0 B4R0.1 C#CC(=O)O SC-46968 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C#CC(C)N SC-52789 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C#CC(C)N SC-A2988 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C#CC(C)O SC-26644 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.1 C=C(Br)CBr SC-46621 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 C=C(C)C=O SC-83411 [0,0,0,0,0,0|1,0,3]=4 6 B4R0.1 C=C(C)CBr SC-50158 [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 C=C(C)CF SC-89300 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C=C(C)CN SC-43404 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 C=C(C)CN SC-84159 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 C=CC(C)O SC-43661 [0,0,0,0,0,0|1,0,1]=2 11 B4R0.1 C=C[C@H](C)N SC-67439 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(=O)C#N SC-51001 [0,0,0,0,0,0|1,0,3]=4 13 B4R0.1 CC(=O)C=O SC-74380 [0,0,0,0,0,0|0,0,4]=4 14 B4R0.1 CC(=O)CBr SC-20936 [0,0,0,0,0,0|1,0,2]=3 15 B4R0.1 CC(=O)CN SC-28532 [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 CC(=O)CN SC-89750 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 CC(=O)NO SC-18498 [0,0,0,0,0,0|1,0,2]=3 18 B4R0.1 CC(Br)C#N SC-48220 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 CC(Br)CO SC-A3571 [0,0,0,0,0,0|1,0,0]=1 20 B4R0.1 CC(C)=CBr SC-52196 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 CC(C)=NN SC-92874 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 CC(C)=NO SC-25907 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 CC(C)NN SC-21077 [0,0,0,0,0,0|3,0,0]=3 24 B4R0.1 CC(C)NN SC-73657 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 CC(C)NO SC-A3794 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 CC(C)ON SC-87607 [0,0,0,0,0,0|3,0,0]=3 27 B4R0.1 CC(Cl)C#N SC-53702 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 CC(N)C#N SC-92053 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 CC(N)CO SC-18397 [0,0,0,0,0,0|1,0,0]=1 30 B4R0.1 CC(S)CS SC-A2768 [0,0,0,0,0,0|0,2,0]=2 31 B4R0.1 CCB(O)O SC-04516 [0,0,0,0,0,0|3,0,0]=3 32 B4R0.1 CCC(=N)N SC-53846 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 CCC(=O)O SC-22887 [0,0,0,0,0,0|2,0,1]=3 34 B4R0.1 CCC(=O)[O-] SC-47286 [0,0,0,0,0,0|2,0,2]=4 35 B4R0.1 CCC(C)O SC-01234 [0,0,0,0,0,0|1,0,0]=1 36 B4R0.1 CCC(N)=O SC-18213 [0,0,0,0,0,0|2,0,2]=4 37 B4R0.1 CCS(=O)[O-] SC-20356 [0,0,0,0,0,0|3,0,1]=4 38 B4R0.1 CC[C@H](C)N SC-81828 [0,0,0,0,0,0|2,0,0]=2 39 B4R0.1 CC[C@H](C)O SC-04418 [0,0,0,0,0,0|1,0,0]=1 40 B4R0.1 CNC(C)C SC-04732 [0,0,0,0,0,0|3,0,0]=3 41 B4R0.1 CNN(C)C SC-41461 [0,0,0,0,0,0|4,0,0]=4 42 B4R0.1 COC(Cl)Cl SC-04782 [0,0,0,0,0,0|4,0,0]=4 43 B4R0.1 C[C@@H](N)CN SC-08946 [0,0,0,0,0,0|2,0,0]=2 44 B4R0.1 C[C@@H](N)CO SC-03772 [0,0,0,0,0,0|1,0,0]=1 45 B4R0.1 C[C@@H](O)CN SC-03087 [0,0,0,0,0,0|1,0,0]=1 46 B4R0.1 C[C@@H](O)CO SC-04433 [0,0,0,0,0,0|0,0,0]=0 47 B4R0.1 C[C@H](Cl)CO SC-98590 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.1 C[C@H](N)CN SC-08947 [0,0,0,0,0,0|2,0,0]=2 49 B4R0.1 C[C@H](N)CO SC-03066 [0,0,0,0,0,0|1,0,0]=1 50 B4R0.1 C[C@H](O)CCl SC-99597 [0,0,0,0,0,0|1,0,0]=1 51 B4R0.1 C[C@H](O)CN SC-03088 [0,0,0,0,0,0|1,0,0]=1 52 B4R0.1 C[C@H](O)CO SC-04434 [0,0,0,0,0,0|0,0,0]=0 53 B4R0.1 C\C(N)=N\O SC-29589 [0,0,0,0,0,0|2,0,1]=3 54 B4R0.1 C\C=C(\C)Br SC-91379 [0,0,0,0,0,0|2,0,2]=4 55 B4R0.1 FC(F)CBr SC-21856 [0,0,0,0,0,0|3,0,0]=3 56 B4R0.1 FC(F)CI SC-82530 [0,0,0,0,0,0|3,0,0]=3 57 B4R0.1 N#CC(Cl)Cl SC-46671 [0,0,0,0,0,0|3,0,1]=4 58 B4R0.1 N=C(N)CCl SC-69732 [0,0,0,0,0,0|3,0,1]=4 59 B4R0.1 N=C(N)CO SC-41719 [0,0,0,0,0,0|2,0,1]=3 60 B4R0.1 N=C(N)CO SC-50460 [0,0,0,0,0,0|2,0,1]=3 61 B4R0.1 NC(=O)CBr SC-17752 [0,0,0,0,0,0|2,0,2]=4 62 B4R0.1 NC(=O)CI SC-18913 [0,0,0,0,0,0|2,0,2]=4 63 B4R0.1 NC(=O)NO SC-17803 [0,0,0,0,0,0|2,0,2]=4 64 B4R0.1 NCC(=O)O SC-26884 [0,0,0,0,0,0|2,0,1]=3 65 B4R0.1 NCC(F)F SC-43926 [0,0,0,0,0,0|3,0,0]=3 66 B4R0.1 NCC(N)=O SC-09567 [0,0,0,0,0,0|2,0,2]=4 67 B4R0.1 NCC(N)=O SC-18427 [0,0,0,0,0,0|2,0,2]=4 68 B4R0.1 O=C(Br)CBr SC-18428 [0,0,0,0,0,0|2,0,2]=4 69 B4R0.1 O=C(Cl)CBr SC-49267 [0,0,0,0,0,0|2,0,2]=4 70 B4R0.1 O=C(O)CBr SC-18211 [0,0,0,0,0,0|2,0,1]=3 71 B4R0.1 O=C(O)CO SC-23119 [0,0,0,0,0,0|1,0,1]=2 72 B4R0.1 O=C(O)CO SC-26092 [0,0,0,0,0,0|1,0,1]=2 73 B4R0.1 O=C([O-])CI SC-80290 [0,0,0,0,0,0|2,0,2]=4 74 B4R0.1 O=CC(=O)O SC-25819 [0,0,0,0,0,0|1,0,3]=4 75 B4R0.1 OCC(F)F SC-16815 [0,0,0,0,0,0|2,0,0]=2 76 B4R0.1 ON=C(Br)Br SC-48802 [0,0,0,0,0,0|3,0,1]=4 77 B4R0.1 [C@@H](C)(O)C#C SC-47963 [0,0,0,0,0,0|1,0,1]=2 78 B4R0.1 [C@H](C)(O)C#C SC-47962 [0,0,0,0,0,0|1,0,1]=2 79 B3R0.1 C=CCN SC-13610 [1,0,0,0,0,0|1,0,2]=4 80 B3R0.1 C=C[CH-]C SC-90438 [1,0,0,0,0,0|1,0,2]=4 81 B3R0.1 CCC[Zn+] SC-92929 [1,0,0,0,0,0|1,0,0]=2 82 B3R0.1 CCNN SC-47438 [1,0,0,0,0,0|2,0,0]=3 83 B3R0.1 CCNN SC-88458 [1,0,0,0,0,0|2,0,0]=3 84 B3R0.1 CCNO SC-82856 [1,0,0,0,0,0|1,0,0]=2 85 B3R0.1 CCO[NH3+] SC-76549 [1,0,0,0,0,0|2,0,0]=3 86 B3R0.1 CN=C=S SC-27104 [1,0,0,0,0,0|1,1,1]=4 87 B3R0.1 CNNC SC-92981 [1,0,0,0,0,0|3,0,0]=4 88 B3R0.1 CNOC SC-17494 [1,0,0,0,0,0|3,0,0]=4 89 B3R0.1 CNOC SC-74340 [1,0,0,0,0,0|3,0,0]=4 90 B3R0.1 COCBr SC-13660 [1,0,0,0,0,0|2,0,0]=3 91 B3R0.1 C\C=C\Br SC-50117 [1,0,0,0,0,0|1,0,2]=4 92 B3R0.1 C\C=N\O SC-16388 [1,0,0,0,0,0|1,0,1]=3 93 B3R0.1 ClCCBr SC-16459 [1,0,0,0,0,0|2,0,0]=3 94 B3R0.1 ClCCI SC-93145 [1,0,0,0,0,0|2,0,0]=3 95 B3R0.1 FCCBr SC-16577 [1,0,0,0,0,0|2,0,0]=3 96 B3R0.1 N#CCN SC-16069 [1,0,0,0,0,0|2,0,1]=4 97 B3R0.1 N#CCN SC-46133 [1,0,0,0,0,0|2,0,1]=4 98 B3R0.1 NCCBr SC-11569 [1,0,0,0,0,0|2,0,0]=3 99 B3R0.1 NCCCl SC-15450 [1,0,0,0,0,0|2,0,0]=3 100 B3R0.1 NCCCl SC-40145 [1,0,0,0,0,0|2,0,0]=3 101 B3R0.1 NCCF SC-66629 [1,0,0,0,0,0|2,0,0]=3 102 B3R0.1 NCCF SC-89351 [1,0,0,0,0,0|2,0,0]=3 103 B3R0.1 OCCBr SC-26949 [1,0,0,0,0,0|1,0,0]=2 104 B3R0.1 OCCF SC-22570 [1,0,0,0,0,0|1,0,0]=2 105 B3R0.1 OCCI SC-46883 [1,0,0,0,0,0|1,0,0]=2 106 B3R0.1 OCCO SC-A3578 [1,0,0,0,0,0|0,0,0]=1 107 B3R0.1 SCCS SC-27058 [1,0,0,0,0,0|0,2,0]=3 108 B3R0.2 C=C(C)[Mg+] SC-70280 [1,0,0,0,0,0|1,0,2]=4 109 B3R0.2 CB(O)O SC-00749 [1,0,0,0,0,0|1,0,0]=2 110 B3R0.2 CC(=N)N SC-19002 [1,0,0,0,0,0|2,0,1]=4 111 B3R0.2 CC(=O)O SC-16774 [1,0,0,0,0,0|0,0,2]=3 112 B3R0.2 CC(=O)O SC-27909 [1,0,0,0,0,0|0,0,2]=3 113 B3R0.2 CC(=O)[O-] SC-03583 [1,0,0,0,0,0|0,0,3]=4 114 B3R0.2 CC(=O)[O-] SC-12688 [1,0,0,0,0,0|0,0,3]=4 115 B3R0.2 CC(=O)[O-] SC-18918 [1,0,0,0,0,0|0,0,3]=4 116 B3R0.2 CC(=O)[O-] SC-18995 [1,0,0,0,0,0|0,0,3]=4 117 B3R0.2 CC(=O)[O-] SC-26584 [1,0,0,0,0,0|0,0,3]=4 118 B3R0.2 CC(=O)[O-] SC-46842 [1,0,0,0,0,0|0,0,3]=4 119 B3R0.2 CC(=O)[O-] SC-81401 [1,0,0,0,0,0|0,0,3]=4 120 B3R0.2 CC(=O)[O-] SC-88396 [1,0,0,0,0,0|0,0,3]=4 121 B3R0.2 CC(=O)[O-] SC-93306 [1,0,0,0,0,0|0,0,3]=4 122 B3R0.2 CC(C)[O-] SC-43831 [1,0,0,0,0,0|0,0,1]=2 123 B3R0.2 CC(C)[O-] SC-94197 [1,0,0,0,0,0|0,0,1]=2 124 B3R0.2 CC(N)=O SC-18410 [1,0,0,0,0,0|1,0,2]=4 125 B3R0.2 CC(N)=S SC-17261 [1,0,0,0,0,0|1,1,1]=4 126 B3R0.2 CC([O-])=S SC-15916 [1,0,0,0,0,0|0,1,2]=4 127 B3R0.2 CN(C)C SC-46902 [1,0,0,0,0,0|2,0,0]=3 128 B3R0.2 CS(=O)[O-] SC-19511 [1,0,0,0,0,0|1,0,2]=4 129 B3R0.2 C[PH](C)=O SC-72909 [1,0,0,0,0,0|1,0,1]=3 130 B3R0.2 C[S+](C)C SC-68838 [1,0,0,0,0,0|2,0,0]=3 131 B3R0.2 C[S+](C)C SC-97925 [1,0,0,0,0,0|2,0,0]=3 132 B3R0.2 FC(Br)Br SC-53486 [1,0,0,0,0,0|3,0,0]=4 133 B3R0.2 IC(I)I SC-16447 [1,0,0,0,0,0|3,0,0]=4 134 B3R0.2 O=C(O)O SC-18529 [1,0,0,0,0,0|1,0,1]=3 135 B3R0.2 O=C([O-])O SC-80213 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.1 C#CCC(=O)O SC-40344 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.1 C=C(C)CCBr SC-26305 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.1 C=C(C)OCC SC-18086 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.1 C=CCC(=O)O SC-49093 [0,1,0,0,0,0|2,0,1]=4 140 B5R0.1 CC(=O)CC#N SC-26510 [0,1,0,0,0,0|1,0,2]=4 141 B5R0.1 CC(=O)CCCl SC-21586 [0,1,0,0,0,0|1,0,2]=4 142 B5R0.1 CC(=O)CCO SC-65678 [0,1,0,0,0,0|0,0,2]=3 143 B5R0.1 CC(=O)OCBr SC-44237 [0,1,0,0,0,0|1,0,2]=4 144 B5R0.1 CC(=O)\C=N/O SC-89466 [0,1,0,0,0,0|0,0,3]=4 145 B5R0.1 CC(=O)\C=N\O SC-68143 [0,1,0,0,0,0|0,0,3]=4 146 B5R0.1 CC(C)=CCBr SC-13678 [0,1,0,0,0,0|2,0,1]=4 147 B5R0.1 CC(C)=CCN SC-51952 [0,1,0,0,0,0|2,0,1]=4 148 B5R0.1 CC(C)=CCO SC-77150 [0,1,0,0,0,0|1,0,1]=3 149 B5R0.1 CC(N)CCO SC-82589 [0,1,0,0,0,0|1,0,0]=2 150 B5R0.1 CCCB(O)O SC-47544 [0,1,0,0,0,0|3,0,0]=4 151 B5R0.1 CCCC(C)N SC-53929 [0,1,0,0,0,0|2,0,0]=3 152 B5R0.1 CCCC(C)O SC-03320 [0,1,0,0,0,0|1,0,0]=2 153 B5R0.1 CCNC(C)C SC-84122 [0,1,0,0,0,0|2,0,0]=3 154 B5R0.1 CCOC(C)=N SC-02547 [0,1,0,0,0,0|2,0,1]=4 155 B5R0.1 CCOC(C)=N SC-A3540 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.1 CN(C)CC=O SC-51643 [0,1,0,0,0,0|2,0,1]=4 157 B5R0.1 CN(C)CCBr SC-21756 [0,1,0,0,0,0|3,0,0]=4 158 B5R0.1 CN(C)CCBr SC-27529 [0,1,0,0,0,0|3,0,0]=4 159 B5R0.1 CN(C)CCCl SC-18600 [0,1,0,0,0,0|3,0,0]=4 160 B5R0.1 CN(C)CCCl SC-47184 [0,1,0,0,0,0|3,0,0]=4 161 B5R0.1 CN(C)CCO SC-87330 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.1 CNCC(=O)O SC-10425 [0,1,0,0,0,0|2,0,1]=4 163 B5R0.1 CNCC(F)F SC-34374 [0,1,0,0,0,0|3,0,0]=4 164 B5R0.1 COCC(=N)N SC-41213 [0,1,0,0,0,0|2,0,1]=4 165 B5R0.1 COCC(=N)N SC-73218 [0,1,0,0,0,0|2,0,1]=4 166 B5R0.1 COCC(=O)Cl SC-27381 [0,1,0,0,0,0|1,0,2]=4 167 B5R0.1 COCC(C)N SC-48787 [0,1,0,0,0,0|1,0,0]=2 168 B5R0.1 COCC(C)O SC-00293 [0,1,0,0,0,0|0,0,0]=1 169 B5R0.1 COC[C@@H](C)N SC-47724 [0,1,0,0,0,0|1,0,0]=2 170 B5R0.1 COC[C@@H](C)O SC-04836 [0,1,0,0,0,0|0,0,0]=1 171 B5R0.1 CS(=O)CCN SC-89327 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.1 CSCS(C)=O SC-87090 [0,1,0,0,0,0|1,1,1]=4 173 B5R0.1 C[C@@H](N)CCO SC-48293 [0,1,0,0,0,0|1,0,0]=2 174 B5R0.1 C[C@@H](O)CCO SC-05919 [0,1,0,0,0,0|0,0,0]=1 175 B5R0.1 C[C@H](O)CCO SC-02840 [0,1,0,0,0,0|0,0,0]=1 176 B5R0.1 N#CCC(=O)O SC-18648 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.1 NCCC(=O)O SC-10014 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.1 NCCC(F)F SC-89198 [0,1,0,0,0,0|3,0,0]=4 179 B5R0.1 O=C(O)CCBr SC-18441 [0,1,0,0,0,0|2,0,1]=4 180 B5R0.1 O=C(O)CCS SC-22642 [0,1,0,0,0,0|1,1,1]=4 181 B5R0.3 C#CC(O)CC SC-68723 [0,1,0,0,0,0|1,0,1]=3 182 B5R0.3 C=C(CCl)CCl SC-21050 [0,1,0,0,0,0|2,0,1]=4 183 B5R0.3 C=C(CO)CO SC-17984 [0,1,0,0,0,0|0,0,2]=3 184 B5R0.3 C=CC(Cl)CCl SC-A3373 [0,1,0,0,0,0|2,0,1]=4 185 B5R0.3 C=CC(O)C=C SC-20854 [0,1,0,0,0,0|1,0,2]=4 186 B5R0.3 C=CC(O)CC SC-93539 [0,1,0,0,0,0|1,0,1]=3 187 B5R0.3 C=C[C@H](N)CO SC-88199 [0,1,0,0,0,0|1,0,1]=3 188 B5R0.3 CC(CO)CBr SC-35572 [0,1,0,0,0,0|1,0,0]=2 189 B5R0.3 CCC(C)CO SC-08990 [0,1,0,0,0,0|1,0,0]=2 190 B5R0.3 CCC(N)CC SC-81736 [0,1,0,0,0,0|2,0,0]=3 191 B5R0.3 CCC(N)CO SC-21072 [0,1,0,0,0,0|1,0,0]=2 192 B5R0.3 CCC(O)CC SC-62307 [0,1,0,0,0,0|1,0,0]=2 193 B5R0.3 CC[PH](=O)CC SC-96905 [0,1,0,0,0,0|2,0,1]=4 194 B5R0.3 CC\C(N)=N\O SC-28960 [0,1,0,0,0,0|2,0,1]=4 195 B5R0.3 CNC(=O)CBr SC-27946 [0,1,0,0,0,0|1,0,2]=4 196 B5R0.3 CNC(=O)CN SC-47802 [0,1,0,0,0,0|1,0,2]=4 197 B5R0.3 COC(=O)CBr SC-15855 [0,1,0,0,0,0|1,0,2]=4 198 B5R0.3 COC(=O)CN SC-09571 [0,1,0,0,0,0|1,0,2]=4 199 B5R0.3 COC(=O)CN SC-49390 [0,1,0,0,0,0|1,0,2]=4 200 B5R0.3 COC(=O)CO SC-28291 [0,1,0,0,0,0|0,0,2]=3 201 B5R0.3 COC(=O)CS SC-54102 [0,1,0,0,0,0|0,1,2]=4 202 B5R0.3 COC(C)CN SC-A4864 [0,1,0,0,0,0|1,0,0]=2 203 B5R0.3 CO[C@H](C)CO SC-71357 [0,1,0,0,0,0|0,0,0]=1 204 B5R0.3 N#CC(Br)CBr SC-18603 [0,1,0,0,0,0|2,0,1]=4 205 B5R0.3 NC(CO)CO SC-16669 [0,1,0,0,0,0|1,0,0]=2 206 B5R0.3 NCC(O)CO SC-15511 [0,1,0,0,0,0|0,0,0]=1 207 B5R0.3 NC[C@@H](O)CO SC-06146 [0,1,0,0,0,0|0,0,0]=1 208 B5R0.3 NC[C@H](O)CCl SC-89081 [0,1,0,0,0,0|1,0,0]=2 209 B5R0.3 NNC(=O)CO SC-83204 [0,1,0,0,0,0|1,0,2]=4 210 B5R0.3 O=C(CBr)CBr SC-99341 [0,1,0,0,0,0|1,0,2]=4 211 B5R0.3 O=C(CO)CO SC-07450 [0,1,0,0,0,0|0,0,2]=3 212 B5R0.3 O=CC(O)CO SC-04830 [0,1,0,0,0,0|0,0,1]=2 213 B5R0.3 OCC(Br)CBr SC-75335 [0,1,0,0,0,0|1,0,0]=2 214 B5R0.3 OCC(O)CO SC-13789 [0,1,0,0,0,0|0,0,0]=1 215 B5R0.3 OC[C@@H](O)CCl SC-05423 [0,1,0,0,0,0|0,0,0]=1 216 B5R0.3 [C@H](N)(CC)CO SC-08958 [0,1,0,0,0,0|1,0,0]=2 217 B5R0.3 [C@H](O)(CN)CO SC-05739 [0,1,0,0,0,0|0,0,0]=1 218 B5R0.4 C#CC(C)(C)C SC-22664 [0,1,0,0,0,0|2,0,1]=4 219 B5R0.4 C#CC(C)(C)N SC-16037 [0,1,0,0,0,0|2,0,1]=4 220 B5R0.4 C#CC(C)(C)O SC-26729 [0,1,0,0,0,0|1,0,1]=3 221 B5R0.4 CC(C)(Br)C#N SC-99785 [0,1,0,0,0,0|2,0,1]=4 222 B5R0.4 CC(C)(Br)CBr SC-97871 [0,1,0,0,0,0|2,0,0]=3 223 B5R0.4 CC(C)(C)C#N SC-77544 [0,1,0,0,0,0|2,0,1]=4 224 B5R0.4 CC(C)(C)C=O SC-05938 [0,1,0,0,0,0|1,0,2]=4 225 B5R0.4 CC(C)(C)CBr SC-24158 [0,1,0,0,0,0|2,0,0]=3 226 B5R0.4 CC(C)(C)CCl SC-48963 [0,1,0,0,0,0|2,0,0]=3 227 B5R0.4 CC(C)(C)CN SC-97733 [0,1,0,0,0,0|2,0,0]=3 228 B5R0.4 CC(C)(C)CO SC-27689 [0,1,0,0,0,0|1,0,0]=2 229 B5R0.4 CC(C)(C)NN SC-18273 [0,1,0,0,0,0|3,0,0]=4 230 B5R0.4 CC(C)(C)NO SC-44932 [0,1,0,0,0,0|2,0,0]=3 231 B5R0.4 CC(C)(C)ON SC-05608 [0,1,0,0,0,0|3,0,0]=4 232 B5R0.4 CC(C)(F)CBr SC-84038 [0,1,0,0,0,0|2,0,0]=3 233 B5R0.4 CC(C)(F)CO SC-14344 [0,1,0,0,0,0|1,0,0]=2 234 B5R0.4 CC(C)(N)C#N SC-14060 [0,1,0,0,0,0|2,0,1]=4 235 B5R0.4 CC(C)(N)CF SC-90380 [0,1,0,0,0,0|2,0,0]=3 236 B5R0.4 CC(C)(N)CN SC-47310 [0,1,0,0,0,0|2,0,0]=3 237 B5R0.4 CC(C)(N)CO SC-00654 [0,1,0,0,0,0|1,0,0]=2 238 B5R0.4 CC(C)(O)CBr SC-69889 [0,1,0,0,0,0|1,0,0]=2 239 B5R0.4 CC(C)(O)CCl SC-05342 [0,1,0,0,0,0|1,0,0]=2 240 B5R0.4 CC(C)(O)CN SC-14245 [0,1,0,0,0,0|1,0,0]=2 241 B5R0.4 CC(C)(O)CO SC-93601 [0,1,0,0,0,0|0,0,0]=1 242 B5R0.4 CC(F)(F)CN SC-49451 [0,1,0,0,0,0|2,0,0]=3 243 B5R0.4 CC(F)(F)CN SC-70960 [0,1,0,0,0,0|2,0,0]=3 244 B5R0.4 CC(F)(F)CO SC-21322 [0,1,0,0,0,0|1,0,0]=2 245 B5R0.4 CCC(C)(C)[O-] SC-25920 [0,1,0,0,0,0|1,0,1]=3 246 B5R0.4 CCC(Cl)(Cl)Cl SC-76666 [0,1,0,0,0,0|3,0,0]=4 247 B5R0.4 CCS(=O)(=O)O SC-46368 [0,1,0,0,0,0|3,0,0]=4 248 B5R0.4 C[Si](C)(C)CBr SC-83590 [0,1,0,0,0,0|2,1,0]=4 249 B5R0.4 C[Si](C)(C)CCl SC-17498 [0,1,0,0,0,0|2,1,0]=4 250 B5R0.4 FC(F)(Br)CBr SC-A2696 [0,1,0,0,0,0|3,0,0]=4 251 B5R0.4 FC(F)(F)CBr SC-21875 [0,1,0,0,0,0|3,0,0]=4 252 B5R0.4 FC(F)(F)CI SC-46998 [0,1,0,0,0,0|3,0,0]=4 253 B5R0.4 FC(F)(F)CS SC-21712 [0,1,0,0,0,0|2,1,0]=4 254 B5R0.4 NCC(F)(F)F SC-44099 [0,1,0,0,0,0|3,0,0]=4 255 B5R0.4 NCP(=O)(O)O SC-86885 [0,1,0,0,0,0|3,0,0]=4 256 B5R0.4 [C-]#[N+]C(C)(C)C SC-78147 [0,1,0,0,0,0|3,0,0]=4 257 B5R0.4 [Li]C[Si](C)(C)C SC-69211 [0,1,0,0,0,0|2,1,0]=4 258 B5R0.5 CC(=O)C(=O)O SC-17382 [0,1,0,0,0,0|0,0,3]=4 259 B5R0.5 CC(=O)C(C)C SC-18478 [0,1,0,0,0,0|1,0,2]=4 260 B5R0.5 CC(=O)C(C)Cl SC-46981 [0,1,0,0,0,0|1,0,2]=4 261 B5R0.5 CC(=O)C(C)S SC-17208 [0,1,0,0,0,0|0,1,2]=4 262 B5R0.5 CC(=O)C(F)F SC-99156 [0,1,0,0,0,0|1,0,2]=4 263 B5R0.5 CC(Br)C(N)=O SC-97497 [0,1,0,0,0,0|1,0,2]=4 264 B5R0.5 CC(C)B(O)O SC-66620 [0,1,0,0,0,0|2,0,0]=3 265 B5R0.5 CC(C)C(=N)N SC-13079 [0,1,0,0,0,0|2,0,1]=4 266 B5R0.5 CC(C)N(C)C SC-90248 [0,1,0,0,0,0|3,0,0]=4 267 B5R0.5 CC(Cl)C(Cl)Cl SC-25006 [0,1,0,0,0,0|2,0,0]=3 268 B5R0.5 CC(F)C(=O)O SC-83429 [0,1,0,0,0,0|1,0,1]=3 269 B5R0.5 CC(N)C(=O)O SC-09271 [0,1,0,0,0,0|1,0,1]=3 270 B5R0.5 CC(N)C(N)=O SC-94219 [0,1,0,0,0,0|1,0,2]=4 271 B5R0.5 CC(O)C(=O)[O-] SC-19308 [0,1,0,0,0,0|0,0,2]=3 272 B5R0.5 CC(O)C(=O)[O-] SC-25623 [0,1,0,0,0,0|0,0,2]=3 273 B5R0.5 CC(O)C(=O)[O-] SC-75139 [0,1,0,0,0,0|0,0,2]=3 274 B5R0.5 CC(O)C(C)O SC-08971 [0,1,0,0,0,0|0,0,0]=1 275 B5R0.5 CC(O)C(C)O SC-08972 [0,1,0,0,0,0|0,0,0]=1 276 B5R0.5 CC(O)C(C)O SC-81338 [0,1,0,0,0,0|0,0,0]=1 277 B5R0.5 CC(S)C(=O)O SC-74563 [0,1,0,0,0,0|0,1,1]=3 278 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [0,1,0,0,0,0|1,0,1]=3 279 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [0,1,0,0,0,0|1,0,1]=3 280 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [0,1,0,0,0,0|1,0,1]=3 281 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [0,1,0,0,0,0|1,0,2]=4 282 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [0,1,0,0,0,0|0,0,2]=3 283 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [0,1,0,0,0,0|1,0,1]=3 284 B5R0.5 C[C@H](N)C(=O)O SC-09272 [0,1,0,0,0,0|1,0,1]=3 285 B5R0.5 C[C@H](N)C(N)=O SC-03542 [0,1,0,0,0,0|1,0,2]=4 286 B5R0.5 C[C@H](O)C(N)=O SC-73228 [0,1,0,0,0,0|0,0,2]=3 287 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [0,1,0,0,0,0|2,0,1]=4 288 B5R0.5 O=C(O)C(F)Br SC-49620 [0,1,0,0,0,0|2,0,1]=4 289 B5R0.5 O=C(O)C(F)F SC-25529 [0,1,0,0,0,0|2,0,1]=4 290 B5R0.5 OB(O)B(O)O SC-53118 [0,1,0,0,0,0|3,0,0]=4 291 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [0,1,0,0,0,0|1,0,1]=3 292 B5R1.2 BrC1CCC1 SC-50402 [0,0,0,1,0,0|2,0,0]=3 293 B5R1.2 CC1CCN1 SC-70091 [0,0,0,1,0,0|2,0,0]=3 294 B5R1.2 CC1CCN1 SC-A3607 [0,0,0,1,0,0|2,0,0]=3 295 B5R1.2 CC1CCN1 SC-A3960 [0,0,0,1,0,0|2,0,0]=3 296 B5R1.2 CC1CNC1 SC-50429 [0,0,0,1,0,0|2,0,0]=3 297 B5R1.2 FC1CNC1 SC-47665 [0,0,0,1,0,0|2,0,0]=3 298 B5R1.2 FC1CNC1 SC-51742 [0,0,0,1,0,0|2,0,0]=3 299 B5R1.2 IC1CCC1 SC-92367 [0,0,0,1,0,0|2,0,0]=3 300 B5R1.2 IC1COC1 SC-43780 [0,0,0,1,0,0|1,0,0]=2 301 B5R1.2 NC1CCC1 SC-20422 [0,0,0,1,0,0|2,0,0]=3 302 B5R1.2 NC1CNC1 SC-82511 [0,0,0,1,0,0|2,0,0]=3 303 B5R1.2 NC1COC1 SC-20809 [0,0,0,1,0,0|1,0,0]=2 304 B5R1.2 O=C1CCC1 SC-00523 [0,0,0,1,0,0|1,0,2]=4 305 B5R1.2 O=C1CNC1 SC-48283 [0,0,0,1,0,0|1,0,2]=4 306 B5R1.2 O=C1COC1 SC-21889 [0,0,0,1,0,0|0,0,2]=3 307 B5R1.2 OC1CNC1 SC-04637 [0,0,0,1,0,0|1,0,0]=2 308 B5R1.2 OC1CNC1 SC-19998 [0,0,0,1,0,0|1,0,0]=2 309 B5R1.2 OC1COC1 SC-25466 [0,0,0,1,0,0|0,0,0]=1 310 B5R1.2 OC1CSC1 SC-36448 [0,0,0,1,0,0|0,1,0]=2 311 B5R1.2 SC1COC1 SC-B7217 [0,0,0,1,0,0|0,1,0]=2 312 B5R1.3 BrCC1CC1 SC-16841 [0,0,0,1,0,0|2,0,0]=3 313 B5R1.3 C#CC1CC1 SC-22635 [0,0,0,1,0,0|2,0,1]=4 314 B5R1.3 C=CC1CO1 SC-72377 [0,0,0,1,0,0|1,0,1]=3 315 B5R1.3 CC[C@@H]1CO1 SC-52802 [0,0,0,1,0,0|1,0,0]=2 316 B5R1.3 ClCC1CC1 SC-27742 [0,0,0,1,0,0|2,0,0]=3 317 B5R1.3 ClC[C@@H]1CO1 SC-06234 [0,0,0,1,0,0|1,0,0]=2 318 B5R1.3 ClC[C@H]1CO1 SC-04973 [0,0,0,1,0,0|1,0,0]=2 319 B5R1.3 FCC1CO1 SC-91371 [0,0,0,1,0,0|1,0,0]=2 320 B5R1.3 N#CC1CC1 SC-17549 [0,0,0,1,0,0|2,0,1]=4 321 B5R1.3 NCC1CC1 SC-16854 [0,0,0,1,0,0|2,0,0]=3 322 B5R1.3 NCC1CC1 SC-95616 [0,0,0,1,0,0|2,0,0]=3 323 B5R1.3 NNC1CC1 SC-65163 [0,0,0,1,0,0|3,0,0]=4 324 B5R1.3 NNC1CC1 SC-68908 [0,0,0,1,0,0|3,0,0]=4 325 B5R1.3 NNC1CC1 SC-A3090 [0,0,0,1,0,0|3,0,0]=4 326 B5R1.3 NOC1CC1 SC-84445 [0,0,0,1,0,0|3,0,0]=4 327 B5R1.3 O=CC1CC1 SC-18902 [0,0,0,1,0,0|1,0,2]=4 328 B5R1.3 OCC1CC1 SC-02886 [0,0,0,1,0,0|1,0,0]=2 329 B5R1.3 OCC1CO1 SC-18485 [0,0,0,1,0,0|0,0,0]=1 330 B5R1.3 OC[C@@H]1CO1 SC-05422 [0,0,0,1,0,0|0,0,0]=1 331 B5R1.3 OC[C@H]1CO1 SC-05653 [0,0,0,1,0,0|0,0,0]=1 332 B5R1.4 NC1CC1F SC-88258 [0,0,0,1,0,0|2,0,0]=3 333 B5R1.5 CC1(C)CO1 SC-77899 [0,0,0,1,0,0|1,0,0]=2 334 B5R1.5 CC1(N)CC1 SC-43846 [0,0,0,1,0,0|2,0,0]=3 335 B5R1.5 CC1(N)CC1 SC-69791 [0,0,0,1,0,0|2,0,0]=3 336 B2R0.1 BrCBr SC-16380 [2,0,0,0,0,0|2,0,0]=4 337 B2R0.1 CC#N SC-43555 [2,0,0,0,0,0|1,0,1]=4 338 B2R0.1 CCI SC-46828 [2,0,0,0,0,0|1,0,0]=3 339 B2R0.1 CC[O-] SC-70475 [2,0,0,0,0,0|0,0,1]=3 340 B2R0.1 CC[O-] SC-94198 [2,0,0,0,0,0|0,0,1]=3 341 B2R0.1 CC[S-] SC-53819 [2,0,0,0,0,0|0,1,0]=3 342 B2R0.1 CNO SC-62256 [2,0,0,0,0,0|1,0,0]=3 343 B2R0.1 CON SC-18435 [2,0,0,0,0,0|2,0,0]=4 344 B2R0.1 ClCBr SC-06619 [2,0,0,0,0,0|2,0,0]=4 345 B2R0.1 ClCI SC-22871 [2,0,0,0,0,0|2,0,0]=4 346 B2R0.1 FCI SC-48569 [2,0,0,0,0,0|2,0,0]=4 347 B2R0.1 ICI SC-16458 [2,0,0,0,0,0|2,0,0]=4 348 B2R0.1 [CH2-]CC SC-50030 [2,0,0,0,0,0|0,0,1]=3 349 B4R0.2 BrCCCBr SC-79111 [1,1,0,0,0,0|1,0,0]=3 350 B4R0.2 C#CCCBr SC-52138 [1,1,0,0,0,0|1,0,1]=4 351 B4R0.2 C#CCCN SC-49547 [1,1,0,0,0,0|1,0,1]=4 352 B4R0.2 C#CCCO SC-17773 [1,1,0,0,0,0|0,0,1]=3 353 B4R0.2 C#CCNC SC-87202 [1,1,0,0,0,0|1,0,1]=4 354 B4R0.2 C#CCNO SC-A2362 [1,1,0,0,0,0|0,0,2]=4 355 B4R0.2 C=CCCCl SC-90795 [1,1,0,0,0,0|1,0,1]=4 356 B4R0.2 C=CCCN SC-48242 [1,1,0,0,0,0|1,0,1]=4 357 B4R0.2 C=CCCN SC-52106 [1,1,0,0,0,0|1,0,1]=4 358 B4R0.2 C=CCCO SC-45284 [1,1,0,0,0,0|0,0,1]=3 359 B4R0.2 C=CCNC SC-05902 [1,1,0,0,0,0|1,0,1]=4 360 B4R0.2 C=CCON SC-96333 [1,1,0,0,0,0|0,0,2]=4 361 B4R0.2 C=CCSC SC-47211 [1,1,0,0,0,0|1,0,1]=4 362 B4R0.2 CC#CCBr SC-13862 [1,1,0,0,0,0|1,0,1]=4 363 B4R0.2 CC#CCO SC-17951 [1,1,0,0,0,0|0,0,1]=3 364 B4R0.2 CCCNC SC-27548 [1,1,0,0,0,0|1,0,0]=3 365 B4R0.2 CCN=C=O SC-11793 [1,1,0,0,0,0|0,0,2]=4 366 B4R0.2 CCN=C=S SC-46927 [1,1,0,0,0,0|0,1,1]=4 367 B4R0.2 CCOCC SC-73354 [1,1,0,0,0,0|1,0,0]=3 368 B4R0.2 CNCC#N SC-13788 [1,1,0,0,0,0|1,0,1]=4 369 B4R0.2 CNCCBr SC-98001 [1,1,0,0,0,0|1,0,0]=3 370 B4R0.2 COCC=O SC-48883 [1,1,0,0,0,0|0,0,2]=4 371 B4R0.2 COCCCl SC-05903 [1,1,0,0,0,0|1,0,0]=3 372 B4R0.2 COCCN SC-22236 [1,1,0,0,0,0|1,0,0]=3 373 B4R0.2 CSCCCl SC-53991 [1,1,0,0,0,0|1,0,0]=3 374 B4R0.2 CSCCN SC-28443 [1,1,0,0,0,0|1,0,0]=3 375 B4R0.2 CSCCN SC-83550 [1,1,0,0,0,0|1,0,0]=3 376 B4R0.2 CSCCO SC-19276 [1,1,0,0,0,0|0,0,0]=2 377 B4R0.2 C\C=C/CO SC-69832 [1,1,0,0,0,0|0,0,1]=3 378 B4R0.2 C\C=C\CCl SC-22573 [1,1,0,0,0,0|1,0,1]=4 379 B4R0.2 C\C=C\CO SC-25521 [1,1,0,0,0,0|0,0,1]=3 380 B4R0.2 C\C=C\CO SC-69597 [1,1,0,0,0,0|0,0,1]=3 381 B4R0.2 C\C=C\OC SC-97407 [1,1,0,0,0,0|0,0,2]=4 382 B4R0.2 ClCCCI SC-73683 [1,1,0,0,0,0|1,0,0]=3 383 B4R0.2 FCCCBr SC-49851 [1,1,0,0,0,0|1,0,0]=3 384 B4R0.2 FCCCI SC-84350 [1,1,0,0,0,0|1,0,0]=3 385 B4R0.2 ICCCI SC-89448 [1,1,0,0,0,0|1,0,0]=3 386 B4R0.2 N#CCCBr SC-46247 [1,1,0,0,0,0|1,0,1]=4 387 B4R0.2 NCCCBr SC-39593 [1,1,0,0,0,0|1,0,0]=3 388 B4R0.2 NCCCBr SC-48386 [1,1,0,0,0,0|1,0,0]=3 389 B4R0.2 NCCCCl SC-15218 [1,1,0,0,0,0|1,0,0]=3 390 B4R0.2 NCCCO SC-16407 [1,1,0,0,0,0|0,0,0]=2 391 B4R0.2 NCCCS SC-52748 [1,1,0,0,0,0|0,1,0]=3 392 B4R0.2 NNCCO SC-15469 [1,1,0,0,0,0|1,0,0]=3 393 B4R0.2 NOCCO SC-41192 [1,1,0,0,0,0|0,0,0]=2 394 B4R0.2 O=CCCCl SC-71322 [1,1,0,0,0,0|0,0,2]=4 395 B4R0.2 O=CCCO SC-52939 [1,1,0,0,0,0|0,0,1]=3 396 B4R0.2 OCCCBr SC-13514 [1,1,0,0,0,0|0,0,0]=2 397 B4R0.2 OCCCCl SC-15525 [1,1,0,0,0,0|0,0,0]=2 398 B4R0.2 OCCCF SC-24862 [1,1,0,0,0,0|0,0,0]=2 399 B4R0.2 OCCCI SC-65803 [1,1,0,0,0,0|0,0,0]=2 400 B4R0.2 OCCCO SC-25736 [1,1,0,0,0,0|0,0,0]=2 401 B4R0.2 SCCCS SC-17571 [1,1,0,0,0,0|0,1,0]=3 402 B4R0.3 CC(C)(C)N SC-72371 [1,1,0,0,0,0|1,0,0]=3 403 B4R0.3 CC(C)(C)[Mg+] SC-69024 [1,1,0,0,0,0|1,0,0]=3 404 B4R0.3 CC(C)(C)[O-] SC-45240 [1,1,0,0,0,0|0,0,1]=3 405 B4R0.3 CC(C)(C)[O-] SC-47436 [1,1,0,0,0,0|0,0,1]=3 406 B4R0.3 CP(=O)(O)O SC-70367 [1,1,0,0,0,0|1,0,0]=3 407 B4R0.3 CS(C)(=N)=O SC-82490 [1,1,0,0,0,0|1,0,1]=4 408 B4R0.3 C[N+](C)(C)C SC-10901 [1,1,0,0,0,0|2,0,0]=4 409 B4R0.3 C[N+](C)(C)C SC-22587 [1,1,0,0,0,0|2,0,0]=4 410 B4R0.3 C[N+](C)(C)C SC-23760 [1,1,0,0,0,0|2,0,0]=4 411 B4R0.3 C[N+](C)(C)C SC-87152 [1,1,0,0,0,0|2,0,0]=4 412 B4R0.3 C[N+](C)(C)[O-] SC-19343 [1,1,0,0,0,0|1,0,1]=4 413 B4R0.3 C[S+](C)(C)=O SC-18836 [1,1,0,0,0,0|1,0,1]=4 414 B4R0.3 C[S+](C)(C)=O SC-44978 [1,1,0,0,0,0|1,0,1]=4 415 B4R0.3 C[Si](C)(C)Br SC-26741 [1,1,0,0,0,0|1,1,0]=4 416 B4R0.3 C[Si](C)(C)Cl SC-25617 [1,1,0,0,0,0|1,1,0]=4 417 B4R0.3 C[Si](C)(C)I SC-15978 [1,1,0,0,0,0|1,1,0]=4 418 B4R0.3 C[Si](C)(C)[O-] SC-48218 [1,1,0,0,0,0|0,1,1]=4 419 B4R0.3 C[Si](C)(C)[O-] SC-82468 [1,1,0,0,0,0|0,1,1]=4 420 B4R0.3 O=S(=O)(O)O SC-21121 [1,1,0,0,0,0|2,0,0]=4 421 B4R0.3 O=S(=O)(O)O SC-65219 [1,1,0,0,0,0|2,0,0]=4 422 B6R0.1 CCOC(=O)CO SC-50412 [0,2,0,0,0,0|0,0,2]=4 423 B6R0.1 CC[C@@H](N)COC SC-65714 [0,2,0,0,0,0|1,0,0]=3 424 B6R0.1 CC[C@H](N)COC SC-89974 [0,2,0,0,0,0|1,0,0]=3 425 B6R0.1 COC(=O)CCO SC-21690 [0,2,0,0,0,0|0,0,2]=4 426 B6R0.1 COCC(=O)OC SC-62202 [0,2,0,0,0,0|0,0,2]=4 427 B6R0.1 N#CC[C@@H](O)CCl SC-08974 [0,2,0,0,0,0|1,0,0]=3 428 B6R0.1 N#CC[C@H](O)CCl SC-00699 [0,2,0,0,0,0|1,0,0]=3 429 B6R0.1 O=C(CCl)NCO SC-21590 [0,2,0,0,0,0|0,0,2]=4 430 B6R0.1 OCCC(O)CO SC-15322 [0,2,0,0,0,0|0,0,0]=2 431 B6R0.1 OCC[C@H](O)CO SC-08973 [0,2,0,0,0,0|0,0,0]=2 432 B6R0.2 CC(C)CB(O)O SC-06923 [0,2,0,0,0,0|1,0,0]=3 433 B6R0.2 CC(C)NC(C)C SC-18336 [0,2,0,0,0,0|2,0,0]=4 434 B6R0.2 CC(C)OC(C)C SC-65190 [0,2,0,0,0,0|2,0,0]=4 435 B6R0.2 CC(Cl)CN(C)C SC-81232 [0,2,0,0,0,0|2,0,0]=4 436 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,2,0,0,0,0|1,0,0]=3 437 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,2,0,0,0,0|1,0,0]=3 438 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,2,0,0,0,0|1,0,0]=3 439 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,2,0,0,0,0|0,0,0]=2 440 B6R0.3 C=CC(C)C(=O)O SC-65769 [0,2,0,0,0,0|1,0,1]=4 441 B6R0.3 CC(C#N)C(=O)O SC-65741 [0,2,0,0,0,0|1,0,1]=4 442 B6R0.3 CC(C)C(=N)NO SC-29781 [0,2,0,0,0,0|1,0,1]=4 443 B6R0.3 CC(C)C(=O)CBr SC-21776 [0,2,0,0,0,0|2,0,0]=4 444 B6R0.3 CC(C)C(C)NN SC-41530 [0,2,0,0,0,0|2,0,0]=4 445 B6R0.3 CC(C)C(O)CN SC-34918 [0,2,0,0,0,0|1,0,0]=3 446 B6R0.3 CC(C)C(O)CN SC-A3426 [0,2,0,0,0,0|1,0,0]=3 447 B6R0.3 CC(C)[C@@H](N)CO SC-04448 [0,2,0,0,0,0|1,0,0]=3 448 B6R0.3 CC(C)[C@H](N)CO SC-02242 [0,2,0,0,0,0|1,0,0]=3 449 B6R0.3 CC(CBr)C(=O)O SC-53016 [0,2,0,0,0,0|1,0,0]=3 450 B6R0.3 CC(CN)C(=O)O SC-10095 [0,2,0,0,0,0|1,0,0]=3 451 B6R0.3 CC(CN)C(=O)O SC-16443 [0,2,0,0,0,0|1,0,0]=3 452 B6R0.3 CCC(F)C(=O)O SC-82839 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.3 CCC(N)C(=O)O SC-25570 [0,2,0,0,0,0|1,0,1]=4 454 B6R0.3 CCC(S)C(=O)O SC-90417 [0,2,0,0,0,0|0,1,1]=4 455 B6R0.3 CCN(O)C(C)=O SC-69302 [0,2,0,0,0,0|2,0,0]=4 456 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [0,2,0,0,0,0|1,0,0]=3 457 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,2,0,0,0,0|1,0,1]=4 458 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [0,2,0,0,0,0|0,0,1]=3 459 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,2,0,0,0,0|1,0,1]=4 460 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [0,2,0,0,0,0|1,0,1]=4 461 B6R0.3 COC(=O)C(C)Cl SC-18837 [0,2,0,0,0,0|1,0,1]=4 462 B6R0.3 COC(=O)C(C)N SC-09296 [0,2,0,0,0,0|1,0,1]=4 463 B6R0.3 COC(=O)C(C)N SC-54087 [0,2,0,0,0,0|1,0,1]=4 464 B6R0.3 COC(=O)C(C)O SC-01713 [0,2,0,0,0,0|0,0,1]=3 465 B6R0.3 COC(=O)[C@H](C)Cl SC-06555 [0,2,0,0,0,0|1,0,1]=4 466 B6R0.3 COC(=O)[C@H](C)N SC-09297 [0,2,0,0,0,0|1,0,1]=4 467 B6R0.3 COC(C)C(=O)O SC-49776 [0,2,0,0,0,0|0,0,1]=3 468 B6R0.3 COC(C)[C@@H](C)N SC-A2593 [0,2,0,0,0,0|1,0,0]=3 469 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [0,2,0,0,0,0|0,0,1]=3 470 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [0,2,0,0,0,0|0,0,1]=3 471 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [0,2,0,0,0,0|1,0,0]=3 472 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [0,2,0,0,0,0|1,0,0]=3 473 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [0,2,0,0,0,0|1,0,0]=3 474 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [0,2,0,0,0,0|1,0,1]=4 475 B6R0.3 NC(CO)C(=O)O SC-09828 [0,2,0,0,0,0|1,0,0]=3 476 B6R0.3 NC(CS)C(=O)O SC-16429 [0,2,0,0,0,0|1,0,1]=4 477 B6R0.3 NCC(N)C(=O)O SC-12518 [0,2,0,0,0,0|1,0,1]=4 478 B6R0.3 NCC(N)C(=O)O SC-26817 [0,2,0,0,0,0|1,0,1]=4 479 B6R0.3 NCC(O)C(=O)O SC-10335 [0,2,0,0,0,0|0,0,1]=3 480 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [0,2,0,0,0,0|1,0,1]=4 481 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,2,0,0,0,0|1,0,0]=3 482 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [0,2,0,0,0,0|1,0,1]=4 483 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [0,2,0,0,0,0|1,0,0]=3 484 B6R0.3 O=C(O)C(Br)CBr SC-26969 [0,2,0,0,0,0|1,0,1]=4 485 B6R0.3 O=C(O)C(O)CCl SC-83865 [0,2,0,0,0,0|0,0,1]=3 486 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [0,2,0,0,0,0|1,0,1]=4 487 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [0,2,0,0,0,0|1,0,1]=4 488 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [0,2,0,0,0,0|1,0,1]=4 489 B6R0.4 CC(C)NCCCl SC-96276 [0,2,0,0,0,0|2,0,0]=4 490 B6R0.4 CC(C)OCCBr SC-50384 [0,2,0,0,0,0|2,0,0]=4 491 B6R0.4 COCCC(=O)O SC-50255 [0,2,0,0,0,0|1,0,1]=4 492 B6R0.4 COCCN(C)C SC-21743 [0,2,0,0,0,0|2,0,0]=4 493 B6R0.4 O=C(O)C#CCO SC-89192 [0,2,0,0,0,0|1,0,1]=4 494 B6R0.5 CC(C)(C)CCCl SC-41626 [0,2,0,0,0,0|2,0,0]=4 495 B6R0.5 CC(C)(N)CCO SC-89270 [0,2,0,0,0,0|1,0,0]=3 496 B6R0.5 CC(C)(O)CC#N SC-65608 [0,2,0,0,0,0|1,0,0]=3 497 B6R0.5 CC(C)(O)CCBr SC-A2798 [0,2,0,0,0,0|1,0,0]=3 498 B6R0.5 CC(C)(O)CCN SC-14242 [0,2,0,0,0,0|1,0,0]=3 499 B6R0.5 CC(C)(O)CCO SC-20680 [0,2,0,0,0,0|0,0,0]=2 500 B6R0.5 COC[P+](C)(C)C SC-95671 [0,2,0,0,0,0|2,0,0]=4 501 B6R0.5 C[Si](C)(C)CCO SC-03182 [0,2,0,0,0,0|1,1,0]=4 502 B6R0.5 O=S(=O)(O)CCO SC-15822 [0,2,0,0,0,0|2,0,0]=4 503 B6R0.5 OCCC(F)(F)F SC-44695 [0,2,0,0,0,0|2,0,0]=4 504 B6R0.8 C#CC(C)(O)C=C SC-17989 [0,2,0,0,0,0|1,0,1]=4 505 B6R0.8 CC(C)(CN)CO SC-65465 [0,2,0,0,0,0|1,0,0]=3 506 B6R0.8 CC(C)(CO)CBr SC-92906 [0,2,0,0,0,0|1,0,0]=3 507 B6R0.8 CC(N)(CO)CO SC-44686 [0,2,0,0,0,0|0,0,0]=2 508 B6R0.8 CCC(C)(N)C#N SC-89513 [0,2,0,0,0,0|2,0,0]=4 509 B6R0.8 COC(C)(C)CBr SC-48585 [0,2,0,0,0,0|1,0,0]=3 510 B6R0.8 COC(C)(C)CN SC-47790 [0,2,0,0,0,0|1,0,0]=3 511 B6R0.8 COC(C)(C)CO SC-90238 [0,2,0,0,0,0|0,0,0]=2 512 B6R0.8 NCC(F)(F)CO SC-A2137 [0,2,0,0,0,0|1,0,0]=3 513 B6R0.8 OCC(F)(F)CO SC-A2616 [0,2,0,0,0,0|1,0,0]=3 514 B6R0.8 [C-]#[N+]C(C)(C)CC SC-92914 [0,2,0,0,0,0|2,0,0]=4 515 B6R0.9 C=CC(OC)OC SC-27140 [0,2,0,0,0,0|1,0,1]=4 516 B6R0.9 CCB(CC)OC SC-22792 [0,2,0,0,0,0|2,0,0]=4 517 B6R0.9 CCC(OC)OC SC-85699 [0,2,0,0,0,0|1,0,0]=3 518 B6R0.9 COC(CBr)OC SC-25586 [0,2,0,0,0,0|1,0,0]=3 519 B6R0.9 COC(CCl)OC SC-23347 [0,2,0,0,0,0|1,0,0]=3 520 B6R0.9 COC(CN)OC SC-15365 [0,2,0,0,0,0|1,0,0]=3 521 B6R0.9 COC(CO)OC SC-71481 [0,2,0,0,0,0|0,0,0]=2 522 B6R0.9 COC(OC)OC SC-16111 [0,2,0,0,0,0|2,0,0]=4 523 B6R0.9 OCC(CO)CO SC-43670 [0,2,0,0,0,0|0,0,0]=2 524 B6R0.7 CC(=O)C(C)(C)O SC-68565 [0,2,0,0,0,0|0,0,2]=4 525 B6R0.7 CC(C)(Br)C(=O)O SC-76089 [0,2,0,0,0,0|1,0,1]=4 526 B6R0.7 CC(C)(C)C(Br)Br SC-83014 [0,2,0,0,0,0|2,0,0]=4 527 B6R0.7 CC(C)(N)C(=O)O SC-25938 [0,2,0,0,0,0|1,0,1]=4 528 B6R0.7 CC(C)(O)C(=O)[O-] SC-08910 [0,2,0,0,0,0|0,0,2]=4 529 B6R0.7 CC(F)(F)C(=O)O SC-91857 [0,2,0,0,0,0|1,0,1]=4 530 B6R0.7 CC(N)C(F)(F)F SC-06260 [0,2,0,0,0,0|2,0,0]=4 531 B6R0.7 CC(N)C(F)(F)F SC-45034 [0,2,0,0,0,0|2,0,0]=4 532 B6R0.7 CC(N)C(F)(F)F SC-53370 [0,2,0,0,0,0|2,0,0]=4 533 B6R0.7 C[C@@H](N)C(F)(F)F SC-06220 [0,2,0,0,0,0|2,0,0]=4 534 B6R0.7 C[C@@H](N)C(F)(F)F SC-06263 [0,2,0,0,0,0|2,0,0]=4 535 B6R0.7 OC(O)C(Cl)(Cl)Cl SC-18707 [0,2,0,0,0,0|2,0,0]=4 536 B4R1.1 C1CNC1 SC-20716 [1,0,0,1,0,0|1,0,0]=3 537 B4R1.2 BrC1CC1 SC-13617 [1,0,0,1,0,0|1,0,0]=3 538 B4R1.2 CC1CC1 SC-53150 [1,0,0,1,0,0|1,0,0]=3 539 B4R1.2 NC1CC1 SC-13654 [1,0,0,1,0,0|1,0,0]=3 540 B4R1.2 OC1CC1 SC-48540 [1,0,0,1,0,0|0,0,0]=2 541 B6R1.2 BrC1CCNC1 SC-24702 [0,1,0,1,0,0|2,0,0]=4 542 B6R1.2 BrC1CCOC1 SC-49709 [0,1,0,1,0,0|1,0,0]=3 543 B6R1.2 CC1=CCCO1 SC-69814 [0,1,0,1,0,0|1,0,1]=4 544 B6R1.2 CC1CCCN1 SC-89376 [0,1,0,1,0,0|2,0,0]=4 545 B6R1.2 CC1CCCN1 SC-A3822 [0,1,0,1,0,0|2,0,0]=4 546 B6R1.2 CC1CCNC1 SC-24125 [0,1,0,1,0,0|2,0,0]=4 547 B6R1.2 CC1CCNC1 SC-49333 [0,1,0,1,0,0|2,0,0]=4 548 B6R1.2 C[C@@H]1CCNC1 SC-23714 [0,1,0,1,0,0|2,0,0]=4 549 B6R1.2 C[C@@H]1CCNC1 SC-50232 [0,1,0,1,0,0|2,0,0]=4 550 B6R1.2 C[C@H]1CCCN1 SC-95860 [0,1,0,1,0,0|2,0,0]=4 551 B6R1.2 C[C@H]1CCNC1 SC-50233 [0,1,0,1,0,0|2,0,0]=4 552 B6R1.2 FC1CCCC1 SC-09548 [0,1,0,1,0,0|2,0,0]=4 553 B6R1.2 FC1CCNC1 SC-28940 [0,1,0,1,0,0|2,0,0]=4 554 B6R1.2 F[C@H]1CCNC1 SC-43922 [0,1,0,1,0,0|2,0,0]=4 555 B6R1.2 NC1CC=CC1 SC-21605 [0,1,0,1,0,0|2,0,0]=4 556 B6R1.2 NC1CCCC1 SC-84758 [0,1,0,1,0,0|2,0,0]=4 557 B6R1.2 NC1CCNC1 SC-18208 [0,1,0,1,0,0|2,0,0]=4 558 B6R1.2 NC1CCNC1 SC-62350 [0,1,0,1,0,0|2,0,0]=4 559 B6R1.2 NC1CCOC1 SC-12746 [0,1,0,1,0,0|1,0,0]=3 560 B6R1.2 NC1CCOC1 SC-35465 [0,1,0,1,0,0|1,0,0]=3 561 B6R1.2 N[C@@H]1CCOC1 SC-14942 [0,1,0,1,0,0|1,0,0]=3 562 B6R1.2 N[C@@H]1CCOC1 SC-26567 [0,1,0,1,0,0|1,0,0]=3 563 B6R1.2 N[C@H]1CCOC1 SC-14943 [0,1,0,1,0,0|1,0,0]=3 564 B6R1.2 O=C1CCOC1 SC-21867 [0,1,0,1,0,0|0,0,2]=4 565 B6R1.2 OC1CC=CC1 SC-22908 [0,1,0,1,0,0|1,0,0]=3 566 B6R1.2 OC1CCCN1 SC-21341 [0,1,0,1,0,0|1,0,0]=3 567 B6R1.2 OC1CCNC1 SC-00623 [0,1,0,1,0,0|1,0,0]=3 568 B6R1.2 OC1CCNC1 SC-19629 [0,1,0,1,0,0|1,0,0]=3 569 B6R1.2 OC1CCNC1 SC-24957 [0,1,0,1,0,0|1,0,0]=3 570 B6R1.2 OC1CCNC1 SC-27708 [0,1,0,1,0,0|1,0,0]=3 571 B6R1.2 OC1CCOC1 SC-17875 [0,1,0,1,0,0|0,0,0]=2 572 B6R1.2 O[C@@H]1CCNC1 SC-00194 [0,1,0,1,0,0|1,0,0]=3 573 B6R1.2 O[C@@H]1CCNC1 SC-13984 [0,1,0,1,0,0|1,0,0]=3 574 B6R1.2 O[C@@H]1CCOC1 SC-07022 [0,1,0,1,0,0|0,0,0]=2 575 B6R1.2 O[C@@H]1CNOC1 SC-83248 [0,1,0,1,0,0|0,0,0]=2 576 B6R1.2 O[C@H]1CCOC1 SC-08982 [0,1,0,1,0,0|0,0,0]=2 577 B6R1.2 O[C@H]1CCOC1 SC-50082 [0,1,0,1,0,0|0,0,0]=2 578 B6R1.2 O[C@H]1CNOC1 SC-83247 [0,1,0,1,0,0|0,0,0]=2 579 B6R1.2 [C@@H]1(C)CCCN1 SC-48604 [0,1,0,1,0,0|2,0,0]=4 580 B6R1.2 [C@H]1(O)CCNC1 SC-24229 [0,1,0,1,0,0|1,0,0]=3 581 B6R1.3 BrCCC1CC1 SC-52079 [0,1,0,1,0,0|2,0,0]=4 582 B6R1.3 BrCCC1CO1 SC-20894 [0,1,0,1,0,0|1,0,0]=3 583 B6R1.3 CNCC1CC1 SC-47993 [0,1,0,1,0,0|2,0,0]=4 584 B6R1.3 COC[C@@H]1CO1 SC-09011 [0,1,0,1,0,0|0,0,0]=2 585 B6R1.3 COC[C@H]1CO1 SC-06042 [0,1,0,1,0,0|0,0,0]=2 586 B6R1.3 CSCC1CO1 SC-50532 [0,1,0,1,0,0|0,1,0]=3 587 B6R1.3 ICCC1CC1 SC-B7584 [0,1,0,1,0,0|2,0,0]=4 588 B6R1.3 N#CCC1CC1 SC-25467 [0,1,0,1,0,0|2,0,0]=4 589 B6R1.3 NCCC1CC1 SC-14247 [0,1,0,1,0,0|2,0,0]=4 590 B6R1.3 NCCC1CC1 SC-99606 [0,1,0,1,0,0|2,0,0]=4 591 B6R1.3 NNCC1CC1 SC-67047 [0,1,0,1,0,0|2,0,0]=4 592 B6R1.3 NOCC1CC1 SC-14038 [0,1,0,1,0,0|1,0,0]=3 593 B6R1.3 OCCC1CC1 SC-48582 [0,1,0,1,0,0|1,0,0]=3 594 B6R1.3 OCCC1CC1 SC-48583 [0,1,0,1,0,0|1,0,0]=3 595 B6R1.5 CN1CC(N)C1 SC-48566 [0,1,0,1,0,0|2,0,0]=4 596 B6R1.5 CN1CC(N)C1 SC-96394 [0,1,0,1,0,0|2,0,0]=4 597 B6R1.5 CN1CC(N)C1 SC-98163 [0,1,0,1,0,0|2,0,0]=4 598 B6R1.5 CN1CC(O)C1 SC-92160 [0,1,0,1,0,0|1,0,0]=3 599 B6R1.5 NC1CC(=O)C1 SC-50311 [0,1,0,1,0,0|1,0,1]=4 600 B6R1.5 NC1CC(=O)C1 SC-67476 [0,1,0,1,0,0|1,0,1]=4 601 B6R1.5 NC1CC(F)C1 SC-82347 [0,1,0,1,0,0|2,0,0]=4 602 B6R1.5 NC1CC(O)C1 SC-52840 [0,1,0,1,0,0|1,0,0]=3 603 B6R1.5 N[C@H]1C[C@@H](O)C1 SC-94821 [0,1,0,1,0,0|1,0,0]=3 604 B6R1.5 N[C@H]1C[C@H](O)C1 SC-51722 [0,1,0,1,0,0|1,0,0]=3 605 B6R1.5 N[C@H]1C[C@H](O)C1 SC-94820 [0,1,0,1,0,0|1,0,0]=3 606 B6R1.9 NC1CC1(F)F SC-88484 [0,1,0,1,0,0|2,0,0]=4 607 B6R1.10 CC1(C)CNC1 SC-05287 [0,1,0,1,0,0|2,0,0]=4 608 B6R1.10 CC1(N)CCC1 SC-38385 [0,1,0,1,0,0|2,0,0]=4 609 B6R1.10 CC1(N)CCC1 SC-82175 [0,1,0,1,0,0|2,0,0]=4 610 B6R1.10 CC1(N)COC1 SC-25578 [0,1,0,1,0,0|1,0,0]=3 611 B6R1.10 CC1(O)CNC1 SC-43430 [0,1,0,1,0,0|1,0,0]=3 612 B6R1.10 FC1(F)CNC1 SC-20201 [0,1,0,1,0,0|2,0,0]=4 613 B6R1.10 FC1(F)CNC1 SC-52837 [0,1,0,1,0,0|2,0,0]=4 614 B6R1.11 CC(C)C1CO1 SC-72443 [0,1,0,1,0,0|1,0,0]=3 615 B6R1.11 CC(O)C1CC1 SC-19615 [0,1,0,1,0,0|1,0,0]=3 616 B6R1.11 C[C@@H](N)C1CC1 SC-83564 [0,1,0,1,0,0|2,0,0]=4 617 B6R1.11 C[C@H](N)C1CC1 SC-87033 [0,1,0,1,0,0|2,0,0]=4 618 B6R1.11 O=C(O)C1CC1 SC-22620 [0,1,0,1,0,0|1,0,1]=4 619 B6R1.11 O=C(O)C1CO1 SC-83949 [0,1,0,1,0,0|0,0,1]=3 620 B6R1.11 OB(O)C1CC1 SC-04359 [0,1,0,1,0,0|2,0,0]=4 621 B6R1.6 BrCC1CCC1 SC-17177 [0,1,0,1,0,0|2,0,0]=4 622 B6R1.6 BrCC1COC1 SC-88668 [0,1,0,1,0,0|1,0,0]=3 623 B6R1.6 CNC1CCC1 SC-48003 [0,1,0,1,0,0|2,0,0]=4 624 B6R1.6 CNC1CNC1 SC-92061 [0,1,0,1,0,0|2,0,0]=4 625 B6R1.6 COC1CNC1 SC-13154 [0,1,0,1,0,0|1,0,0]=3 626 B6R1.6 ICC1CCC1 SC-B3939 [0,1,0,1,0,0|2,0,0]=4 627 B6R1.6 ICC1COC1 SC-52174 [0,1,0,1,0,0|1,0,0]=3 628 B6R1.6 N#CC1CCC1 SC-43622 [0,1,0,1,0,0|2,0,0]=4 629 B6R1.6 NCC1CCC1 SC-12470 [0,1,0,1,0,0|2,0,0]=4 630 B6R1.6 NCC1CCC1 SC-22241 [0,1,0,1,0,0|2,0,0]=4 631 B6R1.6 NCC1CCC1 SC-A4294 [0,1,0,1,0,0|2,0,0]=4 632 B6R1.6 NCC1COC1 SC-48246 [0,1,0,1,0,0|1,0,0]=3 633 B6R1.6 NNC1CCC1 SC-12374 [0,1,0,1,0,0|2,0,0]=4 634 B6R1.6 NNC1CCC1 SC-12770 [0,1,0,1,0,0|2,0,0]=4 635 B6R1.6 NNC1CCC1 SC-72265 [0,1,0,1,0,0|2,0,0]=4 636 B6R1.6 O=CC1CCC1 SC-14218 [0,1,0,1,0,0|1,0,1]=4 637 B6R1.6 O=CC1COC1 SC-65750 [0,1,0,1,0,0|0,0,1]=3 638 B6R1.6 OCC1CCC1 SC-16736 [0,1,0,1,0,0|1,0,0]=3 639 B6R1.6 OCC1CCO1 SC-48256 [0,1,0,1,0,0|0,0,0]=2 640 B6R1.6 OCC1CNC1 SC-12744 [0,1,0,1,0,0|1,0,0]=3 641 B6R1.6 OCC1CNC1 SC-49233 [0,1,0,1,0,0|1,0,0]=3 642 B6R1.6 OCC1COC1 SC-48581 [0,1,0,1,0,0|0,0,0]=2 643 B6R1.7 CC1(CO)CC1 SC-54558 [0,1,0,1,0,0|1,0,0]=3 644 B6R1.7 NC1(CO)CC1 SC-21613 [0,1,0,1,0,0|1,0,0]=3 645 B6R1.7 NC1(CO)CC1 SC-52621 [0,1,0,1,0,0|1,0,0]=3 646 B6R1.7 NCC1(O)CC1 SC-49870 [0,1,0,1,0,0|1,0,0]=3