0 B6R0.4 C#CCCC(=O)O CB10019 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 C=C(CCCCl)I MB13670 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 CC(=O)\C=C\OC AB00959 [0,0,0,0,0,0|0,1,2]=3 3 B6R0.4 CN(C)CCCBr AB52731 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.1 B(CCC)(O)O AB08045 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 C#CCC(=O)O AB11673 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.1 C(CCl)C(=N)N AB30465 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 C(CO)C(=N)N AB48909 [1,0,0,0,0,0|2,1,0]=4 8 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [1,0,0,0,0,0|2,1,0]=4 9 B5R0.1 C=C(CCCl)I MB13669 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 CC(=O)\C=N\O AB00206 [1,0,0,0,0,0|1,1,1]=4 11 B5R0.2 COCCON MB08235 [1,0,0,0,0,0|2,1,0]=4 12 B7R0.2 CCC(CC(=O)O)N AB01525 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,1,0,0,0,0|0,1,2]=4 14 B7R0.3 COC(=O)CCC=C AB16906 [0,1,0,0,0,0|1,0,1]=3 15 B7R0.3 COC(=O)CCCO AB65249 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.6 CC(=O)CNC(=O)C AB02398 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.6 CC(=O)NCC(=O)O AB00351 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.8 COCCS(=O)(=O)Cl AB56111 [0,1,0,0,0,0|2,1,0]=4 25 B7R1.2 C1C(CNC1=O)N PB17844 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.2 CN1CCC(=O)C1 PB26542 [0,0,0,1,0,0|1,0,0]=2 30 B7R1.2 CN1CCC(C1)Br AB65769 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.2 CN1CCC(C1)N PB22385 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.2 CN1CCC(C1)O PB32059 [0,0,0,1,0,0|1,0,2]=4 33 B7R1.2 CN1CC[C@@H](C1)N PB14641 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.2 CN1CC[C@H](C1)N PB34450 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.2 CN1CC[C@H](C1)O PB17320 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.3 C1CC(=O)CNC1 AB27650 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.3 C1CC(=O)CNC1 PB26241 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 C1CC(=O)COC1 PB27461 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.3 C1CC(=O)CSC1 PB28980 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.3 C1CNC(=O)CN1 PB23229 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.3 C1CNCCC1=O PB32095 [0,0,0,1,0,0|1,0,0]=2 42 B7R1.3 C1CNCCC1Cl AB14164 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.3 C1CNCCC1F AB13264 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.3 C1CNCCC1F PB24811 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.3 C1CNCCC1N AB11093 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.3 C1CNCCC1S PB26690 [0,0,0,1,0,0|1,1,1]=4 47 B7R1.3 C1COC(=O)CN1 AB71646 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.3 C1COCC(=O)N1 PB29100 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.3 C1COCC=C1I AB69543 [0,0,0,1,0,0|1,1,1]=4 50 B7R1.3 C1COCCC1=O PB24536 [0,0,0,1,0,0|0,1,0]=2 51 B7R1.3 C1COCCC1Br PB24975 [0,0,0,1,0,0|1,1,1]=4 52 B7R1.3 C1COCCC1Cl AB02848 [0,0,0,1,0,0|1,1,1]=4 53 B7R1.3 C1COCCC1I PB13042 [0,0,0,1,0,0|1,1,1]=4 54 B7R1.3 C1COCCC1N AB11128 [0,0,0,1,0,0|1,1,1]=4 55 B7R1.3 C1COCCC1N PB27421 [0,0,0,1,0,0|1,1,1]=4 56 B7R1.3 C1COCCC1O PB11583 [0,0,0,1,0,0|0,1,2]=4 57 B7R1.3 C1CSCCC1=O PB25896 [0,0,0,1,0,0|0,0,0]=1 58 B7R1.3 C1CSCCC1N AB32569 [0,0,0,1,0,0|1,0,1]=3 59 B7R1.10 C1C(CC1=O)C#N PB12223 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.10 C1C(CC1=O)CBr PB27115 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.10 C1C(CC1=O)CCl PB28331 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.10 C1C(CC1=O)CN PB21511 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.10 C1C(CC1=O)CO PB17805 [0,0,0,1,0,0|2,0,0]=3 64 B7R1.10 C=C1CC(C1)C#N PB19908 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.10 CNC1CC(C1)O PB36492 [0,0,0,1,0,0|1,0,2]=4 66 B7R1.10 CNC1CN(C1)C PB20386 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.10 CN[C@H]1C[C@@H](C1)O PB25695 [0,0,0,1,0,0|1,0,2]=4 68 B7R1.10 CN[C@H]1C[C@H](C1)O PB35156 [0,0,0,1,0,0|1,0,2]=4 69 B7R1.10 COC1CC(C1)N PB11210 [0,0,0,1,0,0|1,1,1]=4 70 B7R1.10 CO[C@H]1C[C@@H](C1)N PB15524 [0,0,0,1,0,0|1,1,1]=4 71 B7R1.10 CO[C@H]1C[C@@H](C1)N PB36079 [0,0,0,1,0,0|1,1,1]=4 72 B7R1.10 CO[C@H]1C[C@H](C1)N PB16800 [0,0,0,1,0,0|1,1,1]=4 73 B7R1.10 CO[C@H]1C[C@H](C1)N PB37429 [0,0,0,1,0,0|1,1,1]=4 74 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.14 CC1(CCNC1)C PB14755 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.14 CC1(CCNC1)O PB19348 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.14 CC1(CCOC1)N PB13539 [0,0,0,1,0,0|1,1,1]=4 79 B7R1.18 C1C(CN1)C(=O)N PB14800 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.18 C1C(CN1)C(=O)N PB22567 [0,0,0,1,0,0|2,0,0]=3 81 B7R1.18 C1C(CN1)C(=O)O PB12129 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.18 C1C(CO1)C(=O)O PB18896 [0,0,0,1,0,0|1,1,0]=3 83 B7R1.18 C1CC(C1)C(=N)N PB21224 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.18 C1CC(C1)[N+](=O)[O-] CB11721 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.18 C1CN(C1)C(=O)O AB16585 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.18 C1CNC1C(=O)N MB03936 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.18 C1CNC1C(=O)O PB12060 [0,0,0,1,0,0|3,0,0]=4 88 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [0,0,0,1,0,0|3,0,0]=4 89 B7R1.18 C1COC1C(=O)O PB26385 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.18 CC(C1CCC1)O CB10183 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.18 CN(C)C1CNC1 PB29633 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.20 C1CC1CC(=N)N AB49225 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.20 C1CC1CC(=O)O PB21648 [0,0,0,1,0,0|2,0,0]=3 94 B4R0.1 CC(=O)C=O AB00820 [2,0,0,0,0,0|0,1,1]=4 95 B4R0.1 CC(=O)NN AB00888 [2,0,0,0,0,0|2,0,0]=4 96 B4R0.1 CC(=O)NO AB01014 [2,0,0,0,0,0|1,1,0]=4 97 B4R0.1 CCC(=N)N AB07703 [2,0,0,0,0,0|2,0,0]=4 98 B4R0.1 C\C=C(/C)\Br AB00105 [2,0,0,0,0,0|1,0,1]=4 99 B4R0.2 C=CCCBr AB00123 [2,0,0,0,0,0|1,0,1]=4 100 B4R0.2 C=CCCN AB14698 [2,0,0,0,0,0|1,0,1]=4 101 B4R0.2 C=CCCO AB00288 [2,0,0,0,0,0|0,1,1]=4 102 B6R0.1 CCCC(=N)NN AB56218 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.1 CCNC(=O)C=C CB10170 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.1 CCOC(=N)CCl AB60917 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.1 CCOC(=N)CO AB60920 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.1 CCOC(=O)C#N PB24520 [1,1,0,0,0,0|1,0,1]=4 107 B6R0.1 CNC(=O)CC#N AB03253 [1,1,0,0,0,0|1,0,1]=4 108 B6R0.1 COC(=N)CCCl AB61008 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.1 COC(=O)CC#C AB11822 [1,1,0,0,0,0|0,0,2]=4 110 B6R0.2 CC(C)CC(=N)N AB60903 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.2 CC(C)CC(=S)N AB52630 [1,1,0,0,0,0|1,1,0]=4 112 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [1,1,0,0,0,0|1,0,0]=3 113 B6R0.3 CC(CN)C(=O)O AB00933 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.3 CCC(C(=O)O)N AB00928 [1,1,0,0,0,0|1,0,0]=3 115 B6R0.3 CCN(C)C(=O)Cl MB05193 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.3 C[C@H](CN)C(=O)O AB08204 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.6 CCCNCCC AB02251 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.6 COCCN=C=O AB50988 [1,1,0,0,0,0|0,1,1]=4 120 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [0,2,0,0,0,0|2,0,0]=4 121 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,2,0,0,0,0|2,0,0]=4 122 B8R0.16 CC(=O)CC(C#N)C#N AB23473 [0,2,0,0,0,0|2,0,0]=4 123 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.12 CCCC(C)(C(=O)O)N AB12001 [0,2,0,0,0,0|2,0,0]=4 125 B8R0.12 CCC[C@@](C)(C(=O)O)N AB09816 [0,2,0,0,0,0|2,0,0]=4 126 B8R0.12 CCC[C@](C)(C(=O)O)N AB21888 [0,2,0,0,0,0|2,0,0]=4 127 B8R0.12 COCC(C(=O)O)(F)F PB38464 [0,2,0,0,0,0|1,1,0]=4 128 B6R1.2 C1CNCC1=O PB21807 [1,0,0,1,0,0|1,0,0]=3 129 B6R1.2 C1COCC1=O PB17440 [1,0,0,1,0,0|0,1,0]=3 130 B6R1.2 C1CONC1=O MB10654 [1,0,0,1,0,0|1,1,0]=4 131 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,1,0,0|0,0,2]=4 132 B6R1.2 CC1CCCN1 AB44503 [1,0,0,1,0,0|1,0,1]=4 133 B6R1.2 C[C@@H]1CCCN1 AB29488 [1,0,0,1,0,0|1,0,1]=4 134 B6R1.2 C[C@@H]1CCCN1 AB42774 [1,0,0,1,0,0|1,0,1]=4 135 B6R1.2 C[C@H]1CCCN1 AB29489 [1,0,0,1,0,0|1,0,1]=4 136 B6R1.5 C1C(CC1=O)Br PB30412 [1,0,0,1,0,0|1,0,0]=3 137 B6R1.5 C1C(CC1=O)F PB36975 [1,0,0,1,0,0|1,0,0]=3 138 B6R1.5 C1C(CC1=O)N PB20766 [1,0,0,1,0,0|1,0,0]=3 139 B6R1.8 CS[C@@H]1C[C@H]1N MB69372 [1,0,0,1,0,0|1,0,1]=4 140 B6R1.10 C1CS(=O)(=O)C1 CB10217 [1,0,0,1,0,0|2,0,0]=4 141 B6R1.11 C1CC1C(=S)N AB50595 [1,0,0,1,0,0|1,1,0]=4 142 B6R1.1 C1CNCC=C1 PB15670 [1,0,0,1,0,0|1,0,1]=4 143 B6R1.6 C1C(CO1)C=O AB76630 [1,0,0,1,0,0|0,1,0]=3 144 B6R1.6 C1C(CS1)CN PB19286 [1,0,0,1,0,0|1,0,1]=4 145 B6R1.6 CNC1COC1 PB25068 [1,0,0,1,0,0|1,1,0]=4 146 B6R1.6 COC1CNC1 PB27751 [1,0,0,1,0,0|1,1,0]=4 147 B8R1.1 C1C(CNC1=O)CN PB10686 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.1 C1C(CNC1=O)CO PB26709 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.1 C1CC(=O)NC1CN AB28123 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.1 C1[C@H](COC1=O)CF MB19704 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.4 C1C(=O)COCC1=O PB14653 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.4 C1C(=O)CSCC1=O PB15832 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.4 C1CNC(=O)CC1N PB11631 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,1,0,1,0,0|0,1,0]=3 166 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,1,0,1,0,0|0,1,0]=3 169 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,1,0,1,0,0|0,1,0]=3 171 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.34 C1C(CN1)CC(=O)O PB17729 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.34 C1C(CO1)CC(=O)O PB15407 [0,1,0,1,0,0|1,1,0]=4 174 B8R1.34 CC(=O)NC1CNC1 PB23547 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.34 CC(=O)SC1CNC1 PB19657 [0,1,0,1,0,0|1,0,0]=3 176 B8R1.40 COC(=O)CC1CC1 PB20704 [0,1,0,1,0,0|1,0,0]=3 177 B8R1.51 C1CC(CC1=O)(F)F AB71425 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.83 COC(=O)[C@H]1C[C@@H]1N AB77059 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.2 C#CC1CCSCC1 PB39036 [0,1,0,1,0,0|1,0,1]=4 180 B8R1.2 C1CCC(=CC1)CBr PB28658 [0,1,0,1,0,0|2,0,0]=4 181 B8R1.2 C1CNCCC1C=O AB52543 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.2 C1COCCC1=NO AB55822 [0,1,0,1,0,0|0,1,1]=4 183 B8R1.2 C1COCCC1C=O AB14645 [0,1,0,1,0,0|0,1,1]=4 184 B8R1.2 C1CSCCC1C#N PB29580 [0,1,0,1,0,0|1,0,1]=4 185 B8R1.2 C1CSCCC1C=O AB14650 [0,1,0,1,0,0|0,0,1]=3 186 B8R1.2 C1CSCCC1CN PB35740 [0,1,0,1,0,0|1,0,1]=4 187 B8R1.2 C1CSCCC1CO PB28111 [0,1,0,1,0,0|0,0,2]=4 188 B8R1.2 COC1=CCOCC1 PB24535 [0,1,0,1,0,0|1,1,0]=4 189 B8R1.3 C1CC(=O)CCC1N AB26267 [0,1,0,1,0,0|1,0,0]=3 190 B8R1.3 C1CC(=O)NCC1N PB22229 [0,1,0,1,0,0|2,0,0]=4 191 B8R1.3 CC1CNC(=O)CN1 AB37204 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.3 CN1CCC(=CC1)I AB70135 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.5 C1CNCC(C1=O)F PB20587 [0,1,0,1,0,0|1,0,0]=3 198 B8R1.5 C1COCC(C1=O)Br PB18064 [0,1,0,1,0,0|0,1,0]=3 199 B8R1.5 C1COCC(C1=O)F PB28362 [0,1,0,1,0,0|0,1,0]=3 200 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.5 CC1CCNCC1=O PB36769 [0,1,0,1,0,0|1,0,1]=4 203 B8R1.5 CC1CNCCC1=O PB23474 [0,1,0,1,0,0|1,0,0]=3 204 B8R1.5 CC1COCCC1=O PB26907 [0,1,0,1,0,0|0,1,0]=3 205 B8R1.5 CN1CCNCC1=O PB24934 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,1,0,1,0,0|1,0,0]=3 207 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,1,0,1,0,0|0,1,0]=3 208 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,1,0,1,0,0|2,0,0]=4 209 B8R1.22 C1CNCCNC1=O AB07054 [0,1,0,1,0,0|1,0,0]=3 210 B8R1.38 C1CC(C1)C(=O)NN PB29240 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.38 COC(=O)C1CCN1 MB03946 [0,1,0,1,0,0|2,0,0]=4 212 B8R1.38 COC(=O)C1CNC1 CB11044 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.38 COC(=O)C1CNC1 PB17252 [0,1,0,1,0,0|1,0,0]=3 214 B8R1.38 COC(=O)[C@@H]1CCN1 PB15881 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.38 COC(=O)[C@H]1CCN1 PB33618 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.7 C1C=CCC1C(=O)O PB14124 [0,1,0,1,0,0|2,0,0]=4 217 B8R1.7 C1CCC(C1)C(=O)O AB00138 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.7 C1CNCC1C(=O)N PB11736 [0,1,0,1,0,0|2,0,0]=4 219 B8R1.7 C1CNCC1C(=O)N PB32691 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.7 C1CNCC1C(=O)O PB19915 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [0,1,0,1,0,0|2,0,0]=4 224 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.7 C1COCC1C(=O)N PB20686 [0,1,0,1,0,0|1,1,0]=4 227 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [0,1,0,1,0,0|1,1,0]=4 228 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [0,1,0,1,0,0|1,1,0]=4 229 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.7 C1[C@@H](NCS1)C(=O)O AB03779 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.72 C1CS(=O)(=O)CCN1 PB18693 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.72 C1CS(=O)(=O)CCN1 PB21955 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.23 C1C(CC1=O)C(=O)O PB20916 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.23 C1C(CC1Cl)C(=O)O PB13057 [0,1,0,1,0,0|2,0,0]=4 237 B8R1.23 C1C(CC1F)C(=O)O PB20399 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.23 C1C(CC1O)C(=O)O PB26416 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB12385 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB25257 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O PB34748 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB21941 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB31884 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.23 C=C1CC(C1)C(=O)O PB25975 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.23 CC(=O)N1CC(C1)N PB34955 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.23 CC(=O)N1CC(C1)O PB10405 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.23 CC1CC(C1)C(=O)O PB21154 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.23 CN1CC(C1)C(=O)O PB25405 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [0,1,0,1,0,0|2,0,0]=4 251 B8R1.54 C1CC1C(C(=O)O)N CB11349 [0,1,0,1,0,0|2,0,0]=4 252 B8R1.78 C1C(CN1)(C(=O)O)F PB37679 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.78 C1C(CN1)(C(=O)O)N PB15076 [0,1,0,1,0,0|2,0,0]=4 254 B8R1.78 C1C(CO1)(C(=O)O)N PB22638 [0,1,0,1,0,0|1,1,0]=4 255 B8R1.78 C1C(CS1)(C(=O)O)N PB19288 [0,1,0,1,0,0|1,0,0]=3 256 B8R1.78 C1CC(C1)(C(=O)O)N PB32216 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.78 CC(=O)C1(COC1)C PB19706 [0,1,0,1,0,0|0,1,0]=3 258 B8R1.78 CC1(CCC1)C(=O)O PB11149 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.78 CC1(COC1)C(=O)O PB28060 [0,1,0,1,0,0|1,1,0]=4 260 B8R1.77 CC(=O)C1CC1(F)F AB85494 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.77 CC1(CC1C(=O)O)C AB21127 [0,1,0,1,0,0|2,0,0]=4 262 B8R1.55 CS(=O)(=O)C1CNC1 PB22554 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.55 CS(=O)(=O)C1CNC1 PB27313 [0,1,0,1,0,0|2,0,0]=4 264 B8R2.66 C1C2C1(C2)C(=O)O PB24438 [0,0,0,2,0,0|2,0,0]=4