0 B5R0.1 C#CCC(=O)O SC-40344 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 C=C(C)CCBr SC-26305 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 C=C(C)OCC SC-18086 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 C=CCC(=O)O SC-49093 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 C=COC(C)=O SC-79059 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CC#CC(=O)O SC-76460 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(=O)CC#N SC-26510 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.1 CC(=O)CCCl SC-21586 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.1 CC(=O)CCO SC-65678 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.1 CC(=O)OCBr SC-44237 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 CC(=O)\C=N/O SC-89466 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CC(=O)\C=N\O SC-68143 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CC(C)=CC#N SC-47932 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CC(C)=CC=O SC-00290 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 CC(C)=CCBr SC-13678 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CC(C)=CCN SC-51952 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 CC(C)=CCO SC-77150 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 CC(N)CCO SC-82589 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 CCCB(O)O SC-47544 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 CCCC(=N)N SC-19347 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.1 CCCC(=O)Cl SC-18924 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.1 CCCC(=O)[O-] SC-15718 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.1 CCCC(C)N SC-53929 [0,0,0,0,0,0|1,0,1]=2 23 B5R0.1 CCCC(C)O SC-03320 [0,0,0,0,0,0|0,0,2]=2 24 B5R0.1 CCCC(N)=O SC-46377 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.1 CCN=C(N)N SC-15057 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.1 CCNC(C)C SC-84122 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.1 CCOC(=S)[S-] SC-62877 [0,0,0,0,0,0|2,1,0]=3 28 B5R0.1 CCOC(C)=N SC-02547 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.1 CCOC(C)=N SC-A3540 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.1 CCOC(N)=O SC-16133 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.1 CCSC(=N)N SC-20585 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.1 CCSC(=N)N SC-53442 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.1 CN(C)CC=O SC-51643 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.1 CN(C)CCBr SC-21756 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.1 CN(C)CCBr SC-27529 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.1 CN(C)CCCl SC-18600 [0,0,0,0,0,0|3,0,0]=3 37 B5R0.1 CN(C)CCCl SC-47184 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.1 CN(C)CCO SC-87330 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.1 CNCC(=O)O SC-10425 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.1 CNCC(F)F SC-34374 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.1 CNCC(N)=O SC-10429 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.1 CNNC(N)=S SC-74513 [0,0,0,0,0,0|3,1,0]=4 43 B5R0.1 COCC(=N)N SC-41213 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.1 COCC(=N)N SC-73218 [0,0,0,0,0,0|3,0,0]=3 45 B5R0.1 COCC(=O)Cl SC-27381 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.1 COCC(C)N SC-48787 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.1 COCC(C)O SC-00293 [0,0,0,0,0,0|1,0,2]=3 48 B5R0.1 COC[C@@H](C)N SC-47724 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.1 COC[C@@H](C)O SC-04836 [0,0,0,0,0,0|1,0,2]=3 50 B5R0.1 CS(=O)CCN SC-89327 [0,0,0,0,0,0|2,0,0]=2 51 B5R0.1 CSCS(C)=O SC-87090 [0,0,0,0,0,0|2,0,0]=2 52 B5R0.1 CSNC(C)=O SC-28667 [0,0,0,0,0,0|2,0,0]=2 53 B5R0.1 C[C@@H](N)CCO SC-48293 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.1 C[C@@H](O)CCO SC-05919 [0,0,0,0,0,0|1,0,2]=3 55 B5R0.1 C[C@H](O)CCO SC-02840 [0,0,0,0,0,0|1,0,2]=3 56 B5R0.1 C\C=C/C(=O)O SC-25924 [0,0,0,0,0,0|1,0,2]=3 57 B5R0.1 C\C=C/C(C)=O SC-48085 [0,0,0,0,0,0|0,0,2]=2 58 B5R0.1 C\C=C\C(=O)Cl SC-16256 [0,0,0,0,0,0|1,0,2]=3 59 B5R0.1 N#CCC(=O)O SC-18648 [0,0,0,0,0,0|2,0,1]=3 60 B5R0.1 N#CCC(N)=O SC-26759 [0,0,0,0,0,0|2,0,1]=3 61 B5R0.1 NCCC(=O)O SC-10014 [0,0,0,0,0,0|2,0,0]=2 62 B5R0.1 NCCC(F)F SC-89198 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.1 NCCC(N)=O SC-48688 [0,0,0,0,0,0|2,0,0]=2 64 B5R0.1 NCCC(N)=O SC-84499 [0,0,0,0,0,0|2,0,0]=2 65 B5R0.1 O=C(Cl)CCCl SC-16310 [0,0,0,0,0,0|2,0,0]=2 66 B5R0.1 O=C(O)CCBr SC-18441 [0,0,0,0,0,0|2,0,0]=2 67 B5R0.1 O=C(O)CCS SC-22642 [0,0,0,0,0,0|2,0,0]=2 68 B4R0.1 C#CC(=O)O SC-46968 [1,0,0,0,0,0|1,0,2]=4 69 B4R0.1 C=C(Br)CBr SC-46621 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 C=C(C)C=O SC-83411 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 C=C(C)CBr SC-50158 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 C=C(C)CF SC-89300 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 C=C(C)CN SC-43404 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 C=C(C)CN SC-84159 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.1 C=CC(=O)[O-] SC-19971 [1,0,0,0,0,0|1,0,2]=4 76 B4R0.1 CC(=O)C#N SC-51001 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.1 CC(=O)C=O SC-74380 [1,0,0,0,0,0|1,0,1]=3 78 B4R0.1 CC(=O)CBr SC-20936 [1,0,0,0,0,0|1,0,0]=2 79 B4R0.1 CC(=O)CN SC-28532 [1,0,0,0,0,0|1,0,0]=2 80 B4R0.1 CC(=O)CN SC-89750 [1,0,0,0,0,0|1,0,0]=2 81 B4R0.1 CC(=O)NO SC-18498 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.1 CC(Br)CO SC-A3571 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 CC(C)=CBr SC-52196 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 CC(C)=NN SC-92874 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.1 CC(C)=NO SC-25907 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.1 CC(N)CO SC-18397 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 CC(S)CS SC-A2768 [1,0,0,0,0,0|1,1,1]=4 88 B4R0.1 CCB(O)O SC-04516 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 CCC(=N)N SC-53846 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 CCC(=O)O SC-22887 [1,0,0,0,0,0|1,0,0]=2 91 B4R0.1 CCC(=O)[O-] SC-47286 [1,0,0,0,0,0|1,0,0]=2 92 B4R0.1 CCC(C)O SC-01234 [1,0,0,0,0,0|0,0,2]=3 93 B4R0.1 CCC(N)=O SC-18213 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.1 CCS(=O)[O-] SC-20356 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.1 CC[C@H](C)N SC-81828 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.1 CC[C@H](C)O SC-04418 [1,0,0,0,0,0|0,0,2]=3 97 B4R0.1 CNC(=N)N SC-18775 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.1 CNC(=N)N SC-78334 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.1 CNC(C)C SC-04732 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.1 CNC(N)=O SC-15862 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.1 CNN(C)C SC-41461 [1,0,0,0,0,0|3,0,0]=4 102 B4R0.1 CSC(=N)N SC-97881 [1,0,0,0,0,0|3,0,0]=4 103 B4R0.1 C[C@@H](N)CN SC-08946 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.1 C[C@@H](N)CO SC-03772 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 C[C@@H](O)CN SC-03087 [1,0,0,0,0,0|1,0,2]=4 106 B4R0.1 C[C@@H](O)CO SC-04433 [1,0,0,0,0,0|1,0,2]=4 107 B4R0.1 C[C@H](Cl)CO SC-98590 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 C[C@H](N)CN SC-08947 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.1 C[C@H](N)CO SC-03066 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.1 C[C@H](O)CCl SC-99597 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.1 C[C@H](O)CN SC-03088 [1,0,0,0,0,0|1,0,2]=4 112 B4R0.1 C[C@H](O)CO SC-04434 [1,0,0,0,0,0|1,0,2]=4 113 B4R0.1 C\C(N)=N\O SC-29589 [1,0,0,0,0,0|3,0,0]=4 114 B4R0.1 C\C=C(\C)Br SC-91379 [1,0,0,0,0,0|1,0,1]=3 115 B4R0.1 N=C(N)CCl SC-69732 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.1 N=C(N)CO SC-41719 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.1 N=C(N)CO SC-50460 [1,0,0,0,0,0|3,0,0]=4 118 B4R0.1 NC(=O)CBr SC-17752 [1,0,0,0,0,0|2,0,0]=3 119 B4R0.1 NC(=O)CI SC-18913 [1,0,0,0,0,0|2,0,0]=3 120 B4R0.1 NC(=O)NO SC-17803 [1,0,0,0,0,0|3,0,0]=4 121 B4R0.1 NCC(=O)O SC-26884 [1,0,0,0,0,0|2,0,0]=3 122 B4R0.1 NCC(N)=O SC-09567 [1,0,0,0,0,0|2,0,0]=3 123 B4R0.1 NCC(N)=O SC-18427 [1,0,0,0,0,0|2,0,0]=3 124 B4R0.1 NNC(N)=O SC-18463 [1,0,0,0,0,0|3,0,0]=4 125 B4R0.1 NNC(N)=O SC-47308 [1,0,0,0,0,0|3,0,0]=4 126 B4R0.1 O=C(Br)CBr SC-18428 [1,0,0,0,0,0|2,0,0]=3 127 B4R0.1 O=C(Cl)CBr SC-49267 [1,0,0,0,0,0|2,0,0]=3 128 B4R0.1 O=C(O)CBr SC-18211 [1,0,0,0,0,0|2,0,0]=3 129 B4R0.1 O=C(O)CO SC-23119 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.1 O=C(O)CO SC-26092 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.1 O=C([O-])CI SC-80290 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.1 O=CC(=O)O SC-25819 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.2 BrCCCBr SC-79111 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.2 C#CCCBr SC-52138 [1,0,0,0,0,0|1,0,2]=4 135 B4R0.2 C#CCCN SC-49547 [1,0,0,0,0,0|1,0,2]=4 136 B4R0.2 C#CCCO SC-17773 [1,0,0,0,0,0|1,0,2]=4 137 B4R0.2 C#CCNC SC-87202 [1,0,0,0,0,0|1,0,2]=4 138 B4R0.2 C=CCCCl SC-90795 [1,0,0,0,0,0|1,0,1]=3 139 B4R0.2 C=CCCN SC-48242 [1,0,0,0,0,0|1,0,1]=3 140 B4R0.2 C=CCCN SC-52106 [1,0,0,0,0,0|1,0,1]=3 141 B4R0.2 C=CCCO SC-45284 [1,0,0,0,0,0|1,0,1]=3 142 B4R0.2 C=CCNC SC-05902 [1,0,0,0,0,0|1,0,1]=3 143 B4R0.2 C=CCON SC-96333 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.2 C=CCSC SC-47211 [1,0,0,0,0,0|1,0,1]=3 145 B4R0.2 CC#CCBr SC-13862 [1,0,0,0,0,0|1,0,2]=4 146 B4R0.2 CC#CCO SC-17951 [1,0,0,0,0,0|1,0,2]=4 147 B4R0.2 CCCNC SC-27548 [1,0,0,0,0,0|1,0,0]=2 148 B4R0.2 CCN=C=O SC-11793 [1,0,0,0,0,0|1,0,1]=3 149 B4R0.2 CCN=C=S SC-46927 [1,0,0,0,0,0|1,1,1]=4 150 B4R0.2 CCOCC SC-73354 [1,0,0,0,0,0|1,0,1]=3 151 B4R0.2 CNCC#N SC-13788 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.2 CNCCBr SC-98001 [1,0,0,0,0,0|2,0,0]=3 153 B4R0.2 COCC=O SC-48883 [1,0,0,0,0,0|1,0,0]=2 154 B4R0.2 COCCCl SC-05903 [1,0,0,0,0,0|2,0,0]=3 155 B4R0.2 COCCN SC-22236 [1,0,0,0,0,0|2,0,0]=3 156 B4R0.2 CSCCCl SC-53991 [1,0,0,0,0,0|2,0,0]=3 157 B4R0.2 CSCCN SC-28443 [1,0,0,0,0,0|2,0,0]=3 158 B4R0.2 CSCCN SC-83550 [1,0,0,0,0,0|2,0,0]=3 159 B4R0.2 CSCCO SC-19276 [1,0,0,0,0,0|2,0,0]=3 160 B4R0.2 C\C=C/CO SC-69832 [1,0,0,0,0,0|1,0,1]=3 161 B4R0.2 C\C=C\CCl SC-22573 [1,0,0,0,0,0|1,0,1]=3 162 B4R0.2 C\C=C\CO SC-25521 [1,0,0,0,0,0|1,0,1]=3 163 B4R0.2 C\C=C\CO SC-69597 [1,0,0,0,0,0|1,0,1]=3 164 B4R0.2 C\C=C\OC SC-97407 [1,0,0,0,0,0|1,0,1]=3 165 B4R0.2 ClCCCI SC-73683 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.2 Cl\C=C\CCl SC-17396 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.2 FCCCBr SC-49851 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.2 FCCCI SC-84350 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.2 ICCCI SC-89448 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.2 N#CCCBr SC-46247 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.2 NCCCBr SC-39593 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.2 NCCCBr SC-48386 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.2 NCCCCl SC-15218 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.2 NCCCO SC-16407 [1,0,0,0,0,0|1,0,2]=4 175 B4R0.2 NCCCS SC-52748 [1,0,0,0,0,0|1,1,1]=4 176 B4R0.2 NNCCO SC-15469 [1,0,0,0,0,0|3,0,0]=4 177 B4R0.2 NOCCO SC-41192 [1,0,0,0,0,0|3,0,0]=4 178 B4R0.2 O=CCCCl SC-71322 [1,0,0,0,0,0|1,0,0]=2 179 B4R0.2 O=CCCO SC-52939 [1,0,0,0,0,0|1,0,0]=2 180 B4R0.2 O=C[N-]C=O SC-93635 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.2 OCCCBr SC-13514 [1,0,0,0,0,0|1,0,2]=4 182 B4R0.2 OCCCCl SC-15525 [1,0,0,0,0,0|1,0,2]=4 183 B4R0.2 OCCCF SC-24862 [1,0,0,0,0,0|1,0,2]=4 184 B4R0.2 OCCCI SC-65803 [1,0,0,0,0,0|1,0,2]=4 185 B4R0.2 OCCCO SC-25736 [1,0,0,0,0,0|1,0,2]=4 186 B4R0.2 SCCCS SC-17571 [1,0,0,0,0,0|1,1,1]=4 187 B6R0.1 C#CC(=O)OCC SC-05846 [0,1,0,0,0,0|1,0,1]=3 188 B6R0.1 C#CCC(=O)OC SC-13148 [0,1,0,0,0,0|0,0,2]=3 189 B6R0.1 C=CC(=O)NCO SC-75438 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.1 C=CCC(=O)OC SC-48829 [0,1,0,0,0,0|0,0,2]=3 191 B6R0.1 CC#CC(=O)OC SC-48510 [0,1,0,0,0,0|0,0,2]=3 192 B6R0.1 CCOC(=N)CCl SC-39703 [0,1,0,0,0,0|2,0,0]=3 193 B6R0.1 CCOC(=N)CCl SC-53117 [0,1,0,0,0,0|2,0,0]=3 194 B6R0.1 CCOC(=O)C#N SC-20120 [0,1,0,0,0,0|1,0,1]=3 195 B6R0.1 CCOC(=O)CBr SC-17870 [0,1,0,0,0,0|1,0,0]=2 196 B6R0.1 CCOC(=O)CCl SC-79310 [0,1,0,0,0,0|1,0,0]=2 197 B6R0.1 CCOC(=O)CN SC-09569 [0,1,0,0,0,0|1,0,0]=2 198 B6R0.1 CCOC(=O)CN SC-48652 [0,1,0,0,0,0|1,0,0]=2 199 B6R0.1 CCOC(=O)CO SC-50412 [0,1,0,0,0,0|1,0,0]=2 200 B6R0.1 CCOC(=O)CS SC-18381 [0,1,0,0,0,0|1,0,0]=2 201 B6R0.1 CCOC(=O)NN SC-50147 [0,1,0,0,0,0|2,0,0]=3 202 B6R0.1 CC[C@@H](N)COC SC-65714 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.1 CC[C@H](N)COC SC-89974 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.1 CNC(=O)CC#N SC-97600 [0,1,0,0,0,0|1,0,1]=3 205 B6R0.1 CNCC(=O)OC SC-10432 [0,1,0,0,0,0|1,0,0]=2 206 B6R0.1 COC(=O)C#CBr SC-66291 [0,1,0,0,0,0|1,0,2]=4 207 B6R0.1 COC(=O)CC=O SC-53143 [0,1,0,0,0,0|1,0,1]=3 208 B6R0.1 COC(=O)CCBr SC-18677 [0,1,0,0,0,0|1,0,0]=2 209 B6R0.1 COC(=O)CCN SC-21486 [0,1,0,0,0,0|1,0,0]=2 210 B6R0.1 COC(=O)CCO SC-21690 [0,1,0,0,0,0|1,0,0]=2 211 B6R0.1 COC(=O)CSC SC-20536 [0,1,0,0,0,0|1,0,0]=2 212 B6R0.1 COC(=O)N=C=S SC-A2325 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.1 COC(=O)OCCl SC-53303 [0,1,0,0,0,0|2,0,0]=3 214 B6R0.1 COCC(=O)NN SC-54001 [0,1,0,0,0,0|2,0,0]=3 215 B6R0.1 COCC(=O)OC SC-62202 [0,1,0,0,0,0|1,0,0]=2 216 B6R0.1 C\C=C\C(=O)OC SC-22589 [0,1,0,0,0,0|0,0,2]=3 217 B6R0.1 N#CCC(=O)NN SC-39668 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.1 O=C(CCl)NCO SC-21590 [0,1,0,0,0,0|2,0,0]=3 219 B6R0.1 OCCC(O)CO SC-15322 [0,1,0,0,0,0|1,0,2]=4 220 B6R0.1 OCC[C@H](O)CO SC-08973 [0,1,0,0,0,0|1,0,2]=4 221 B6R0.1 [C-]#[N+]CC(=O)OC SC-19522 [0,1,0,0,0,0|1,0,1]=3 222 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,1,0,0,0,0|0,0,1]=2 223 B6R0.2 CC(=O)NC(=N)N SC-45115 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,1,0,0,0,0|1,0,0]=2 225 B6R0.2 CC(=O)OC(C)C SC-25616 [0,1,0,0,0,0|1,0,0]=2 226 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,1,0,0,0,0|0,0,2]=3 227 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,1,0,0,0,0|0,0,2]=3 228 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,1,0,0,0,0|0,0,2]=3 229 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [0,1,0,0,0,0|0,0,2]=3 230 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,1,0,0,0,0|1,0,2]=4 231 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,1,0,0,0,0|1,0,2]=4 232 B6R0.2 CC(C)CB(O)O SC-06923 [0,1,0,0,0,0|2,0,1]=4 233 B6R0.2 CC(C)NC(C)C SC-18336 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.2 CC(C)OC(C)C SC-65190 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.2 CC(Cl)CN(C)C SC-81232 [0,1,0,0,0,0|2,0,0]=3 236 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [0,1,0,0,0,0|2,0,0]=3 237 B6R0.2 CN(C)CC(N)=O SC-89197 [0,1,0,0,0,0|2,0,0]=3 238 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,1,0,0,0,0|1,0,0]=2 239 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,1,0,0,0,0|1,0,0]=2 240 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,1,0,0,0,0|1,0,0]=2 241 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,1,0,0,0,0|1,0,0]=2 242 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.2 O=C(Cl)CC(=O)Cl SC-98168 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.2 O=C([O-])CC(=O)[O-] SC-94719 [0,1,0,0,0,0|2,0,1]=4 245 B6R0.3 C=CC(C)C(=O)O SC-65769 [0,1,0,0,0,0|1,0,2]=4 246 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [0,1,0,0,0,0|1,0,2]=4 247 B6R0.3 CC(C#N)C(=O)O SC-65741 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.3 CC(C)C(O)CN SC-34918 [0,1,0,0,0,0|2,0,1]=4 249 B6R0.3 CC(C)C(O)CN SC-A3426 [0,1,0,0,0,0|2,0,1]=4 250 B6R0.3 CC(C)[C@@H](N)CO SC-04448 [0,1,0,0,0,0|2,0,1]=4 251 B6R0.3 CC(C)[C@H](N)CO SC-02242 [0,1,0,0,0,0|2,0,1]=4 252 B6R0.3 CC(CBr)C(=O)O SC-53016 [0,1,0,0,0,0|2,0,0]=3 253 B6R0.3 CC(CN)C(=O)O SC-10095 [0,1,0,0,0,0|2,0,0]=3 254 B6R0.3 CC(CN)C(=O)O SC-16443 [0,1,0,0,0,0|2,0,0]=3 255 B6R0.3 CCC(F)C(=O)O SC-82839 [0,1,0,0,0,0|1,0,0]=2 256 B6R0.3 CCC(N)C(=O)O SC-25570 [0,1,0,0,0,0|1,0,0]=2 257 B6R0.3 CCC(N)C(N)=O SC-67619 [0,1,0,0,0,0|1,0,0]=2 258 B6R0.3 CCC(S)C(=O)O SC-90417 [0,1,0,0,0,0|1,0,0]=2 259 B6R0.3 CCN(O)C(C)=O SC-69302 [0,1,0,0,0,0|1,0,0]=2 260 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [0,1,0,0,0,0|1,0,0]=2 261 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,1,0,0,0,0|1,0,0]=2 262 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [0,1,0,0,0,0|1,0,0]=2 263 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,1,0,0,0,0|1,0,0]=2 264 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [0,1,0,0,0,0|1,0,0]=2 265 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [0,1,0,0,0,0|2,0,0]=3 266 B6R0.3 COC(=O)C(=O)Cl SC-27409 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.3 COC(=O)C(C)=O SC-15233 [0,1,0,0,0,0|1,0,1]=3 268 B6R0.3 COC(C)C(=O)O SC-49776 [0,1,0,0,0,0|2,0,0]=3 269 B6R0.3 COC(C)[C@@H](C)N SC-A2593 [0,1,0,0,0,0|2,0,1]=4 270 B6R0.3 CON(C)C(C)=O SC-20924 [0,1,0,0,0,0|2,0,0]=3 271 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [0,1,0,0,0,0|2,0,0]=3 274 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [0,1,0,0,0,0|2,0,0]=3 275 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.3 N#CC(N)C(N)=O SC-12334 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [0,1,0,0,0,0|2,0,0]=3 278 B6R0.3 NC(CO)C(=O)O SC-09828 [0,1,0,0,0,0|2,0,0]=3 279 B6R0.3 NC(CS)C(=O)O SC-16429 [0,1,0,0,0,0|2,0,0]=3 280 B6R0.3 NCC(N)C(=O)O SC-12518 [0,1,0,0,0,0|2,0,0]=3 281 B6R0.3 NCC(N)C(=O)O SC-26817 [0,1,0,0,0,0|2,0,0]=3 282 B6R0.3 NCC(O)C(=O)O SC-10335 [0,1,0,0,0,0|2,0,0]=3 283 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [0,1,0,0,0,0|2,0,0]=3 284 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,1,0,0,0,0|2,0,0]=3 285 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [0,1,0,0,0,0|2,0,0]=3 286 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [0,1,0,0,0,0|2,0,0]=3 287 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [0,1,0,0,0,0|2,0,0]=3 288 B6R0.3 O=C(O)C(=O)CBr SC-15238 [0,1,0,0,0,0|2,0,1]=4 289 B6R0.3 O=C(O)C(Br)CBr SC-26969 [0,1,0,0,0,0|2,0,0]=3 290 B6R0.3 O=C(O)C(O)CCl SC-83865 [0,1,0,0,0,0|2,0,0]=3 291 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [0,1,0,0,0,0|1,0,0]=2 292 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [0,1,0,0,0,0|2,0,0]=3 293 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [0,1,0,0,0,0|2,0,0]=3 294 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [0,1,0,0,0,0|2,0,0]=3 295 B6R0.4 C#CCOC(=O)Cl SC-71217 [0,1,0,0,0,0|1,0,2]=4 296 B6R0.4 C=C(C)CNCC SC-47240 [0,1,0,0,0,0|1,0,0]=2 297 B6R0.4 C=CCCC(=O)O SC-25836 [0,1,0,0,0,0|1,0,1]=3 298 B6R0.4 C=CCOC(=O)Cl SC-18715 [0,1,0,0,0,0|1,0,2]=4 299 B6R0.4 C=CNCC(=O)O SC-20808 [0,1,0,0,0,0|1,0,2]=4 300 B6R0.4 CC(=O)CCCBr SC-91341 [0,1,0,0,0,0|0,0,0]=1 301 B6R0.4 CC(=O)NCCN SC-19651 [0,1,0,0,0,0|1,0,0]=2 302 B6R0.4 CC(C)NCCCl SC-96276 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.4 CC(C)OCCBr SC-50384 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.4 CCCCC(=O)Cl SC-46867 [0,1,0,0,0,0|1,0,0]=2 305 B6R0.4 CC\C=C\C(=O)O SC-92876 [0,1,0,0,0,0|1,0,1]=3 306 B6R0.4 CN(C)CCC=O SC-12823 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.4 CN(C)CCCBr SC-12824 [0,1,0,0,0,0|2,0,0]=3 308 B6R0.4 CN(C)CCCBr SC-48972 [0,1,0,0,0,0|2,0,0]=3 309 B6R0.4 CN(C)CCCCl SC-18516 [0,1,0,0,0,0|2,0,0]=3 310 B6R0.4 CN(C)CCCCl SC-53120 [0,1,0,0,0,0|2,0,0]=3 311 B6R0.4 CNCCC(=O)O SC-27492 [0,1,0,0,0,0|1,0,0]=2 312 B6R0.4 CNCCC(=O)O SC-52914 [0,1,0,0,0,0|1,0,0]=2 313 B6R0.4 CNCCN(C)C SC-29103 [0,1,0,0,0,0|2,0,0]=3 314 B6R0.4 COCCC(=O)O SC-50255 [0,1,0,0,0,0|1,0,0]=2 315 B6R0.4 COCCN(C)C SC-21743 [0,1,0,0,0,0|2,0,0]=3 316 B6R0.4 CO\C=C\C(C)=O SC-71024 [0,1,0,0,0,0|0,0,2]=3 317 B6R0.4 CSCCC(=O)O SC-96567 [0,1,0,0,0,0|1,0,0]=2 318 B6R0.4 NCCCC(=O)O SC-10045 [0,1,0,0,0,0|1,0,0]=2 319 B6R0.4 O=C(Cl)CCCBr SC-70369 [0,1,0,0,0,0|1,0,0]=2 320 B6R0.4 O=C(O)C#CCO SC-89192 [0,1,0,0,0,0|1,0,2]=4 321 B6R0.4 O=C(O)CCCCl SC-89723 [0,1,0,0,0,0|1,0,0]=2 322 B6R0.4 O=C(O)\C=C\CBr SC-53654 [0,1,0,0,0,0|1,0,2]=4 323 B6R0.5 CC(C)(C)CCCl SC-41626 [0,1,0,0,0,0|2,0,1]=4 324 B6R0.5 CC(C)(N)CCO SC-89270 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.5 CC(C)(O)CCBr SC-A2798 [0,1,0,0,0,0|1,0,2]=4 326 B6R0.5 CC(C)(O)CCN SC-14242 [0,1,0,0,0,0|1,0,2]=4 327 B6R0.5 CC(C)(O)CCO SC-20680 [0,1,0,0,0,0|1,0,2]=4 328 B6R0.5 CCCP(=O)(O)O SC-A3323 [0,1,0,0,0,0|2,0,0]=3 329 B6R0.5 CCCS(=O)(=O)O SC-80781 [0,1,0,0,0,0|2,0,0]=3 330 B6R0.5 CCCS(N)(=O)=O SC-95067 [0,1,0,0,0,0|2,0,0]=3 331 B6R0.5 CCC[N+](C)(C)C SC-79778 [0,1,0,0,0,0|2,0,0]=3 332 B6R0.5 CCNS(=O)(=O)Cl SC-85052 [0,1,0,0,0,0|3,0,0]=4 333 B6R0.5 CCOP(=O)(F)F SC-43644 [0,1,0,0,0,0|3,0,0]=4 334 B6R0.5 CCOP(=O)(O)O SC-A3396 [0,1,0,0,0,0|3,0,0]=4 335 B6R0.5 CCOS(C)(=O)=O SC-21355 [0,1,0,0,0,0|2,0,0]=3 336 B6R0.5 CCOS(C)(=O)=O SC-80833 [0,1,0,0,0,0|2,0,0]=3 337 B6R0.5 CCS[Si](C)(C)C SC-90297 [0,1,0,0,0,0|2,1,0]=4 338 B6R0.5 COC[P+](C)(C)C SC-95671 [0,1,0,0,0,0|3,0,0]=4 339 B6R0.5 CS(=O)(=O)CCBr SC-03864 [0,1,0,0,0,0|2,0,0]=3 340 B6R0.5 CS(=O)(=O)CCN SC-12252 [0,1,0,0,0,0|2,0,0]=3 341 B6R0.5 C[N+](C)(C)CCS SC-A2164 [0,1,0,0,0,0|3,0,0]=4 342 B6R0.5 C[Si](C)(C)CCO SC-03182 [0,1,0,0,0,0|2,1,0]=4 343 B6R0.5 NCCP(=O)(O)O SC-98222 [0,1,0,0,0,0|3,0,0]=4 344 B6R0.5 O=P(O)(O)CCCl SC-79944 [0,1,0,0,0,0|3,0,0]=4 345 B6R0.5 O=S(=O)(O)CCBr SC-96124 [0,1,0,0,0,0|3,0,0]=4 346 B6R0.5 O=S(=O)(O)CCO SC-15822 [0,1,0,0,0,0|3,0,0]=4 347 B6R0.5 O=S(=O)([O-])CCO SC-80079 [0,1,0,0,0,0|3,0,0]=4 348 B6R1.2 BrC1CCNC1 SC-24702 [0,0,0,1,0,0|2,0,1]=4 349 B6R1.2 BrC1CCOC1 SC-49709 [0,0,0,1,0,0|2,0,1]=4 350 B6R1.2 CC1=CCCC1 SC-46849 [0,0,0,1,0,0|1,0,0]=2 351 B6R1.2 CC1=CCCO1 SC-69814 [0,0,0,1,0,0|0,0,2]=3 352 B6R1.2 CC1=NCCC1 SC-07079 [0,0,0,1,0,0|1,0,0]=2 353 B6R1.2 CC1CCCN1 SC-89376 [0,0,0,1,0,0|1,0,1]=3 354 B6R1.2 CC1CCCN1 SC-A3822 [0,0,0,1,0,0|1,0,1]=3 355 B6R1.2 CC1CCNC1 SC-24125 [0,0,0,1,0,0|2,0,1]=4 356 B6R1.2 CC1CCNC1 SC-49333 [0,0,0,1,0,0|2,0,1]=4 357 B6R1.2 CN1CCCC1 SC-19022 [0,0,0,1,0,0|2,0,0]=3 358 B6R1.2 C[C@@H]1CCNC1 SC-23714 [0,0,0,1,0,0|2,0,1]=4 359 B6R1.2 C[C@@H]1CCNC1 SC-50232 [0,0,0,1,0,0|2,0,1]=4 360 B6R1.2 C[C@H]1CCCN1 SC-95860 [0,0,0,1,0,0|1,0,1]=3 361 B6R1.2 C[C@H]1CCNC1 SC-50233 [0,0,0,1,0,0|2,0,1]=4 362 B6R1.2 FC1CCCC1 SC-09548 [0,0,0,1,0,0|1,0,1]=3 363 B6R1.2 FC1CCNC1 SC-28940 [0,0,0,1,0,0|2,0,1]=4 364 B6R1.2 F[C@H]1CCNC1 SC-43922 [0,0,0,1,0,0|2,0,1]=4 365 B6R1.2 NC1=NCCC1 SC-68430 [0,0,0,1,0,0|2,0,0]=3 366 B6R1.2 NC1=NCCO1 SC-89542 [0,0,0,1,0,0|2,0,1]=4 367 B6R1.2 NC1CCCC1 SC-84758 [0,0,0,1,0,0|1,0,1]=3 368 B6R1.2 NC1CCNC1 SC-18208 [0,0,0,1,0,0|2,0,1]=4 369 B6R1.2 NC1CCNC1 SC-62350 [0,0,0,1,0,0|2,0,1]=4 370 B6R1.2 NC1CCOC1 SC-12746 [0,0,0,1,0,0|2,0,1]=4 371 B6R1.2 NC1CCOC1 SC-35465 [0,0,0,1,0,0|2,0,1]=4 372 B6R1.2 NN1CCCC1 SC-01559 [0,0,0,1,0,0|2,0,0]=3 373 B6R1.2 NN1CCCC1 SC-65336 [0,0,0,1,0,0|2,0,0]=3 374 B6R1.2 N[C@@H]1CCOC1 SC-14942 [0,0,0,1,0,0|2,0,1]=4 375 B6R1.2 N[C@@H]1CCOC1 SC-26567 [0,0,0,1,0,0|2,0,1]=4 376 B6R1.2 N[C@H]1CCOC1 SC-14943 [0,0,0,1,0,0|2,0,1]=4 377 B6R1.2 O=C1C=CCC1 SC-07348 [0,0,0,1,0,0|0,0,2]=3 378 B6R1.2 O=C1C=CCN1 SC-67116 [0,0,0,1,0,0|1,0,2]=4 379 B6R1.2 O=C1C=CCO1 SC-50260 [0,0,0,1,0,0|1,0,2]=4 380 B6R1.2 O=C1CC=NN1 SC-89969 [0,0,0,1,0,0|2,0,1]=4 381 B6R1.2 O=C1CCCN1 SC-85210 [0,0,0,1,0,0|1,0,0]=2 382 B6R1.2 O=C1CCNC1 SC-24328 [0,0,0,1,0,0|1,0,0]=2 383 B6R1.2 O=C1CCNC1 SC-50749 [0,0,0,1,0,0|1,0,0]=2 384 B6R1.2 O=C1CCNN1 SC-21405 [0,0,0,1,0,0|2,0,0]=3 385 B6R1.2 O=C1CCOC1 SC-21867 [0,0,0,1,0,0|1,0,0]=2 386 B6R1.2 O=C1NCCO1 SC-04833 [0,0,0,1,0,0|2,0,0]=3 387 B6R1.2 O=C1NCCS1 SC-27050 [0,0,0,1,0,0|2,0,0]=3 388 B6R1.2 O=S1OCCO1 SC-15793 [0,0,0,1,0,0|3,0,0]=4 389 B6R1.2 OC1=NNCC1 SC-23225 [0,0,0,1,0,0|2,0,1]=4 390 B6R1.2 OC1CCCN1 SC-21341 [0,0,0,1,0,0|1,0,2]=4 391 B6R1.2 OC1CCNC1 SC-00623 [0,0,0,1,0,0|1,0,2]=4 392 B6R1.2 OC1CCNC1 SC-19629 [0,0,0,1,0,0|1,0,2]=4 393 B6R1.2 OC1CCNC1 SC-24957 [0,0,0,1,0,0|1,0,2]=4 394 B6R1.2 OC1CCNC1 SC-27708 [0,0,0,1,0,0|1,0,2]=4 395 B6R1.2 OC1CCOC1 SC-17875 [0,0,0,1,0,0|1,0,2]=4 396 B6R1.2 O[C@@H]1CCNC1 SC-00194 [0,0,0,1,0,0|1,0,2]=4 397 B6R1.2 O[C@@H]1CCNC1 SC-13984 [0,0,0,1,0,0|1,0,2]=4 398 B6R1.2 O[C@@H]1CCOC1 SC-07022 [0,0,0,1,0,0|1,0,2]=4 399 B6R1.2 O[C@H]1CCOC1 SC-08982 [0,0,0,1,0,0|1,0,2]=4 400 B6R1.2 O[C@H]1CCOC1 SC-50082 [0,0,0,1,0,0|1,0,2]=4 401 B6R1.2 [C@@H]1(C)CCCN1 SC-48604 [0,0,0,1,0,0|1,0,1]=3 402 B6R1.2 [C@H]1(O)CCNC1 SC-24229 [0,0,0,1,0,0|1,0,2]=4 403 B6R1.3 BrCCC1CC1 SC-52079 [0,0,0,1,0,0|2,0,1]=4 404 B6R1.3 BrCCC1CO1 SC-20894 [0,0,0,1,0,0|1,0,2]=4 405 B6R1.3 CNCC1CC1 SC-47993 [0,0,0,1,0,0|2,0,1]=4 406 B6R1.3 COC[C@@H]1CO1 SC-09011 [0,0,0,1,0,0|1,0,2]=4 407 B6R1.3 COC[C@H]1CO1 SC-06042 [0,0,0,1,0,0|1,0,2]=4 408 B6R1.3 CSCC1CO1 SC-50532 [0,0,0,1,0,0|1,0,2]=4 409 B6R1.3 ICCC1CC1 SC-B7584 [0,0,0,1,0,0|2,0,1]=4 410 B6R1.3 NCCC1CC1 SC-14247 [0,0,0,1,0,0|2,0,1]=4 411 B6R1.3 NCCC1CC1 SC-99606 [0,0,0,1,0,0|2,0,1]=4 412 B6R1.3 OCCC1CC1 SC-48582 [0,0,0,1,0,0|2,0,1]=4 413 B6R1.3 OCCC1CC1 SC-48583 [0,0,0,1,0,0|2,0,1]=4 414 B6R1.5 CN1CC(N)C1 SC-48566 [0,0,0,1,0,0|2,0,1]=4 415 B6R1.5 CN1CC(N)C1 SC-96394 [0,0,0,1,0,0|2,0,1]=4 416 B6R1.5 CN1CC(N)C1 SC-98163 [0,0,0,1,0,0|2,0,1]=4 417 B6R1.5 CN1CC(O)C1 SC-92160 [0,0,0,1,0,0|1,0,2]=4 418 B6R1.5 NC1CC(=O)C1 SC-50311 [0,0,0,1,0,0|1,0,0]=2 419 B6R1.5 NC1CC(=O)C1 SC-67476 [0,0,0,1,0,0|1,0,0]=2 420 B6R1.5 NC1CC(F)C1 SC-82347 [0,0,0,1,0,0|2,0,1]=4 421 B6R1.5 NC1CC(O)C1 SC-52840 [0,0,0,1,0,0|1,0,2]=4 422 B6R1.5 N[C@H]1C[C@@H](O)C1 SC-94821 [0,0,0,1,0,0|1,0,2]=4 423 B6R1.5 N[C@H]1C[C@H](O)C1 SC-51722 [0,0,0,1,0,0|1,0,2]=4 424 B6R1.5 N[C@H]1C[C@H](O)C1 SC-94820 [0,0,0,1,0,0|1,0,2]=4 425 B6R1.10 CC1(C)CNC1 SC-05287 [0,0,0,1,0,0|2,0,1]=4 426 B6R1.10 CC1(N)CCC1 SC-38385 [0,0,0,1,0,0|1,0,1]=3 427 B6R1.10 CC1(N)CCC1 SC-82175 [0,0,0,1,0,0|1,0,1]=3 428 B6R1.10 CC1(N)COC1 SC-25578 [0,0,0,1,0,0|2,0,1]=4 429 B6R1.10 CC1(O)CNC1 SC-43430 [0,0,0,1,0,0|1,0,2]=4 430 B6R1.10 C[Si]1(Cl)CCC1 SC-65745 [0,0,0,1,0,0|1,1,0]=3 431 B6R1.10 O=S1(=O)CCC1 SC-28013 [0,0,0,1,0,0|2,0,0]=3 432 B6R1.11 CC(=O)C1CC1 SC-17503 [0,0,0,1,0,0|0,0,0]=1 433 B6R1.11 CC(C)C1CO1 SC-72443 [0,0,0,1,0,0|2,0,1]=4 434 B6R1.11 CC(O)C1CC1 SC-19615 [0,0,0,1,0,0|0,0,2]=3 435 B6R1.11 CN(C)C1CC1 SC-00873 [0,0,0,1,0,0|2,0,0]=3 436 B6R1.11 C[C@@H](N)C1CC1 SC-83564 [0,0,0,1,0,0|1,0,1]=3 437 B6R1.11 C[C@H](N)C1CC1 SC-87033 [0,0,0,1,0,0|1,0,1]=3 438 B6R1.11 N=C(N)C1CC1 SC-05436 [0,0,0,1,0,0|2,0,0]=3 439 B6R1.11 N=C(N)C1CC1 SC-12465 [0,0,0,1,0,0|2,0,0]=3 440 B6R1.11 NC(=O)C1CC1 SC-92415 [0,0,0,1,0,0|1,0,0]=2 441 B6R1.11 O=C(Cl)C1CC1 SC-19263 [0,0,0,1,0,0|1,0,0]=2 442 B6R1.11 O=C(O)C1CC1 SC-22620 [0,0,0,1,0,0|1,0,0]=2 443 B6R1.11 O=C(O)C1CO1 SC-83949 [0,0,0,1,0,0|2,0,0]=3 444 B6R1.11 OB(O)C1CC1 SC-04359 [0,0,0,1,0,0|2,0,1]=4 445 B3R0.1 C=CCN SC-13610 [2,0,0,0,0,0|1,0,1]=4 446 B3R0.1 C=C[CH-]C SC-90438 [2,0,0,0,0,0|0,0,2]=4 447 B3R0.1 CCC[Zn+] SC-92929 [2,0,0,0,0,0|1,0,0]=3 448 B3R0.1 CCNN SC-47438 [2,0,0,0,0,0|2,0,0]=4 449 B3R0.1 CCNN SC-88458 [2,0,0,0,0,0|2,0,0]=4 450 B3R0.1 CCNO SC-82856 [2,0,0,0,0,0|1,0,1]=4 451 B3R0.1 CCO[NH3+] SC-76549 [2,0,0,0,0,0|2,0,0]=4 452 B3R0.1 CNNC SC-92981 [2,0,0,0,0,0|2,0,0]=4 453 B3R0.1 CNOC SC-17494 [2,0,0,0,0,0|2,0,0]=4 454 B3R0.1 CNOC SC-74340 [2,0,0,0,0,0|2,0,0]=4 455 B3R0.1 COCBr SC-13660 [2,0,0,0,0,0|2,0,0]=4 456 B3R0.1 C\C=C\Br SC-50117 [2,0,0,0,0,0|1,0,1]=4 457 B3R0.1 C\C=N\O SC-16388 [2,0,0,0,0,0|2,0,0]=4 458 B3R0.1 ClCCBr SC-16459 [2,0,0,0,0,0|2,0,0]=4 459 B3R0.1 ClCCI SC-93145 [2,0,0,0,0,0|2,0,0]=4 460 B3R0.1 FCCBr SC-16577 [2,0,0,0,0,0|2,0,0]=4 461 B3R0.1 NCCBr SC-11569 [2,0,0,0,0,0|2,0,0]=4 462 B3R0.1 NCCCl SC-15450 [2,0,0,0,0,0|2,0,0]=4 463 B3R0.1 NCCCl SC-40145 [2,0,0,0,0,0|2,0,0]=4 464 B3R0.1 NCCF SC-66629 [2,0,0,0,0,0|2,0,0]=4 465 B3R0.1 NCCF SC-89351 [2,0,0,0,0,0|2,0,0]=4 466 B3R0.1 NNC=O SC-22540 [2,0,0,0,0,0|2,0,0]=4 467 B3R0.1 OCCBr SC-26949 [2,0,0,0,0,0|1,0,1]=4 468 B3R0.1 OCCF SC-22570 [2,0,0,0,0,0|1,0,1]=4 469 B3R0.1 OCCI SC-46883 [2,0,0,0,0,0|1,0,1]=4 470 B3R0.1 OCCO SC-A3578 [2,0,0,0,0,0|1,0,1]=4 471 B3R0.1 SCCS SC-27058 [2,0,0,0,0,0|1,1,0]=4 472 B3R0.2 C=C(C)[Mg+] SC-70280 [2,0,0,0,0,0|1,0,1]=4 473 B3R0.2 CC(=N)N SC-19002 [2,0,0,0,0,0|2,0,0]=4 474 B3R0.2 CC(=O)O SC-16774 [2,0,0,0,0,0|1,0,0]=3 475 B3R0.2 CC(=O)O SC-27909 [2,0,0,0,0,0|1,0,0]=3 476 B3R0.2 CC(=O)[O-] SC-03583 [2,0,0,0,0,0|1,0,0]=3 477 B3R0.2 CC(=O)[O-] SC-12688 [2,0,0,0,0,0|1,0,0]=3 478 B3R0.2 CC(=O)[O-] SC-18918 [2,0,0,0,0,0|1,0,0]=3 479 B3R0.2 CC(=O)[O-] SC-18995 [2,0,0,0,0,0|1,0,0]=3 480 B3R0.2 CC(=O)[O-] SC-26584 [2,0,0,0,0,0|1,0,0]=3 481 B3R0.2 CC(=O)[O-] SC-46842 [2,0,0,0,0,0|1,0,0]=3 482 B3R0.2 CC(=O)[O-] SC-81401 [2,0,0,0,0,0|1,0,0]=3 483 B3R0.2 CC(=O)[O-] SC-88396 [2,0,0,0,0,0|1,0,0]=3 484 B3R0.2 CC(=O)[O-] SC-93306 [2,0,0,0,0,0|1,0,0]=3 485 B3R0.2 CC(C)[O-] SC-43831 [2,0,0,0,0,0|0,0,2]=4 486 B3R0.2 CC(C)[O-] SC-94197 [2,0,0,0,0,0|0,0,2]=4 487 B3R0.2 CC(N)=O SC-18410 [2,0,0,0,0,0|1,0,0]=3 488 B3R0.2 CC(N)=S SC-17261 [2,0,0,0,0,0|1,1,0]=4 489 B3R0.2 CC([O-])=S SC-15916 [2,0,0,0,0,0|1,0,1]=4 490 B3R0.2 CN(C)C SC-46902 [2,0,0,0,0,0|2,0,0]=4 491 B3R0.2 CS(=O)[O-] SC-19511 [2,0,0,0,0,0|2,0,0]=4 492 B3R0.2 C[PH](C)=O SC-72909 [2,0,0,0,0,0|1,0,0]=3 493 B3R0.2 C[S+](C)C SC-68838 [2,0,0,0,0,0|2,0,0]=4 494 B3R0.2 C[S+](C)C SC-97925 [2,0,0,0,0,0|2,0,0]=4 495 B3R0.2 NC(N)=O SC-75453 [2,0,0,0,0,0|2,0,0]=4 496 B3R0.2 NC(N)=O SC-81784 [2,0,0,0,0,0|2,0,0]=4 497 B3R0.2 O=C(O)O SC-18529 [2,0,0,0,0,0|2,0,0]=4 498 B3R0.2 O=C([O-])O SC-80213 [2,0,0,0,0,0|2,0,0]=4 499 B3R0.2 O=C([O-])[O-] SC-97647 [2,0,0,0,0,0|2,0,0]=4 500 B5R0.3 C#CC(=O)OC SC-27849 [1,1,0,0,0,0|0,0,2]=4 501 B5R0.3 C=C(CCl)CCl SC-21050 [1,1,0,0,0,0|2,0,0]=4 502 B5R0.3 C=C(CO)CO SC-17984 [1,1,0,0,0,0|2,0,0]=4 503 B5R0.3 CCC(=O)NN SC-25039 [1,1,0,0,0,0|1,0,0]=3 504 B5R0.3 CCC(C)CO SC-08990 [1,1,0,0,0,0|0,0,2]=4 505 B5R0.3 CCC(N)CC SC-81736 [1,1,0,0,0,0|1,0,1]=4 506 B5R0.3 CCC(N)CO SC-21072 [1,1,0,0,0,0|1,0,1]=4 507 B5R0.3 CCC(O)CC SC-62307 [1,1,0,0,0,0|0,0,2]=4 508 B5R0.3 CC[PH](=O)CC SC-96905 [1,1,0,0,0,0|1,0,0]=3 509 B5R0.3 CC\C(N)=N\O SC-28960 [1,1,0,0,0,0|1,0,1]=4 510 B5R0.3 CNC(=O)CBr SC-27946 [1,1,0,0,0,0|1,0,0]=3 511 B5R0.3 CNC(=O)CN SC-47802 [1,1,0,0,0,0|1,0,0]=3 512 B5R0.3 CNC(=O)OC SC-97890 [1,1,0,0,0,0|1,0,0]=3 513 B5R0.3 COC(=O)C#N SC-49091 [1,1,0,0,0,0|1,0,1]=4 514 B5R0.3 COC(=O)CBr SC-15855 [1,1,0,0,0,0|1,0,0]=3 515 B5R0.3 COC(=O)CN SC-09571 [1,1,0,0,0,0|1,0,0]=3 516 B5R0.3 COC(=O)CN SC-49390 [1,1,0,0,0,0|1,0,0]=3 517 B5R0.3 COC(=O)CO SC-28291 [1,1,0,0,0,0|1,0,0]=3 518 B5R0.3 COC(=O)CS SC-54102 [1,1,0,0,0,0|1,0,0]=3 519 B5R0.3 COS(=O)OC SC-25522 [1,1,0,0,0,0|2,0,0]=4 520 B5R0.3 CSC(=S)SC SC-19457 [1,1,0,0,0,0|1,1,0]=4 521 B5R0.3 NNC(=O)CO SC-83204 [1,1,0,0,0,0|2,0,0]=4 522 B5R0.3 O=C(CBr)CBr SC-99341 [1,1,0,0,0,0|1,0,0]=3 523 B5R0.3 O=C(CO)CO SC-07450 [1,1,0,0,0,0|1,0,0]=3 524 B5R0.3 [C@H](N)(CC)CO SC-08958 [1,1,0,0,0,0|1,0,1]=4 525 B5R0.4 CCC(C)(C)[O-] SC-25920 [1,1,0,0,0,0|0,0,2]=4 526 B5R0.4 CCS(=O)(=O)Cl SC-25371 [1,1,0,0,0,0|2,0,0]=4 527 B5R0.4 CCS(=O)(=O)O SC-46368 [1,1,0,0,0,0|2,0,0]=4 528 B5R0.4 CCS(N)(=O)=O SC-18888 [1,1,0,0,0,0|2,0,0]=4 529 B5R0.4 COS(C)(=O)=O SC-52027 [1,1,0,0,0,0|2,0,0]=4 530 B5R0.4 CSS(C)(=O)=O SC-24153 [1,1,0,0,0,0|2,0,0]=4 531 B5R0.5 C=C(C)C(N)=O SC-74591 [1,1,0,0,0,0|1,0,1]=4 532 B5R0.5 CC(=O)C(=O)O SC-17382 [1,1,0,0,0,0|1,0,1]=4 533 B5R0.5 CC(=O)C(=O)[O-] SC-17414 [1,1,0,0,0,0|1,0,1]=4 534 B5R0.5 CC(=O)C(C)C SC-18478 [1,1,0,0,0,0|0,0,0]=2 535 B5R0.5 CC(=O)C(C)Cl SC-46981 [1,1,0,0,0,0|0,0,0]=2 536 B5R0.5 CC(=O)C(C)S SC-17208 [1,1,0,0,0,0|0,0,0]=2 537 B5R0.5 CC(=O)C(F)F SC-99156 [1,1,0,0,0,0|1,0,0]=3 538 B5R0.5 CC(=O)N(C)C SC-54108 [1,1,0,0,0,0|1,0,0]=3 539 B5R0.5 CC(Br)C(N)=O SC-97497 [1,1,0,0,0,0|1,0,0]=3 540 B5R0.5 CC(C)C(=N)N SC-13079 [1,1,0,0,0,0|2,0,0]=4 541 B5R0.5 CC(C)N(C)C SC-90248 [1,1,0,0,0,0|2,0,0]=4 542 B5R0.5 CC(F)C(=O)O SC-83429 [1,1,0,0,0,0|1,0,0]=3 543 B5R0.5 CC(N)C(=O)O SC-09271 [1,1,0,0,0,0|1,0,0]=3 544 B5R0.5 CC(N)C(N)=O SC-94219 [1,1,0,0,0,0|1,0,0]=3 545 B5R0.5 CC(O)C(=O)[O-] SC-19308 [1,1,0,0,0,0|1,0,0]=3 546 B5R0.5 CC(O)C(=O)[O-] SC-25623 [1,1,0,0,0,0|1,0,0]=3 547 B5R0.5 CC(O)C(=O)[O-] SC-75139 [1,1,0,0,0,0|1,0,0]=3 548 B5R0.5 CC(O)C(C)O SC-08971 [1,1,0,0,0,0|0,0,2]=4 549 B5R0.5 CC(O)C(C)O SC-08972 [1,1,0,0,0,0|0,0,2]=4 550 B5R0.5 CC(O)C(C)O SC-81338 [1,1,0,0,0,0|0,0,2]=4 551 B5R0.5 CC(S)C(=O)O SC-74563 [1,1,0,0,0,0|1,0,0]=3 552 B5R0.5 CN(C)C(=O)Cl SC-15201 [1,1,0,0,0,0|2,0,0]=4 553 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [1,1,0,0,0,0|1,0,0]=3 554 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [1,1,0,0,0,0|1,0,0]=3 555 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [1,1,0,0,0,0|1,0,0]=3 556 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [1,1,0,0,0,0|1,0,0]=3 557 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [1,1,0,0,0,0|1,0,0]=3 558 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [1,1,0,0,0,0|1,0,0]=3 559 B5R0.5 C[C@H](N)C(=O)O SC-09272 [1,1,0,0,0,0|1,0,0]=3 560 B5R0.5 C[C@H](N)C(N)=O SC-03542 [1,1,0,0,0,0|1,0,0]=3 561 B5R0.5 C[C@H](O)C(N)=O SC-73228 [1,1,0,0,0,0|1,0,0]=3 562 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [1,1,0,0,0,0|2,0,0]=4 563 B5R0.5 O=C(O)C(F)Br SC-49620 [1,1,0,0,0,0|2,0,0]=4 564 B5R0.5 O=C(O)C(F)F SC-25529 [1,1,0,0,0,0|2,0,0]=4 565 B5R0.5 O=C([O-])C(Cl)Cl SC-15953 [1,1,0,0,0,0|2,0,0]=4 566 B5R0.5 [2H]C(=O)N(C)C SC-97589 [1,1,0,0,0,0|2,0,0]=4 567 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [1,1,0,0,0,0|1,0,0]=3 568 B5R0.2 BrC\C=C\CBr SC-06854 [1,1,0,0,0,0|1,0,1]=4 569 B5R0.2 C#CCCCCl SC-46678 [1,1,0,0,0,0|0,0,2]=4 570 B5R0.2 C#CCCCI SC-A2786 [1,1,0,0,0,0|0,0,2]=4 571 B5R0.2 C#CCCCN SC-48603 [1,1,0,0,0,0|0,0,2]=4 572 B5R0.2 C#CCCCN SC-99931 [1,1,0,0,0,0|0,0,2]=4 573 B5R0.2 C=CCCCBr SC-47340 [1,1,0,0,0,0|0,0,1]=3 574 B5R0.2 C=CCCCN SC-28944 [1,1,0,0,0,0|0,0,1]=3 575 B5R0.2 C=CCCCO SC-78424 [1,1,0,0,0,0|0,0,1]=3 576 B5R0.2 C=CCSSC SC-87236 [1,1,0,0,0,0|1,0,1]=4 577 B5R0.2 C=COCCO SC-22660 [1,1,0,0,0,0|1,0,1]=4 578 B5R0.2 CC#CCC=O SC-89818 [1,1,0,0,0,0|0,0,1]=3 579 B5R0.2 CCC#CCBr SC-B0289 [1,1,0,0,0,0|0,0,2]=4 580 B5R0.2 CCCCNN SC-68008 [1,1,0,0,0,0|1,0,1]=4 581 B5R0.2 CCSCCCl SC-43710 [1,1,0,0,0,0|1,0,1]=4 582 B5R0.2 CNCCC#N SC-15494 [1,1,0,0,0,0|1,0,1]=4 583 B5R0.2 CNCCCO SC-94106 [1,1,0,0,0,0|1,0,0]=3 584 B5R0.2 CNCCNC SC-19090 [1,1,0,0,0,0|1,0,0]=3 585 B5R0.2 CNCCOC SC-15056 [1,1,0,0,0,0|1,0,0]=3 586 B5R0.2 CNCCSC SC-74374 [1,1,0,0,0,0|1,0,0]=3 587 B5R0.2 CNCCSC SC-83575 [1,1,0,0,0,0|1,0,0]=3 588 B5R0.2 COCCC=O SC-85357 [1,1,0,0,0,0|0,0,0]=2 589 B5R0.2 COCCCBr SC-20920 [1,1,0,0,0,0|1,0,0]=3 590 B5R0.2 COCCNN SC-53129 [1,1,0,0,0,0|2,0,0]=4 591 B5R0.2 COCCNN SC-70814 [1,1,0,0,0,0|2,0,0]=4 592 B5R0.2 C\C=C\OCC SC-89361 [1,1,0,0,0,0|0,0,1]=3 593 B5R0.2 ClCCCCBr SC-17538 [1,1,0,0,0,0|1,0,1]=4 594 B5R0.2 ClC\C=C\CCl SC-72167 [1,1,0,0,0,0|1,0,1]=4 595 B5R0.2 FCCCCBr SC-43880 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.2 ICCCCI SC-69402 [1,1,0,0,0,0|1,0,1]=4 597 B5R0.2 N#CCCCBr SC-20060 [1,1,0,0,0,0|1,0,1]=4 598 B5R0.2 N#CCCCCl SC-16423 [1,1,0,0,0,0|1,0,1]=4 599 B5R0.2 NCCCCCl SC-14246 [1,1,0,0,0,0|1,0,1]=4 600 B5R0.2 NCCCCN SC-20919 [1,1,0,0,0,0|1,0,1]=4 601 B5R0.2 NCCCCO SC-48186 [1,1,0,0,0,0|0,0,2]=4 602 B5R0.2 O=C=NCCBr SC-82407 [1,1,0,0,0,0|1,0,1]=4 603 B5R0.2 O=C=NCCCl SC-13627 [1,1,0,0,0,0|1,0,1]=4 604 B5R0.2 O=CCCC=O SC-13455 [1,1,0,0,0,0|0,0,1]=3 605 B5R0.2 O=CCCCBr SC-69595 [1,1,0,0,0,0|0,0,0]=2 606 B5R0.2 OCCCCBr SC-12645 [1,1,0,0,0,0|0,0,2]=4 607 B5R0.2 OCCCCCl SC-23109 [1,1,0,0,0,0|0,0,2]=4 608 B5R0.2 OC\C=C/CO SC-27134 [1,1,0,0,0,0|1,0,1]=4 609 B5R0.2 OC\C=C\CBr SC-36162 [1,1,0,0,0,0|1,0,1]=4 610 B5R0.2 OC\C=C\CO SC-82263 [1,1,0,0,0,0|1,0,1]=4 611 B7R0.2 C=CC(=O)NC(C)C SC-47047 [0,2,0,0,0,0|1,0,1]=4 612 B7R0.2 CC(C)C[C@@H](N)CO SC-15764 [0,2,0,0,0,0|1,0,1]=4 613 B7R0.2 CC(C)C[C@H](N)CO SC-08985 [0,2,0,0,0,0|1,0,1]=4 614 B7R0.2 CC(C)NC(=O)CBr SC-02491 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,2,0,0,0,0|1,0,0]=3 616 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,2,0,0,0,0|1,0,0]=3 617 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,2,0,0,0,0|0,0,0]=2 618 B7R0.2 COC(=O)CC(=O)Cl SC-16087 [0,2,0,0,0,0|1,0,1]=4 619 B7R0.2 COC(=O)CC(=O)O SC-21351 [0,2,0,0,0,0|1,0,1]=4 620 B7R0.2 COC(=O)CC(C)Br SC-67097 [0,2,0,0,0,0|0,0,0]=2 621 B7R0.2 COC(=O)C[C@@H](C)N SC-88822 [0,2,0,0,0,0|0,0,0]=2 622 B7R0.2 COC(=O)C[C@@H](C)N SC-A1096 [0,2,0,0,0,0|0,0,0]=2 623 B7R0.2 COC(=O)C[N+](=O)[O-] SC-21869 [0,2,0,0,0,0|2,0,0]=4 624 B7R0.2 C\C(C=O)=C/N(C)C SC-93331 [0,2,0,0,0,0|1,0,1]=4 625 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,2,0,0,0,0|1,0,0]=3 626 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,2,0,0,0,0|1,0,0]=3 627 B7R0.3 C#CCCC(=O)OC SC-92252 [0,2,0,0,0,0|0,0,1]=3 628 B7R0.3 C=CCOC(=O)CCl SC-95960 [0,2,0,0,0,0|0,0,2]=4 629 B7R0.3 C=CCOC(=O)OC SC-82329 [0,2,0,0,0,0|0,0,2]=4 630 B7R0.3 CC(CCCO)NN SC-14213 [0,2,0,0,0,0|1,0,1]=4 631 B7R0.3 CCCCC(=N)OC SC-91480 [0,2,0,0,0,0|1,0,0]=3 632 B7R0.3 CCCCC(Br)CBr SC-94096 [0,2,0,0,0,0|1,0,1]=4 633 B7R0.3 CCCCC(O)CO SC-74356 [0,2,0,0,0,0|0,0,2]=4 634 B7R0.3 CCOCC(Cl)OC SC-94025 [0,2,0,0,0,0|1,0,1]=4 635 B7R0.3 CCOCC(O)CO SC-90419 [0,2,0,0,0,0|0,0,2]=4 636 B7R0.3 CCSCC(C)NN SC-14211 [0,2,0,0,0,0|1,0,1]=4 637 B7R0.3 COC(=O)C#CCO SC-48272 [0,2,0,0,0,0|0,0,2]=4 638 B7R0.3 COC(=O)CCC=O SC-47529 [0,2,0,0,0,0|0,0,1]=3 639 B7R0.3 COC(=O)CCCCl SC-15079 [0,2,0,0,0,0|0,0,0]=2 640 B7R0.3 COC(=O)CN=C=O SC-49023 [0,2,0,0,0,0|1,0,1]=4 641 B7R0.3 COC(=O)CN=[N+]=[N-] SC-96313 [0,2,0,0,0,0|2,0,0]=4 642 B7R0.3 COC(=O)\C=C\CBr SC-17676 [0,2,0,0,0,0|0,0,2]=4 643 B7R0.3 COC(=O)\C=C\CBr SC-49570 [0,2,0,0,0,0|0,0,2]=4 644 B7R0.3 COCCC(=O)OC SC-46379 [0,2,0,0,0,0|0,0,0]=2 645 B7R0.3 CO\C=C\C(=O)OC SC-90792 [0,2,0,0,0,0|0,0,2]=4 646 B7R0.3 [C-]#[N+]CCC(=O)OC SC-88998 [0,2,0,0,0,0|0,0,1]=3 647 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [0,2,0,0,0,0|1,0,1]=4 648 B7R0.5 C=CCC(N)C(=O)O SC-10030 [0,2,0,0,0,0|1,0,1]=4 649 B7R0.5 C=CCC(N)C(=O)O SC-10031 [0,2,0,0,0,0|1,0,1]=4 650 B7R0.5 C=CCC(N)C(=O)O SC-10032 [0,2,0,0,0,0|1,0,1]=4 651 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [0,2,0,0,0,0|1,0,1]=4 652 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [0,2,0,0,0,0|1,0,1]=4 653 B7R0.5 CC(C)C(=O)CC#N SC-26894 [0,2,0,0,0,0|1,0,1]=4 654 B7R0.5 CC(C)C(=O)OCCl SC-92989 [0,2,0,0,0,0|2,0,0]=4 655 B7R0.5 CCCC(Br)C(=O)O SC-27020 [0,2,0,0,0,0|1,0,0]=3 656 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [0,2,0,0,0,0|1,0,0]=3 657 B7R0.5 CCNC(=O)[C@H](C)O SC-12514 [0,2,0,0,0,0|1,0,0]=3 658 B7R0.5 CCOC(=O)C(=N)N SC-32236 [0,2,0,0,0,0|1,0,1]=4 659 B7R0.5 CCOC(=O)C(=O)Cl SC-26882 [0,2,0,0,0,0|1,0,1]=4 660 B7R0.5 CCOC(=O)C(=O)O SC-26569 [0,2,0,0,0,0|1,0,1]=4 661 B7R0.5 CCOC(=O)C(=O)[O-] SC-73549 [0,2,0,0,0,0|1,0,1]=4 662 B7R0.5 CCOC(=O)C(C)=O SC-15232 [0,2,0,0,0,0|0,0,1]=3 663 B7R0.5 CCOC(=O)C(C)Br SC-27136 [0,2,0,0,0,0|1,0,0]=3 664 B7R0.5 CCOC(=O)C(C)Cl SC-13657 [0,2,0,0,0,0|1,0,0]=3 665 B7R0.5 CCOC(=O)C(C)F SC-75945 [0,2,0,0,0,0|1,0,0]=3 666 B7R0.5 CCOC(=O)C(C)N SC-09294 [0,2,0,0,0,0|1,0,0]=3 667 B7R0.5 CCOC(=O)C(C)N SC-13100 [0,2,0,0,0,0|1,0,0]=3 668 B7R0.5 CCOC(=O)C(C)N SC-15274 [0,2,0,0,0,0|1,0,0]=3 669 B7R0.5 CCOC(=O)C(F)Br SC-22765 [0,2,0,0,0,0|1,0,0]=3 670 B7R0.5 CCOC(=O)C(N)=S SC-23134 [0,2,0,0,0,0|1,0,1]=4 671 B7R0.5 CCOC(=O)N(C)C SC-88157 [0,2,0,0,0,0|1,0,0]=3 672 B7R0.5 CCOC(=O)[C@@H](C)O SC-15791 [0,2,0,0,0,0|1,0,0]=3 673 B7R0.5 CN(C)C(=O)CC#N SC-46380 [0,2,0,0,0,0|1,0,1]=4 674 B7R0.5 CNCC(=O)N(C)C SC-A2871 [0,2,0,0,0,0|1,0,0]=3 675 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [0,2,0,0,0,0|1,0,0]=3 676 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [0,2,0,0,0,0|1,0,0]=3 677 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [0,2,0,0,0,0|1,0,0]=3 678 B7R0.5 NC(CCO)C(=O)O SC-10290 [0,2,0,0,0,0|1,0,0]=3 679 B7R0.5 NCCC(N)C(=O)O SC-10146 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.5 NCCC(N)C(=O)O SC-20723 [0,2,0,0,0,0|1,0,0]=3 681 B7R0.5 NCCC(N)C(=O)O SC-23452 [0,2,0,0,0,0|1,0,0]=3 682 B7R0.5 NCCC(N)C(=O)O SC-25055 [0,2,0,0,0,0|1,0,0]=3 683 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [0,2,0,0,0,0|1,0,0]=3 684 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [0,2,0,0,0,0|1,0,0]=3 685 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [0,2,0,0,0,0|1,0,0]=3 686 B7R0.7 CC#CC(=O)OCC SC-54369 [0,2,0,0,0,0|1,0,0]=3 687 B7R0.7 CCC[C@H](N)CCO SC-A3499 [0,2,0,0,0,0|1,0,1]=4 688 B7R0.7 CCOC(=O)C=[N+]=[N-] SC-25567 [0,2,0,0,0,0|1,0,1]=4 689 B7R0.7 CCOC(=O)CC#N SC-22643 [0,2,0,0,0,0|1,0,0]=3 690 B7R0.7 CCOC(=O)CC=O SC-14726 [0,2,0,0,0,0|1,0,0]=3 691 B7R0.7 CCOC(=O)CCI SC-02730 [0,2,0,0,0,0|1,0,0]=3 692 B7R0.7 CCOC(=O)CCN SC-83852 [0,2,0,0,0,0|1,0,0]=3 693 B7R0.7 CCOC(=O)CCO SC-43709 [0,2,0,0,0,0|1,0,0]=3 694 B7R0.7 CCOC(=O)CCS SC-44443 [0,2,0,0,0,0|1,0,0]=3 695 B7R0.7 CCOC(=O)CNN SC-06315 [0,2,0,0,0,0|1,0,0]=3 696 B7R0.7 CCOC(=O)N=C=S SC-27157 [0,2,0,0,0,0|1,0,1]=4 697 B7R0.7 CCOC(=O)OCC SC-25934 [0,2,0,0,0,0|1,0,0]=3 698 B7R0.7 CCOC(=O)OCCl SC-35252 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.7 CCOC(=O)\C=C\[O-] SC-71247 [0,2,0,0,0,0|1,0,1]=4 700 B7R0.7 CCO\C(C)=N/C#N SC-15795 [0,2,0,0,0,0|2,0,0]=4 701 B7R0.7 COCC(=O)COC SC-43684 [0,2,0,0,0,0|1,0,0]=3 702 B7R0.7 O=C(CCCl)CCCl SC-03815 [0,2,0,0,0,0|1,0,0]=3 703 B7R0.7 [C-]#[N+]CC(=O)OCC SC-03259 [0,2,0,0,0,0|1,0,0]=3 704 B7R0.10 C=C(CO)C(=O)OC SC-53992 [0,2,0,0,0,0|1,0,1]=4 705 B7R0.10 CCC(Br)C(Br)CC SC-94097 [0,2,0,0,0,0|1,0,1]=4 706 B7R0.10 CC[C@@H](O)C(=O)OC SC-49455 [0,2,0,0,0,0|0,0,0]=2 707 B7R0.10 CC[C@H](C)[C@H](N)CO SC-08984 [0,2,0,0,0,0|1,0,1]=4 708 B7R0.10 CC[C@H](N)C(=O)OC SC-33322 [0,2,0,0,0,0|0,0,0]=2 709 B7R0.10 CC[C@H](N)C(=O)OC SC-91370 [0,2,0,0,0,0|0,0,0]=2 710 B7R0.10 CNC(C)C(=O)OC SC-82127 [0,2,0,0,0,0|1,0,0]=3 711 B7R0.10 CN[C@@H](C)C(=O)OC SC-84501 [0,2,0,0,0,0|1,0,0]=3 712 B7R0.10 COC(=O)C(=O)CBr SC-15244 [0,2,0,0,0,0|1,0,1]=4 713 B7R0.10 COC(=O)C(Br)CO SC-87315 [0,2,0,0,0,0|1,0,0]=3 714 B7R0.10 COC(=O)C(Br)SC SC-83274 [0,2,0,0,0,0|1,0,0]=3 715 B7R0.10 COC(=O)C(C)CN SC-53925 [0,2,0,0,0,0|1,0,0]=3 716 B7R0.10 COC(=O)C(C)CO SC-08906 [0,2,0,0,0,0|1,0,0]=3 717 B7R0.10 COC(=O)C(C)CO SC-08907 [0,2,0,0,0,0|1,0,0]=3 718 B7R0.10 COC(=O)C(C)OC SC-92649 [0,2,0,0,0,0|1,0,0]=3 719 B7R0.10 COC(=O)C(Cl)C=O SC-53173 [0,2,0,0,0,0|1,0,1]=4 720 B7R0.10 COC(=O)C(Cl)CCl SC-48264 [0,2,0,0,0,0|1,0,0]=3 721 B7R0.10 COC(=O)C(N)CO SC-09862 [0,2,0,0,0,0|1,0,0]=3 722 B7R0.10 COC(=O)C(N)CO SC-51728 [0,2,0,0,0,0|1,0,0]=3 723 B7R0.10 COC(=O)[C@@H](C)CBr SC-08853 [0,2,0,0,0,0|1,0,0]=3 724 B7R0.10 COC(=O)[C@@H](N)CS SC-22400 [0,2,0,0,0,0|1,0,0]=3 725 B7R0.10 COC(=O)[C@@H](O)CO SC-44674 [0,2,0,0,0,0|1,0,0]=3 726 B7R0.10 COC(=O)[C@H](N)CCl SC-44813 [0,2,0,0,0,0|1,0,0]=3 727 B7R0.10 COC(=O)[C@H](N)CO SC-21448 [0,2,0,0,0,0|1,0,0]=3 728 B7R0.10 COC(=O)[C@H](N)CS SC-95830 [0,2,0,0,0,0|1,0,0]=3 729 B7R0.10 CON(C)C(=O)CCl SC-21890 [0,2,0,0,0,0|2,0,0]=4 730 B7R0.10 CON(C)C(=O)CF SC-14324 [0,2,0,0,0,0|2,0,0]=4 731 B7R0.10 C\C=C(/Br)C(=O)OC SC-89362 [0,2,0,0,0,0|0,0,2]=4 732 B7R0.11 CCCC(C)(Br)CBr SC-94098 [0,2,0,0,0,0|1,0,1]=4 733 B7R0.11 CCS(=O)(=O)CCN SC-21495 [0,2,0,0,0,0|2,0,0]=4 734 B7R0.9 CC(=O)CC(C)(C)S SC-82919 [0,2,0,0,0,0|0,0,0]=2 735 B7R0.9 CC(=O)N[Si](C)(C)C SC-10615 [0,2,0,0,0,0|1,1,0]=4 736 B7R0.9 CC(=O)OC(C)(C)C SC-22684 [0,2,0,0,0,0|1,0,0]=3 737 B7R0.9 CC(C)(C)OC(N)=O SC-44399 [0,2,0,0,0,0|2,0,0]=4 738 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [0,2,0,0,0,0|1,0,0]=3 739 B7R0.9 CC(C)(O)CC(=O)[O-] SC-17999 [0,2,0,0,0,0|1,0,0]=3 740 B7R0.9 CC(C)CS(=O)(=O)Cl SC-51212 [0,2,0,0,0,0|2,0,0]=4 741 B7R0.9 CN(C)CC(C)(C)O SC-48956 [0,2,0,0,0,0|2,0,0]=4 742 B7R0.9 CS(=O)(=O)CC(=O)O SC-23267 [0,2,0,0,0,0|2,0,0]=4 743 B7R0.9 C[N+](C)(C)CC(=O)[O-] SC-11650 [0,2,0,0,0,0|2,0,0]=4 744 B7R0.9 O=C(O)CC(F)(F)F SC-19589 [0,2,0,0,0,0|2,0,0]=4 745 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,2,0,0,0,0|1,0,1]=4 746 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [0,2,0,0,0,0|1,0,1]=4 747 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,2,0,0,0,0|1,0,0]=3 748 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,2,0,0,0,0|1,0,0]=3 749 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,2,0,0,0,0|1,0,0]=3 750 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,2,0,0,0,0|1,0,0]=3 751 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,2,0,0,0,0|1,0,0]=3 752 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,2,0,0,0,0|1,0,0]=3 753 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,2,0,0,0,0|1,0,0]=3 754 B7R0.16 CC(O)C(C)[N+](=O)[O-] SC-18769 [0,2,0,0,0,0|2,0,0]=4 755 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,2,0,0,0,0|1,0,0]=3 756 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,2,0,0,0,0|1,0,0]=3 757 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,2,0,0,0,0|1,0,0]=3 758 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,2,0,0,0,0|1,0,0]=3 759 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,2,0,0,0,0|1,0,0]=3 760 B7R0.13 CC(C)(CF)C(=O)O SC-91781 [0,2,0,0,0,0|2,0,0]=4 761 B7R0.13 CCC(F)(F)C(=O)O SC-06365 [0,2,0,0,0,0|1,0,0]=3 762 B7R0.13 CC[C@](C)(N)C(=O)O SC-85117 [0,2,0,0,0,0|1,0,0]=3 763 B7R0.13 COC(C)(C)C(=O)O SC-49777 [0,2,0,0,0,0|2,0,0]=4 764 B7R0.13 C[C@@](N)(CS)C(=O)O SC-48129 [0,2,0,0,0,0|2,0,0]=4 765 B7R0.15 CCN(CC)C(=O)Cl SC-74686 [0,2,0,0,0,0|2,0,0]=4 766 B7R0.15 CNC(CO)C(=O)O SC-26706 [0,2,0,0,0,0|2,0,0]=4 767 B7R0.15 COC(OC)C(C)=O SC-05972 [0,2,0,0,0,0|1,0,0]=3 768 B7R0.15 O=C(O)C(CBr)CBr SC-16780 [0,2,0,0,0,0|2,0,0]=4 769 B7R0.15 O=C(O)C(CF)CF SC-41163 [0,2,0,0,0,0|2,0,0]=4 770 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [0,2,0,0,0,0|2,0,0]=4 771 B7R0.4 C#CCCCC(=O)O SC-73017 [0,2,0,0,0,0|1,0,0]=3 772 B7R0.4 C#CCNCC(=O)O SC-10418 [0,2,0,0,0,0|1,0,1]=4 773 B7R0.4 C#CCNCC(=O)O SC-10419 [0,2,0,0,0,0|1,0,1]=4 774 B7R0.4 C#CCNCC(=O)O SC-65650 [0,2,0,0,0,0|1,0,1]=4 775 B7R0.4 C=CCCC[N+](=O)[O-] SC-89901 [0,2,0,0,0,0|2,0,0]=4 776 B7R0.4 C=CCNCC(=O)O SC-74362 [0,2,0,0,0,0|1,0,1]=4 777 B7R0.4 C=CCOCC(=O)O SC-49027 [0,2,0,0,0,0|1,0,1]=4 778 B7R0.4 CCCC#CC(=O)O SC-96568 [0,2,0,0,0,0|1,0,0]=3 779 B7R0.4 CCCNCC(=O)O SC-97541 [0,2,0,0,0,0|1,0,0]=3 780 B7R0.4 CCCSCC(=O)O SC-45283 [0,2,0,0,0,0|1,0,0]=3 781 B7R0.4 CCC\C=C\C(C)=O SC-49007 [0,2,0,0,0,0|0,0,0]=2 782 B7R0.4 CCO\C=C\C(=O)Cl SC-50076 [0,2,0,0,0,0|1,0,1]=4 783 B7R0.4 CCO\C=C\C(=O)O SC-89061 [0,2,0,0,0,0|1,0,1]=4 784 B7R0.4 CNCCCC(=O)O SC-49793 [0,2,0,0,0,0|1,0,0]=3 785 B7R0.4 CNCCCC(=O)O SC-A2900 [0,2,0,0,0,0|1,0,0]=3 786 B7R0.4 CNCCCN(C)C SC-95620 [0,2,0,0,0,0|2,0,0]=4 787 B7R0.4 COCCCC(=O)O SC-51378 [0,2,0,0,0,0|1,0,0]=3 788 B7R0.4 COCCNC(N)=O SC-62189 [0,2,0,0,0,0|1,0,0]=3 789 B7R0.4 C\C=C\CCC(=O)O SC-21245 [0,2,0,0,0,0|1,0,0]=3 790 B7R0.4 NC(=O)CCCCBr SC-98143 [0,2,0,0,0,0|1,0,0]=3 791 B7R0.4 NCCCCC(=O)O SC-10120 [0,2,0,0,0,0|1,0,0]=3 792 B7R0.4 NCCCCC(=O)O SC-92391 [0,2,0,0,0,0|1,0,0]=3 793 B7R0.4 NCCCCC(N)=O SC-94858 [0,2,0,0,0,0|1,0,0]=3 794 B7R0.4 NCCCCC(N)=O SC-A4262 [0,2,0,0,0,0|1,0,0]=3 795 B7R0.4 NCCNCC(=O)O SC-21750 [0,2,0,0,0,0|1,0,0]=3 796 B7R0.4 O=C(Cl)CCCCBr SC-13447 [0,2,0,0,0,0|1,0,0]=3 797 B7R0.4 O=C(Cl)CCCCCl SC-16009 [0,2,0,0,0,0|1,0,0]=3 798 B7R0.4 O=C(O)CCCCBr SC-02338 [0,2,0,0,0,0|1,0,0]=3 799 B7R0.4 O=C([O-])COCCO SC-A2671 [0,2,0,0,0,0|1,0,0]=3 800 B7R0.6 CC(=O)OCC(C)C SC-25600 [0,2,0,0,0,0|0,0,0]=2 801 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [0,2,0,0,0,0|0,0,2]=4 802 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,2,0,0,0,0|1,0,0]=3 803 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [0,2,0,0,0,0|2,0,0]=4 804 B7R0.6 CC(C)CNC(N)=S SC-88305 [0,2,0,0,0,0|1,1,0]=4 805 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,2,0,0,0,0|1,0,0]=3 806 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,2,0,0,0,0|1,0,0]=3 807 B7R0.6 CC(O)CCC(C)O SC-92842 [0,2,0,0,0,0|0,0,2]=4 808 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,2,0,0,0,0|1,0,0]=3 809 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,2,0,0,0,0|1,0,0]=3 810 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,2,0,0,0,0|1,0,0]=3 811 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,2,0,0,0,0|1,0,0]=3 812 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [0,2,0,0,0,0|0,0,2]=4 813 B7R0.6 N=C(N)CCC(N)=O SC-97509 [0,2,0,0,0,0|1,0,1]=4 814 B7R0.6 O=C(O)CCC(=O)O SC-47173 [0,2,0,0,0,0|1,0,1]=4 815 B7R0.8 CCCNS(N)(=O)=O SC-12816 [0,2,0,0,0,0|2,0,0]=4 816 B7R0.8 CCCNS(N)(=O)=O SC-90105 [0,2,0,0,0,0|2,0,0]=4 817 B7R0.8 CCNCC(C)(C)O SC-97759 [0,2,0,0,0,0|0,0,2]=4 818 B7R0.8 CNCCS(=O)(=O)O SC-99470 [0,2,0,0,0,0|2,0,0]=4 819 B7R0.8 CS(=O)(=O)CCCO SC-A4044 [0,2,0,0,0,0|1,0,0]=3 820 B7R0.8 CS(=O)(=O)CCC[NH3+] SC-26607 [0,2,0,0,0,0|1,0,0]=3 821 B7R0.8 NCCCS(=O)(=O)O SC-17979 [0,2,0,0,0,0|2,0,0]=4 822 B5R1.2 BrC1CCC1 SC-50402 [1,0,0,1,0,0|1,0,1]=4 823 B5R1.2 CC1CCN1 SC-70091 [1,0,0,1,0,0|1,0,1]=4 824 B5R1.2 CC1CCN1 SC-A3607 [1,0,0,1,0,0|1,0,1]=4 825 B5R1.2 CC1CCN1 SC-A3960 [1,0,0,1,0,0|1,0,1]=4 826 B5R1.2 IC1CCC1 SC-92367 [1,0,0,1,0,0|1,0,1]=4 827 B5R1.2 NC1CCC1 SC-20422 [1,0,0,1,0,0|1,0,1]=4 828 B5R1.2 O=C1CCC1 SC-00523 [1,0,0,1,0,0|0,0,0]=2 829 B5R1.2 O=C1CCN1 SC-44172 [1,0,0,1,0,0|1,0,0]=3 830 B5R1.2 O=C1CNC1 SC-48283 [1,0,0,1,0,0|1,0,0]=3 831 B5R1.2 O=C1COC1 SC-21889 [1,0,0,1,0,0|1,0,0]=3 832 B5R1.3 CC[C@@H]1CO1 SC-52802 [1,0,0,1,0,0|0,0,2]=4 833 B5R1.5 CC1(N)CC1 SC-43846 [1,0,0,1,0,0|1,0,1]=4 834 B5R1.5 CC1(N)CC1 SC-69791 [1,0,0,1,0,0|1,0,1]=4 835 B5R1.1 C1=CCCC1 SC-18920 [1,0,0,1,0,0|0,0,1]=3 836 B5R1.1 C1=CCOC1 SC-47076 [1,0,0,1,0,0|1,0,1]=4 837 B5R1.1 C1=CNCC1 SC-88946 [1,0,0,1,0,0|1,0,1]=4 838 B5R1.1 C1CSCN1 SC-91699 [1,0,0,1,0,0|2,0,0]=4 839 B7R1.1 BrCC1CCCC1 SC-04017 [0,1,0,1,0,0|1,0,1]=4 840 B7R1.1 BrCC1CCCO1 SC-00526 [0,1,0,1,0,0|0,0,2]=4 841 B7R1.1 C#CC1CCCC1 SC-82441 [0,1,0,1,0,0|1,0,1]=4 842 B7R1.1 CCC1CCCN1 SC-29181 [0,1,0,1,0,0|1,0,1]=4 843 B7R1.1 CNC1CCCC1 SC-52894 [0,1,0,1,0,0|1,0,1]=4 844 B7R1.1 CNC1CCCC1 SC-A3381 [0,1,0,1,0,0|1,0,1]=4 845 B7R1.1 COC1=NCCC1 SC-72634 [0,1,0,1,0,0|1,0,0]=3 846 B7R1.1 N#CC1CCCC1 SC-84423 [0,1,0,1,0,0|1,0,1]=4 847 B7R1.1 NCC1CCCC1 SC-22285 [0,1,0,1,0,0|1,0,1]=4 848 B7R1.1 NCC1CCCC1 SC-25234 [0,1,0,1,0,0|1,0,1]=4 849 B7R1.1 NCC1CCCN1 SC-98158 [0,1,0,1,0,0|1,0,1]=4 850 B7R1.1 NC[C@@H]1CCCO1 SC-28608 [0,1,0,1,0,0|0,0,2]=4 851 B7R1.1 NNC1CCCC1 SC-12771 [0,1,0,1,0,0|1,0,1]=4 852 B7R1.1 NNC1CCCC1 SC-62645 [0,1,0,1,0,0|1,0,1]=4 853 B7R1.1 O=CC1CCCC1 SC-21778 [0,1,0,1,0,0|0,0,1]=3 854 B7R1.1 O=CC1CCCC1 SC-44728 [0,1,0,1,0,0|0,0,1]=3 855 B7R1.1 O=CC1CCNC1 SC-85271 [0,1,0,1,0,0|1,0,1]=4 856 B7R1.1 OCC1CCCC1 SC-03842 [0,1,0,1,0,0|0,0,2]=4 857 B7R1.1 OCC1CCCN1 SC-12006 [0,1,0,1,0,0|1,0,1]=4 858 B7R1.1 OCC1CCCO1 SC-94849 [0,1,0,1,0,0|0,0,2]=4 859 B7R1.1 OC[C@@H]1CCCN1 SC-02696 [0,1,0,1,0,0|1,0,1]=4 860 B7R1.1 OC[C@@H]1CCCN1 SC-48321 [0,1,0,1,0,0|1,0,1]=4 861 B7R1.1 OC[C@@H]1CCCO1 SC-20330 [0,1,0,1,0,0|0,0,2]=4 862 B7R1.1 OC[C@H]1CCCN1 SC-06270 [0,1,0,1,0,0|1,0,1]=4 863 B7R1.2 CC1=CC(=O)CC1 SC-18727 [0,1,0,1,0,0|0,0,1]=3 864 B7R1.2 CC1=CC(=O)OC1 SC-25541 [0,1,0,1,0,0|0,0,2]=4 865 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,1,0,1,0,0|0,0,0]=2 866 B7R1.2 CC1CNC(=O)C1 SC-50248 [0,1,0,1,0,0|0,0,0]=2 867 B7R1.2 CC1COC(=O)C1 SC-60836 [0,1,0,1,0,0|0,0,0]=2 868 B7R1.2 CC1COC(=O)O1 SC-65189 [0,1,0,1,0,0|1,0,0]=3 869 B7R1.2 CN1CCC(N)C1 SC-48840 [0,1,0,1,0,0|1,0,1]=4 870 B7R1.2 CN1CC[C@@H](O)C1 SC-49684 [0,1,0,1,0,0|0,0,2]=4 871 B7R1.2 CN1CC[C@H](O)C1 SC-23905 [0,1,0,1,0,0|0,0,2]=4 872 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [0,1,0,1,0,0|1,0,0]=3 873 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [0,1,0,1,0,0|1,0,0]=3 874 B7R1.2 NC1CCC(O)C1 SC-47773 [0,1,0,1,0,0|0,0,2]=4 875 B7R1.2 NC1CCC(O)C1 SC-47979 [0,1,0,1,0,0|0,0,2]=4 876 B7R1.2 NC1CCC(O)C1 SC-49660 [0,1,0,1,0,0|0,0,2]=4 877 B7R1.2 NC1CCC(O)C1 SC-51126 [0,1,0,1,0,0|0,0,2]=4 878 B7R1.2 NC1CCC(O)C1 SC-92977 [0,1,0,1,0,0|0,0,2]=4 879 B7R1.2 NC1CNC(=O)C1 SC-66063 [0,1,0,1,0,0|1,0,0]=3 880 B7R1.2 NC1COC(=O)C1 SC-34183 [0,1,0,1,0,0|1,0,0]=3 881 B7R1.2 N[C@@H]1CC[C@H](O)C1 SC-83316 [0,1,0,1,0,0|0,0,2]=4 882 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [0,1,0,1,0,0|1,0,0]=3 883 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [0,1,0,1,0,0|1,0,0]=3 884 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-42369 [0,1,0,1,0,0|0,0,2]=4 885 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-47775 [0,1,0,1,0,0|0,0,2]=4 886 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-47774 [0,1,0,1,0,0|0,0,2]=4 887 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-93243 [0,1,0,1,0,0|0,0,2]=4 888 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,1,0,1,0,0|1,0,0]=3 889 B7R1.2 O=C1CCC(=O)C1 SC-15331 [0,1,0,1,0,0|0,0,1]=3 890 B7R1.2 O=C1CCC(=O)N1 SC-26697 [0,1,0,1,0,0|1,0,1]=4 891 B7R1.2 O=C1CNC(=O)C1 SC-88883 [0,1,0,1,0,0|1,0,1]=4 892 B7R1.2 O=C1COC(=O)C1 SC-86968 [0,1,0,1,0,0|1,0,1]=4 893 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,1,0,1,0,0|1,0,0]=3 894 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,1,0,1,0,0|1,0,0]=3 895 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,1,0,1,0,0|1,0,0]=3 896 B7R1.3 BrC1=CCCCC1 SC-69986 [0,1,0,1,0,0|1,0,0]=3 897 B7R1.3 BrC1CCCOC1 SC-43426 [0,1,0,1,0,0|1,0,1]=4 898 B7R1.3 BrC1CCNCC1 SC-05213 [0,1,0,1,0,0|1,0,1]=4 899 B7R1.3 BrC1CCNCC1 SC-48705 [0,1,0,1,0,0|1,0,1]=4 900 B7R1.3 BrC1CCOCC1 SC-27394 [0,1,0,1,0,0|1,0,1]=4 901 B7R1.3 C=C1CCNCC1 SC-88353 [0,1,0,1,0,0|1,0,0]=3 902 B7R1.3 CC1=CCCCC1 SC-99243 [0,1,0,1,0,0|1,0,0]=3 903 B7R1.3 CC1=CCCNC1 SC-82898 [0,1,0,1,0,0|1,0,0]=3 904 B7R1.3 CC1=CCNCC1 SC-B8899 [0,1,0,1,0,0|1,0,0]=3 905 B7R1.3 CC1CCCCC1 SC-79075 [0,1,0,1,0,0|1,0,1]=4 906 B7R1.3 CC1CCCNC1 SC-46299 [0,1,0,1,0,0|1,0,1]=4 907 B7R1.3 CC1CCNCC1 SC-05890 [0,1,0,1,0,0|1,0,1]=4 908 B7R1.3 CC1CNCCO1 SC-49158 [0,1,0,1,0,0|0,0,2]=4 909 B7R1.3 CC1CNCCO1 SC-82780 [0,1,0,1,0,0|0,0,2]=4 910 B7R1.3 CC1CNCCO1 SC-A3535 [0,1,0,1,0,0|0,0,2]=4 911 B7R1.3 CC1COCCN1 SC-49161 [0,1,0,1,0,0|1,0,1]=4 912 B7R1.3 CN1CCNCC1 SC-00315 [0,1,0,1,0,0|2,0,0]=4 913 B7R1.3 CN1CCNCC1 SC-66326 [0,1,0,1,0,0|2,0,0]=4 914 B7R1.3 C[C@@H]1CNCCO1 SC-43965 [0,1,0,1,0,0|0,0,2]=4 915 B7R1.3 C[C@@H]1CNCCO1 SC-88816 [0,1,0,1,0,0|0,0,2]=4 916 B7R1.3 C[C@@H]1COCCN1 SC-53994 [0,1,0,1,0,0|1,0,1]=4 917 B7R1.3 C[C@H]1CCCNC1 SC-99949 [0,1,0,1,0,0|1,0,1]=4 918 B7R1.3 C[C@H]1CNCCO1 SC-44479 [0,1,0,1,0,0|0,0,2]=4 919 B7R1.3 C[C@H]1COCCN1 SC-21564 [0,1,0,1,0,0|1,0,1]=4 920 B7R1.3 C[C@H]1COCCN1 SC-69967 [0,1,0,1,0,0|1,0,1]=4 921 B7R1.3 C[SiH]1CCCCO1 SC-91060 [0,1,0,1,0,0|0,1,1]=4 922 B7R1.3 ClC1CCCCO1 SC-85266 [0,1,0,1,0,0|1,0,1]=4 923 B7R1.3 FC1CCCCC1 SC-09547 [0,1,0,1,0,0|1,0,1]=4 924 B7R1.3 FC1CCCNC1 SC-21265 [0,1,0,1,0,0|1,0,1]=4 925 B7R1.3 IC1CCOCC1 SC-98886 [0,1,0,1,0,0|1,0,1]=4 926 B7R1.3 NC1CCCNC1 SC-54118 [0,1,0,1,0,0|1,0,1]=4 927 B7R1.3 NC1CCCNC1 SC-77469 [0,1,0,1,0,0|1,0,1]=4 928 B7R1.3 NC1CCCOC1 SC-35742 [0,1,0,1,0,0|1,0,1]=4 929 B7R1.3 NC1CCCOC1 SC-49332 [0,1,0,1,0,0|1,0,1]=4 930 B7R1.3 NC1CCNCC1 SC-00743 [0,1,0,1,0,0|1,0,1]=4 931 B7R1.3 NC1CCNCC1 SC-03792 [0,1,0,1,0,0|1,0,1]=4 932 B7R1.3 NC1CCOCC1 SC-03529 [0,1,0,1,0,0|1,0,1]=4 933 B7R1.3 NC1CCOCC1 SC-04006 [0,1,0,1,0,0|1,0,1]=4 934 B7R1.3 NC1CCSCC1 SC-35455 [0,1,0,1,0,0|1,0,1]=4 935 B7R1.3 NC1CCSCC1 SC-49681 [0,1,0,1,0,0|1,0,1]=4 936 B7R1.3 NN1CCCCC1 SC-18780 [0,1,0,1,0,0|2,0,0]=4 937 B7R1.3 NN1CCOCC1 SC-27139 [0,1,0,1,0,0|2,0,0]=4 938 B7R1.3 N[C@@H]1CCCNC1 SC-03568 [0,1,0,1,0,0|1,0,1]=4 939 B7R1.3 N[C@@H]1CCCOC1 SC-71639 [0,1,0,1,0,0|1,0,1]=4 940 B7R1.3 N[C@@H]1CCCOC1 SC-96408 [0,1,0,1,0,0|1,0,1]=4 941 B7R1.3 N[C@H]1CCCNC1 SC-25042 [0,1,0,1,0,0|1,0,1]=4 942 B7R1.3 N[C@H]1CCCOC1 SC-94110 [0,1,0,1,0,0|1,0,1]=4 943 B7R1.3 O=C1C=CCCN1 SC-25185 [0,1,0,1,0,0|0,0,2]=4 944 B7R1.3 O=C1C=CCCO1 SC-50374 [0,1,0,1,0,0|0,0,2]=4 945 B7R1.3 O=C1CCCCN1 SC-16274 [0,1,0,1,0,0|0,0,0]=2 946 B7R1.3 O=C1CCCCO1 SC-65111 [0,1,0,1,0,0|0,0,0]=2 947 B7R1.3 O=C1CCCNC1 SC-29391 [0,1,0,1,0,0|0,0,0]=2 948 B7R1.3 O=C1CCCNC1 SC-48015 [0,1,0,1,0,0|0,0,0]=2 949 B7R1.3 O=C1CCCOC1 SC-14944 [0,1,0,1,0,0|0,0,0]=2 950 B7R1.3 O=C1CCNCC1 SC-04236 [0,1,0,1,0,0|0,0,0]=2 951 B7R1.3 O=C1CCNCC1 SC-04379 [0,1,0,1,0,0|0,0,0]=2 952 B7R1.3 O=C1CCNCC1 SC-19352 [0,1,0,1,0,0|0,0,0]=2 953 B7R1.3 O=C1CCOCC1 SC-03251 [0,1,0,1,0,0|0,0,0]=2 954 B7R1.3 O=C1CCSCC1 SC-19697 [0,1,0,1,0,0|0,0,0]=2 955 B7R1.3 O=C1CNCCN1 SC-05365 [0,1,0,1,0,0|1,0,0]=3 956 B7R1.3 O=C1CNCCO1 SC-84883 [0,1,0,1,0,0|1,0,0]=3 957 B7R1.3 O=C1COCCN1 SC-24222 [0,1,0,1,0,0|1,0,0]=3 958 B7R1.3 O=C1CSCCN1 SC-28581 [0,1,0,1,0,0|1,0,0]=3 959 B7R1.3 OC1CCCCO1 SC-84303 [0,1,0,1,0,0|0,0,2]=4 960 B7R1.3 OC1CCCNC1 SC-06262 [0,1,0,1,0,0|0,0,2]=4 961 B7R1.3 OC1CCCNC1 SC-47771 [0,1,0,1,0,0|0,0,2]=4 962 B7R1.3 OC1CCCOC1 SC-19794 [0,1,0,1,0,0|0,0,2]=4 963 B7R1.3 OC1CCCOC1 SC-35801 [0,1,0,1,0,0|0,0,2]=4 964 B7R1.3 OC1CCNCC1 SC-05165 [0,1,0,1,0,0|0,0,2]=4 965 B7R1.3 OC1CCOCC1 SC-02372 [0,1,0,1,0,0|0,0,2]=4 966 B7R1.3 OC1CCSCC1 SC-35917 [0,1,0,1,0,0|0,0,2]=4 967 B7R1.3 ON1CCCCC1 SC-13334 [0,1,0,1,0,0|1,0,1]=4 968 B7R1.3 O[C@@H]1CCCNC1 SC-12564 [0,1,0,1,0,0|0,0,2]=4 969 B7R1.3 O[C@H]1CCCNC1 SC-19802 [0,1,0,1,0,0|0,0,2]=4 970 B7R1.3 SC1CCOCC1 SC-47759 [0,1,0,1,0,0|0,1,1]=4 971 B7R1.3 [C@H]1(C)CNCCN1 SC-16783 [0,1,0,1,0,0|1,0,1]=4 972 B7R1.4 C=C1CCOC1=O SC-19579 [0,1,0,1,0,0|1,0,1]=4 973 B7R1.4 CC1=CCCC1=O SC-15856 [0,1,0,1,0,0|0,0,1]=3 974 B7R1.4 CC1CCCC1=O SC-89605 [0,1,0,1,0,0|0,0,0]=2 975 B7R1.4 CC1CCNC1=O SC-21672 [0,1,0,1,0,0|1,0,0]=3 976 B7R1.4 CC1CCOC1=O SC-20996 [0,1,0,1,0,0|1,0,0]=3 977 B7R1.4 CN1CCNC1=O SC-89793 [0,1,0,1,0,0|1,0,0]=3 978 B7R1.4 NC1CCCC1O SC-21764 [0,1,0,1,0,0|0,0,2]=4 979 B7R1.4 NC1CCNC1=O SC-13910 [0,1,0,1,0,0|1,0,0]=3 980 B7R1.4 NC1CCNC1=O SC-53072 [0,1,0,1,0,0|1,0,0]=3 981 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [0,1,0,1,0,0|1,0,0]=3 982 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [0,1,0,1,0,0|1,0,0]=3 983 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [0,1,0,1,0,0|1,0,0]=3 984 B7R1.4 N[C@H]1CCC[C@@H]1O SC-27686 [0,1,0,1,0,0|0,0,2]=4 985 B7R1.4 N[C@H]1CCC[C@H]1N SC-83490 [0,1,0,1,0,0|1,0,1]=4 986 B7R1.4 N[C@H]1CCNC1=O SC-96457 [0,1,0,1,0,0|1,0,0]=3 987 B7R1.4 N[C@H]1CCOC1=O SC-01385 [0,1,0,1,0,0|1,0,0]=3 988 B7R1.4 N[C@H]1CCOC1=O SC-28113 [0,1,0,1,0,0|1,0,0]=3 989 B7R1.4 O=C1CCCC1Cl SC-21538 [0,1,0,1,0,0|0,0,0]=2 990 B7R1.4 O=C1NCCC1O SC-26159 [0,1,0,1,0,0|1,0,0]=3 991 B7R1.4 O=C1NCC[C@H]1O SC-87526 [0,1,0,1,0,0|1,0,0]=3 992 B7R1.4 O=C1OCCC1Br SC-15437 [0,1,0,1,0,0|1,0,0]=3 993 B7R1.4 O[C@@H]1CCC[C@H]1O SC-A2623 [0,1,0,1,0,0|0,0,2]=4 994 B7R1.4 [C@@H]1(N)CCC[C@H]1O SC-16146 [0,1,0,1,0,0|0,0,2]=4 995 B7R1.4 [C@H]1(N)CCC[C@H]1O SC-25435 [0,1,0,1,0,0|0,0,2]=4 996 B7R1.10 C=C1CC(C#N)C1 SC-47516 [0,1,0,1,0,0|1,0,1]=4 997 B7R1.10 CN1CC(CN)C1 SC-21131 [0,1,0,1,0,0|2,0,0]=4 998 B7R1.10 COC1CC(O)C1 SC-A4338 [0,1,0,1,0,0|0,0,2]=4 999 B7R1.10 O=C1CC(CO)C1 SC-86648 [0,1,0,1,0,0|0,0,0]=2 1000 B7R1.22 COC(=O)C1CC1 SC-16131 [0,1,0,1,0,0|0,0,0]=2 1001 B7R1.22 NCC(O)C1CC1 SC-21038 [0,1,0,1,0,0|0,0,2]=4 1002 B7R1.22 NNC(=O)C1CC1 SC-B6986 [0,1,0,1,0,0|1,0,0]=3 1003 B7R1.22 N\C(=N/O)C1CC1 SC-23549 [0,1,0,1,0,0|1,0,1]=4 1004 B7R1.22 O=C(CBr)C1CC1 SC-20322 [0,1,0,1,0,0|0,0,0]=2 1005 B7R1.25 NC1(CO)CCC1 SC-17718 [0,1,0,1,0,0|1,0,1]=4 1006 B7R1.25 NC1(CO)CCC1 SC-B7244 [0,1,0,1,0,0|1,0,1]=4 1007 B7R1.25 NCC1(N)CCC1 SC-53140 [0,1,0,1,0,0|1,0,1]=4 1008 B7R1.25 NCC1(O)CCC1 SC-44159 [0,1,0,1,0,0|0,0,2]=4 1009 B7R1.12 O=C(O)C1CC1F SC-85228 [0,1,0,1,0,0|1,0,0]=3 1010 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,1,0,1,0,0|1,0,0]=3 1011 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,1,0,1,0,0|1,0,0]=3 1012 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,1,0,1,0,0|1,0,0]=3 1013 B7R1.16 C[C@]1(O)C[C@@H](N)C1 SC-B8262 [0,1,0,1,0,0|0,0,2]=4 1014 B7R1.16 C[C@]1(O)C[C@H](N)C1 SC-52968 [0,1,0,1,0,0|0,0,2]=4 1015 B7R1.20 CC(=O)CC1CC1 SC-21396 [0,1,0,1,0,0|0,0,0]=2 1016 B7R1.20 NC(=O)NC1CC1 SC-84633 [0,1,0,1,0,0|1,0,0]=3 1017 B7R1.20 O=C(O)CC1CC1 SC-13938 [0,1,0,1,0,0|1,0,0]=3 1018 B7R1.18 CC(=O)C1CCC1 SC-74316 [0,1,0,1,0,0|0,0,0]=2 1019 B7R1.18 CC(O)C1CCC1 SC-22088 [0,1,0,1,0,0|0,0,2]=4 1020 B7R1.18 CN(C)C1CNC1 SC-51315 [0,1,0,1,0,0|2,0,0]=4 1021 B7R1.18 CN(C)C1CNC1 SC-94793 [0,1,0,1,0,0|2,0,0]=4 1022 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [0,1,0,1,0,0|1,0,0]=3 1023 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [0,1,0,1,0,0|1,0,0]=3 1024 B7R1.18 O=C(O)C1CCC1 SC-17776 [0,1,0,1,0,0|1,0,0]=3 1025 B7R1.18 O=C(O)C1CCO1 SC-22549 [0,1,0,1,0,0|1,0,0]=3 1026 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [0,1,0,1,0,0|1,0,0]=3 1027 B7R1.19 CC(=O)C1(F)CC1 SC-83098 [0,1,0,1,0,0|0,0,0]=2 1028 B7R1.19 CC1(C(=O)O)CC1 SC-21186 [0,1,0,1,0,0|1,0,0]=3 1029 B7R1.19 CC1(C(=O)O)CO1 SC-A2140 [0,1,0,1,0,0|2,0,0]=4 1030 B7R1.19 NC1(C(=O)O)CC1 SC-11059 [0,1,0,1,0,0|1,0,0]=3 1031 B7R1.19 NC1(C(=O)O)CC1 SC-21274 [0,1,0,1,0,0|1,0,0]=3 1032 B7R1.19 O=C(O)C1(F)CC1 SC-49577 [0,1,0,1,0,0|1,0,0]=3 1033 B7R1.19 O=C(O)C1(O)CC1 SC-19780 [0,1,0,1,0,0|1,0,0]=3 1034 B7R1.14 CC1(C)CCCN1 SC-89406 [0,1,0,1,0,0|1,0,1]=4 1035 B7R1.14 CC1(C)CCNC1 SC-B8345 [0,1,0,1,0,0|1,0,1]=4 1036 B7R1.14 CC1(O)CCNC1 SC-65706 [0,1,0,1,0,0|0,0,2]=4 1037 B7R1.14 C[C@]1(O)CCNC1 SC-91785 [0,1,0,1,0,0|0,0,2]=4 1038 B7R1.14 ClC1(Cl)CCCC1 SC-51368 [0,1,0,1,0,0|1,0,1]=4 1039 B7R1.14 O=S1(=O)CCCC1 SC-46369 [0,1,0,1,0,0|1,0,0]=3 1040 B7R1.14 O=S1(=O)CCCN1 SC-82164 [0,1,0,1,0,0|2,0,0]=4 1041 B7R1.14 O=S1(=O)CCCO1 SC-17901 [0,1,0,1,0,0|2,0,0]=4 1042 B7R1.26 CC(C)(N)C1CC1 SC-A2814 [0,1,0,1,0,0|1,0,1]=4 1043 B7R1.26 NS(=O)(=O)C1CC1 SC-25360 [0,1,0,1,0,0|2,0,0]=4 1044 B7R2.13 C1CC2CC2N1 SC-A3242 [0,0,0,2,0,0|1,0,1]=4 1045 B7R2.13 C1CC2OC2C1 SC-15327 [0,0,0,2,0,0|0,0,2]=4 1046 B7R2.5 NC12CC(C1)C2 SC-15001 [0,0,0,2,0,0|1,0,1]=4 1047 B7R2.5 NC12CC(C1)C2 SC-86197 [0,0,0,2,0,0|1,0,1]=4