0 B4R0.2 C#CCCN AB55798 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.2 C(=C\O)/C#N AB85343 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.2 C(CN)CCl AB06220 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.2 C=CCCBr AB00123 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 C=CCCN AB14698 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.2 C=CCCO AB00288 [0,0,0,0,0,0|1,0,1]=2 6 B3R0.1 C(CCl)N AB03778 [1,0,0,0,0,0|2,0,0]=3 7 B3R0.1 C\C=C/I AB73504 [1,0,0,0,0,0|1,0,2]=4 8 B3R0.1 C\C=C\Br AB00109 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 B(CCC)(O)O AB08045 [0,1,0,0,0,0|2,0,0]=3 10 B5R0.1 B(\C=C\C)(O)O AB11274 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.1 C#CCC(=O)O AB11673 [0,1,0,0,0,0|1,0,2]=4 12 B5R0.1 C(CCl)C(=N)N AB30465 [0,1,0,0,0,0|3,0,0]=4 13 B5R0.1 C(CN)C(F)F AB65227 [0,1,0,0,0,0|3,0,0]=4 14 B5R0.1 C(CO)C(=N)N AB48909 [0,1,0,0,0,0|2,0,0]=3 15 B5R0.1 C(CO)C(F)F AB76811 [0,1,0,0,0,0|2,0,0]=3 16 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [0,1,0,0,0,0|2,0,0]=3 17 B5R0.1 C=C(CCCl)I MB13669 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(=O)\C=N\O AB00206 [0,1,0,0,0,0|2,0,1]=4 19 B5R0.2 C(CBr)N=C=O AB04619 [0,1,0,0,0,0|2,0,1]=4 20 B5R0.2 C(CC#N)CN AB52761 [0,1,0,0,0,0|2,0,1]=4 21 B5R0.2 C(CCl)N=C=O AB00198 [0,1,0,0,0,0|2,0,1]=4 22 B5R0.2 C(\C=C\Cl)ON AB44940 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.2 COCCON MB08235 [0,1,0,0,0,0|0,1,0]=2 24 B5R0.3 C=C(CO)CO PB20901 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.3 COC(=O)CN AB01112 [0,1,0,0,0,0|1,1,1]=4 26 B5R0.3 CSC(=N)NN AB01522 [0,1,0,0,0,0|2,0,1]=4 27 B5R0.3 CS\C(=N/N)\N AB06574 [0,1,0,0,0,0|2,0,1]=4 28 B5R0.3 C[C@@H](CO)NC AB31545 [0,1,0,0,0,0|1,0,0]=2 29 B5R1.2 C1C(=O)CN1 PB32275 [0,0,0,1,0,0|1,0,2]=4 30 B5R1.2 C1C(=O)CO1 PB20352 [0,0,0,1,0,0|0,1,2]=4 31 B5R1.2 C1C(=O)CS1 PB29880 [0,0,0,1,0,0|0,0,2]=3 32 B5R1.2 C1C(CN1)N PB22346 [0,0,0,1,0,0|2,0,0]=3 33 B5R1.2 C1C(CN1)O PB18565 [0,0,0,1,0,0|1,0,0]=2 34 B5R1.2 C1C(CN1)S PB18372 [0,0,0,1,0,0|1,1,0]=3 35 B5R1.2 C1C(CO1)Br PB32639 [0,0,0,1,0,0|1,1,0]=3 36 B5R1.2 C1C(CO1)Cl PB33445 [0,0,0,1,0,0|1,1,0]=3 37 B5R1.2 C1C(CO1)F AB71732 [0,0,0,1,0,0|1,1,0]=3 38 B5R1.2 C1C(CO1)I PB20276 [0,0,0,1,0,0|1,1,0]=3 39 B5R1.2 C1C(CO1)N MB07029 [0,0,0,1,0,0|1,1,0]=3 40 B5R1.2 C1C(CO1)N PB31297 [0,0,0,1,0,0|1,1,0]=3 41 B5R1.2 C1C(CO1)O PB25111 [0,0,0,1,0,0|0,1,0]=2 42 B5R1.2 C1C(CO1)S PB31940 [0,0,0,1,0,0|0,2,0]=3 43 B5R1.2 C1C(CS1)N PB11400 [0,0,0,1,0,0|1,0,0]=2 44 B5R1.2 CC1CNC1 PB16157 [0,0,0,1,0,0|2,0,0]=3 45 B5R1.3 CNC1CC1 PB16260 [0,0,0,1,0,0|2,0,0]=3 46 B4R0.1 B(CC)(O)O AB08033 [1,1,0,0,0,0|1,0,0]=3 47 B4R0.1 C(C(=N)N)O AB12726 [1,1,0,0,0,0|1,0,1]=4 48 B4R0.1 C(C(=N)N)O AB21804 [1,1,0,0,0,0|1,0,1]=4 49 B4R0.1 CC(=O)NO AB01014 [1,1,0,0,0,0|1,0,1]=4 50 B4R0.1 CCC(=N)N AB07703 [1,1,0,0,0,0|1,0,1]=4 51 B4R0.1 C\C(=N\O)\N AB06530 [1,1,0,0,0,0|1,0,1]=4 52 B4R0.1 C\C=C(/C)\Br AB00105 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.1 CCOC(=N)CO AB60920 [0,2,0,0,0,0|0,1,1]=4 54 B6R0.1 COC(=N)CCCl AB61008 [0,2,0,0,0,0|1,1,0]=4 55 B6R0.1 COCC(CO)N AB24949 [0,2,0,0,0,0|0,1,0]=3 56 B6R0.2 B(CC(C)C)(O)O AB03722 [0,2,0,0,0,0|2,0,0]=4 57 B6R0.3 B(C(C)CC)(O)O AB25482 [0,2,0,0,0,0|2,0,0]=4 58 B6R0.3 CCC(C(=O)O)N AB00928 [0,2,0,0,0,0|1,0,1]=4 59 B6R0.4 C#CCCC(=O)O CB10019 [0,2,0,0,0,0|1,0,1]=4 60 B6R0.4 CN(C)CCCBr AB52731 [0,2,0,0,0,0|2,0,0]=4 61 B6R0.5 C(CO)C(F)(F)F AB04522 [0,2,0,0,0,0|2,0,0]=4 62 B6R0.5 CC(C)(C)CCI AB29727 [0,2,0,0,0,0|2,0,0]=4 63 B6R0.5 CNCC(F)(F)F AB45377 [0,2,0,0,0,0|2,0,0]=4 64 B6R0.6 CCCNCCC AB02251 [0,2,0,0,0,0|2,0,0]=4 65 B6R0.6 COCCCON MB19791 [0,2,0,0,0,0|0,1,0]=3 66 B6R0.6 COCCN=C=O AB50988 [0,2,0,0,0,0|0,1,1]=4 67 B6R0.8 CC(C)(CO)OC CB11973 [0,2,0,0,0,0|0,1,0]=3 68 B6R0.8 CC[C@@](C)(CO)O AB26212 [0,2,0,0,0,0|1,0,0]=3 69 B6R0.8 CC[C@](C)(CO)O AB26211 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.9 COC(CN)OC AB00930 [0,2,0,0,0,0|1,1,0]=4 71 B4R1.1 C1CNC1 PB33850 [1,0,0,1,0,0|1,0,0]=3 72 B6R1.2 C1C=C(CO1)I AB84905 [0,1,0,1,0,0|1,0,1]=4 73 B6R1.2 C1C=CCC1N CB10532 [0,1,0,1,0,0|2,0,0]=4 74 B6R1.2 C1CNCC1=O PB21807 [0,1,0,1,0,0|1,0,1]=4 75 B6R1.2 C1CNCC1F AB27153 [0,1,0,1,0,0|2,0,0]=4 76 B6R1.2 C1CNCC1F PB27633 [0,1,0,1,0,0|2,0,0]=4 77 B6R1.2 C1CNCC1O PB24775 [0,1,0,1,0,0|1,0,0]=3 78 B6R1.2 C1CNC[C@@H]1F AB27158 [0,1,0,1,0,0|2,0,0]=4 79 B6R1.2 C1CNC[C@@H]1F PB23386 [0,1,0,1,0,0|2,0,0]=4 80 B6R1.2 C1CNC[C@@H]1N AB02820 [0,1,0,1,0,0|2,0,0]=4 81 B6R1.2 C1CNC[C@@H]1O PB17129 [0,1,0,1,0,0|1,0,0]=3 82 B6R1.2 C1CNC[C@@H]1O PB18456 [0,1,0,1,0,0|1,0,0]=3 83 B6R1.2 C1CNC[C@H]1F AB27154 [0,1,0,1,0,0|2,0,0]=4 84 B6R1.2 C1CNC[C@H]1F PB20102 [0,1,0,1,0,0|2,0,0]=4 85 B6R1.2 C1CNC[C@H]1N AB02823 [0,1,0,1,0,0|2,0,0]=4 86 B6R1.2 C1CNC[C@H]1O PB30638 [0,1,0,1,0,0|1,0,0]=3 87 B6R1.2 C1CNC[C@H]1O PB32171 [0,1,0,1,0,0|1,0,0]=3 88 B6R1.2 C1COCC1=O PB17440 [0,1,0,1,0,0|1,0,0]=3 89 B6R1.2 C1COCC1Br PB20333 [0,1,0,1,0,0|1,0,0]=3 90 B6R1.2 C1COCC1I PB14773 [0,1,0,1,0,0|1,0,0]=3 91 B6R1.2 C1COCC1N PB27801 [0,1,0,1,0,0|1,0,0]=3 92 B6R1.2 C1COCC1O PB24525 [0,1,0,1,0,0|0,1,0]=3 93 B6R1.2 C1COC[C@@H]1I PB34863 [0,1,0,1,0,0|1,0,0]=3 94 B6R1.2 C1COC[C@@H]1N PB10514 [0,1,0,1,0,0|1,0,0]=3 95 B6R1.2 C1COC[C@@H]1O PB17096 [0,1,0,1,0,0|0,1,0]=3 96 B6R1.2 C1COC[C@H]1I PB22839 [0,1,0,1,0,0|1,0,0]=3 97 B6R1.2 C1COC[C@H]1N PB18852 [0,1,0,1,0,0|1,0,0]=3 98 B6R1.2 C1COC[C@H]1O PB25950 [0,1,0,1,0,0|0,1,0]=3 99 B6R1.2 C1CONC1=O MB10654 [0,1,0,1,0,0|2,0,0]=4 100 B6R1.2 CC1=CCCO1 AB00300 [0,1,0,1,0,0|1,0,0]=3 101 B6R1.2 CC1CCCN1 AB44503 [0,1,0,1,0,0|2,0,0]=4 102 B6R1.2 CC1CCNC1 AB41901 [0,1,0,1,0,0|2,0,0]=4 103 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,1,0,1,0,0|2,0,0]=4 104 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,1,0,1,0,0|2,0,0]=4 105 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,1,0,1,0,0|2,0,0]=4 106 B6R1.2 C[C@H]1CCCN1 AB29489 [0,1,0,1,0,0|2,0,0]=4 107 B6R1.2 C[C@H]1CCNC1 AB29522 [0,1,0,1,0,0|2,0,0]=4 108 B6R1.3 C1CC1CC#N PB18433 [0,1,0,1,0,0|2,0,0]=4 109 B6R1.3 C1CC1CC=O AB51242 [0,1,0,1,0,0|1,0,1]=4 110 B6R1.3 C1CC1CCN AB23437 [0,1,0,1,0,0|2,0,0]=4 111 B6R1.3 C1CC1CCN PB11093 [0,1,0,1,0,0|2,0,0]=4 112 B6R1.3 C1CC1CCO PB24555 [0,1,0,1,0,0|1,0,0]=3 113 B6R1.3 C1CC1CNN PB30981 [0,1,0,1,0,0|2,0,0]=4 114 B6R1.3 C1CC1CON AB21122 [0,1,0,1,0,0|1,0,0]=3 115 B6R1.5 C1C(CC1=O)Br PB30412 [0,1,0,1,0,0|2,0,0]=4 116 B6R1.5 C1C(CC1=O)F PB36975 [0,1,0,1,0,0|2,0,0]=4 117 B6R1.5 C1C(CC1=O)N PB20766 [0,1,0,1,0,0|2,0,0]=4 118 B6R1.5 C1C(CC1F)N PB22829 [0,1,0,1,0,0|2,0,0]=4 119 B6R1.5 C1C(CC1F)N PB31217 [0,1,0,1,0,0|2,0,0]=4 120 B6R1.5 C1C(CC1N)N PB10638 [0,1,0,1,0,0|2,0,0]=4 121 B6R1.5 C1C(CC1O)N PB17577 [0,1,0,1,0,0|1,0,0]=3 122 B6R1.5 C1[C@@H](C[C@@H]1N)F PB35807 [0,1,0,1,0,0|2,0,0]=4 123 B6R1.5 C1[C@@H](C[C@@H]1N)N PB39058 [0,1,0,1,0,0|2,0,0]=4 124 B6R1.5 C1[C@@H](C[C@@H]1N)O PB10634 [0,1,0,1,0,0|1,0,0]=3 125 B6R1.5 C1[C@@H](C[C@@H]1N)O PB11282 [0,1,0,1,0,0|1,0,0]=3 126 B6R1.5 C1[C@@H](C[C@@H]1O)F PB37280 [0,1,0,1,0,0|1,0,0]=3 127 B6R1.5 C1[C@@H](C[C@H]1N)F PB37634 [0,1,0,1,0,0|2,0,0]=4 128 B6R1.5 C1[C@@H](C[C@H]1N)N PB38862 [0,1,0,1,0,0|2,0,0]=4 129 B6R1.5 C1[C@@H](C[C@H]1N)O PB14636 [0,1,0,1,0,0|1,0,0]=3 130 B6R1.5 C1[C@@H](C[C@H]1N)O PB19576 [0,1,0,1,0,0|1,0,0]=3 131 B6R1.5 C1[C@@H](C[C@H]1O)F PB27240 [0,1,0,1,0,0|1,0,0]=3 132 B6R1.5 CN1CC(C1)N PB23920 [0,1,0,1,0,0|2,0,0]=4 133 B6R1.5 CN1CC(C1)O PB30133 [0,1,0,1,0,0|1,0,0]=3 134 B6R1.8 CS[C@@H]1C[C@H]1N MB69372 [0,1,0,1,0,0|1,0,0]=3 135 B6R1.10 C1C(CN1)(F)F PB30826 [0,1,0,1,0,0|2,0,0]=4 136 B6R1.10 CC1(CNC1)C PB36182 [0,1,0,1,0,0|2,0,0]=4 137 B6R1.10 CC1(CNC1)F PB35243 [0,1,0,1,0,0|2,0,0]=4 138 B6R1.10 CC1(CNC1)N PB18986 [0,1,0,1,0,0|2,0,0]=4 139 B6R1.10 CC1(CNC1)O PB26628 [0,1,0,1,0,0|1,0,0]=3 140 B6R1.10 CC1(COC1)C MB00151 [0,1,0,1,0,0|1,1,0]=4 141 B6R1.10 CC1(COC1)N PB14901 [0,1,0,1,0,0|1,1,0]=4 142 B6R1.10 CC1(COC1)O PB13891 [0,1,0,1,0,0|0,1,0]=3 143 B6R1.11 B(C1CC1)(O)O AB17174 [0,1,0,1,0,0|2,0,0]=4 144 B6R1.1 C1CNCC=C1 PB15670 [0,1,0,1,0,0|2,0,0]=4 145 B6R1.4 CC1C(CN1)O PB39176 [0,1,0,1,0,0|1,0,0]=3 146 B6R1.6 C1C(CN1)C#N PB25163 [0,1,0,1,0,0|2,0,0]=4 147 B6R1.6 C1C(CN1)CO PB34326 [0,1,0,1,0,0|1,0,0]=3 148 B6R1.6 C1C(CO1)C=O AB76630 [0,1,0,1,0,0|0,1,1]=4 149 B6R1.6 C1C(CO1)CCl MB06442 [0,1,0,1,0,0|1,1,0]=4 150 B6R1.6 C1C(CO1)CI PB11384 [0,1,0,1,0,0|1,1,0]=4 151 B6R1.6 C1C(CO1)CN PB26850 [0,1,0,1,0,0|1,1,0]=4 152 B6R1.6 C1C(CO1)CO PB28641 [0,1,0,1,0,0|0,1,0]=3 153 B6R1.6 C1C(CS1)CN PB19286 [0,1,0,1,0,0|1,0,0]=3 154 B6R1.6 C1CC(C1)CN PB27388 [0,1,0,1,0,0|2,0,0]=4 155 B6R1.6 C1CNC1CN PB33610 [0,1,0,1,0,0|2,0,0]=4 156 B6R1.6 C1CNC1CO PB21145 [0,1,0,1,0,0|1,0,0]=3 157 B6R1.6 C1CN[C@H]1CO PB13255 [0,1,0,1,0,0|1,0,0]=3 158 B6R1.6 C1COC1CBr PB10565 [0,1,0,1,0,0|1,0,0]=3 159 B6R1.6 C1COC1CI PB32950 [0,1,0,1,0,0|1,0,0]=3 160 B6R1.6 C1COC1CN PB12865 [0,1,0,1,0,0|1,0,0]=3 161 B6R1.6 C1COC1CO PB20918 [0,1,0,1,0,0|0,1,0]=3 162 B6R1.6 CNC1COC1 PB25068 [0,1,0,1,0,0|1,0,0]=3 163 B6R1.6 COC1CNC1 PB27751 [0,1,0,1,0,0|1,0,0]=3 164 B6R1.7 C1CC1(CN)O AB21151 [0,1,0,1,0,0|2,0,0]=4 165 B6R1.7 C1CC1(CO)N PB26047 [0,1,0,1,0,0|1,0,0]=3