0,0,0,0|0,0,0]=2 311 B3R0.2 C[PH](C)=O SC-72909 [2,0,0,0,0,0|0,1,1]=4 312 B3R0.2 C[S+](C)C SC-68838 [2,0,0,0,0,0|1,0,0]=3 313 B3R0.2 C[S+](C)C SC-97925 [2,0,0,0,0,0|1,0,0]=3 314 B5R0.3 C=C(CO)CO SC-17984 [1,1,0,0,0,0|1,0,1]=4 315 B5R0.3 CC(CO)CBr SC-35572 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.3 CCC(C)CO SC-08990 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.3 CCC(N)CC SC-81736 [1,1,0,0,0,0|2,0,0]=4 318 B5R0.3 CCC(N)CO SC-21072 [1,1,0,0,0,0|2,0,0]=4 319 B5R0.3 CCC(O)CC SC-62307 [1,1,0,0,0,0|2,0,0]=4 320 B5R0.3 CC[PH](=O)CC SC-96905 [1,1,0,0,0,0|1,1,0]=4 321 B5R0.3 COC(=O)CO SC-28291 [1,1,0,0,0,0|2,0,0]=4 322 B5R0.3 COC(C)CN SC-A4864 [1,1,0,0,0,0|2,0,0]=4 323 B5R0.3 CO[C@H](C)CO SC-71357 [1,1,0,0,0,0|1,0,0]=3 324 B5R0.3 NC(CO)CO SC-16669 [1,1,0,0,0,0|2,0,0]=4 325 B5R0.3 NCC(O)CO SC-15511 [1,1,0,0,0,0|2,0,0]=4 326 B5R0.3 NC[C@@H](O)CO SC-06146 [1,1,0,0,0,0|2,0,0]=4 327 B5R0.3 O=C(CO)CO SC-07450 [1,1,0,0,0,0|2,0,0]=4 328 B5R0.3 OCC(Br)CBr SC-75335 [1,1,0,0,0,0|2,0,0]=4 329 B5R0.3 OCC(O)CO SC-13789 [1,1,0,0,0,0|2,0,0]=4 330 B5R0.3 OC[C@@H](O)CCl SC-05423 [1,1,0,0,0,0|2,0,0]=4 331 B5R0.3 [C@H](N)(CC)CO SC-08958 [1,1,0,0,0,0|2,0,0]=4 332 B5R0.3 [C@H](O)(CN)CO SC-05739 [1,1,0,0,0,0|2,0,0]=4 333 B5R0.4 CC(C)(Br)CBr SC-97871 [1,1,0,0,0,0|2,0,0]=4 334 B5R0.4 CC(C)(C)CBr SC-24158 [1,1,0,0,0,0|2,0,0]=4 335 B5R0.4 CC(C)(C)CCl SC-48963 [1,1,0,0,0,0|2,0,0]=4 336 B5R0.4 CC(C)(C)CN SC-97733 [1,1,0,0,0,0|2,0,0]=4 337 B5R0.4 CC(C)(C)CO SC-27689 [1,1,0,0,0,0|1,0,0]=3 338 B5R0.4 CC(C)(C)NO SC-44932 [1,1,0,0,0,0|2,0,0]=4 339 B5R0.4 CC(C)(F)CBr SC-84038 [1,1,0,0,0,0|2,0,0]=4 340 B5R0.4 CC(C)(F)CO SC-14344 [1,1,0,0,0,0|1,0,0]=3 341 B5R0.4 CC(C)(N)CF SC-90380 [1,1,0,0,0,0|2,0,0]=4 342 B5R0.4 CC(C)(N)CN SC-47310 [1,1,0,0,0,0|2,0,0]=4 343 B5R0.4 CC(C)(N)CO SC-00654 [1,1,0,0,0,0|1,0,0]=3 344 B5R0.4 CC(C)(O)CBr SC-69889 [1,1,0,0,0,0|2,0,0]=4 345 B5R0.4 CC(C)(O)CCl SC-05342 [1,1,0,0,0,0|2,0,0]=4 346 B5R0.4 CC(C)(O)CN SC-14245 [1,1,0,0,0,0|2,0,0]=4 347 B5R0.4 CC(C)(O)CO SC-93601 [1,1,0,0,0,0|1,0,0]=3 348 B5R0.4 CC(F)(F)CO SC-21322 [1,1,0,0,0,0|2,0,0]=4 349 B5R0.4 CCC(C)(C)[O-] SC-25920 [1,1,0,0,0,0|1,0,0]=3 350 B5R0.4 CO[Si](C)(C)C SC-36829 [1,1,0,0,0,0|2,0,0]=4 351 B5R0.4 CO[Si](C)(C)Cl SC-67305 [1,1,0,0,0,0|2,0,0]=4 352 B5R0.4 C[Si](C)(C)CBr SC-83590 [1,1,0,0,0,0|2,0,0]=4 353 B5R0.4 C[Si](C)(C)CCl SC-17498 [1,1,0,0,0,0|2,0,0]=4 354 B5R0.4 [Li]C[Si](C)(C)C SC-69211 [1,1,0,0,0,0|2,0,0]=4 355 B5R0.5 CC(=O)C(C)C SC-18478 [1,1,0,0,0,0|1,0,1]=4 356 B5R0.5 CC(=O)C(C)Cl SC-46981 [1,1,0,0,0,0|2,0,0]=4 357 B5R0.5 CC(=O)C(C)S SC-17208 [1,1,0,0,0,0|2,0,0]=4 358 B5R0.5 CC(=O)N(C)C SC-54108 [1,1,0,0,0,0|0,0,1]=3 359 B5R0.5 CC(C)B(O)O SC-66620 [1,1,0,0,0,0|2,0,0]=4 360 B5R0.5 CC(C)N(C)C SC-90248 [1,1,0,0,0,0|0,0,0]=2 361 B5R0.5 CC(O)C(C)O SC-08971 [1,1,0,0,0,0|2,0,0]=4 362 B5R0.5 CC(O)C(C)O SC-08972 [1,1,0,0,0,0|2,0,0]=4 363 B5R0.5 CC(O)C(C)O SC-81338 [1,1,0,0,0,0|2,0,0]=4 364 B5R0.5 CN(C)C(=O)Cl SC-15201 [1,1,0,0,0,0|0,0,2]=4 365 B5R0.5 CN(C)C(=S)Cl SC-15756 [1,1,0,0,0,0|0,1,1]=4 366 B5R0.5 CN(C)C(N)=S SC-A2077 [1,1,0,0,0,0|0,1,1]=4 367 B5R0.5 [2H]C(=O)N(C)C SC-97589 [1,1,0,0,0,0|0,0,2]=4 368 B5R0.2 C=CCCCO SC-78424 [1,1,0,0,0,0|1,0,1]=4 369 B5R0.2 C=COCCO SC-22660 [1,1,0,0,0,0|1,0,1]=4 370 B5R0.2 CCCCNN SC-68008 [1,1,0,0,0,0|2,0,0]=4 371 B5R0.2 CCSCCCl SC-43710 [1,1,0,0,0,0|2,0,0]=4 372 B5R0.2 CNCCC#N SC-15494 [1,1,0,0,0,0|1,0,0]=3 373 B5R0.2 CNCCCO SC-94106 [1,1,0,0,0,0|0,0,0]=2 374 B5R0.2 CNCCNC SC-19090 [1,1,0,0,0,0|1,0,0]=3 375 B5R0.2 CNCCOC SC-15056 [1,1,0,0,0,0|0,0,0]=2 376 B5R0.2 CNCCSC SC-74374 [1,1,0,0,0,0|0,1,0]=3 377 B5R0.2 CNCCSC SC-83575 [1,1,0,0,0,0|0,1,0]=3 378 B5R0.2 COCCC=O SC-85357 [1,1,0,0,0,0|1,0,1]=4 379 B5R0.2 COCCCBr SC-20920 [1,1,0,0,0,0|2,0,0]=4 380 B5R0.2 COCCNN SC-53129 [1,1,0,0,0,0|1,0,0]=3 381 B5R0.2 COCCNN SC-70814 [1,1,0,0,0,0|1,0,0]=3 382 B5R0.2 ClCCCCBr SC-17538 [1,1,0,0,0,0|2,0,0]=4 383 B5R0.2 FCCCCBr SC-43880 [1,1,0,0,0,0|2,0,0]=4 384 B5R0.2 ICCCCI SC-69402 [1,1,0,0,0,0|2,0,0]=4 385 B5R0.2 N#CCCNN SC-52269 [1,1,0,0,0,0|2,0,0]=4 386 B5R0.2 NCCCCCl SC-14246 [1,1,0,0,0,0|2,0,0]=4 387 B5R0.2 NCCCCN SC-20919 [1,1,0,0,0,0|2,0,0]=4 388 B5R0.2 NCCCCO SC-48186 [1,1,0,0,0,0|1,0,0]=3 389 B5R0.2 OCCCCBr SC-12645 [1,1,0,0,0,0|1,0,0]=3 390 B5R0.2 OCCCCCl SC-23109 [1,1,0,0,0,0|1,0,0]=3 391 B5R0.2 OC\C=C/CO SC-27134 [1,1,0,0,0,0|1,0,1]=4 392 B5R0.2 OC\C=C\CBr SC-36162 [1,1,0,0,0,0|1,0,1]=4 393 B5R0.2 OC\C=C\CO SC-82263 [1,1,0,0,0,0|1,0,1]=4 394 B5R0.2 [N-]=[N+]=NCCO SC-88730 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.2 CC(C)C[C@@H](N)CO SC-15764 [0,2,0,0,0,0|1,0,0]=3 396 B7R0.2 CC(C)C[C@H](N)CO SC-08985 [0,2,0,0,0,0|1,0,0]=3 397 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,2,0,0,0,0|1,0,1]=4 398 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.3 CC(CCCO)NN SC-14213 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.3 COCCC(=O)OC SC-46379 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.5 CCOC(=O)N(C)C SC-88157 [0,2,0,0,0,0|1,0,1]=4 402 B7R0.5 CN(C)C(=O)CC#N SC-46380 [0,2,0,0,0,0|1,0,1]=4 403 B7R0.5 CNCC(=O)N(C)C SC-A2871 [0,2,0,0,0,0|1,0,1]=4 404 B7R0.7 C=CCN(C)CC=C SC-17613 [0,2,0,0,0,0|1,0,1]=4 405 B7R0.7 CC(CCO)CCO SC-15062 [0,2,0,0,0,0|1,0,0]=3 406 B7R0.7 CCC[C@H](N)CCO SC-A3499 [0,2,0,0,0,0|2,0,0]=4 407 B7R0.7 CCOC(=O)CCO SC-43709 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.7 CN(CCCl)CCCl SC-18481 [0,2,0,0,0,0|1,0,0]=3 409 B7R0.7 CN(CCO)CCO SC-56199 [0,2,0,0,0,0|0,0,0]=2 410 B7R0.10 CC(CCl)C(C)CCl SC-98133 [0,2,0,0,0,0|2,0,0]=4 411 B7R0.10 CC(CN)[C@H](N)CO SC-54106 [0,2,0,0,0,0|1,0,0]=3 412 B7R0.10 CC[C@H](C)[C@H](N)CO SC-08984 [0,2,0,0,0,0|1,0,0]=3 413 B7R0.10 COC(=O)C(Br)CO SC-87315 [0,2,0,0,0,0|2,0,0]=4 414 B7R0.10 COC(=O)C(C)CO SC-08906 [0,2,0,0,0,0|2,0,0]=4 415 B7R0.10 COC(=O)C(C)CO SC-08907 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.10 COC(=O)C(N)CO SC-09862 [0,2,0,0,0,0|2,0,0]=4 417 B7R0.10 COC(=O)C(N)CO SC-51728 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.10 COC(=O)[C@@H](O)CO SC-44674 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.10 COC(=O)[C@H](N)CO SC-21448 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.10 CON(C)C(=O)CCl SC-21890 [0,2,0,0,0,0|1,0,1]=4 421 B7R0.10 CON(C)C(=O)CF SC-14324 [0,2,0,0,0,0|1,0,1]=4 422 B7R0.10 [C@H](O)(CO)[C@H](O)CO SC-11315 [0,2,0,0,0,0|2,0,0]=4 423 B7R0.11 CCCC(C)(Br)CBr SC-94098 [0,2,0,0,0,0|2,0,0]=4 424 B7R0.12 COC(CCBr)OC SC-15080 [0,2,0,0,0,0|2,0,0]=4 425 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [0,2,0,0,0,0|1,0,1]=4 426 B7R0.9 CN(C)CC(C)(C)O SC-48956 [0,2,0,0,0,0|0,0,0]=2 427 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,2,0,0,0,0|1,0,1]=4 428 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,2,0,0,0,0|1,0,1]=4 429 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,2,0,0,0,0|1,0,1]=4 430 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,2,0,0,0,0|1,0,1]=4 431 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,2,0,0,0,0|1,0,1]=4 432 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,2,0,0,0,0|1,0,1]=4 433 B7R0.14 CC(C)(C)C(N)CO SC-92545 [0,2,0,0,0,0|1,0,0]=3 434 B7R0.14 CC(C)(C)C(O)CBr SC-90410 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.14 CC(C)(O)[C@H](F)CN SC-91611 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.14 [C@H](N)(CO)C(C)(C)C SC-26207 [0,2,0,0,0,0|1,0,0]=3 437 B7R0.15 COC(OC)N(C)C SC-16295 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.4 CC(C)CCON=O SC-22768 [0,2,0,0,0,0|1,0,0]=3 439 B7R0.4 CNCCCN(C)C SC-95620 [0,2,0,0,0,0|1,0,0]=3 440 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,2,0,0,0,0|1,0,0]=3 441 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [0,2,0,0,0,0|1,0,1]=4 442 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,2,0,0,0,0|1,0,1]=4 443 B7R0.6 CC(O)CCC(C)O SC-92842 [0,2,0,0,0,0|2,0,0]=4 444 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,2,0,0,0,0|0,0,0]=2 445 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,2,0,0,0,0|0,0,0]=2 446 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,2,0,0,0,0|0,0,1]=3 447 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [0,2,0,0,0,0|2,0,0]=4 448 B7R0.8 CCNCC(C)(C)O SC-97759 [0,2,0,0,0,0|2,0,0]=4 449 B7R0.8 CS(=O)(=O)CCCO SC-A4044 [0,2,0,0,0,0|2,0,0]=4 450 B7R0.8 C[Si](C)(C)C#CCO SC-71679 [0,2,0,0,0,0|1,0,1]=4 451 B7R0.8 C[Si](C)(C)\C=C\CO SC-86258 [0,2,0,0,0,0|1,0,1]=4 452 B5R1.2 BrC1CCC1 SC-50402 [1,0,0,1,0,0|2,0,0]=4 453 B5R1.2 CC1CCN1 SC-70091 [1,0,0,1,0,0|2,0,0]=4 454 B5R1.2 CC1CCN1 SC-A3607 [1,0,0,1,0,0|2,0,0]=4 455 B5R1.2 CC1CCN1 SC-A3960 [1,0,0,1,0,0|2,0,0]=4 456 B5R1.2 CC1CNC1 SC-50429 [1,0,0,1,0,0|2,0,0]=4 457 B5R1.2 IC1CCC1 SC-92367 [1,0,0,1,0,0|2,0,0]=4 458 B5R1.2 IC1COC1 SC-43780 [1,0,0,1,0,0|2,0,0]=4 459 B5R1.2 NC1CCC1 SC-20422 [1,0,0,1,0,0|2,0,0]=4 460 B5R1.2 NC1COC1 SC-20809 [1,0,0,1,0,0|2,0,0]=4 461 B5R1.2 O=C1CCC1 SC-00523 [1,0,0,1,0,0|2,0,0]=4 462 B5R1.2 O=C1COC1 SC-21889 [1,0,0,1,0,0|2,0,0]=4 463 B5R1.2 OC1COC1 SC-25466 [1,0,0,1,0,0|2,0,0]=4 464 B5R1.2 SC1COC1 SC-B7217 [1,0,0,1,0,0|2,0,0]=4 465 B5R1.3 BrCC1CC1 SC-16841 [1,0,0,1,0,0|2,0,0]=4 466 B5R1.3 CC[C@@H]1CO1 SC-52802 [1,0,0,1,0,0|2,0,0]=4 467 B5R1.3 ClCC1CC1 SC-27742 [1,0,0,1,0,0|2,0,0]=4 468 B5R1.3 NCC1CC1 SC-16854 [1,0,0,1,0,0|2,0,0]=4 469 B5R1.3 NCC1CC1 SC-95616 [1,0,0,1,0,0|2,0,0]=4 470 B5R1.3 OCC1CC1 SC-02886 [1,0,0,1,0,0|1,0,0]=3 471 B5R1.3 OCC1CO1 SC-18485 [1,0,0,1,0,0|2,0,0]=4 472 B5R1.3 OC[C@@H]1CO1 SC-05422 [1,0,0,1,0,0|2,0,0]=4 473 B5R1.3 OC[C@H]1CO1 SC-05653 [1,0,0,1,0,0|2,0,0]=4 474 B5R1.5 CC1(C)CO1 SC-77899 [1,0,0,1,0,0|1,0,0]=3 475 B5R1.5 CC1(N)CC1 SC-43846 [1,0,0,1,0,0|2,0,0]=4 476 B5R1.5 CC1(N)CC1 SC-69791 [1,0,0,1,0,0|2,0,0]=4 477 B5R1.1 C1=CCOC1 SC-47076 [1,0,0,1,0,0|1,0,1]=4 478 B5R1.1 C1=CNCC1 SC-88946 [1,0,0,1,0,0|1,0,1]=4 479 B5R1.1 C1CSCN1 SC-91699 [1,0,0,1,0,0|0,1,0]=3 480 B7R1.1 BrCC1CCCC1 SC-04017 [0,1,0,1,0,0|2,0,0]=4 481 B7R1.1 CNC1CCCC1 SC-52894 [0,1,0,1,0,0|2,0,0]=4 482 B7R1.1 CNC1CCCC1 SC-A3381 [0,1,0,1,0,0|2,0,0]=4 483 B7R1.1 CNC1CCOC1 SC-81912 [0,1,0,1,0,0|1,0,0]=3 484 B7R1.1 CN[C@@H]1CCOC1 SC-A2281 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.1 COC1CCNC1 SC-12454 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.1 COC1CCNC1 SC-24177 [0,1,0,1,0,0|2,0,0]=4 487 B7R1.1 CO[C@@H]1CCNC1 SC-25526 [0,1,0,1,0,0|2,0,0]=4 488 B7R1.1 CO[C@@H]1CCNC1 SC-51990 [0,1,0,1,0,0|2,0,0]=4 489 B7R1.1 CO[C@H]1CCNC1 SC-25506 [0,1,0,1,0,0|2,0,0]=4 490 B7R1.1 ICC1CCOC1 SC-26534 [0,1,0,1,0,0|1,0,0]=3 491 B7R1.1 N#CC1CCOC1 SC-28637 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.1 NCC1CCCC1 SC-22285 [0,1,0,1,0,0|2,0,0]=4 493 B7R1.1 NCC1CCCC1 SC-25234 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.1 NCC1CCOC1 SC-12415 [0,1,0,1,0,0|1,0,0]=3 495 B7R1.1 OCC1CCCC1 SC-03842 [0,1,0,1,0,0|2,0,0]=4 496 B7R1.1 OCC1CCOC1 SC-21250 [0,1,0,1,0,0|1,0,0]=3 497 B7R1.1 OC[C@@H]1CCNC1 SC-48002 [0,1,0,1,0,0|2,0,0]=4 498 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,1,0,1,0,0|1,0,1]=4 499 B7R1.2 CC1COC(=O)C1 SC-60836 [0,1,0,1,0,0|1,0,1]=4 500 B7R1.2 CN1CCC(N)C1 SC-48840 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.2 CN1CC[C@@H](O)C1 SC-49684 [0,1,0,1,0,0|0,0,0]=2 502 B7R1.2 CN1CC[C@H](O)C1 SC-23905 [0,1,0,1,0,0|0,0,0]=2 503 B7R1.2 NC1CCC(O)C1 SC-47773 [0,1,0,1,0,0|2,0,0]=4 504 B7R1.2 NC1CCC(O)C1 SC-47979 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.2 NC1CCC(O)C1 SC-49660 [0,1,0,1,0,0|2,0,0]=4 506 B7R1.2 NC1CCC(O)C1 SC-51126 [0,1,0,1,0,0|2,0,0]=4 507 B7R1.2 NC1CCC(O)C1 SC-92977 [0,1,0,1,0,0|2,0,0]=4 508 B7R1.2 N[C@@H]1CC[C@H](O)C1 SC-83316 [0,1,0,1,0,0|2,0,0]=4 509 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-42369 [0,1,0,1,0,0|2,0,0]=4 510 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-47775 [0,1,0,1,0,0|2,0,0]=4 511 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-47774 [0,1,0,1,0,0|2,0,0]=4 512 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-93243 [0,1,0,1,0,0|2,0,0]=4 513 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,1,0,1,0,0|2,0,0]=4 515 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.3 BrC1CCCOC1 SC-43426 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.3 BrC1CCOCC1 SC-27394 [0,1,0,1,0,0|2,0,0]=4 519 B7R1.3 CC1=CCCCC1 SC-99243 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.3 CC1=CCCNC1 SC-82898 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.3 CC1=CCNCC1 SC-B8899 [0,1,0,1,0,0|2,0,0]=4 522 B7R1.3 CC1CCCCC1 SC-79075 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.3 CC1CCCNC1 SC-46299 [0,1,0,1,0,0|2,0,0]=4 524 B7R1.3 CC1CCNCC1 SC-05890 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.3 CC1CNCCO1 SC-49158 [0,1,0,1,0,0|2,0,0]=4 526 B7R1.3 CC1CNCCO1 SC-82780 [0,1,0,1,0,0|2,0,0]=4 527 B7R1.3 CC1CNCCO1 SC-A3535 [0,1,0,1,0,0|2,0,0]=4 528 B7R1.3 CC1COCCN1 SC-49161 [0,1,0,1,0,0|1,0,0]=3 529 B7R1.3 CN1CCNCC1 SC-00315 [0,1,0,1,0,0|1,0,0]=3 530 B7R1.3 CN1CCNCC1 SC-66326 [0,1,0,1,0,0|1,0,0]=3 531 B7R1.3 C[C@@H]1CNCCO1 SC-43965 [0,1,0,1,0,0|2,0,0]=4 532 B7R1.3 C[C@@H]1CNCCO1 SC-88816 [0,1,0,1,0,0|2,0,0]=4 533 B7R1.3 C[C@@H]1COCCN1 SC-53994 [0,1,0,1,0,0|1,0,0]=3 534 B7R1.3 C[C@H]1CCCNC1 SC-99949 [0,1,0,1,0,0|2,0,0]=4 535 B7R1.3 C[C@H]1CNCCO1 SC-44479 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.3 C[C@H]1COCCN1 SC-21564 [0,1,0,1,0,0|1,0,0]=3 537 B7R1.3 C[C@H]1COCCN1 SC-69967 [0,1,0,1,0,0|1,0,0]=3 538 B7R1.3 C[SiH]1CCCCO1 SC-91060 [0,1,0,1,0,0|2,0,0]=4 539 B7R1.3 IC1CCOCC1 SC-98886 [0,1,0,1,0,0|2,0,0]=4 540 B7R1.3 NC1CCCOC1 SC-35742 [0,1,0,1,0,0|2,0,0]=4 541 B7R1.3 NC1CCCOC1 SC-49332 [0,1,0,1,0,0|2,0,0]=4 542 B7R1.3 NC1CCOCC1 SC-03529 [0,1,0,1,0,0|2,0,0]=4 543 B7R1.3 NC1CCOCC1 SC-04006 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.3 NN1CCCCC1 SC-18780 [0,1,0,1,0,0|2,0,0]=4 545 B7R1.3 NN1CCOCC1 SC-27139 [0,1,0,1,0,0|1,0,0]=3 546 B7R1.3 N[C@@H]1CCCOC1 SC-71639 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.3 N[C@@H]1CCCOC1 SC-96408 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.3 N[C@H]1CCCOC1 SC-94110 [0,1,0,1,0,0|2,0,0]=4 549 B7R1.3 O=C1CCCOC1 SC-14944 [0,1,0,1,0,0|2,0,0]=4 550 B7R1.3 O=C1CCOCC1 SC-03251 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.3 O=C1COCCN1 SC-24222 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.3 OC1CCCOC1 SC-19794 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.3 OC1CCCOC1 SC-35801 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.3 OC1CCOCC1 SC-02372 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.3 ON1CCCCC1 SC-13334 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.3 SC1CCOCC1 SC-47759 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.3 [C@H]1(C)CNCCN1 SC-16783 [0,1,0,1,0,0|2,0,0]=4 558 B7R1.4 CC1CCOC1=O SC-20996 [0,1,0,1,0,0|1,0,1]=4 559 B7R1.4 CN1CCNC1=O SC-89793 [0,1,0,1,0,0|1,0,1]=4 560 B7R1.4 N[C@@H]1COC[C@@H]1N SC-33569 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.4 N[C@H]1COC[C@@H]1O SC-44041 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.6 NCCC1CCC1 SC-B8576 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.6 NCCC1COC1 SC-49992 [0,1,0,1,0,0|2,0,0]=4 564 B7R1.6 OCCC1COC1 SC-53429 [0,1,0,1,0,0|1,0,0]=3 565 B7R1.10 CN1CC(CN)C1 SC-21131 [0,1,0,1,0,0|1,0,0]=3 566 B7R1.10 COC1CC(O)C1 SC-A4338 [0,1,0,1,0,0|1,0,0]=3 567 B7R1.10 O=C1CC(CO)C1 SC-86648 [0,1,0,1,0,0|2,0,0]=4 568 B7R1.22 NCC(O)C1CC1 SC-21038 [0,1,0,1,0,0|2,0,0]=4 569 B7R1.16 C[C@]1(O)C[C@@H](N)C1 SC-B8262 [0,1,0,1,0,0|2,0,0]=4 570 B7R1.16 C[C@]1(O)C[C@H](N)C1 SC-52968 [0,1,0,1,0,0|2,0,0]=4 571 B7R1.20 O=C(O)CC1CC1 SC-13938 [0,1,0,1,0,0|1,0,1]=4 572 B7R1.18 CN(C)C1CNC1 SC-51315 [0,1,0,1,0,0|1,0,0]=3 573 B7R1.18 CN(C)C1CNC1 SC-94793 [0,1,0,1,0,0|1,0,0]=3 574 B7R1.14 CC1(C)CCCN1 SC-89406 [0,1,0,1,0,0|2,0,0]=4 575 B7R1.14 CC1(C)CCNC1 SC-B8345 [0,1,0,1,0,0|2,0,0]=4 576 B7R1.14 CC1(C)COCN1 SC-A4039 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.14 CC1(C)NCCS1 SC-13595 [0,1,0,1,0,0|1,1,0]=4 578 B7R1.14 CC1(O)CCNC1 SC-65706 [0,1,0,1,0,0|2,0,0]=4 579 B7R1.14 C[C@]1(O)CCNC1 SC-91785 [0,1,0,1,0,0|2,0,0]=4 580 B7R1.26 CC(C)(N)C1CC1 SC-A2814 [0,1,0,1,0,0|2,0,0]=4 581 B7R2.13 C1CC2CC2N1 SC-A3242 [0,0,0,2,0,0|2,0,0]=4 582 B7R2.13 C1NCC2CC12 SC-88257 [0,0,0,2,0,0|2,0,0]=4 583 B7R2.5 NC12CC(C1)C2 SC-15001 [0,0,0,2,0,0|2,0,0]=4 584 B7R2.5 NC12CC(C1)C2 SC-86197 [0,0,0,2,0,0|2,0,0]=4