0 B6R0.6 CCCNCCC AB02251 [1,0,0,0,0,0|1,0,1]=3 1 B8R0.7 B(CCCCCC)(O)O AB08083 [0,1,0,0,0,0|1,0,2]=4 2 B8R0.7 B(\C=C\CCCC)(O)O AB08038 [0,1,0,0,0,0|3,0,0]=4 3 B8R1.2 C1CC(CNC1)CN AB17390 [0,0,0,1,0,0|2,0,1]=4 4 B8R1.2 C1CC(CNC1)CO PB21599 [0,0,0,1,0,0|1,0,1]=3 5 B8R1.2 C1CC(COC1)CBr PB14565 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.2 C1CC(COC1)CN PB23481 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.2 C1CC(COC1)CO PB12514 [0,0,0,1,0,0|1,0,1]=3 8 B8R1.2 C1CC(OC=C1)C=O PB24581 [0,0,0,1,0,0|1,0,2]=4 9 B8R1.2 C1CCC(=CC1)CBr PB28658 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.2 C1CCOC(C1)CBr MB00206 [0,0,0,1,0,0|1,0,2]=4 11 B8R1.2 C1CCOC(C1)CN AB28292 [0,0,0,1,0,0|1,0,2]=4 12 B8R1.2 C1CCOC(C1)CO AB00784 [0,0,0,1,0,0|1,0,2]=4 13 B8R1.2 C1CNCCC1CBr AB52518 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.2 C1CNCCC1CBr MB02967 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.2 C1CNCCC1CF PB14869 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.2 C1CNCCC1CO PB10118 [0,0,0,1,0,0|1,0,1]=3 17 B8R1.2 C1COCC(N1)CO AB17137 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.2 C1COCCC1CBr PB20063 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.2 C1COCCC1CCl AB71513 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.2 C1COCCC1CI PB24898 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.2 C1COCCC1CN AB14272 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.2 C1COCCC1CN PB27569 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.2 C1COCCC1CO PB18487 [0,0,0,1,0,0|1,0,1]=3 24 B8R1.2 C1COC[C@@H](N1)CO AB29968 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.2 C1CSCCC1CN PB35740 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.2 C1CSCCC1CO PB28111 [0,0,0,1,0,0|1,0,1]=3 27 B8R1.2 CCC1CNCCO1 AB49621 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.2 COC1=CCOCC1 PB24535 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,0,0,1,0,0|1,0,2]=4 30 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,0,0,1,0,0|1,0,2]=4 31 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,0,0,1,0,0|1,0,2]=4 33 B8R1.5 C1CNC[C@H]([C@@H]1O)F PB36818 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.5 C1CNC[C@H]([C@H]1O)F PB38663 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.5 CC1CCNCC1O PB36981 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,0,0,1,0,0|1,0,2]=4 43 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.8 C1=NC=NC1CCO PB21680 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.8 C1=NN=CC1CCO AB14476 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.8 C1CC(NC1)CCO CB10162 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.8 C1CC(NC1)CCO PB35354 [0,0,0,1,0,0|1,0,1]=3 48 B8R1.8 C1CC(OC1)CCI AB76593 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.8 C1CC(OC1)CCN AB30605 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.8 C1CCC(C1)CCN AB02350 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.8 C1CNCC1CCO PB20322 [0,0,0,1,0,0|1,0,1]=3 52 B8R1.8 C1COCC1CCI AB75456 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.8 C1COCC1CCN AB45457 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.8 C1N=CC=[N+]1CCN AB72185 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.8 CCCC1CCCN1 AB12028 [0,0,0,1,0,0|1,0,2]=4 56 B8R1.8 c1cc(sc1)CCO PB32074 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.8 c1cn(nn1)CCO AB16637 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.8 c1cscc1CCO PB25903 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [0,0,0,1,0,0|1,0,2]=4 61 B8R1.11 CN1CCC[C@@H]1CO PB17412 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.22 C1CC(CCNC1)F PB33307 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.22 C1CC(CCNC1)O PB18652 [0,0,0,1,0,0|1,0,1]=3 64 B8R1.22 C1CC(CCOC1)N AB70734 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.22 C[C@H]1CNCCCN1 AB72341 [0,0,0,1,0,0|2,0,1]=4 66 B7R0.3 COC(=O)CCCO AB65249 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.4 B(CCCCC)(O)O AB08098 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.4 B(C\C=C\CN)(O)O AB62237 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.4 B(\C=C\CCC)(O)O AB08112 [1,1,0,0,0,0|2,0,0]=4 70 B9R0.18 C(CC(=O)CCCCl)CCl AB01251 [0,2,0,0,0,0|1,0,1]=4 71 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,2,0,0,0,0|0,0,2]=4 72 B9R0.45 C(COCCOCCO)N AB31123 [0,2,0,0,0,0|1,0,1]=4 73 B7R1.1 C1C=CCC1C=O AB76805 [1,0,0,1,0,0|0,0,2]=4 74 B7R1.1 C1C=CCC1CBr AB76476 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.1 C1C=CCC1CO PB12789 [1,0,0,1,0,0|0,0,0]=2 76 B7R1.1 C1CC(OC1)CI AB24846 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.1 C1CC(OC1)CN AB00408 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.1 C1CC=C(C1)CBr PB30182 [1,0,0,1,0,0|1,0,0]=3 79 B7R1.1 C1CCC(C1)CBr AB50196 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.1 C1CCC(C1)CI AB15507 [1,0,0,1,0,0|1,0,1]=4 81 B7R1.1 C1CCC(C1)CN AB17884 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.1 C1CNCC1CO PB15896 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.1 C1CNCC1CO PB31387 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.1 C1CNC[C@@H]1CO PB12644 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.1 C1CNC[C@@H]1CO PB19010 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.1 C1CNC[C@H]1CO PB31350 [1,0,0,1,0,0|1,0,0]=3 87 B7R1.1 C1CNC[C@H]1CO PB32765 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.1 C1COCC1CBr PB10518 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.1 C1COCC1CCl MB04735 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.1 C1COCC1CI PB23453 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.1 C1COCC1CN PB10526 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.1 C1COCC1CO PB30586 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.1 C1COC[C@@H]1CN PB15453 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.1 C1COC[C@@H]1CO PB30186 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.1 C1COC[C@H]1CN PB18204 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.1 C1COC[C@H]1CO PB34870 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.1 C1C[C@@H](NC1)CO PB21663 [1,0,0,1,0,0|1,0,1]=4 98 B7R1.1 C1C[C@H](NC1)CO PB30520 [1,0,0,1,0,0|1,0,1]=4 99 B7R1.1 CCC1=CN=CC1 AB31265 [1,0,0,1,0,0|1,0,1]=4 100 B7R1.1 CCC1CCCN1 AB12042 [1,0,0,1,0,0|1,0,1]=4 101 B7R1.1 CCC1CCNC1 AB41905 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.1 CC[C@@H]1CCNC1 AB74297 [1,0,0,1,0,0|1,0,1]=4 103 B7R1.3 C1CC(CNC1)O PB27381 [1,0,0,1,0,0|1,0,1]=4 104 B7R1.3 C1CC(COC1)O PB32182 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.3 C1CCNC(C1)O MB03551 [1,0,0,1,0,0|1,0,1]=4 106 B7R1.3 C1CCO[C@@H](C1)N MB06981 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.3 C1CCO[C@H](C1)N MB06978 [1,0,0,1,0,0|1,0,1]=4 108 B7R1.3 C1CNCCC1Cl AB14164 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 C1CNCCC1F AB13264 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 C1CNCCC1F PB24811 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.3 C1CNCCC1N AB11093 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.3 C1CNCCC1S PB26690 [1,0,0,1,0,0|1,1,0]=4 113 B7R1.3 C1COCCC1Br PB24975 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.3 C1COCCC1Cl AB02848 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.3 C1COCCC1I PB13042 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.3 C1COCCC1N AB11128 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.3 C1COCCC1N PB27421 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.3 C1COCCC1O PB11583 [1,0,0,1,0,0|1,0,0]=3 119 B7R1.3 C1CSCCC1N AB32569 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.3 C1C[C@@H](CNC1)O PB26394 [1,0,0,1,0,0|1,0,1]=4 121 B7R1.3 C1C[C@H](CNC1)O PB20930 [1,0,0,1,0,0|1,0,1]=4 122 B7R1.3 C1C[C@H](CNC1)O PB25197 [1,0,0,1,0,0|1,0,1]=4 123 B7R1.3 CC1CCCNC1 AB00557 [1,0,0,1,0,0|1,0,1]=4 124 B7R1.3 CC1CNCCO1 PB23610 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.3 C[C@@H]1CNCCO1 PB14859 [1,0,0,1,0,0|1,0,1]=4 126 B7R1.3 C[C@H]1CNCCO1 PB26597 [1,0,0,1,0,0|1,0,1]=4 127 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [1,0,0,1,0,0|1,0,1]=4 130 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [1,0,0,1,0,0|1,0,1]=4 132 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [1,0,0,1,0,0|1,0,1]=4 133 B7R1.6 C1C(CO1)CCO PB15326 [1,0,0,1,0,0|1,0,1]=4 134 B7R1.6 C1CC(C1)CCN PB23748 [1,0,0,1,0,0|1,0,1]=4 135 B7R1.6 COC=C1COC1 AB76192 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.8 C1CC(=O)C1CO PB37542 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.7 CN1CCC(C1)CCO PB28645 [0,1,0,1,0,0|1,0,1]=4 141 B9R1.8 C1CCC(=CC1)CC#N AB00143 [0,1,0,1,0,0|1,0,1]=4 142 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [0,1,0,1,0,0|0,0,2]=4 143 B9R1.8 C1CCOC(C1)CCN AB28415 [0,1,0,1,0,0|0,0,2]=4 144 B9R1.8 C1COCCC1CCO PB27428 [0,1,0,1,0,0|0,0,2]=4 145 B9R1.8 CCCC1CNCCO1 AB70522 [0,1,0,1,0,0|0,0,2]=4 146 B9R1.8 CNCC1CCCCO1 AB45928 [0,1,0,1,0,0|0,0,2]=4 147 B9R1.8 COCC1CCNCC1 PB18718 [0,1,0,1,0,0|1,0,1]=4 148 B9R1.12 C1C=NC(=N1)CCCN AB55095 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.15 C1C=CC[C@@H]([C@@H]1CN)N AB30948 [0,1,0,1,0,0|1,0,0]=3 150 B9R1.15 C1C=CC[C@H]([C@@H]1CN)N AB30951 [0,1,0,1,0,0|1,0,0]=3 151 B9R1.15 C1C=CC[C@H]([C@@H]1CO)N AB30952 [0,1,0,1,0,0|0,0,0]=2 152 B9R1.15 C1C=CC[C@H]([C@@H]1CO)N AB49838 [0,1,0,1,0,0|0,0,0]=2 153 B9R1.15 C1C=CC[C@H]([C@H]1CO)N AB03899 [0,1,0,1,0,0|0,0,0]=2 154 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O AB23390 [0,1,0,1,0,0|0,0,2]=4 155 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB03960 [0,1,0,1,0,0|0,0,2]=4 156 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB49818 [0,1,0,1,0,0|0,0,2]=4 157 B9R1.15 C1CC[C@H]([C@H](C1)CN)O AB03894 [0,1,0,1,0,0|0,0,2]=4 158 B9R1.15 C1CC[C@H]([C@H](C1)CO)N AB03895 [0,1,0,1,0,0|0,0,2]=4 159 B9R1.15 C1CNC[C@@H]([C@@H]1CO)O PB37859 [0,1,0,1,0,0|1,0,1]=4 160 B9R1.15 C1CNC[C@@H]([C@H]1CO)O PB38900 [0,1,0,1,0,0|1,0,1]=4 161 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.15 CCC1CCCCC1=O AB02693 [0,1,0,1,0,0|1,0,1]=4 163 B9R1.15 CN[C@@H]1CCCC[C@@H]1O AB30960 [0,1,0,1,0,0|0,0,2]=4 164 B9R1.15 CN[C@@H]1CCCC[C@H]1O AB30957 [0,1,0,1,0,0|0,0,2]=4 165 B9R1.15 CN[C@H]1CCCC[C@@H]1O AB43551 [0,1,0,1,0,0|0,0,2]=4 166 B9R1.15 CN[C@H]1CCCC[C@H]1O AB49073 [0,1,0,1,0,0|0,0,2]=4 167 B9R1.49 CN1CCCC(CC1)O PB20925 [0,1,0,1,0,0|1,0,1]=4 168 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [0,1,0,1,0,0|0,0,2]=4 169 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [0,1,0,1,0,0|0,0,2]=4 170 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO CB11831 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO CB12067 [0,1,0,1,0,0|1,0,1]=4 172 B9R1.14 CCC1=C(C=NC1)CC AB43391 [0,1,0,1,0,0|1,0,1]=4 173 B9R1.89 COC1CCCNCC1 PB16681 [0,1,0,1,0,0|1,0,1]=4 174 B9R1.1 C1CC(CCC1CO)O CB11469 [0,1,0,1,0,0|0,0,2]=4 175 B9R1.1 C1[C@@H](CC[C@@H](C1)N)CO PB25585 [0,1,0,1,0,0|0,0,2]=4 176 B9R1.1 C1[C@@H](CC[C@H](C1)N)CO PB15013 [0,1,0,1,0,0|0,0,2]=4 177 B9R1.1 CN1CCC(CC1)CO PB30760 [0,1,0,1,0,0|1,0,1]=4 178 B9R1.1 C[C@@H]1CC[C@H](CN1)CO PB27191 [0,1,0,1,0,0|1,0,1]=4 179 B9R1.11 C1COCC1C(CO)N AB20282 [0,1,0,1,0,0|1,0,1]=4 180 B9R1.118 C1CC(CNC1)(CO)O PB39138 [0,1,0,1,0,0|1,0,1]=4 181 B9R1.118 C1CNCCC1(CO)F PB28680 [0,1,0,1,0,0|1,0,1]=4 182 B9R1.118 C1CNCCC1(CO)O PB28497 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.118 C1COCCC1(CO)F PB21247 [0,1,0,1,0,0|1,0,1]=4 184 B9R1.118 C1COCCC1(CO)N PB27667 [0,1,0,1,0,0|1,0,1]=4 185 B9R1.118 C1CSCCC1(CO)N AB20273 [0,1,0,1,0,0|1,0,1]=4 186 B9R1.118 CC1(CCCNC1)CO PB19791 [0,1,0,1,0,0|1,0,1]=4 187 B9R1.118 CC1(CCCNC1)CO PB29598 [0,1,0,1,0,0|1,0,1]=4 188 B9R1.118 CC1(CCNCC1)CO PB29757 [0,1,0,1,0,0|1,0,1]=4 189 B9R1.118 CC1(CCOCC1)CO PB31694 [0,1,0,1,0,0|1,0,1]=4 190 B9R1.132 CN1C(CCC1=O)CO MB69102 [0,1,0,1,0,0|1,0,1]=4 191 B9R1.6 C1C[C@@H](CC=C1)C(=O)O PB18863 [0,1,0,1,0,0|0,0,1]=3 192 B9R1.6 C1C[C@H](CC=C1)C(=O)O PB29511 [0,1,0,1,0,0|0,0,1]=3 193 B9R1.24 C[C@@]1(CCC[C@H]1CO)N AB42780 [0,1,0,1,0,0|0,0,2]=4 194 B9R1.24 C[C@@]1(CCC[C@H]1CO)N AB49850 [0,1,0,1,0,0|0,0,2]=4 195 B9R1.40 CC1(CNCCC1O)C PB16311 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.148 CC1(CCCNCC1)O PB34852 [0,1,0,1,0,0|1,0,1]=4 197 B9R2.53 C1C2CNCC1C2O PB27312 [0,0,0,2,0,0|1,0,1]=4 198 B9R2.56 C1C2C1(CNC2)CO PB36206 [0,0,0,2,0,0|1,0,1]=4 199 B9R2.65 C1[C@@H]2[C@@H]([C@H]2CO)CN1 PB13342 [0,0,0,2,0,0|1,0,1]=4 200 B9R2.39 C1C[C@@H]2[C@@H](C[C@H]1N2)O PB36484 [0,0,0,2,0,0|1,0,1]=4 201 B9R2.39 C1C[C@@H]2[C@H](C[C@H]1N2)O PB35089 [0,0,0,2,0,0|1,0,1]=4 202 B9R2.3 C1COC2C1CNC2 PB24169 [0,0,0,2,0,0|1,0,1]=4 203 B9R2.3 C1[C@@H]2COC[C@@H]2CN1 AB70847 [0,0,0,2,0,0|1,0,1]=4 204 B9R2.173 C1CNCC12CCO2 PB16773 [0,0,0,2,0,0|1,0,1]=4 205 B9R2.173 C1CNCC12CCO2 PB38333 [0,0,0,2,0,0|1,0,1]=4