0 B6R0.1 CCCC(=N)NN AB56218 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCOC(=N)CCl AB60917 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCOC(=N)CO AB60920 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 COC(=N)CCCl AB61008 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 COCC(CO)N AB24949 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 B(CCC)(O)O AB08045 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 C(CN)C(F)F AB65227 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 C(CO)C(F)F AB76811 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.2 C(CC#N)CN AB52761 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 COCCON MB08235 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.3 C[C@@H](CO)NC AB31545 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.2 CCC(CC(=O)O)N AB01525 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.3 COC(=O)CCCO AB65249 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.3 C[C@H](CO)OCOC AB53701 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.5 CC(C)C(CCO)N AB31007 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.10 C([C@@H]([C@H](CO)N)N)O MB06933 [0,1,0,0,0,0|3,0,0]=4 18 B7R0.10 C([C@H]([C@@H](CO)N)N)O MB06944 [0,1,0,0,0,0|3,0,0]=4 19 B7R0.10 CCC(C(=O)OC)N AB16757 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.11 CCO[C@@](C)(CO)O AB31299 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.1 C1CC(NC1)C#N PB19916 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.1 C1CC(OC1)CI AB24846 [0,0,0,1,0,0|1,0,0]=2 23 B7R1.1 C1CC(OC1)CN AB00408 [0,0,0,1,0,0|1,0,0]=2 24 B7R1.1 C1CC=C(C1)CBr PB30182 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.1 C1CCC(C1)C=O AB02400 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.1 C1CCC(C1)CBr AB50196 [0,0,0,1,0,0|2,0,0]=3 27 B7R1.1 C1CCC(C1)CI AB15507 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.1 C1CCC(C1)CN AB17884 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.1 C1CNCC1CO PB15896 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.1 C1CNCC1CO PB31387 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.1 C1CNC[C@@H]1CO PB12644 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.1 C1CNC[C@@H]1CO PB19010 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.1 C1CNC[C@H]1CO PB31350 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.1 C1CNC[C@H]1CO PB32765 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.1 C1COCC1CBr PB10518 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.1 C1COCC1CCl MB04735 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.1 C1COCC1CI PB23453 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.1 C1COCC1CN PB10526 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.1 C1COCC1CO PB30586 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.1 C1COC[C@@H]1CN PB15453 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.1 C1COC[C@@H]1CO PB30186 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.1 C1COC[C@H]1CN PB18204 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.1 C1COC[C@H]1CO PB34870 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.1 C1C[C@@H](NC1)C#N PB20041 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.1 C1C[C@@H](NC1)C#N PB30023 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.1 C1C[C@H](NC1)C#N PB29383 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.1 C1C[C@H](NC1)CF PB15907 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.1 C1C[C@H](NC1)CN PB13488 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.1 CCC1CCCN1 AB12042 [0,0,0,1,0,0|1,0,0]=2 52 B7R1.1 CCC1CCNC1 AB41905 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.1 CC[C@@H]1CCNC1 AB74297 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.1 CNC1CCOC1 PB17482 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.1 CN[C@@H]1CCOC1 PB30485 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.1 CN[C@H]1CCOC1 PB11771 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.1 COC1CCNC1 PB31357 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.1 CO[C@@H]1CCNC1 PB20659 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.1 CO[C@@H]1CCNC1 PB26535 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.1 CO[C@H]1CCNC1 PB10788 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.2 C1CC(CC1N)O PB13684 [0,0,0,1,0,0|1,0,0]=2 62 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [0,0,0,1,0,0|1,0,0]=2 63 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [0,0,0,1,0,0|1,0,0]=2 64 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [0,0,0,1,0,0|1,0,0]=2 65 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.2 CN1CCC(=O)C1 PB26542 [0,0,0,1,0,0|1,0,2]=4 68 B7R1.2 CN1CCC(C1)Br AB65769 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.2 CN1CCC(C1)N PB22385 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.2 CN1CCC(C1)O PB32059 [0,0,0,1,0,0|1,0,0]=2 71 B7R1.2 CN1CC[C@@H](C1)N PB14641 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.2 CN1CC[C@H](C1)N PB34450 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.2 CN1CC[C@H](C1)O PB17320 [0,0,0,1,0,0|1,0,0]=2 74 B7R1.3 C1CC(=O)CNC1 AB27650 [0,0,0,1,0,0|1,0,2]=4 75 B7R1.3 C1CC(=O)CNC1 PB26241 [0,0,0,1,0,0|1,0,2]=4 76 B7R1.3 C1CC(=O)COC1 PB27461 [0,0,0,1,0,0|1,0,2]=4 77 B7R1.3 C1CC(=O)CSC1 PB28980 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.3 C1CC(CNC1)F PB33693 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.3 C1CC(CNC1)O PB27381 [0,0,0,1,0,0|1,0,0]=2 80 B7R1.3 C1CC(CNC1)S PB34789 [0,0,0,1,0,0|1,1,0]=3 81 B7R1.3 C1CC(COC1)Br MB04535 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.3 C1CC(COC1)N PB30901 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.3 C1CC(COC1)O PB32182 [0,0,0,1,0,0|1,0,0]=2 84 B7R1.3 C1CCNC(C1)O MB03551 [0,0,0,1,0,0|1,0,0]=2 85 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.3 C1CNCCC1=O PB32095 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.3 C1CNCCC1Cl AB14164 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.3 C1CNCCC1F AB13264 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.3 C1CNCCC1F PB24811 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.3 C1CNCCC1N AB11093 [0,0,0,1,0,0|2,0,0]=3 92 B7R1.3 C1CNCCC1S PB26690 [0,0,0,1,0,0|1,1,0]=3 93 B7R1.3 C1COC(CN1)O CB11808 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.3 C1COCCC1=O PB24536 [0,0,0,1,0,0|1,0,2]=4 95 B7R1.3 C1COCCC1Br PB24975 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.3 C1COCCC1Cl AB02848 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.3 C1COCCC1I PB13042 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.3 C1COCCC1N AB11128 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.3 C1COCCC1N PB27421 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.3 C1COCCC1O PB11583 [0,0,0,1,0,0|1,0,0]=2 101 B7R1.3 C1CSCCC1=O PB25896 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.3 C1CSCCC1N AB32569 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.3 C1C[C@@H](CNC1)F PB24269 [0,0,0,1,0,0|2,0,0]=3 104 B7R1.3 C1C[C@@H](CNC1)N AB15031 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.3 C1C[C@@H](CNC1)O PB26394 [0,0,0,1,0,0|1,0,0]=2 106 B7R1.3 C1C[C@H](CNC1)F PB38654 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.3 C1C[C@H](CNC1)N AB29962 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.3 C1C[C@H](CNC1)O PB20930 [0,0,0,1,0,0|1,0,0]=2 109 B7R1.3 C1C[C@H](CNC1)O PB25197 [0,0,0,1,0,0|1,0,0]=2 110 B7R1.3 CC1CCCNC1 AB00557 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.3 CC1CNCCO1 PB23610 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.3 CC1COCCN1 AB49614 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.3 C[C@@H]1CNCCN1 AB04653 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.3 C[C@H]1CNCCN1 AB04288 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.3 C[C@H]1CNCCN1 AB14223 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.3 C[C@H]1CNCCN1 AB63406 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.3 C[C@H]1COCCN1 AB16412 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,0,0,1,0,0|1,0,0]=2 125 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,0,0,1,0,0|1,0,0]=2 126 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,0,0,1,0,0|1,0,0]=2 127 B7R1.4 C1[C@@H]([C@H](CN1)F)F PB37373 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.4 C1[C@@H]([C@H](CN1)O)O PB16044 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38160 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38162 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.4 C1[C@H]([C@@H](CN1)F)O PB36321 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.4 C1[C@H]([C@@H](CN1)O)O PB26398 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.4 C1[C@H]([C@@H](CO1)N)N PB19676 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.4 C1[C@H]([C@H](CN1)F)F PB36231 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.4 C1[C@H]([C@H](CN1)O)O PB35093 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.4 C1[C@H]([C@H](CO1)N)N PB18249 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.6 C1C(CO1)CCN AB76310 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.6 C1C(CO1)CCO PB15326 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.6 C1CC(C1)CC=O AB49507 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.6 C1CC(C1)CCN PB23748 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.6 C1CN(C1)CCCl PB37452 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.6 CCNC1COC1 PB13879 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.6 CCOC1CNC1 AB30388 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.6 CNCC1COC1 PB36516 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.6 COCC1CCN1 PB36845 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.6 COCC1CNC1 PB23654 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.6 COC[C@@H]1CCN1 PB36728 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.6 COC[C@H]1CCN1 PB28355 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.8 C1CC(=O)C1CO PB37542 [0,0,0,1,0,0|1,0,2]=4 150 B7R1.8 CN1CCC1CN PB37073 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.8 CN1CC[C@@H]1CN PB35830 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.8 CN1CC[C@H]1CN PB38844 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.10 C1C(CC1Cl)CO PB34804 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.10 C1C(CC1F)CN PB38656 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.10 C1C(CC1N)CO PB17688 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.10 C1C(CC1N)CO PB21400 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.10 C1C(CC1O)CN PB13605 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.10 C1[C@@H](C[C@@H]1CN)F PB35344 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB27029 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB35521 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB19477 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB27028 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.10 C1[C@@H](C[C@H]1CN)F PB36542 [0,0,0,1,0,0|3,0,0]=4 164 B7R1.10 C1[C@@H](C[C@H]1CN)O PB11268 [0,0,0,1,0,0|3,0,0]=4 165 B7R1.10 C1[C@@H](C[C@H]1CN)O PB38808 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.10 C1[C@@H](C[C@H]1CO)N PB18381 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.10 C1[C@@H](C[C@H]1CO)N PB34902 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.10 CCN1CC(C1)N PB30345 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.10 CCN1CC(C1)O PB27080 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.10 CNC1CC(C1)O PB36492 [0,0,0,1,0,0|3,0,0]=4 171 B7R1.10 CNC1CN(C1)C PB20386 [0,0,0,1,0,0|3,0,0]=4 172 B7R1.10 CN[C@H]1C[C@@H](C1)O PB25695 [0,0,0,1,0,0|3,0,0]=4 173 B7R1.10 CN[C@H]1C[C@H](C1)O PB35156 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.10 COC1CC(C1)N PB11210 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.10 CO[C@H]1C[C@@H](C1)N PB15524 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.10 CO[C@H]1C[C@@H](C1)N PB36079 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.10 CO[C@H]1C[C@H](C1)N PB16800 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.10 CO[C@H]1C[C@H](C1)N PB37429 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.22 C1CC1C(=O)CBr AB45693 [0,0,0,1,0,0|1,0,2]=4 180 B7R1.25 C#CC1(CNC1)O PB35485 [0,0,0,1,0,0|1,0,2]=4 181 B7R1.25 C#CC1(COC1)O PB19733 [0,0,0,1,0,0|1,0,2]=4 182 B7R1.25 C1C(CN1)(CO)F PB13848 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.25 C1C(CO1)(CBr)F PB28794 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.25 C1C(CO1)(CI)F PB23109 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.25 C1C(CO1)(CN)F PB24340 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.25 C1C(CO1)(CN)O PB27235 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.25 C1C(CO1)(CO)F PB16593 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.25 C1C(CO1)(CO)N PB16909 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.25 C1CC(C1)(CO)N PB16437 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.25 CC1(CCC1)CN PB11165 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.25 CC1(CNC1)CN PB26448 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.25 CC1(CNC1)OC PB25362 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.25 CC1(COC1)CBr PB21817 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.25 CC1(COC1)CCl PB27545 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.25 CC1(COC1)CI PB34619 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.25 CC1(COC1)CN PB32664 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.25 CC1(COC1)CO PB20862 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.25 CC1(COC1)CS PB21164 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.25 CCC1(CNC1)N PB20652 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.25 CCC1(CNC1)O PB13452 [0,0,0,1,0,0|1,0,0]=2 201 B7R1.25 CCC1(COC1)N PB16859 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.25 CCC1(COC1)N PB38017 [0,0,0,1,0,0|2,0,0]=3 203 B4R0.1 B(CC)(O)O AB08033 [2,0,0,0,0,0|2,0,0]=4 204 B4R0.2 C(CN)CCl AB06220 [2,0,0,0,0,0|2,0,0]=4 205 B4R0.2 C=CCCO AB00288 [2,0,0,0,0,0|0,0,2]=4 206 B6R0.2 B(CC(C)C)(O)O AB03722 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.3 B(C(C)CC)(O)O AB25482 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.3 CCC(C(=O)O)N AB00928 [1,1,0,0,0,0|1,0,1]=4 209 B6R0.4 CN(C)CCCBr AB52731 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.5 CC(C)(C)CCI AB29727 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.6 CCCNCCC AB02251 [1,1,0,0,0,0|0,0,0]=2 212 B6R0.6 COCCCON MB19791 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.8 CC[C@@](C)(CO)O AB26212 [1,1,0,0,0,0|1,0,0]=3 214 B6R0.8 CC[C@](C)(CO)O AB26211 [1,1,0,0,0,0|1,0,0]=3 215 B6R0.9 COC(CN)OC AB00930 [1,1,0,0,0,0|2,0,0]=4 216 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,2,0,0,0,0|1,0,1]=4 217 B8R0.24 C[N+](C)(C)CC(CCl)O AB03783 [0,2,0,0,0,0|2,0,0]=4 218 B8R0.22 CCOC(C#N)OCC AB01964 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.22 CCOC(CBr)OCC PB25876 [0,2,0,0,0,0|2,0,0]=4 220 B6R1.2 C1CNCC1F AB27153 [1,0,0,1,0,0|2,0,0]=4 221 B6R1.2 C1CNCC1F PB27633 [1,0,0,1,0,0|2,0,0]=4 222 B6R1.2 C1CNCC1O PB24775 [1,0,0,1,0,0|1,0,0]=3 223 B6R1.2 C1CNC[C@@H]1F AB27158 [1,0,0,1,0,0|2,0,0]=4 224 B6R1.2 C1CNC[C@@H]1F PB23386 [1,0,0,1,0,0|2,0,0]=4 225 B6R1.2 C1CNC[C@@H]1N AB02820 [1,0,0,1,0,0|2,0,0]=4 226 B6R1.2 C1CNC[C@@H]1O PB17129 [1,0,0,1,0,0|1,0,0]=3 227 B6R1.2 C1CNC[C@@H]1O PB18456 [1,0,0,1,0,0|1,0,0]=3 228 B6R1.2 C1CNC[C@H]1F AB27154 [1,0,0,1,0,0|2,0,0]=4 229 B6R1.2 C1CNC[C@H]1F PB20102 [1,0,0,1,0,0|2,0,0]=4 230 B6R1.2 C1CNC[C@H]1N AB02823 [1,0,0,1,0,0|2,0,0]=4 231 B6R1.2 C1CNC[C@H]1O PB30638 [1,0,0,1,0,0|1,0,0]=3 232 B6R1.2 C1CNC[C@H]1O PB32171 [1,0,0,1,0,0|1,0,0]=3 233 B6R1.2 C1COCC1Br PB20333 [1,0,0,1,0,0|2,0,0]=4 234 B6R1.2 C1COCC1I PB14773 [1,0,0,1,0,0|2,0,0]=4 235 B6R1.2 C1COCC1N PB27801 [1,0,0,1,0,0|2,0,0]=4 236 B6R1.2 C1COCC1O PB24525 [1,0,0,1,0,0|1,0,0]=3 237 B6R1.2 C1COC[C@@H]1I PB34863 [1,0,0,1,0,0|2,0,0]=4 238 B6R1.2 C1COC[C@@H]1N PB10514 [1,0,0,1,0,0|2,0,0]=4 239 B6R1.2 C1COC[C@@H]1O PB17096 [1,0,0,1,0,0|1,0,0]=3 240 B6R1.2 C1COC[C@H]1I PB22839 [1,0,0,1,0,0|2,0,0]=4 241 B6R1.2 C1COC[C@H]1N PB18852 [1,0,0,1,0,0|2,0,0]=4 242 B6R1.2 C1COC[C@H]1O PB25950 [1,0,0,1,0,0|1,0,0]=3 243 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,1,0,0|0,0,2]=4 244 B6R1.2 CC1CCCN1 AB44503 [1,0,0,1,0,0|1,0,0]=3 245 B6R1.2 CC1CCNC1 AB41901 [1,0,0,1,0,0|2,0,0]=4 246 B6R1.2 C[C@@H]1CCCN1 AB29488 [1,0,0,1,0,0|1,0,0]=3 247 B6R1.2 C[C@@H]1CCCN1 AB42774 [1,0,0,1,0,0|1,0,0]=3 248 B6R1.2 C[C@@H]1CCNC1 AB29518 [1,0,0,1,0,0|2,0,0]=4 249 B6R1.2 C[C@H]1CCCN1 AB29489 [1,0,0,1,0,0|1,0,0]=3 250 B6R1.2 C[C@H]1CCNC1 AB29522 [1,0,0,1,0,0|2,0,0]=4 251 B6R1.3 C1CC1CCN AB23437 [1,0,0,1,0,0|2,0,0]=4 252 B6R1.3 C1CC1CCN PB11093 [1,0,0,1,0,0|2,0,0]=4 253 B6R1.3 C1CC1CCO PB24555 [1,0,0,1,0,0|2,0,0]=4 254 B6R1.5 C1C(CC1F)N PB22829 [1,0,0,1,0,0|2,0,0]=4 255 B6R1.5 C1C(CC1F)N PB31217 [1,0,0,1,0,0|2,0,0]=4 256 B6R1.5 C1C(CC1N)N PB10638 [1,0,0,1,0,0|2,0,0]=4 257 B6R1.5 C1C(CC1O)N PB17577 [1,0,0,1,0,0|1,0,0]=3 258 B6R1.5 C1[C@@H](C[C@@H]1N)F PB35807 [1,0,0,1,0,0|2,0,0]=4 259 B6R1.5 C1[C@@H](C[C@@H]1N)N PB39058 [1,0,0,1,0,0|2,0,0]=4 260 B6R1.5 C1[C@@H](C[C@@H]1N)O PB10634 [1,0,0,1,0,0|1,0,0]=3 261 B6R1.5 C1[C@@H](C[C@@H]1N)O PB11282 [1,0,0,1,0,0|1,0,0]=3 262 B6R1.5 C1[C@@H](C[C@@H]1O)F PB37280 [1,0,0,1,0,0|1,0,0]=3 263 B6R1.5 C1[C@@H](C[C@H]1N)F PB37634 [1,0,0,1,0,0|2,0,0]=4 264 B6R1.5 C1[C@@H](C[C@H]1N)N PB38862 [1,0,0,1,0,0|2,0,0]=4 265 B6R1.5 C1[C@@H](C[C@H]1N)O PB14636 [1,0,0,1,0,0|1,0,0]=3 266 B6R1.5 C1[C@@H](C[C@H]1N)O PB19576 [1,0,0,1,0,0|1,0,0]=3 267 B6R1.5 C1[C@@H](C[C@H]1O)F PB27240 [1,0,0,1,0,0|1,0,0]=3 268 B6R1.5 CN1CC(C1)N PB23920 [1,0,0,1,0,0|2,0,0]=4 269 B6R1.5 CN1CC(C1)O PB30133 [1,0,0,1,0,0|1,0,0]=3 270 B6R1.8 CS[C@@H]1C[C@H]1N MB69372 [1,0,0,1,0,0|2,0,0]=4 271 B6R1.10 CC1(CNC1)C PB36182 [1,0,0,1,0,0|2,0,0]=4 272 B6R1.10 CC1(CNC1)F PB35243 [1,0,0,1,0,0|2,0,0]=4 273 B6R1.10 CC1(CNC1)N PB18986 [1,0,0,1,0,0|2,0,0]=4 274 B6R1.10 CC1(CNC1)O PB26628 [1,0,0,1,0,0|1,0,0]=3 275 B6R1.10 CC1(COC1)C MB00151 [1,0,0,1,0,0|2,0,0]=4 276 B6R1.10 CC1(COC1)N PB14901 [1,0,0,1,0,0|2,0,0]=4 277 B6R1.10 CC1(COC1)O PB13891 [1,0,0,1,0,0|1,0,0]=3 278 B6R1.11 B(C1CC1)(O)O AB17174 [1,0,0,1,0,0|2,0,0]=4 279 B6R1.4 CC1C(CN1)O PB39176 [1,0,0,1,0,0|2,0,0]=4 280 B6R1.6 C1C(CN1)CO PB34326 [1,0,0,1,0,0|2,0,0]=4 281 B6R1.6 C1C(CO1)CCl MB06442 [1,0,0,1,0,0|2,0,0]=4 282 B6R1.6 C1C(CO1)CI PB11384 [1,0,0,1,0,0|2,0,0]=4 283 B6R1.6 C1C(CO1)CN PB26850 [1,0,0,1,0,0|2,0,0]=4 284 B6R1.6 C1C(CO1)CO PB28641 [1,0,0,1,0,0|2,0,0]=4 285 B6R1.6 C1C(CS1)CN PB19286 [1,0,0,1,0,0|2,0,0]=4 286 B6R1.6 C1CC(C1)CN PB27388 [1,0,0,1,0,0|1,0,0]=3 287 B6R1.6 C1CNC1CN PB33610 [1,0,0,1,0,0|2,0,0]=4 288 B6R1.6 C1CNC1CO PB21145 [1,0,0,1,0,0|2,0,0]=4 289 B6R1.6 C1CN[C@H]1CO PB13255 [1,0,0,1,0,0|2,0,0]=4 290 B6R1.6 C1COC1CBr PB10565 [1,0,0,1,0,0|2,0,0]=4 291 B6R1.6 C1COC1CI PB32950 [1,0,0,1,0,0|2,0,0]=4 292 B6R1.6 C1COC1CN PB12865 [1,0,0,1,0,0|2,0,0]=4 293 B6R1.6 C1COC1CO PB20918 [1,0,0,1,0,0|2,0,0]=4 294 B6R1.6 CNC1COC1 PB25068 [1,0,0,1,0,0|2,0,0]=4 295 B6R1.6 COC1CNC1 PB27751 [1,0,0,1,0,0|2,0,0]=4 296 B6R1.7 C1CC1(CN)O AB21151 [1,0,0,1,0,0|1,0,0]=3 297 B6R1.7 C1CC1(CO)N PB26047 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.1 CN1CCC(C1)CN PB23433 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.1 CN1CC[C@@H](C1)CN PB35492 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.1 CN1CC[C@@H](C1)CO PB34858 [0,1,0,1,0,0|1,0,0]=3 301 B8R1.1 CN1CC[C@H](C1)CN PB36038 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.1 CN1CC[C@H](C1)CO PB31861 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,1,0,0|0,0,2]=4 305 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,1,0,0|0,0,2]=4 306 B8R1.4 CC1CC(CCN1)O PB10241 [0,1,0,1,0,0|0,0,0]=2 307 B8R1.4 CC1CC(CCO1)O PB22789 [0,1,0,1,0,0|0,0,0]=2 308 B8R1.4 CC1COCC(N1)C AB02607 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,1,0,1,0,0|0,0,2]=4 310 B8R1.4 CN1CCCC(C1)N PB12415 [0,1,0,1,0,0|1,0,0]=3 311 B8R1.4 CN1CCCC(C1)O PB17042 [0,1,0,1,0,0|0,0,0]=2 312 B8R1.4 CN1CCC[C@@H](C1)N PB25450 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.4 CN1CCC[C@@H](C1)N PB28836 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [0,1,0,1,0,0|0,0,0]=2 315 B8R1.4 CN1CCC[C@H](C1)N PB33333 [0,1,0,1,0,0|1,0,0]=3 316 B8R1.4 CN1CCC[C@H](C1)O PB31692 [0,1,0,1,0,0|0,0,0]=2 317 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,1,0,0|0,0,2]=4 318 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [0,1,0,1,0,0|1,0,0]=3 319 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.4 C[C@@H]1CNC[C@@H](N1)C PB23510 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.4 C[C@@H]1CNC[C@H](N1)C AB48105 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.4 C[C@@H]1COC[C@@H](N1)C PB22631 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [0,1,0,1,0,0|0,0,0]=2 326 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,1,0,0|0,0,2]=4 327 B8R1.4 C[C@H]1CNC[C@@H](N1)C AB48104 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.4 C[C@H]1COC[C@@H](N1)C MB13620 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [0,1,0,1,0,0|0,0,0]=2 332 B8R1.51 C1CC(CC1N)(F)F PB25527 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.51 C1CC(C[C@@H]1N)(F)F PB38375 [0,1,0,1,0,0|2,0,0]=4 334 B8R1.51 C1CC(C[C@H]1N)(F)F PB38460 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.51 CC1(CCC(C1)N)O PB38754 [0,1,0,1,0,0|1,0,0]=3 336 B8R1.53 CC1(CC(C1)CN)O PB37939 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.53 CC1(CC(O1)CBr)C PB14049 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.53 CC1(CC(O1)CI)C PB24482 [0,1,0,1,0,0|1,0,0]=3 339 B8R1.53 CC1(CC(O1)CN)C PB39159 [0,1,0,1,0,0|1,0,0]=3 340 B8R1.53 CC1(CC(O1)CO)C PB16962 [0,1,0,1,0,0|1,0,0]=3 341 B8R1.53 C[C@]1(C[C@@H](C1)CN)O PB39234 [0,1,0,1,0,0|2,0,0]=4 342 B8R1.53 C[C@]1(C[C@H](C1)CN)O PB37961 [0,1,0,1,0,0|2,0,0]=4 343 B8R1.62 C1C(CC1(CO)N)F PB38719 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.2 C#CC1CCCNC1 PB26666 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.2 C#CC1CCCOC1 PB11321 [0,1,0,1,0,0|0,0,2]=4 346 B8R1.2 C#CC1CCNCC1 PB19413 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.2 C#CC1CCOCC1 PB24300 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.2 C#CC1CCSCC1 PB39036 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.2 C#CC1COCCO1 AB73245 [0,1,0,1,0,0|0,0,2]=4 350 B8R1.2 C1CC(CNC1)C#N AB09048 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.2 C1CC(CNC1)C#N PB31344 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.2 C1CC(CNC1)CN AB17390 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.2 C1CC(CNC1)CO PB21599 [0,1,0,1,0,0|1,0,0]=3 354 B8R1.2 C1CC(COC1)C=O AB16155 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.2 C1CC(COC1)CBr PB14565 [0,1,0,1,0,0|1,0,0]=3 356 B8R1.2 C1CC(COC1)CN PB23481 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.2 C1CC(COC1)CO PB12514 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.2 C1CCN(CC1)CCl AB16725 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.2 C1CCNC(C1)C#N AB13841 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.2 C1CCNC(C1)C=O AB52540 [0,1,0,1,0,0|1,0,1]=4 361 B8R1.2 C1CCOC(C1)C=O MB05934 [0,1,0,1,0,0|1,0,1]=4 362 B8R1.2 C1CCOC(C1)CBr MB00206 [0,1,0,1,0,0|1,0,0]=3 363 B8R1.2 C1CCOC(C1)CN AB28292 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.2 C1CCOC(C1)CO AB00784 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.2 C1CNCCC1C#N PB14665 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.2 C1CNCCC1C=O AB52543 [0,1,0,1,0,0|1,0,1]=4 367 B8R1.2 C1CNCCC1CBr AB52518 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.2 C1CNCCC1CBr MB02967 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.2 C1CNCCC1CF PB14869 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.2 C1CNCCC1CO PB10118 [0,1,0,1,0,0|1,0,0]=3 371 B8R1.2 C1COC(CN1)C#N MB01840 [0,1,0,1,0,0|1,0,1]=4 372 B8R1.2 C1COC(CN1)CN PB15765 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.2 C1COC(CO1)CCl AB10617 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.2 C1COC(CO1)CN AB10620 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.2 C1COCC(N1)CO AB17137 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.2 C1COCCC1=NO AB55822 [0,1,0,1,0,0|1,0,1]=4 377 B8R1.2 C1COCCC1C#N PB20297 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.2 C1COCCC1C=O AB14645 [0,1,0,1,0,0|1,0,1]=4 379 B8R1.2 C1COCCC1CBr PB20063 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.2 C1COCCC1CCl AB71513 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.2 C1COCCC1CI PB24898 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.2 C1COCCC1CN AB14272 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.2 C1COCCC1CN PB27569 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.2 C1COCCC1CO PB18487 [0,1,0,1,0,0|1,0,0]=3 385 B8R1.2 C1COCCC1NN PB16645 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.2 C1COC[C@@H](N1)CN AB71789 [0,1,0,1,0,0|2,0,0]=4 387 B8R1.2 C1COC[C@@H](N1)CO AB29968 [0,1,0,1,0,0|2,0,0]=4 388 B8R1.2 C1CSCCC1C#N PB29580 [0,1,0,1,0,0|2,0,0]=4 389 B8R1.2 C1CSCCC1C=O AB14650 [0,1,0,1,0,0|1,0,1]=4 390 B8R1.2 C1CSCCC1CN PB35740 [0,1,0,1,0,0|2,0,0]=4 391 B8R1.2 C1CSCCC1CO PB28111 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.2 C1C[C@@H](CNC1)C#N PB37391 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.2 C1C[C@H](CNC1)C#N PB37352 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.2 CCC1CNCCN1 AB13949 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.2 CCC1CNCCO1 AB49621 [0,1,0,1,0,0|0,0,0]=2 396 B8R1.2 CCC1COCCN1 AB49617 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.2 CNC1CCNCC1 PB15642 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.2 CNC1CCOCC1 PB29392 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.2 COC1CCCNC1 PB14414 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.2 COC1CCNCC1 PB10390 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.2 COC1CCNCC1 PB34075 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [0,1,0,1,0,0|1,0,0]=3 404 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [0,1,0,1,0,0|1,0,0]=3 405 B8R1.2 CO[C@H]1CCCNC1 PB13690 [0,1,0,1,0,0|1,0,0]=3 406 B8R1.2 CO[C@H]1CCCNC1 PB31836 [0,1,0,1,0,0|1,0,0]=3 407 B8R1.2 CSC1CCNCC1 PB22682 [0,1,0,1,0,0|1,1,0]=4 408 B8R1.3 C1C(OCC(O1)O)O PB11588 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.3 C1CC(=O)CCC1N AB26267 [0,1,0,1,0,0|0,0,2]=4 410 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N AB30937 [0,1,0,1,0,0|0,0,0]=2 411 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O PB27420 [0,1,0,1,0,0|0,0,0]=2 412 B8R1.3 C1[C@@H](CC[C@H](C1)O)N AB02731 [0,1,0,1,0,0|0,0,0]=2 413 B8R1.3 C1[C@@H](CC[C@H](C1)O)O AB02551 [0,1,0,1,0,0|0,0,0]=2 414 B8R1.3 CC1CNC(CO1)C AB55657 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.3 CN1CCC(CC1)Cl AB01976 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.3 CN1CCC(CC1)N PB32253 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.3 CN1CCC(CC1)O PB18398 [0,1,0,1,0,0|0,0,0]=2 418 B8R1.3 C[C@@H]1CN[C@@H](CN1)C AB48053 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.3 C[C@@H]1CN[C@H](CN1)C AB02818 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,1,0,1,0,0|0,0,2]=4 421 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,1,0,1,0,0|0,0,0]=2 422 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,1,0,1,0,0|0,0,0]=2 423 B8R1.5 C1CC[C@H]([C@@H](C1)N)N AB07531 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,1,0,1,0,0|0,0,0]=2 425 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,1,0,1,0,0|0,0,0]=2 426 B8R1.5 C1CNC[C@H]([C@@H]1F)F PB37354 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.5 C1CNC[C@H]([C@@H]1F)O PB30506 [0,1,0,1,0,0|1,0,0]=3 428 B8R1.5 C1CNC[C@H]([C@@H]1O)F PB36818 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.5 C1CNC[C@H]([C@H]1F)F PB38218 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.5 C1CNC[C@H]([C@H]1O)F PB38663 [0,1,0,1,0,0|1,0,0]=3 431 B8R1.5 C1COC[C@@H]([C@@H]1N)O PB28882 [0,1,0,1,0,0|1,0,0]=3 432 B8R1.5 C1COC[C@@H]([C@H]1N)O PB24500 [0,1,0,1,0,0|1,0,0]=3 433 B8R1.5 C1COC[C@@H]([C@H]1O)N PB22997 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.5 C1COC[C@H]([C@@H]1O)N PB31273 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.5 CC1C(NCCN1)C AB36996 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.5 CC1C(OCCN1)C AB72725 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.5 CC1CCNCC1=O PB36769 [0,1,0,1,0,0|0,0,2]=4 438 B8R1.5 CC1CCNCC1O PB36981 [0,1,0,1,0,0|0,0,0]=2 439 B8R1.5 CC1CNCCC1=O PB23474 [0,1,0,1,0,0|0,0,2]=4 440 B8R1.5 CC1COCCC1=O PB26907 [0,1,0,1,0,0|0,0,2]=4 441 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,1,0,1,0,0|0,0,0]=2 442 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,1,0,1,0,0|0,0,0]=2 443 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,1,0,1,0,0|0,0,0]=2 444 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [0,1,0,1,0,0|1,0,0]=3 445 B8R1.5 C[C@@H]1[C@H](NCCN1)C AB36998 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,1,0,1,0,0|0,0,0]=2 447 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [0,1,0,1,0,0|1,0,0]=3 448 B8R1.5 C[C@H]1[C@@H](NCCN1)C AB36997 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.10 CCCOC1CNC1 AB30389 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,1,0,1,0,0|0,0,2]=4 451 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,1,0,1,0,0|0,0,2]=4 452 B8R1.22 C1CC(CCNC1)F PB33307 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.22 C1CC(CCNC1)O PB18652 [0,1,0,1,0,0|0,0,0]=2 454 B8R1.22 C1CC(CCOC1)N AB70734 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.22 C1CCNCC(C1)N AB11528 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.22 C1CCNC[C@@H](C1)N PB20876 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.22 CC1CCNCCN1 PB17623 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.22 C[C@H]1CNCCCN1 AB72341 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.47 COC1CC(C1)CN PB39135 [0,1,0,1,0,0|2,0,0]=4 460 B8R1.47 CO[C@H]1C[C@@H](C1)CN PB37092 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.47 CO[C@H]1C[C@H](C1)CN PB37242 [0,1,0,1,0,0|2,0,0]=4 462 B8R1.52 C#CC1(CCOC1)O PB11497 [0,1,0,1,0,0|0,0,2]=4 463 B8R1.52 C1CNCC1(CF)O PB38621 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.52 C1CNCC1(CO)O PB38183 [0,1,0,1,0,0|1,0,0]=3 465 B8R1.52 C1COCC1(CO)N PB16775 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.52 CC1(CCCO1)CN PB14687 [0,1,0,1,0,0|1,0,0]=3 467 B8R1.52 CC1(CCOC1)CN PB30140 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.52 CC1(OCCO1)CN AB61528 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.52 C[C@@]1(CCCN1)CO PB37364 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.52 C[C@]1(CCCN1)CO PB35769 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.7 C1CC(NC1)C(F)F AB85539 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.7 CC(C)[C@@H]1CCCN1 AB58448 [0,1,0,1,0,0|1,0,0]=3 473 B8R1.7 CC(C)[C@@H]1CCNC1 AB66437 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.7 CC(C)[C@H]1CCNC1 AB66440 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.37 C1CC1C(CCO)N AB14427 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.6 CCOC1CC(C1)N PB35675 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.6 CCO[C@H]1C[C@@H](C1)N PB36228 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.6 CCO[C@H]1C[C@H](C1)N PB37547 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.6 CN1CC(C1)CCO PB13968 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.8 C1CC(NC1)CCO CB10162 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.8 C1CC(NC1)CCO PB35354 [0,1,0,1,0,0|1,0,0]=3 482 B8R1.8 C1CC(OC1)CC#N MB02666 [0,1,0,1,0,0|0,0,1]=3 483 B8R1.8 C1CC(OC1)CC=O AB76318 [0,1,0,1,0,0|0,0,1]=3 484 B8R1.8 C1CC(OC1)CCI AB76593 [0,1,0,1,0,0|0,0,0]=2 485 B8R1.8 C1CC(OC1)CCN AB30605 [0,1,0,1,0,0|0,0,0]=2 486 B8R1.8 C1CCC(C1)CCN AB02350 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.8 C1CCC(C1)CON CB11464 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.8 C1CNCC1CCO PB20322 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.8 C1COCC1CC=O AB75447 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.8 C1COCC1CCI AB75456 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.8 C1COCC1CCN AB45457 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.8 CCCC1CCCN1 AB12028 [0,1,0,1,0,0|1,0,0]=3 493 B8R1.8 CCO[C@@H]1CCNC1 PB10951 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.8 CCO[C@H]1CCNC1 PB29117 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.8 COCC1CCNC1 PB18902 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.8 COC[C@@H]1CCCN1 PB10025 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.8 COC[C@@H]1CCNC1 PB35406 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.8 COC[C@H]1CCCN1 PB15637 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.8 COC[C@H]1CCNC1 PB35853 [0,1,0,1,0,0|2,0,0]=4 500 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.11 CN1CCC[C@@H]1CN PB21275 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.11 CN1CCC[C@@H]1CO PB17412 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.11 CN1CCC[C@H]1CN PB34570 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.11 CO[C@@H]1CNC[C@H]1F PB38222 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.11 CO[C@H]1CNC[C@@H]1O PB22508 [0,1,0,1,0,0|1,0,0]=3 506 B8R1.66 C1C(CO1)(CCO)N PB37308 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.66 CC1(COC1)CCN AB76816 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.66 CC1(COC1)CCO PB30267 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.66 CC1(COC1)CNC PB29547 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.66 COCC1(CNC1)F PB36768 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.48 C1CC(C1CN)(F)F PB39114 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.48 C1CC(C1CO)(F)F PB38589 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.72 C1CC(CNC1)(F)F PB23351 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.72 C1CNCCC1(F)F PB29234 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.72 CC1(CCCCN1)C AB58454 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.72 CC1(CCCNC1)O PB32801 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.72 CC1(CCNCC1)C AB17027 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.72 CC1(CCNCC1)C PB14098 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.72 CC1(CCNCC1)N AB48443 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.72 CC1(CCNCC1)O PB10877 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.72 CC1(CCNCC1)O PB32903 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.72 CC1(CCOCC1)N PB22590 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.60 C1C(CO1)(CN)CO PB29678 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.60 C1C(CO1)(CO)CBr PB31392 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.60 C1C(CO1)(CO)CO PB24665 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.60 C1CC(C1)(CN)CO PB10742 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.60 CCC1(COC1)C=O PB22942 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.60 CCC1(COC1)CN PB32930 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.60 CCC1(COC1)CO PB33836 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.60 COC1(CNC1)CN PB39199 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.60 COC1(COC1)OC PB28447 [0,1,0,1,0,0|2,0,0]=4 532 B8R2.11 C1C2C(C2N)CN1 AB20675 [0,0,0,2,0,0|2,0,0]=4 533 B8R2.11 C1[C@@H]2[C@@H]([C@H]2O)CN1 PB28802 [0,0,0,2,0,0|1,0,0]=3 534 B8R2.22 C1CC2C1CNC2 PB22724 [0,0,0,2,0,0|2,0,0]=4 535 B8R2.34 C1C[C@@H]2C[C@H]1CN2 MB03646 [0,0,0,2,0,0|1,0,0]=3 536 B8R2.34 C1[C@@H]2CN[C@H]1CN2 AB62663 [0,0,0,2,0,0|2,0,0]=4 537 B8R2.34 C1[C@@H]2CN[C@H]1CO2 AB63562 [0,0,0,2,0,0|1,0,0]=3 538 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB19618 [0,0,0,2,0,0|1,0,0]=3 539 B8R2.34 C1[C@@H]2CN[C@H]1CO2 PB35087 [0,0,0,2,0,0|1,0,0]=3 540 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB11680 [0,0,0,2,0,0|1,0,0]=3 541 B8R2.34 C1[C@H]2CN[C@@H]1CO2 PB12929 [0,0,0,2,0,0|1,0,0]=3 542 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB19914 [0,0,0,2,0,0|1,0,0]=3 543 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB27446 [0,0,0,2,0,0|1,0,0]=3 544 B8R2.55 C1CC12CCNC2 PB33559 [0,0,0,2,0,0|2,0,0]=4 545 B8R2.55 C1CC2(CC2)NC1 PB38198 [0,0,0,2,0,0|1,0,0]=3 546 B8R2.18 C1C2C1CC(C2)N PB21479 [0,0,0,2,0,0|1,0,0]=3 547 B8R2.25 C1CNCC2C1C2 PB26945 [0,0,0,2,0,0|2,0,0]=4 548 B8R2.42 C1CC2(C1)CCN2 PB19774 [0,0,0,2,0,0|1,0,0]=3 549 B8R2.42 C1CC2(C1)CNC2 PB10895 [0,0,0,2,0,0|2,0,0]=4 550 B8R2.42 C1CC2(C1)CNC2 PB38842 [0,0,0,2,0,0|2,0,0]=4 551 B8R2.42 C1CNC12COC2 AB66656 [0,0,0,2,0,0|2,0,0]=4 552 B8R2.42 C1CNC12COC2 PB23099 [0,0,0,2,0,0|2,0,0]=4 553 B8R2.42 C1COC12CNC2 PB19580 [0,0,0,2,0,0|1,0,0]=3