0 B6R0.1 CCCC(=N)NN AB56218 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 CCNC(=O)C=C CB10170 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 CCOC(=N)CCl AB60917 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCOC(=N)CO AB60920 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCOC(=O)C#N PB24520 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 CNC(=O)CC#N AB03253 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 COC(=N)CCCl AB61008 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 COC(=O)CC#C AB11822 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.1 COC(=O)\C=C\N AB31601 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 COCC(CO)N AB24949 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 B(CCC)(O)O AB08045 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 C#CCC(=O)O AB11673 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 C(CCl)C(=N)N AB30465 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 C(CO)C(=N)N AB48909 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 C=C(CCCl)I MB13669 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CC(=O)\C=N\O AB00206 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.3 C=C(CO)CO PB20901 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.3 CCC(=N)NN AB56212 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.3 CCC(=O)C=O AB21438 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.3 CCC(=O)NN PB26058 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.3 COC(=O)CN AB01112 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.2 C\C(=C/C(=O)OC)\N AB00926 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.3 COC(=O)CCC=C AB16906 [0,1,0,0,0,0|1,0,1]=3 24 B7R0.3 COC(=O)CCCO AB65249 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.5 CC(C)C(=O)CC#N AB22304 [0,1,0,0,0,0|1,0,1]=3 26 B7R0.5 CC(C)C(CCO)N AB31007 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.5 CCOC(=O)C(=O)N AB00911 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.5 CCOC(=O)C(=S)N PB24589 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.7 CCOC(=O)C#CC AB01182 [0,1,0,0,0,0|0,0,2]=3 30 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.7 CCOC(=O)N=C=S AB00381 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.7 COCC(=O)CC#N AB63823 [0,1,0,0,0,0|1,0,1]=3 33 B7R0.10 CCC(C(=O)OC)N AB16757 [0,1,0,0,0,0|1,0,0]=2 34 B7R0.12 CC\C(=C/OC)\C#N AB77029 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.1 C1CC(OC1)CI AB24846 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.1 C1CC(OC1)CN AB00408 [0,0,0,1,0,0|1,0,2]=4 37 B7R1.1 C1CC=C(C1)CBr PB30182 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.1 C1CCC(C1)CBr AB50196 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.1 C1CCC(C1)CI AB15507 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.1 C1CCC(C1)CN AB17884 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.1 C1C[C@H](NC1)CF PB15907 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.1 C1C[C@H](NC1)CN PB13488 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.1 CCC1=CN=CC1 AB31265 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.1 CCC1=NN=CC1 AB65715 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.1 CCC1CCCN1 AB12042 [0,0,0,1,0,0|1,0,1]=3 48 B7R1.1 CCC1CCNC1 AB41905 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.1 CC[C@@H]1CCNC1 AB74297 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.2 C1C(CNC1=O)N PB17844 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.2 C1CC(CC1N)O PB13684 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [0,0,0,1,0,0|1,0,2]=4 53 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [0,0,0,1,0,0|1,0,2]=4 55 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.2 CN1CCC(=O)C1 PB26542 [0,0,0,1,0,0|1,0,0]=2 59 B7R1.2 CN1CCC(C1)Br AB65769 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.2 CN1CCC(C1)N PB22385 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.2 CN1CCC(C1)O PB32059 [0,0,0,1,0,0|1,0,2]=4 62 B7R1.2 CN1CC[C@@H](C1)N PB14641 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.2 CN1CC[C@H](C1)N PB34450 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.2 CN1CC[C@H](C1)O PB17320 [0,0,0,1,0,0|1,0,2]=4 65 B7R1.3 C1CC(=O)CNC1 AB27650 [0,0,0,1,0,0|1,0,0]=2 66 B7R1.3 C1CC(=O)CNC1 PB26241 [0,0,0,1,0,0|1,0,0]=2 67 B7R1.3 C1CC(=O)COC1 PB27461 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.3 C1CC(=O)CSC1 PB28980 [0,0,0,1,0,0|1,0,0]=2 69 B7R1.3 C1CC(CNC1)F PB33693 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.3 C1CC(CNC1)O PB27381 [0,0,0,1,0,0|1,0,2]=4 71 B7R1.3 C1CC(CNC1)S PB34789 [0,0,0,1,0,0|1,1,1]=4 72 B7R1.3 C1CC(COC1)Br MB04535 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.3 C1CC(COC1)N PB30901 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.3 C1CC(COC1)O PB32182 [0,0,0,1,0,0|1,0,2]=4 75 B7R1.3 C1CCNC(C1)O MB03551 [0,0,0,1,0,0|1,0,2]=4 76 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.3 C1CNC(=O)CN1 PB23229 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.3 C1CNCCC1=O PB32095 [0,0,0,1,0,0|1,0,0]=2 80 B7R1.3 C1CNCCC1Cl AB14164 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.3 C1CNCCC1F AB13264 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.3 C1CNCCC1F PB24811 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.3 C1CNCCC1N AB11093 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.3 C1CNCCC1S PB26690 [0,0,0,1,0,0|1,1,1]=4 85 B7R1.3 C1COC(=O)CN1 AB71646 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.3 C1COCC(=O)N1 PB29100 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.3 C1COCC(=S)N1 AB72718 [0,0,0,1,0,0|2,1,0]=4 88 B7R1.3 C1COCC=C1I AB69543 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.3 C1COCCC1=O PB24536 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.3 C1COCCC1Br PB24975 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.3 C1COCCC1Cl AB02848 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.3 C1COCCC1I PB13042 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.3 C1COCCC1N AB11128 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.3 C1COCCC1N PB27421 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.3 C1COCCC1O PB11583 [0,0,0,1,0,0|1,0,2]=4 96 B7R1.3 C1CSCCC1=O PB25896 [0,0,0,1,0,0|1,0,0]=2 97 B7R1.3 C1CSCCC1N AB32569 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.3 C1C[C@@H](CNC1)F PB24269 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.3 C1C[C@@H](CNC1)N AB15031 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.3 C1C[C@@H](CNC1)O PB26394 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.3 C1C[C@H](CNC1)F PB38654 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.3 C1C[C@H](CNC1)N AB29962 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.3 C1C[C@H](CNC1)O PB20930 [0,0,0,1,0,0|1,0,2]=4 104 B7R1.3 C1C[C@H](CNC1)O PB25197 [0,0,0,1,0,0|1,0,2]=4 105 B7R1.3 CC1CCCNC1 AB00557 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,0,0,1,0,0|2,0,0]=3 108 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,0,0,1,0,0|1,0,2]=4 111 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,0,0,1,0,0|1,0,2]=4 112 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,0,0,1,0,0|1,0,2]=4 113 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,0,0,1,0,0|1,0,2]=4 114 B7R1.6 C1CC(C1)CCN PB23748 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.6 C1CN(C1)CCCl PB37452 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.6 COCC1CCN1 PB36845 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.6 COC[C@@H]1CCN1 PB36728 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.6 COC[C@H]1CCN1 PB28355 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.8 C1CC(=O)C1CO PB37542 [0,0,0,1,0,0|1,0,0]=2 120 B7R1.8 CN1CCC1CN PB37073 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.8 CN1CC[C@@H]1CN PB35830 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.8 CN1CC[C@H]1CN PB38844 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.10 CCN1CC(C1)N PB30345 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.10 CCN1CC(C1)O PB27080 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.22 C1CC1C(=O)C=O AB62322 [0,0,0,1,0,0|1,0,1]=3 126 B7R1.22 C1CC1C(=O)CBr AB45693 [0,0,0,1,0,0|1,0,0]=2 127 B7R1.22 C1CC1C(=O)NN PB14101 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.25 C1CC(C1)(CO)N PB16437 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.25 CC1(CCC1)CN PB11165 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.25 CCC1(CNC1)N PB20652 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.25 CCC1(CNC1)O PB13452 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.25 CCC1(COC1)N PB16859 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.25 CCC1(COC1)N PB38017 [0,0,0,1,0,0|2,0,1]=4 134 B4R0.1 CC(=O)C=O AB00820 [2,0,0,0,0,0|1,0,1]=4 135 B4R0.1 CC(=O)NN AB00888 [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 CC(=O)NO AB01014 [2,0,0,0,0,0|2,0,0]=4 137 B4R0.1 CCC(=N)N AB07703 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.1 C\C=C(/C)\Br AB00105 [2,0,0,0,0,0|1,0,1]=4 139 B4R0.2 C(CN)CCl AB06220 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.2 C=CCCBr AB00123 [2,0,0,0,0,0|1,0,1]=4 141 B4R0.2 C=CCCN AB14698 [2,0,0,0,0,0|1,0,1]=4 142 B4R0.2 C=CCCO AB00288 [2,0,0,0,0,0|1,0,1]=4 143 B6R0.2 CC(C)CC(=N)N AB60903 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.2 CC(C)CC(=S)N AB52630 [1,1,0,0,0,0|1,1,0]=4 145 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.3 CC(CN)C(=O)O AB00933 [1,1,0,0,0,0|2,0,0]=4 147 B6R0.3 CCC(C(=O)O)N AB00928 [1,1,0,0,0,0|1,0,0]=3 148 B6R0.3 CCN(C)C(=O)Cl MB05193 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [1,1,0,0,0,0|2,0,0]=4 150 B6R0.3 C[C@H](CN)C(=O)O AB08204 [1,1,0,0,0,0|2,0,0]=4 151 B6R0.4 C#CCCC(=O)O CB10019 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.4 C=C(CCCCl)I MB13670 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.4 CC(=O)\C=C\OC AB00959 [1,1,0,0,0,0|0,0,2]=4 154 B6R0.4 CN(C)CCCBr AB52731 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.6 CCCNCCC AB02251 [1,1,0,0,0,0|0,0,1]=3 156 B8R0.5 CCOC(=O)CC(=N)N AB29705 [0,2,0,0,0,0|1,0,1]=4 157 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,2,0,0,0,0|1,0,1]=4 158 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [0,2,0,0,0,0|1,0,1]=4 159 B8R0.5 CCOC(=O)CC(F)F AB71794 [0,2,0,0,0,0|1,0,0]=3 160 B8R0.1 CCOC(=O)CN=C=O AB00195 [0,2,0,0,0,0|1,0,1]=4 161 B8R0.3 CCOC(=O)[C@H](CO)N AB46080 [0,2,0,0,0,0|1,0,0]=3 162 B8R0.13 CC(C)(CN)C(=O)OC AB64273 [0,2,0,0,0,0|2,0,0]=4 163 B6R1.2 C1CNCC1=O PB21807 [1,0,0,1,0,0|1,0,0]=3 164 B6R1.2 C1COCC1=O PB17440 [1,0,0,1,0,0|1,0,0]=3 165 B6R1.2 C1CONC1=O MB10654 [1,0,0,1,0,0|2,0,0]=4 166 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,1,0,0|0,0,2]=4 167 B6R1.2 CC1CCCN1 AB44503 [1,0,0,1,0,0|1,0,1]=4 168 B6R1.2 C[C@@H]1CCCN1 AB29488 [1,0,0,1,0,0|1,0,1]=4 169 B6R1.2 C[C@@H]1CCCN1 AB42774 [1,0,0,1,0,0|1,0,1]=4 170 B6R1.2 C[C@H]1CCCN1 AB29489 [1,0,0,1,0,0|1,0,1]=4 171 B6R1.5 C1C(CC1=O)Br PB30412 [1,0,0,1,0,0|1,0,0]=3 172 B6R1.5 C1C(CC1=O)F PB36975 [1,0,0,1,0,0|1,0,0]=3 173 B6R1.5 C1C(CC1=O)N PB20766 [1,0,0,1,0,0|1,0,0]=3 174 B6R1.10 C1CS(=O)(=O)C1 CB10217 [1,0,0,1,0,0|2,0,0]=4 175 B6R1.11 C1CC1C(=S)N AB50595 [1,0,0,1,0,0|1,1,0]=4 176 B6R1.1 C1CNCC=C1 PB15670 [1,0,0,1,0,0|1,0,1]=4 177 B6R1.4 CC1C(CN1)O PB39176 [1,0,0,1,0,0|2,0,0]=4 178 B6R1.6 C1CC(C1)CN PB27388 [1,0,0,1,0,0|1,0,1]=4 179 B6R1.6 C1CNC1CN PB33610 [1,0,0,1,0,0|2,0,0]=4 180 B6R1.6 C1CNC1CO PB21145 [1,0,0,1,0,0|2,0,0]=4 181 B6R1.6 C1CN[C@H]1CO PB13255 [1,0,0,1,0,0|2,0,0]=4 182 B6R1.6 C1COC1CBr PB10565 [1,0,0,1,0,0|2,0,0]=4 183 B6R1.6 C1COC1CI PB32950 [1,0,0,1,0,0|2,0,0]=4 184 B6R1.6 C1COC1CN PB12865 [1,0,0,1,0,0|2,0,0]=4 185 B6R1.6 C1COC1CO PB20918 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.1 C1C(CNC1=O)CN PB10686 [0,1,0,1,0,0|1,0,0]=3 187 B8R1.1 C1C(CNC1=O)CO PB26709 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.1 C1CC(=O)NC1CN AB28123 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [0,1,0,1,0,0|1,0,0]=3 190 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [0,1,0,1,0,0|1,0,0]=3 191 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [0,1,0,1,0,0|1,0,0]=3 192 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [0,1,0,1,0,0|1,0,0]=3 193 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,1,0,1,0,0|1,0,0]=3 194 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [0,1,0,1,0,0|1,0,0]=3 196 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.1 C1[C@H](COC1=O)CF MB19704 [0,1,0,1,0,0|1,0,0]=3 198 B8R1.1 CN1CCC(C1)CN PB23433 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.1 CN1CC[C@@H](C1)CN PB35492 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.1 CN1CC[C@@H](C1)CO PB34858 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.1 CN1CC[C@H](C1)CN PB36038 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.1 CN1CC[C@H](C1)CO PB31861 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.4 C1C(=O)COCC1=O PB14653 [0,1,0,1,0,0|1,0,1]=4 204 B8R1.4 C1C(=O)CSCC1=O PB15832 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [0,1,0,1,0,0|0,0,2]=4 206 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.4 C1CNC(=O)CC1N PB11631 [0,1,0,1,0,0|1,0,0]=3 208 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,1,0,0|0,0,0]=2 210 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,1,0,0|0,0,0]=2 211 B8R1.4 CC1CC(CCN1)O PB10241 [0,1,0,1,0,0|0,0,2]=4 212 B8R1.4 CC1CC(CCO1)O PB22789 [0,1,0,1,0,0|0,0,2]=4 213 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,1,0,1,0,0|1,0,0]=3 214 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,1,0,1,0,0|0,0,0]=2 215 B8R1.4 CN1CCCC(C1)N PB12415 [0,1,0,1,0,0|1,0,1]=4 216 B8R1.4 CN1CCCC(C1)O PB17042 [0,1,0,1,0,0|0,0,2]=4 217 B8R1.4 CN1CCC[C@@H](C1)N PB25450 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.4 CN1CCC[C@@H](C1)N PB28836 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [0,1,0,1,0,0|0,0,2]=4 220 B8R1.4 CN1CCC[C@H](C1)N PB33333 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.4 CN1CCC[C@H](C1)O PB31692 [0,1,0,1,0,0|0,0,2]=4 222 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,1,0,0|0,0,0]=2 223 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,1,0,1,0,0|1,0,0]=3 226 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [0,1,0,1,0,0|0,0,2]=4 227 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,1,0,0|0,0,0]=2 228 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,1,0,1,0,0|1,0,0]=3 229 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [0,1,0,1,0,0|0,0,2]=4 230 B8R1.18 CN1CC(CC1=O)N PB22380 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.40 COC(=O)CC1CC1 PB20704 [0,1,0,1,0,0|1,0,0]=3 232 B8R1.51 C1CC(CC1=O)(F)F AB71425 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.51 C1CS(=O)(=O)CC1N PB12042 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.51 CC1(CCC(C1)N)O PB38754 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.51 CC1(COC(=O)N1)C PB29297 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.83 COC(=O)[C@H]1C[C@@H]1N AB77059 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.2 C1CC(COC1)C=O AB16155 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.2 C1CCC(=CC1)CBr PB28658 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.2 C1CCN(CC1)CCl AB16725 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.2 C1CCNC(C1)C=O AB52540 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.2 C1CCOC(C1)C=O MB05934 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.2 C1CNCCC1C=O AB52543 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.2 C1COCCC1=NO AB55822 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.2 C1COCCC1C=O AB14645 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.2 C1CSCCC1C=O AB14650 [0,1,0,1,0,0|1,0,1]=4 246 B8R1.2 CCC1CNCCN1 AB13949 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.2 CCC1CNCCO1 AB49621 [0,1,0,1,0,0|0,0,2]=4 248 B8R1.2 CCC1COCCN1 AB49617 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.2 COC1=CCOCC1 PB24535 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.3 C1CC(=O)CCC1N AB26267 [0,1,0,1,0,0|0,0,0]=2 252 B8R1.3 C1CC(=O)NCC1N PB22229 [0,1,0,1,0,0|1,0,0]=3 253 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N AB30937 [0,1,0,1,0,0|0,0,2]=4 254 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O PB27420 [0,1,0,1,0,0|0,0,2]=4 255 B8R1.3 C1[C@@H](CC[C@H](C1)O)N AB02731 [0,1,0,1,0,0|0,0,2]=4 256 B8R1.3 C1[C@@H](CC[C@H](C1)O)O AB02551 [0,1,0,1,0,0|0,0,2]=4 257 B8R1.3 CC1CNC(=O)CN1 AB37204 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,1,0,1,0,0|1,0,0]=3 259 B8R1.3 CN1CCC(=CC1)I AB70135 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.3 CN1CCC(CC1)Cl AB01976 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.3 CN1CCC(CC1)N PB32253 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.3 CN1CCC(CC1)O PB18398 [0,1,0,1,0,0|0,0,2]=4 263 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [0,1,0,1,0,0|1,0,0]=3 264 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [0,1,0,1,0,0|1,0,0]=3 265 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,1,0,1,0,0|0,0,0]=2 266 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,1,0,1,0,0|0,0,2]=4 267 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,1,0,1,0,0|0,0,2]=4 268 B8R1.5 C1CC[C@H]([C@@H](C1)N)N AB07531 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,1,0,1,0,0|0,0,2]=4 270 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,1,0,1,0,0|0,0,2]=4 271 B8R1.5 C1CNCC(C1=O)F PB20587 [0,1,0,1,0,0|1,0,0]=3 272 B8R1.5 C1COCC(C1=O)Br PB18064 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.5 C1COCC(C1=O)F PB28362 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,1,0,1,0,0|1,0,0]=3 275 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,1,0,1,0,0|1,0,0]=3 276 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,1,0,1,0,0|1,0,0]=3 277 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,1,0,1,0,0|1,0,0]=3 278 B8R1.5 CC1CCNCC1=O PB36769 [0,1,0,1,0,0|0,0,0]=2 279 B8R1.5 CC1CCNCC1O PB36981 [0,1,0,1,0,0|0,0,2]=4 280 B8R1.5 CC1CNCCC1=O PB23474 [0,1,0,1,0,0|0,0,0]=2 281 B8R1.5 CC1COCCC1=O PB26907 [0,1,0,1,0,0|0,0,0]=2 282 B8R1.5 CN1CCNCC1=O PB24934 [0,1,0,1,0,0|1,0,0]=3 283 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,1,0,1,0,0|1,0,0]=3 284 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,1,0,1,0,0|0,0,2]=4 285 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,1,0,1,0,0|0,0,2]=4 286 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,1,0,1,0,0|0,0,2]=4 287 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,1,0,1,0,0|1,0,0]=3 289 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,1,0,1,0,0|0,0,2]=4 290 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,1,0,1,0,0|0,0,0]=2 292 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,1,0,1,0,0|0,0,0]=2 293 B8R1.22 C1CC(CCNC1)F PB33307 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.22 C1CC(CCNC1)O PB18652 [0,1,0,1,0,0|0,0,2]=4 295 B8R1.22 C1CC(CCOC1)N AB70734 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.22 C1CCNCC(C1)N AB11528 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.22 C1CCNC[C@@H](C1)N PB20876 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,1,0,1,0,0|1,0,0]=3 299 B8R1.22 C1CNCCNC1=O AB07054 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.38 C1CC(C1)C(=O)NN PB29240 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.38 COC(=O)C1CCN1 MB03946 [0,1,0,1,0,0|1,0,0]=3 302 B8R1.38 COC(=O)C1CNC1 CB11044 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.38 COC(=O)C1CNC1 PB17252 [0,1,0,1,0,0|1,0,0]=3 304 B8R1.38 COC(=O)[C@@H]1CCN1 PB15881 [0,1,0,1,0,0|1,0,0]=3 305 B8R1.38 COC(=O)[C@H]1CCN1 PB33618 [0,1,0,1,0,0|1,0,0]=3 306 B8R1.50 C1CN(C(=O)C1N)O AB02803 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.7 CC(C)[C@@H]1CCCN1 AB58448 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.37 C1CC1C(=O)CC#N PB26127 [0,1,0,1,0,0|0,0,1]=3 309 B8R1.37 C1CC1C(CCO)N AB14427 [0,1,0,1,0,0|1,0,1]=4 310 B8R1.54 C1CC1C(=O)C(=O)O AB65215 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.8 C1CC(NC1)CCO CB10162 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.8 C1CC(NC1)CCO PB35354 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.8 C1CC(OC1)CCI AB76593 [0,1,0,1,0,0|0,0,2]=4 314 B8R1.8 C1CC(OC1)CCN AB30605 [0,1,0,1,0,0|0,0,2]=4 315 B8R1.8 C1CCC(C1)CCN AB02350 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.8 CCCC1CCCN1 AB12028 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.8 COC[C@@H]1CCCN1 PB10025 [0,1,0,1,0,0|1,0,1]=4 318 B8R1.8 COC[C@H]1CCCN1 PB15637 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.11 C1C(C(=O)CO1)C#N PB39082 [0,1,0,1,0,0|1,0,1]=4 320 B8R1.11 C1C(C(=O)CS1)C#N PB17090 [0,1,0,1,0,0|1,0,1]=4 321 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,1,0,1,0,0|0,0,2]=4 322 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [0,1,0,1,0,0|1,0,1]=4 323 B8R1.11 CN1CCC[C@@H]1CN PB21275 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.11 CN1CCC[C@@H]1CO PB17412 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.11 CN1CCC[C@H]1CN PB34570 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.72 C1CCS(=O)(=O)NC1 AB17207 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.72 C1CS(=O)(=O)CCN1 PB18693 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.72 C1CS(=O)(=O)CCN1 PB21955 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.60 CCC1(COC1)C=O PB22942 [0,1,0,1,0,0|1,0,1]=4 330 B8R2.34 C1C[C@@H]2C[C@H]1CN2 MB03646 [0,0,0,2,0,0|1,0,1]=4 331 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB19914 [0,0,0,2,0,0|1,0,1]=4 332 B8R2.34 C1[C@H]2N[C@@H](C1)CC2 PB27446 [0,0,0,2,0,0|1,0,1]=4 333 B8R2.55 C1CC2(CC2)NC1 PB38198 [0,0,0,2,0,0|1,0,1]=4 334 B8R2.18 C1C2C1CC(C2)N PB21479 [0,0,0,2,0,0|1,0,1]=4 335 B8R2.42 C1CC2(C1)CCN2 PB19774 [0,0,0,2,0,0|1,0,1]=4