0 B5R0.1 CC(=O)NCO 11062 [0,0,0,0,0,0|2,1,0]=3 1 B5R0.1 CC(=O)\C=N\O 13359 [0,0,0,0,0,0|2,1,0]=3 2 B5R0.1 CC(=O)\C=N\O 31878 [0,0,0,0,0,0|2,1,0]=3 3 B5R0.1 CC(Br)CCBr 3866 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(C)=CC=O 3075 [0,0,0,0,0,0|0,1,1]=2 5 B5R0.1 CC(C)=CCBr 35170 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.1 CC(C)CCI 3950 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(C)CNN 18739 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 CC(C)N=C=S 16501 [0,0,0,0,0,0|1,0,3]=4 9 B5R0.1 CC(N)CCO 29198 [0,0,0,0,0,0|1,1,2]=4 10 B5R0.1 CCCC(=N)N 16315 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CCCC(=O)Cl 13241 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CCCC(C)N 26317 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CCC[C@@H](C)O 6721 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 CCC[C@H](C)O 6719 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 CCNC(C)C 10283 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 CCOC(=S)[S-] 36079 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.1 CCOC(C)=N 2020 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 CCSC(C)=S 12459 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 CN(C)CC=O 26115 [0,0,0,0,0,0|1,1,2]=4 20 B5R0.1 CN(C)CCS 35662 [0,0,0,0,0,0|1,0,1]=2 21 B5R0.1 C[C@@H](O)CCO 6724 [0,0,0,0,0,0|1,1,2]=4 22 B5R0.1 C[C@H](O)CCO 6722 [0,0,0,0,0,0|1,1,2]=4 23 B5R0.1 NCCC(=O)O 10996 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 NCCC(N)=O 18936 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 O=C(Cl)CCBr 31904 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 O=C(Cl)CCCl 13691 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 O=C(O)CCCl 13689 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 O=C(O)CCO 12598 [0,0,0,0,0,0|2,1,1]=4 29 B5R0.1 O=C(O)CCS 36422 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.1 O=C(O)\C=C\Cl 35750 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 O=C(O)\C=C\I 11671 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 C#CC(C)=O 2024 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C=C(C)CCl 20429 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 C=CC(=O)O 21090 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C=CC(N)=O 14147 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CC(=O)CBr 24199 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 CC(C)=CBr 29713 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 CC(C)CI 3951 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 CC(C)NN 26972 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(O)CBr 12555 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CC=C(C)C 2026 [1,0,0,0,0,0|0,0,0]=1 42 B4R0.1 CCC(C)Br 3753 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.1 CCC(C)I 3940 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.1 CCC(C)O 6718 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 CCC([NH-])=O 10938 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CCN(C)C 10322 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 CC[C@@H](C)N 6741 [1,0,0,0,0,0|1,0,2]=4 48 B4R0.1 CC[C@@H](C)O 6717 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.1 CC[C@H](C)N 6743 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.1 CN(C)C=O 23341 [1,0,0,0,0,0|1,1,0]=3 51 B4R0.1 CNC(C)C 10279 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 CNC(N)=S 35584 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 COC(C)=N 2122 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 CSC(=N)N 20041 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 C[C@@H](Cl)CO 8287 [1,0,0,0,0,0|1,1,1]=4 56 B4R0.1 C[C@@H](N)CN 29215 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 C[C@@H](N)CO 9884 [1,0,0,0,0,0|1,1,1]=4 58 B4R0.1 C[C@@H](O)CBr 23955 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 C[C@@H](O)CCl 14071 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 C[C@@H](O)CI 23956 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 C[C@@H](O)CN 5721 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 C[C@@H](O)CO 5857 [1,0,0,0,0,0|1,1,1]=4 63 B4R0.1 C[C@H](Cl)CO 8285 [1,0,0,0,0,0|1,1,1]=4 64 B4R0.1 C[C@H](N)CN 15232 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 C[C@H](N)CO 5710 [1,0,0,0,0,0|1,1,1]=4 66 B4R0.1 C[C@H](O)CBr 20478 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 C[C@H](O)CCl 14072 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 C[C@H](O)CN 5720 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 C[C@H](O)CO 5853 [1,0,0,0,0,0|1,1,1]=4 70 B4R0.1 C\C(N)=N\O 31948 [1,0,0,0,0,0|2,1,0]=4 71 B4R0.1 C\C=C(/C)Br 29073 [1,0,0,0,0,0|1,0,0]=2 72 B4R0.1 N=C(N)CCl 20222 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 NC(=O)CBr 31995 [1,0,0,0,0,0|3,0,0]=4 74 B4R0.1 NC(=O)CI 12542 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.1 NCC(=O)O 18924 [1,0,0,0,0,0|3,0,0]=4 76 B4R0.1 NCC(=O)[O-] 26210 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.1 NCC(=O)[O-] 9921 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 NCC(N)=O 13019 [1,0,0,0,0,0|3,0,0]=4 79 B4R0.1 O=C(Cl)CBr 24880 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.1 O=C(O)CBr 13144 [1,0,0,0,0,0|3,0,0]=4 81 B4R0.1 O=CC(=O)O 19965 [1,0,0,0,0,0|2,1,0]=4 82 B4R0.1 [C-]#[N+]C(C)C 29396 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.2 C=CCCN 10268 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.2 C=CCCN 36002 [1,0,0,0,0,0|1,0,2]=4 85 B4R0.2 C=CCCO 18909 [1,0,0,0,0,0|0,1,2]=4 86 B4R0.2 C=COCC 18645 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.2 CC#CCO 13061 [1,0,0,0,0,0|0,1,2]=4 88 B4R0.2 CCCCBr 3752 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.2 CCCCI 3939 [1,0,0,0,0,0|1,0,2]=4 90 B4R0.2 CCNCC 14036 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.2 CCNCC 17237 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.2 CCOCCl 18683 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.2 CC[B+]CC 26091 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 CNCCCl 35179 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 CNCCN 4020 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.2 COCCBr 2138 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.2 COCCCl 1911 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.2 COCCO 35138 [1,0,0,0,0,0|1,1,1]=4 99 B4R0.2 CSCCCl 35891 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.2 CSCCN 19131 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.2 CSCCO 10846 [1,0,0,0,0,0|1,1,1]=4 102 B4R0.2 C\C=C\CC 19602 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.2 C\C=C\CO 21075 [1,0,0,0,0,0|0,1,0]=2 104 B6R0.1 CCC(C)CCO 35939 [0,1,0,0,0,0|0,1,2]=4 105 B6R0.1 CCOC(=N)CCl 44863 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.1 CCOC(=O)CF 23757 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.1 CCOC(=O)CN 10926 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.1 CC\C=C(/C)C=O 36081 [0,1,0,0,0,0|1,0,1]=3 109 B6R0.1 COC(=O)CCBr 19970 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.1 COC(=O)CCN 10900 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.1 COC(=O)\C=C\F 12658 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.1 COC(=O)\C=C\I 11669 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.1 COC(C)CCO 35942 [0,1,0,0,0,0|0,1,2]=4 114 B6R0.1 C[C@H](CO)CCO 30370 [0,1,0,0,0,0|0,1,2]=4 115 B6R0.1 O=C(CBr)CCBr 35308 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.2 CC(=O)\C=C(/C)N 12810 [0,1,0,0,0,0|1,1,1]=4 117 B6R0.2 CC(C)=CC(=O)Cl 35639 [0,1,0,0,0,0|0,1,1]=3 118 B6R0.2 CC(C)=CC(=O)O 21295 [0,1,0,0,0,0|0,1,1]=3 119 B6R0.2 CC(C)[NH2+]C(C)C 30286 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.2 CC(N)CN(C)C 21318 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.2 C[C@H](N)CN(C)C 31826 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.3 CC(C)C(=O)CBr 35792 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.3 CC(C)[C@@H](N)CO 5789 [0,1,0,0,0,0|0,1,2]=4 124 B6R0.3 CC(C)[C@H](N)CO 5790 [0,1,0,0,0,0|0,1,2]=4 125 B6R0.3 CCC(=O)C(=O)O 24837 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.3 CCC(=O)C(=O)[O-] 17406 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.3 CN(C)C(=O)CBr 35884 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.3 CN(C)C(=O)CCl 35615 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.3 CN(C)C(=O)CN 22320 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.3 COC(=O)C(C)=O 35415 [0,1,0,0,0,0|3,0,0]=4 131 B6R0.3 NC(CS)C(=O)O 12372 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.3 N[C@@H](CS)C(=O)O 19006 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.3 N[C@@H](CS)C(=O)O 19010 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.3 N[C@@H](CS)C(=O)O 23844 [0,1,0,0,0,0|2,0,1]=4 135 B6R0.3 N[C@H](CS)C(=O)O 12314 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.3 N[C@H](CS)C(=O)O 16838 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.3 N[C@H](CS)C(=O)O 23177 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.3 N[C@H](CS)C(=O)O 29024 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.4 C=C(C)CNCC 10272 [0,1,0,0,0,0|1,0,2]=4 140 B6R0.4 CC(=O)CCCCl 17207 [0,1,0,0,0,0|2,0,1]=4 141 B6R0.4 CC(=O)NCCN 19141 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.4 CC(=O)OCCBr 19081 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.4 CC(C)NCCN 8612 [0,1,0,0,0,0|1,0,2]=4 144 B6R0.4 CC\C=C\C(C)=O 32068 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.4 CN(C)CCCCl 20698 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.4 CN(C)\C=C\C#N 30450 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.4 CNCCC(C)C 16229 [0,1,0,0,0,0|1,0,2]=4 148 B6R0.4 CO\C=C\C(C)=O 28206 [0,1,0,0,0,0|1,1,1]=4 149 B6R0.4 O=C(O)CCCS 36247 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.5 CC(C)(C)CCO 3096 [0,1,0,0,0,0|0,1,2]=4 151 B6R0.5 C[N+](C)(C)CCO 26426 [0,1,0,0,0,0|1,1,1]=4 152 B6R0.5 C[Si](C)(C)CCO 2617 [0,1,0,0,0,0|0,2,1]=4 153 B6R1.2 BrC1=CCCC1 29715 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.2 BrC1=CSC=C1 5306 [0,0,0,1,0,0|1,0,2]=4 155 B6R1.2 BrC1=CSN=C1 12057 [0,0,0,1,0,0|2,0,1]=4 156 B6R1.2 BrC1=NSC=C1 12058 [0,0,0,1,0,0|2,0,1]=4 157 B6R1.2 CC1=CC=CO1 11230 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.2 CC1=CC=CS1 5204 [0,0,0,1,0,0|2,0,1]=4 159 B6R1.2 CC1=CC=NN1 10442 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.2 CC1=CC=NO1 8634 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.2 CC1=CC=NS1 45145 [0,0,0,1,0,0|2,0,1]=4 162 B6R1.2 CC1=CNC=C1 13921 [0,0,0,1,0,0|1,0,2]=4 163 B6R1.2 CC1=CNC=N1 7153 [0,0,0,1,0,0|3,0,0]=4 164 B6R1.2 CC1=CNN=C1 13055 [0,0,0,1,0,0|2,0,1]=4 165 B6R1.2 CC1=COC=C1 19993 [0,0,0,1,0,0|0,1,2]=4 166 B6R1.2 CC1=COC=N1 23604 [0,0,0,1,0,0|3,0,0]=4 167 B6R1.2 CC1=CON=C1 24245 [0,0,0,1,0,0|1,1,1]=4 168 B6R1.2 CC1=CSC=C1 5565 [0,0,0,1,0,0|0,0,2]=3 169 B6R1.2 CC1=CSC=N1 23683 [0,0,0,1,0,0|1,0,2]=4 170 B6R1.2 CC1=NCCC1 9412 [0,0,0,1,0,0|2,0,0]=3 171 B6R1.2 CC1=NCCN1 10179 [0,0,0,1,0,0|3,0,0]=4 172 B6R1.2 CC1=NNC=C1 13253 [0,0,0,1,0,0|2,0,1]=4 173 B6R1.2 CC1CCCN1 11112 [0,0,0,1,0,0|2,0,1]=4 174 B6R1.2 CC1CCCN1 9410 [0,0,0,1,0,0|2,0,1]=4 175 B6R1.2 CC1CCCO1 10841 [0,0,0,1,0,0|2,0,1]=4 176 B6R1.2 CC1CCCS1 12832 [0,0,0,1,0,0|2,0,1]=4 177 B6R1.2 CC1CCNC1 19859 [0,0,0,1,0,0|1,0,2]=4 178 B6R1.2 CN1CCCC1 11143 [0,0,0,1,0,0|2,0,1]=4 179 B6R1.2 C[C@@H]1CCCN1 11117 [0,0,0,1,0,0|2,0,1]=4 180 B6R1.2 C[C@@H]1CCCN1 15593 [0,0,0,1,0,0|2,0,1]=4 181 B6R1.2 C[C@H]1CCCN1 11115 [0,0,0,1,0,0|2,0,1]=4 182 B6R1.2 C[C@H]1CCCN1 15594 [0,0,0,1,0,0|2,0,1]=4 183 B6R1.2 ClC1=CSC=C1 5477 [0,0,0,1,0,0|1,0,2]=4 184 B6R1.2 IC1=CSC=C1 16213 [0,0,0,1,0,0|1,0,2]=4 185 B6R1.2 NC1=CSC=C1 14847 [0,0,0,1,0,0|1,0,2]=4 186 B6R1.2 NC1=CSC=C1 25687 [0,0,0,1,0,0|1,0,2]=4 187 B6R1.2 NC1=NCCC1 32058 [0,0,0,1,0,0|3,0,0]=4 188 B6R1.2 O=C1C=CCC1 9803 [0,0,0,1,0,0|2,0,1]=4 189 B6R1.2 O=C1C=CSN1 20292 [0,0,0,1,0,0|2,0,1]=4 190 B6R1.2 O=C1CCCC1 30304 [0,0,0,1,0,0|2,0,1]=4 191 B6R1.2 O=C1CCCN1 19110 [0,0,0,1,0,0|3,0,0]=4 192 B6R1.2 O=C1CCNC1 21931 [0,0,0,1,0,0|2,0,1]=4 193 B6R1.2 O=C1CCOC1 15127 [0,0,0,1,0,0|1,1,1]=4 194 B6R1.2 O=C1CCSC1 5575 [0,0,0,1,0,0|1,0,1]=3 195 B6R1.2 O=C1CNCN1 23395 [0,0,0,1,0,0|3,0,0]=4 196 B6R1.2 S=C1CCCN1 20272 [0,0,0,1,0,0|3,0,0]=4 197 B6R1.3 NCCN1CC1 14229 [0,0,0,1,0,0|2,0,1]=4 198 B6R1.3 OCCC1CC1 28819 [0,0,0,1,0,0|0,1,2]=4 199 B6R1.5 NC1CC(=O)C1 16442 [0,0,0,1,0,0|2,0,1]=4 200 B6R1.11 CC(=O)C1CC1 16205 [0,0,0,1,0,0|2,0,1]=4 201 B3R0.1 C=CC=O 23303 [2,0,0,0,0,0|0,1,1]=4 202 B3R0.1 C=CCCl 35025 [2,0,0,0,0,0|1,0,0]=3 203 B3R0.1 C=CCI 12655 [2,0,0,0,0,0|1,0,0]=3 204 B3R0.1 C=CCN 19133 [2,0,0,0,0,0|1,0,0]=3 205 B3R0.1 CCCI 3977 [2,0,0,0,0,0|1,0,1]=4 206 B3R0.1 CCC[S-] 35319 [2,0,0,0,0,0|0,0,2]=4 207 B3R0.1 CCNC 10275 [2,0,0,0,0,0|1,0,1]=4 208 B3R0.1 CNC=O 35283 [2,0,0,0,0,0|1,1,0]=4 209 B3R0.1 CNOC 25934 [2,0,0,0,0,0|2,0,0]=4 210 B3R0.1 COCBr 23167 [2,0,0,0,0,0|2,0,0]=4 211 B3R0.1 CSSC 9665 [2,0,0,0,0,0|2,0,0]=4 212 B3R0.1 SCCS 12844 [2,0,0,0,0,0|1,0,1]=4 213 B3R0.2 C=C(C)Br 27228 [2,0,0,0,0,0|1,0,0]=3 214 B3R0.2 CC(=O)Cl 17265 [2,0,0,0,0,0|1,1,0]=4 215 B3R0.2 CC(=O)O 22173 [2,0,0,0,0,0|1,1,0]=4 216 B3R0.2 CC(=O)[O-] 10966 [2,0,0,0,0,0|1,1,0]=4 217 B3R0.2 CC(=O)[O-] 18178 [2,0,0,0,0,0|1,1,0]=4 218 B3R0.2 CC(=O)[O-] 26340 [2,0,0,0,0,0|1,1,0]=4 219 B3R0.2 CC(=O)[O-] 3997 [2,0,0,0,0,0|1,1,0]=4 220 B3R0.2 CC(C)Br 18655 [2,0,0,0,0,0|1,0,1]=4 221 B3R0.2 CC(C)I 21400 [2,0,0,0,0,0|1,0,1]=4 222 B3R0.2 CC(O)=S 28961 [2,0,0,0,0,0|1,0,1]=4 223 B3R0.2 CC([O-])=S 25455 [2,0,0,0,0,0|1,0,1]=4 224 B3R0.2 CN(C)C 18299 [2,0,0,0,0,0|1,0,0]=3 225 B3R0.2 CP(C)C 20413 [2,0,0,0,0,0|1,0,0]=3 226 B3R0.2 CS(C)=O 44865 [2,0,0,0,0,0|1,1,0]=4 227 B3R0.2 C[PH](C)=O 29395 [2,0,0,0,0,0|1,1,0]=4 228 B3R0.2 C[S+](C)C 44700 [2,0,0,0,0,0|1,0,0]=3 229 B5R0.3 C=CC(=O)CBr 13741 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.3 C=CC(=O)CO 32353 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.3 CC[C@H](C)CN 16256 [1,1,0,0,0,0|0,0,2]=4 232 B5R0.3 COC(=O)CN 10899 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.3 COC(=O)CS 10788 [1,1,0,0,0,0|1,0,0]=3 234 B5R0.3 CO[C@@H](C)CN 17733 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.3 CO[C@@H](C)CN 17747 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.3 CO[C@@H](C)CO 26646 [1,1,0,0,0,0|0,1,1]=4 237 B5R0.3 CO[C@H](C)CN 17734 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.3 CO[C@H](C)CN 17748 [1,1,0,0,0,0|1,0,1]=4 239 B5R0.3 O=C(CO)CO 4053 [1,1,0,0,0,0|1,1,0]=4 240 B5R0.4 C=CC(C)(C)O 36012 [1,1,0,0,0,0|0,0,2]=4 241 B5R0.4 C=C[N+](C)(C)C 13126 [1,1,0,0,0,0|1,0,1]=4 242 B5R0.4 C=C[Si](C)(C)C 17258 [1,1,0,0,0,0|0,1,1]=4 243 B5R0.4 CC(C)(C)C=O 1910 [1,1,0,0,0,0|0,1,1]=4 244 B5R0.4 CC(C)(C)CN 28998 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.4 CC(C)(N)CN 28209 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.4 CC(C)(N)CO 2208 [1,1,0,0,0,0|0,1,1]=4 247 B5R0.4 CC(C)(O)CCl 3675 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.4 CC(C)(O)CN 32121 [1,1,0,0,0,0|1,0,1]=4 249 B5R0.4 CC(C)(S)CN 28945 [1,1,0,0,0,0|1,0,1]=4 250 B5R0.4 CCC(C)(C)O 21405 [1,1,0,0,0,0|0,0,2]=4 251 B5R0.4 C[Si](C)(C)CBr 13669 [1,1,0,0,0,0|1,1,0]=4 252 B5R0.4 C[Si](C)(C)CCl 13668 [1,1,0,0,0,0|1,1,0]=4 253 B5R0.4 C[Si](C)(Cl)CCl 13667 [1,1,0,0,0,0|1,1,0]=4 254 B5R0.4 [Li]C[Si](C)(C)C 18144 [1,1,0,0,0,0|1,1,0]=4 255 B5R0.5 C=C(C)C(=C)C 36156 [1,1,0,0,0,0|0,0,1]=3 256 B5R0.5 C=C(C)C(=O)Cl 45061 [1,1,0,0,0,0|0,1,1]=4 257 B5R0.5 C=C(C)C(=O)[O-] 13118 [1,1,0,0,0,0|0,1,1]=4 258 B5R0.5 C=C(C)C(=O)[O-] 13119 [1,1,0,0,0,0|0,1,1]=4 259 B5R0.5 C=C(C)C(=O)[O-] 21062 [1,1,0,0,0,0|0,1,1]=4 260 B5R0.5 C=C(C)C(=O)[O-] 21065 [1,1,0,0,0,0|0,1,1]=4 261 B5R0.5 CC(=O)C(=O)O 18177 [1,1,0,0,0,0|1,1,0]=4 262 B5R0.5 CC(=O)C(C)Br 12679 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.5 CC(C)C(=O)Cl 18648 [1,1,0,0,0,0|0,1,1]=4 264 B5R0.5 CC(C)C(C)O 32297 [1,1,0,0,0,0|0,0,2]=4 265 B5R0.5 CC(C)C(N)=O 21345 [1,1,0,0,0,0|0,1,1]=4 266 B5R0.5 CN(C)C(=N)N 19198 [1,1,0,0,0,0|2,0,0]=4 267 B5R0.5 CN(C)C(=O)Cl 29326 [1,1,0,0,0,0|1,1,0]=4 268 B5R0.5 CN(C)C(=S)Cl 35206 [1,1,0,0,0,0|1,0,1]=4 269 B5R0.5 C[N+](C)=C(Cl)Cl 32209 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.2 BrC\C=C\CBr 9987 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.2 CO\C=C\C#N 24705 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.2 ClC\C=C\CCl 18743 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.2 ClC\C=C\CCl 29077 [1,1,0,0,0,0|1,0,0]=3 274 B5R0.2 NC\C=C\CCl 25442 [1,1,0,0,0,0|1,0,0]=3 275 B5R0.2 OC\C=C\CCl 29079 [1,1,0,0,0,0|0,1,0]=3 276 B5R0.2 OC\C=C\CO 13982 [1,1,0,0,0,0|0,1,0]=3 277 B5R0.2 O\C=C\CCO 35113 [1,1,0,0,0,0|1,1,0]=4 278 B7R0.2 CC(C)NC(=O)CBr 17628 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.2 CCC(=O)CC(C)=O 24813 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.2 CC\C(C)=C\C(=O)O 13986 [0,2,0,0,0,0|0,1,1]=4 281 B7R0.2 CN\C(C)=C\C(C)=O 12814 [0,2,0,0,0,0|0,1,1]=4 282 B7R0.2 COC(=O)C=C(C)C 35911 [0,2,0,0,0,0|0,1,1]=4 283 B7R0.3 COC(=O)\C=C\CBr 26000 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.3 COC(=O)\C=C\CBr 26406 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.10 C=C(CBr)C(=O)OC 17371 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.10 C=C(CCl)C(=O)OC 17372 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.10 C=C(CO)C(=O)OC 17373 [0,2,0,0,0,0|1,1,0]=4 288 B7R0.10 COC(=O)[C@@H](N)CS 10881 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.10 CON(C)C(=O)CCl 18657 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.10 OC\C(Br)=C(/Br)CO 22015 [0,2,0,0,0,0|1,1,0]=4 291 B7R0.16 CC(=O)C(=O)C(C)Br 32080 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.4 CC(=O)O\C=C\CBr 28187 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.4 CCC\C=C\C(C)=O 18920 [0,2,0,0,0,0|2,0,0]=4 294 B5R1.2 O=C1CCC1 9021 [1,0,0,1,0,0|1,0,1]=4 295 B5R1.2 O=C1CCO1 2546 [1,0,0,1,0,0|2,0,0]=4 296 B5R1.2 O=C1COC1 15880 [1,0,0,1,0,0|1,1,0]=4 297 B5R1.2 O=C1CSC1 25389 [1,0,0,1,0,0|1,0,0]=3 298 B5R1.3 BrCC1CC1 13771 [1,0,0,1,0,0|1,0,1]=4 299 B5R1.3 ClCC1CC1 10983 [1,0,0,1,0,0|1,0,1]=4 300 B5R1.3 O=CC1CC1 12460 [1,0,0,1,0,0|0,1,1]=4 301 B5R1.3 OCC1CC1 9773 [1,0,0,1,0,0|0,1,1]=4 302 B5R1.5 CC1(C)CO1 12772 [1,0,0,1,0,0|0,1,1]=4 303 B5R1.1 C1=CCNC1 18771 [1,0,0,1,0,0|1,0,0]=3 304 B5R1.1 C1=CCNC1 29078 [1,0,0,1,0,0|1,0,0]=3 305 B5R1.1 C1=CCOC1 3987 [1,0,0,1,0,0|0,1,0]=3 306 B5R1.1 C1=COCC1 12854 [1,0,0,1,0,0|2,0,0]=4 307 B5R1.1 C1=CSC=C1 26881 [1,0,0,1,0,0|0,0,2]=4 308 B5R1.1 C1=CSN=C1 24709 [1,0,0,1,0,0|1,0,1]=4 309 B5R1.1 C1CSCN1 35964 [1,0,0,1,0,0|1,0,1]=4 310 B5R1.1 C1CSCN1 36265 [1,0,0,1,0,0|1,0,1]=4 311 B7R1.1 BrCC1=CSC=C1 5295 [0,1,0,1,0,0|0,0,2]=4 312 B7R1.1 COC1=CSC=C1 8863 [0,1,0,1,0,0|0,0,2]=4 313 B7R1.1 NCC1=CSC=C1 12348 [0,1,0,1,0,0|0,0,2]=4 314 B7R1.1 OCC1=CSC=C1 8860 [0,1,0,1,0,0|0,0,2]=4 315 B7R1.2 CC1=CC(=O)CC1 25608 [0,1,0,1,0,0|0,1,1]=4 316 B7R1.2 CC1=CCC(=O)O1 16859 [0,1,0,1,0,0|1,1,0]=4 317 B7R1.2 CC1=NSC(Br)=C1 22268 [0,1,0,1,0,0|1,0,1]=4 318 B7R1.2 CC1=NSC(N)=C1 9737 [0,1,0,1,0,0|1,0,1]=4 319 B7R1.2 O=C1C=CC(O)C1 27265 [0,1,0,1,0,0|1,1,0]=4 320 B7R1.2 O=C1C[C@@H](S)CN1 26289 [0,1,0,1,0,0|1,0,1]=4 321 B7R1.3 BrC1=CCCCC1 29716 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.3 O=C1CCSCC1 18603 [0,1,0,1,0,0|1,0,1]=4 323 B7R1.4 BrC1=C(Br)CCC1 13714 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.4 CC1=C(Br)SC=C1 5191 [0,1,0,1,0,0|0,0,2]=4 325 B7R1.4 CC1=C(C)SC=C1 7751 [0,1,0,1,0,0|0,0,1]=3 326 B7R1.4 CC1=C(C)SC=N1 9938 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.4 CC1=C(Cl)SC=C1 5164 [0,1,0,1,0,0|0,0,2]=4 328 B7R1.4 CC1=CC=NN1C 9121 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.4 CC1=CNN=C1C 36259 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.4 CC1=COC=C1C 15014 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.4 CC1=CSC=C1Br 21832 [0,1,0,1,0,0|0,0,2]=4 332 B7R1.4 CN1CCCC1=O 17618 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.6 O=CC=C1COC1 26683 [0,1,0,1,0,0|0,1,1]=4 334 B7R1.22 O=C(CBr)C1CC1 21100 [0,1,0,1,0,0|1,0,1]=4