0 B5R0.3 C=C(CO)CO PB20901 [0,0,0,0,0,0|1,1,1]=3 1 B5R0.3 C[C@@H](CO)NC AB31545 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 B(CC)(O)O AB08033 [1,0,0,0,0,0|2,1,0]=4 3 B4R0.1 C(C(=N)N)O AB12726 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.1 C(C(=N)N)O AB21804 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 CC(=O)NO AB01014 [1,0,0,0,0,0|1,1,1]=4 6 B4R0.1 C\C(=N\O)\N AB06530 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.2 C#CCCN AB55798 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.2 C(CN)CCl AB06220 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.2 C=CCCBr AB00123 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.2 C=CCCN AB14698 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.2 C=CCCO AB00288 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.1 CCOC(=N)CO AB60920 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.1 COCC(CO)N AB24949 [0,1,0,0,0,0|1,1,0]=3 14 B6R0.3 B(C(C)CC)(O)O AB25482 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.3 CC(CN)C(=O)O AB00933 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.3 CCC(C(=O)O)N AB00928 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.8 CC(C)(CO)OC CB11973 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.8 CC[C@@](C)(CO)O AB26212 [0,1,0,0,0,0|1,1,0]=3 22 B6R0.8 CC[C@](C)(CO)O AB26211 [0,1,0,0,0,0|1,1,0]=3 23 B6R1.2 C1C=CCC1N CB10532 [0,0,0,1,0,0|3,0,0]=4 24 B6R1.2 C1CNCC1F AB27153 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.2 C1CNCC1F PB27633 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.2 C1CNCC1O PB24775 [0,0,0,1,0,0|2,1,0]=4 27 B6R1.2 C1CNC[C@@H]1F AB27158 [0,0,0,1,0,0|3,0,0]=4 28 B6R1.2 C1CNC[C@@H]1F PB23386 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 C1CNC[C@@H]1N AB02820 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.2 C1CNC[C@@H]1O PB17129 [0,0,0,1,0,0|2,1,0]=4 31 B6R1.2 C1CNC[C@@H]1O PB18456 [0,0,0,1,0,0|2,1,0]=4 32 B6R1.2 C1CNC[C@H]1F AB27154 [0,0,0,1,0,0|3,0,0]=4 33 B6R1.2 C1CNC[C@H]1F PB20102 [0,0,0,1,0,0|3,0,0]=4 34 B6R1.2 C1CNC[C@H]1N AB02823 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.2 C1CNC[C@H]1O PB30638 [0,0,0,1,0,0|2,1,0]=4 36 B6R1.2 C1CNC[C@H]1O PB32171 [0,0,0,1,0,0|2,1,0]=4 37 B6R1.2 C1COCC1=O PB17440 [0,0,0,1,0,0|1,1,1]=4 38 B6R1.2 C1COCC1Br PB20333 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.2 C1COCC1I PB14773 [0,0,0,1,0,0|2,0,0]=3 40 B6R1.2 C1COCC1N PB27801 [0,0,0,1,0,0|2,0,0]=3 41 B6R1.2 C1COCC1O PB24525 [0,0,0,1,0,0|1,1,0]=3 42 B6R1.2 C1COC[C@@H]1I PB34863 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.2 C1COC[C@@H]1N PB10514 [0,0,0,1,0,0|2,0,0]=3 44 B6R1.2 C1COC[C@@H]1O PB17096 [0,0,0,1,0,0|1,1,0]=3 45 B6R1.2 C1COC[C@H]1I PB22839 [0,0,0,1,0,0|2,0,0]=3 46 B6R1.2 C1COC[C@H]1N PB18852 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.2 C1COC[C@H]1O PB25950 [0,0,0,1,0,0|1,1,0]=3 48 B6R1.2 CC1CCNC1 AB41901 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,0,0,1,0,0|3,0,0]=4 50 B6R1.2 C[C@H]1CCNC1 AB29522 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.4 CC1C(CN1)O PB39176 [0,0,0,1,0,0|2,1,0]=4 52 B6R1.6 C1C(CN1)CO PB34326 [0,0,0,1,0,0|2,0,0]=3 53 B6R1.6 C1C(CO1)C=O AB76630 [0,0,0,1,0,0|1,1,1]=4 54 B6R1.6 C1C(CO1)CCl MB06442 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.6 C1C(CO1)CI PB11384 [0,0,0,1,0,0|2,0,0]=3 56 B6R1.6 C1C(CO1)CN PB26850 [0,0,0,1,0,0|2,0,0]=3 57 B6R1.6 C1C(CO1)CO PB28641 [0,0,0,1,0,0|1,1,0]=3 58 B6R1.6 C1C(CS1)CN PB19286 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.6 C1CC(C1)CN PB27388 [0,0,0,1,0,0|3,0,0]=4 60 B6R1.6 C1CNC1CN PB33610 [0,0,0,1,0,0|3,0,0]=4 61 B6R1.6 C1CNC1CO PB21145 [0,0,0,1,0,0|2,0,0]=3 62 B6R1.6 C1CN[C@H]1CO PB13255 [0,0,0,1,0,0|2,0,0]=3 63 B6R1.6 C1COC1CBr PB10565 [0,0,0,1,0,0|2,1,0]=4 64 B6R1.6 C1COC1CI PB32950 [0,0,0,1,0,0|2,1,0]=4 65 B6R1.6 C1COC1CN PB12865 [0,0,0,1,0,0|2,1,0]=4 66 B6R1.6 C1COC1CO PB20918 [0,0,0,1,0,0|1,1,0]=3 67 B6R1.6 CNC1COC1 PB25068 [0,0,0,1,0,0|3,0,0]=4 68 B6R1.7 C1CC1(CN)O AB21151 [0,0,0,1,0,0|2,1,0]=4 69 B6R1.7 C1CC1(CO)N PB26047 [0,0,0,1,0,0|2,0,0]=3 70 B3R0.1 C(CCl)N AB03778 [2,0,0,0,0,0|2,0,0]=4 71 B3R0.2 C[S+](C)C AB01061 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.1 C(CO)C(F)F AB76811 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.4 C[Si](C)(C)CO CB10021 [1,1,0,0,0,0|1,1,0]=4 74 B5R0.5 B(C(C)C)(O)O AB08847 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.5 C[C@@H](C(=O)O)N AB02601 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.2 C(CC#N)CN AB52761 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.2 COCCON MB08235 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.2 CCC(CC(=O)O)N AB01525 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.3 C[C@H](CO)OCOC AB53701 [0,2,0,0,0,0|1,1,0]=4 81 B7R0.5 CC(C)C(CCO)N AB31007 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.10 C([C@@H]([C@H](CO)N)N)O MB06933 [0,2,0,0,0,0|1,1,0]=4 83 B7R0.10 C([C@H]([C@@H](CO)N)N)O MB06944 [0,2,0,0,0,0|1,1,0]=4 84 B7R0.11 CCO[C@@](C)(CO)O AB31299 [0,2,0,0,0,0|1,1,0]=4 85 B7R0.13 C[C@@](CS)(C(=O)O)N AB56457 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.13 C[C@](CS)(C(=O)O)N AB65504 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.14 C(C(C(F)(F)F)N)O AB60356 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.14 C([C@@H](C(F)(F)F)N)O AB77360 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.14 C([C@H](C(F)(F)F)N)O AB60357 [0,2,0,0,0,0|2,0,0]=4 90 B5R1.2 C1C(=O)CO1 PB20352 [1,0,0,1,0,0|0,1,1]=4 91 B5R1.2 C1C(=O)CS1 PB29880 [1,0,0,1,0,0|0,1,1]=4 92 B5R1.2 C1C(CN1)N PB22346 [1,0,0,1,0,0|2,0,0]=4 93 B5R1.2 C1C(CN1)O PB18565 [1,0,0,1,0,0|1,1,0]=4 94 B5R1.2 C1C(CN1)S PB18372 [1,0,0,1,0,0|1,0,0]=3 95 B5R1.2 C1C(CO1)Br PB32639 [1,0,0,1,0,0|1,0,0]=3 96 B5R1.2 C1C(CO1)Cl PB33445 [1,0,0,1,0,0|1,0,0]=3 97 B5R1.2 C1C(CO1)F AB71732 [1,0,0,1,0,0|1,0,0]=3 98 B5R1.2 C1C(CO1)I PB20276 [1,0,0,1,0,0|1,0,0]=3 99 B5R1.2 C1C(CO1)N MB07029 [1,0,0,1,0,0|1,0,0]=3 100 B5R1.2 C1C(CO1)N PB31297 [1,0,0,1,0,0|1,0,0]=3 101 B5R1.2 C1C(CO1)O PB25111 [1,0,0,1,0,0|0,1,0]=3 102 B5R1.2 C1C(CO1)S PB31940 [1,0,0,1,0,0|0,0,0]=2 103 B5R1.2 C1C(CS1)N PB11400 [1,0,0,1,0,0|1,0,0]=3 104 B5R1.2 CC1CNC1 PB16157 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.1 C#CC1CCOC1 PB28898 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.1 C1C=CCC1CO PB12789 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.1 C1CNCC1CO PB15896 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.1 C1CNCC1CO PB31387 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.1 C1CNC[C@@H]1CO PB12644 [0,1,0,1,0,0|2,0,0]=4 110 B7R1.1 C1CNC[C@@H]1CO PB19010 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.1 C1CNC[C@H]1CO PB31350 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.1 C1CNC[C@H]1CO PB32765 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.1 C1COCC1C#N PB22187 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.1 C1COCC1CBr PB10518 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.1 C1COCC1CCl MB04735 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.1 C1COCC1CI PB23453 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.1 C1COCC1CN PB10526 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.1 C1COCC1CO PB30586 [0,1,0,1,0,0|1,1,0]=4 119 B7R1.1 C1COC[C@@H]1C#N PB19741 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.1 C1COC[C@@H]1CN PB15453 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.1 C1COC[C@@H]1CO PB30186 [0,1,0,1,0,0|1,1,0]=4 122 B7R1.1 C1COC[C@H]1C#N PB11493 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.1 C1COC[C@H]1CN PB18204 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.1 C1COC[C@H]1CO PB34870 [0,1,0,1,0,0|1,1,0]=4 125 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.1 CNC1CCOC1 PB17482 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.1 CN[C@@H]1CCOC1 PB30485 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.1 CN[C@H]1CCOC1 PB11771 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.2 C1CC(CC1N)O PB13684 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,1,0,1,0,0|1,0,1]=4 135 B7R1.3 C1CC(CNC1)S PB34789 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.3 C1CC(COC1)Br MB04535 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.3 C1CC(COC1)N PB30901 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.3 C1CC(COC1)O PB32182 [0,1,0,1,0,0|1,1,0]=4 139 B7R1.3 C1CNCCC1S PB26690 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.3 C1COCCC1Br PB24975 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.3 C1COCCC1Cl AB02848 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.3 C1COCCC1I PB13042 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.3 C1COCCC1N AB11128 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.3 C1COCCC1N PB27421 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.3 C1COCCC1O PB11583 [0,1,0,1,0,0|1,1,0]=4 146 B7R1.3 C1CSCCC1N AB32569 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.3 CC1COCCN1 AB49614 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.3 C[C@H]1COCCN1 AB16412 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,1,0,1,0,0|2,0,0]=4 153 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.4 C1[C@@H]([C@H](CN1)O)O PB16044 [0,1,0,1,0,0|1,1,0]=4 155 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38160 [0,1,0,1,0,0|2,0,0]=4 156 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38162 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.4 C1[C@H]([C@@H](CN1)F)O PB36321 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.4 C1[C@H]([C@@H](CN1)O)O PB26398 [0,1,0,1,0,0|1,1,0]=4 159 B7R1.4 C1[C@H]([C@@H](CO1)N)N PB19676 [0,1,0,1,0,0|2,0,0]=4 160 B7R1.4 C1[C@H]([C@H](CN1)O)O PB35093 [0,1,0,1,0,0|1,1,0]=4 161 B7R1.4 C1[C@H]([C@H](CO1)N)N PB18249 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.6 C1C(CO1)CC=O PB14037 [0,1,0,1,0,0|1,1,0]=4 163 B7R1.6 C1C(CO1)CCN AB76310 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.6 C1C(CO1)CCO PB15326 [0,1,0,1,0,0|1,1,0]=4 165 B7R1.6 CCNC1COC1 PB13879 [0,1,0,1,0,0|2,0,0]=4 166 B7R1.6 CNCC1COC1 PB36516 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.6 COCC1CCN1 PB36845 [0,1,0,1,0,0|2,0,0]=4 168 B7R1.6 COCC1CNC1 PB23654 [0,1,0,1,0,0|2,0,0]=4 169 B7R1.6 COC[C@@H]1CCN1 PB36728 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.6 COC[C@H]1CCN1 PB28355 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.8 C1CC(=O)C1CO PB37542 [0,1,0,1,0,0|1,1,0]=4 172 B7R1.10 C1C(CC1=O)CO PB17805 [0,1,0,1,0,0|1,1,0]=4 173 B7R1.10 C1C(CC1Cl)CO PB34804 [0,1,0,1,0,0|2,0,0]=4 174 B7R1.10 C1C(CC1N)CO PB17688 [0,1,0,1,0,0|2,0,0]=4 175 B7R1.10 C1C(CC1N)CO PB21400 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.10 C1C(CC1O)CN PB13605 [0,1,0,1,0,0|2,0,0]=4 177 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB27029 [0,1,0,1,0,0|2,0,0]=4 178 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB35521 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB19477 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB27028 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.10 C1[C@@H](C[C@H]1CN)O PB11268 [0,1,0,1,0,0|2,0,0]=4 182 B7R1.10 C1[C@@H](C[C@H]1CN)O PB38808 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.10 C1[C@@H](C[C@H]1CO)N PB18381 [0,1,0,1,0,0|2,0,0]=4 184 B7R1.10 C1[C@@H](C[C@H]1CO)N PB34902 [0,1,0,1,0,0|2,0,0]=4 185 B7R1.25 C1C(CN1)(CO)F PB13848 [0,1,0,1,0,0|2,0,0]=4 186 B7R1.25 C1C(CO1)(CBr)F PB28794 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.25 C1C(CO1)(CI)F PB23109 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.25 C1C(CO1)(CN)F PB24340 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.25 C1C(CO1)(CN)O PB27235 [0,1,0,1,0,0|1,1,0]=4 190 B7R1.25 C1C(CO1)(CO)F PB16593 [0,1,0,1,0,0|1,1,0]=4 191 B7R1.25 C1C(CO1)(CO)N PB16909 [0,1,0,1,0,0|1,1,0]=4 192 B7R1.25 C1CC(C1)(CO)N PB16437 [0,1,0,1,0,0|2,0,0]=4 193 B7R1.25 CC1(COC1)CBr PB21817 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.25 CC1(COC1)CCl PB27545 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.25 CC1(COC1)CI PB34619 [0,1,0,1,0,0|2,0,0]=4 196 B7R1.25 CC1(COC1)CN PB32664 [0,1,0,1,0,0|2,0,0]=4 197 B7R1.25 CC1(COC1)CO PB20862 [0,1,0,1,0,0|1,1,0]=4 198 B7R1.25 CC1(COC1)CS PB21164 [0,1,0,1,0,0|1,0,0]=3 199 B7R1.25 CCC1(COC1)N PB16859 [0,1,0,1,0,0|2,0,0]=4 200 B7R1.25 CCC1(COC1)N PB38017 [0,1,0,1,0,0|2,0,0]=4 201 B7R1.18 CC(C1CCC1)O CB10183 [0,1,0,1,0,0|2,0,0]=4 202 B7R1.14 CC1(CCOC1)N PB13539 [0,1,0,1,0,0|2,0,0]=4