0 B5R0.3 C(=O)C(C=O)Br PB21703 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CCC(=N)NN AB56212 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CCC(=O)C=O AB21438 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.3 CCC(=O)NN PB26058 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 C[C@@H](CO)NC AB31545 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 B(CC)(O)O AB08033 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 C=C(CBr)I MB13667 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 C=C[N+](=O)[O-] CB10433 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CC(=O)C=O AB00820 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.1 CCC(=N)N AB07703 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.2 C#CCCN AB55798 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.2 C(CN)CCl AB06220 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 C=CCCBr AB00123 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.2 C=CCCN AB14698 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.2 C=CCCO AB00288 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.1 CCNC(=O)C=C CB10170 [0,1,0,0,0,0|0,0,2]=3 17 B6R0.1 COC(=O)\C=C\N AB31601 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.1 COCC(CO)N AB24949 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.3 B(C(C)CC)(O)O AB25482 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.3 CC(C)C(C#N)O AB07208 [0,1,0,0,0,0|1,0,1]=3 22 B6R0.3 CC(CN)C(=O)O AB00933 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.3 CCC(C(=O)O)N AB00928 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.8 CC[C@@](C)(CO)O AB26212 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.8 CC[C@](C)(CO)O AB26211 [0,1,0,0,0,0|1,0,1]=3 29 B6R0.9 COC(CN)OC AB00930 [0,1,0,0,0,0|2,0,1]=4 30 B6R1.2 C1C=CCC1N CB10532 [0,0,0,1,0,0|1,0,2]=4 31 B6R1.2 C1C=NC(=N1)O AB52896 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.2 C1CNCC1F AB27153 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.2 C1CNCC1F PB27633 [0,0,0,1,0,0|2,0,1]=4 34 B6R1.2 C1CNCC1O PB24775 [0,0,0,1,0,0|1,0,1]=3 35 B6R1.2 C1CNC[C@@H]1F AB27158 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.2 C1CNC[C@@H]1F PB23386 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.2 C1CNC[C@@H]1N AB02820 [0,0,0,1,0,0|2,0,1]=4 38 B6R1.2 C1CNC[C@@H]1O PB17129 [0,0,0,1,0,0|1,0,1]=3 39 B6R1.2 C1CNC[C@@H]1O PB18456 [0,0,0,1,0,0|1,0,1]=3 40 B6R1.2 C1CNC[C@H]1F AB27154 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.2 C1CNC[C@H]1F PB20102 [0,0,0,1,0,0|2,0,1]=4 42 B6R1.2 C1CNC[C@H]1N AB02823 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.2 C1CNC[C@H]1O PB30638 [0,0,0,1,0,0|1,0,1]=3 44 B6R1.2 C1CNC[C@H]1O PB32171 [0,0,0,1,0,0|1,0,1]=3 45 B6R1.2 C1COCC1Br PB20333 [0,0,0,1,0,0|2,0,1]=4 46 B6R1.2 C1COCC1I PB14773 [0,0,0,1,0,0|2,0,1]=4 47 B6R1.2 C1COCC1N PB27801 [0,0,0,1,0,0|2,0,1]=4 48 B6R1.2 C1COCC1O PB24525 [0,0,0,1,0,0|1,0,1]=3 49 B6R1.2 C1COC[C@@H]1I PB34863 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.2 C1COC[C@@H]1N PB10514 [0,0,0,1,0,0|2,0,1]=4 51 B6R1.2 C1COC[C@@H]1O PB17096 [0,0,0,1,0,0|1,0,1]=3 52 B6R1.2 C1COC[C@H]1I PB22839 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.2 C1COC[C@H]1N PB18852 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.2 C1COC[C@H]1O PB25950 [0,0,0,1,0,0|1,0,1]=3 55 B6R1.2 CC1CCCN1 AB44503 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.2 CC1CCNC1 AB41901 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,0,0,1,0,0|2,0,1]=4 58 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,0,0,1,0,0|2,0,1]=4 59 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,0,0,1,0,0|2,0,1]=4 60 B6R1.2 C[C@H]1CCCN1 AB29489 [0,0,0,1,0,0|2,0,1]=4 61 B6R1.2 C[C@H]1CCNC1 AB29522 [0,0,0,1,0,0|2,0,1]=4 62 B6R1.2 c1conc1O MB20248 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.4 CC1C(CN1)O PB39176 [0,0,0,1,0,0|1,0,1]=3 64 B6R1.6 C1C(CO1)C=O AB76630 [0,0,0,1,0,0|3,0,0]=4 65 B6R1.6 C1CC(C1)CN PB27388 [0,0,0,1,0,0|2,0,1]=4 66 B6R1.6 C1CNC1CN PB33610 [0,0,0,1,0,0|2,0,1]=4 67 B6R1.6 C1CNC1CO PB21145 [0,0,0,1,0,0|2,0,1]=4 68 B6R1.6 C1CN[C@H]1CO PB13255 [0,0,0,1,0,0|2,0,1]=4 69 B6R1.6 C1COC1CBr PB10565 [0,0,0,1,0,0|1,0,1]=3 70 B6R1.6 C1COC1CI PB32950 [0,0,0,1,0,0|1,0,1]=3 71 B6R1.6 C1COC1CN PB12865 [0,0,0,1,0,0|1,0,1]=3 72 B6R1.6 C1COC1CO PB20918 [0,0,0,1,0,0|1,0,1]=3 73 B6R1.7 C1CC1(CN)O AB21151 [0,0,0,1,0,0|1,0,1]=3 74 B6R1.7 C1CC1(CO)N PB26047 [0,0,0,1,0,0|2,0,1]=4 75 B3R0.1 C(CCl)N AB03778 [2,0,0,0,0,0|2,0,0]=4 76 B3R0.1 C\C=C/I AB73504 [2,0,0,0,0,0|1,0,1]=4 77 B3R0.1 C\C=C\Br AB00109 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.1 B(CCC)(O)O AB08045 [1,1,0,0,0,0|2,0,0]=4 79 B5R0.1 B(\C=C\C)(O)O AB11274 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.1 C(CN)C(F)F AB65227 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.1 C(CO)C(F)F AB76811 [1,1,0,0,0,0|2,0,0]=4 82 B5R0.1 C=C(CCCl)I MB13669 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.5 B(C(C)C)(O)O AB08847 [1,1,0,0,0,0|2,0,0]=4 84 B5R0.5 CC(C(=O)N)N AB43014 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.5 CC(C)C(=N)N AB07702 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.5 CC(C)C(=S)N AB32169 [1,1,0,0,0,0|2,0,0]=4 87 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.5 C[C@@H](C(=O)O)N AB02601 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.2 C(CC#N)CN AB52761 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.2 C(\C=C\Cl)ON AB44940 [1,1,0,0,0,0|2,0,0]=4 91 B5R0.2 COCCON MB08235 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.2 CCC(CC(=O)O)N AB01525 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,2,0,0,0,0|2,0,0]=4 94 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.10 CCC(C(=O)OC)N AB16757 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.11 CCO[C@@](C)(CO)O AB31299 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.13 CC[C@@](C)(C(=O)O)N AB03946 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.13 CC[C@](C)(C(=O)O)N AB07274 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.15 CC(C(OC)OC)Br AB64104 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.15 CCC(CN)C(=O)O AB62466 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,2,0,0,0,0|2,0,0]=4 105 B5R1.2 C1C(CN1)O PB18565 [1,0,0,1,0,0|1,0,1]=4 106 B5R1.2 C1C(CO1)O PB25111 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.1 C#CC1CCOC1 PB28898 [0,1,0,1,0,0|0,0,2]=4 108 B7R1.1 C1=NC=NC1CBr AB53027 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.1 C1=NC=NC1CCl AB09871 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.1 C1=NC=NC1CCl AB43165 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.1 C1=NC=NC1CN AB09180 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.1 C1=NC=NC1CN MB06927 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.1 C1=NC=NC1CO PB24669 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.1 C1C=CCC1CBr AB76476 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.1 C1C=CCC1CO PB12789 [0,1,0,1,0,0|0,0,2]=4 116 B7R1.1 C1CC(OC1)CI AB24846 [0,1,0,1,0,0|1,0,1]=4 117 B7R1.1 C1CC(OC1)CN AB00408 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.1 C1CCC(C1)C=O AB02400 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.1 C1CNCC1CO PB15896 [0,1,0,1,0,0|1,0,1]=4 120 B7R1.1 C1CNCC1CO PB31387 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.1 C1CNC[C@@H]1CO PB12644 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.1 C1CNC[C@@H]1CO PB19010 [0,1,0,1,0,0|1,0,1]=4 123 B7R1.1 C1CNC[C@H]1CO PB31350 [0,1,0,1,0,0|1,0,1]=4 124 B7R1.1 C1CNC[C@H]1CO PB32765 [0,1,0,1,0,0|1,0,1]=4 125 B7R1.1 C1COCC1C#N PB22187 [0,1,0,1,0,0|1,0,1]=4 126 B7R1.1 C1COCC1CBr PB10518 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.1 C1COCC1CCl MB04735 [0,1,0,1,0,0|1,0,1]=4 128 B7R1.1 C1COCC1CI PB23453 [0,1,0,1,0,0|1,0,1]=4 129 B7R1.1 C1COCC1CN PB10526 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.1 C1COCC1CO PB30586 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.1 C1COC[C@@H]1C#N PB19741 [0,1,0,1,0,0|1,0,1]=4 132 B7R1.1 C1COC[C@@H]1CN PB15453 [0,1,0,1,0,0|1,0,1]=4 133 B7R1.1 C1COC[C@@H]1CO PB30186 [0,1,0,1,0,0|1,0,1]=4 134 B7R1.1 C1COC[C@H]1C#N PB11493 [0,1,0,1,0,0|1,0,1]=4 135 B7R1.1 C1COC[C@H]1CN PB18204 [0,1,0,1,0,0|1,0,1]=4 136 B7R1.1 C1COC[C@H]1CO PB34870 [0,1,0,1,0,0|1,0,1]=4 137 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,1,0,1,0,0|1,0,1]=4 139 B7R1.1 CCC1=CN=CC1 AB31265 [0,1,0,1,0,0|1,0,1]=4 140 B7R1.1 CCn1cncn1 AB31524 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.1 CNC1CCOC1 PB17482 [0,1,0,1,0,0|1,0,1]=4 142 B7R1.1 CN[C@@H]1CCOC1 PB30485 [0,1,0,1,0,0|1,0,1]=4 143 B7R1.1 CN[C@H]1CCOC1 PB11771 [0,1,0,1,0,0|1,0,1]=4 144 B7R1.1 COC1CCNC1 PB31357 [0,1,0,1,0,0|1,0,1]=4 145 B7R1.1 CO[C@@H]1CCNC1 PB20659 [0,1,0,1,0,0|1,0,1]=4 146 B7R1.1 CO[C@@H]1CCNC1 PB26535 [0,1,0,1,0,0|1,0,1]=4 147 B7R1.1 CO[C@H]1CCNC1 PB10788 [0,1,0,1,0,0|1,0,1]=4 148 B7R1.1 c1c(ocn1)CCl AB42450 [0,1,0,1,0,0|1,0,1]=4 149 B7R1.1 c1c(ocn1)CN AB30442 [0,1,0,1,0,0|1,0,1]=4 150 B7R1.1 c1c(ocn1)CO PB32681 [0,1,0,1,0,0|1,0,1]=4 151 B7R1.1 c1cc(oc1)CCl MB06568 [0,1,0,1,0,0|1,0,1]=4 152 B7R1.1 c1cnoc1CN AB27950 [0,1,0,1,0,0|1,0,1]=4 153 B7R1.1 c1cnoc1CN AB27954 [0,1,0,1,0,0|1,0,1]=4 154 B7R1.1 c1cnoc1CO AB28102 [0,1,0,1,0,0|1,0,1]=4 155 B7R1.1 c1coc(n1)CCl AB19278 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.1 c1coc(n1)CN AB19275 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.1 c1coc(n1)CN AB28202 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.1 c1coc(n1)CO PB27948 [0,1,0,1,0,0|1,0,1]=4 159 B7R1.1 c1conc1CCl MB04274 [0,1,0,1,0,0|1,0,1]=4 160 B7R1.1 c1conc1CN PB24935 [0,1,0,1,0,0|1,0,1]=4 161 B7R1.1 c1conc1CO PB15902 [0,1,0,1,0,0|1,0,1]=4 162 B7R1.2 C1CC(CC1N)O PB13684 [0,1,0,1,0,0|0,0,2]=4 163 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [0,1,0,1,0,0|0,0,2]=4 164 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [0,1,0,1,0,0|0,0,2]=4 165 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [0,1,0,1,0,0|0,0,2]=4 166 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,1,0,1,0,0|1,0,1]=4 167 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,1,0,1,0,0|1,0,1]=4 168 B7R1.2 CN1CCC(C1)O PB32059 [0,1,0,1,0,0|0,0,2]=4 169 B7R1.2 CN1CC[C@H](C1)O PB17320 [0,1,0,1,0,0|0,0,2]=4 170 B7R1.3 C1CC(CNC1)O PB27381 [0,1,0,1,0,0|0,0,2]=4 171 B7R1.3 C1CC(COC1)O PB32182 [0,1,0,1,0,0|0,0,2]=4 172 B7R1.3 C1CCNC(C1)O MB03551 [0,1,0,1,0,0|0,0,2]=4 173 B7R1.3 C1COC(CN1)O CB11808 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.3 C1COCCC1O PB11583 [0,1,0,1,0,0|0,0,2]=4 175 B7R1.3 C1C[C@@H](CNC1)O PB26394 [0,1,0,1,0,0|0,0,2]=4 176 B7R1.3 C1C[C@H](CNC1)O PB20930 [0,1,0,1,0,0|0,0,2]=4 177 B7R1.3 C1C[C@H](CNC1)O PB25197 [0,1,0,1,0,0|0,0,2]=4 178 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,1,0,1,0,0|1,0,0]=3 181 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,1,0,1,0,0|1,0,0]=3 182 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,1,0,1,0,0|0,0,2]=4 183 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,1,0,1,0,0|0,0,2]=4 184 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,1,0,1,0,0|0,0,2]=4 185 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,1,0,1,0,0|0,0,2]=4 186 B7R1.4 C1[C@@H]([C@H](CN1)O)O PB16044 [0,1,0,1,0,0|1,0,1]=4 187 B7R1.4 C1[C@H]([C@@H](CN1)F)O PB36321 [0,1,0,1,0,0|1,0,1]=4 188 B7R1.4 C1[C@H]([C@@H](CN1)O)O PB26398 [0,1,0,1,0,0|1,0,1]=4 189 B7R1.4 C1[C@H]([C@H](CN1)O)O PB35093 [0,1,0,1,0,0|1,0,1]=4 190 B7R1.6 C1CC(C1)CC=O AB49507 [0,1,0,1,0,0|1,0,1]=4 191 B7R1.8 C1CC(=O)C1CO PB37542 [0,1,0,1,0,0|1,0,0]=3 192 B7R1.25 C#CC1(CNC1)O PB35485 [0,1,0,1,0,0|0,0,2]=4 193 B7R1.25 C#CC1(COC1)O PB19733 [0,1,0,1,0,0|0,0,2]=4 194 B7R1.25 C1C(CO1)(CN)O PB27235 [0,1,0,1,0,0|1,0,1]=4 195 B7R1.25 CC1(COC1)C=O PB34454 [0,1,0,1,0,0|2,0,0]=4 196 B7R1.25 CCC1(CNC1)O PB13452 [0,1,0,1,0,0|0,0,2]=4 197 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,1,0,1,0,0|2,0,0]=4 198 B7R1.18 C1CC(C1)C(=N)N PB21224 [0,1,0,1,0,0|2,0,0]=4 199 B7R1.18 C1CNC1C(=O)N MB03936 [0,1,0,1,0,0|2,0,0]=4 200 B7R1.18 C1CNC1C(=O)O PB12060 [0,1,0,1,0,0|2,0,0]=4 201 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [0,1,0,1,0,0|2,0,0]=4 202 B7R1.18 C1COC1C(=O)O PB26385 [0,1,0,1,0,0|1,0,0]=3 203 B7R1.19 C1CC1(C(=O)O)N PB23174 [0,1,0,1,0,0|2,0,0]=4 204 B7R1.14 CC1(CCNC1)O PB19348 [0,1,0,1,0,0|1,0,1]=4