0 B5R0.1 B(CCC)(O)O AB08045 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 C#CCC(=O)O AB11673 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C(CCl)C(=N)N AB30465 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C(CN)C(F)F AB65227 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 C(CO)C(=N)N AB48909 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 C(CO)C(F)F AB76811 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 C=C(CCCl)I MB13669 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 CC(=O)\C=N\O AB00206 [0,0,0,0,0,0|1,0,3]=4 9 B5R0.1 CC(C)N=C=O AB00193 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.1 B(CC)(O)O AB08033 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 C(C(=N)N)O AB12726 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 C(C(=N)N)O AB21804 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 CC(=O)NO AB01014 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 CCC(=N)N AB07703 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 C\C(=N\O)\N AB06530 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.2 C#CCCN AB55798 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.2 C(CN)CCl AB06220 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.2 C=CCCBr AB00123 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.2 C=CCCN AB14698 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.2 C=CCCO AB00288 [1,0,0,0,0,0|0,0,2]=3 22 B6R0.1 COC(=N)CCCl AB61008 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 COCC(CO)N AB24949 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.2 B(CC(C)C)(O)O AB03722 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.2 CC(C)CC(=N)N AB60903 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.2 CC(C)CC(=S)N AB52630 [0,1,0,0,0,0|1,1,1]=4 27 B6R0.3 B(C(C)CC)(O)O AB25482 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,1,0,0,0,0|1,1,1]=4 29 B6R0.3 CC(C)C(C#N)O AB07208 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.3 CC(CN)C(=O)O AB00933 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.3 CCC(C(=O)O)N AB00928 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.4 C#CCCC(=O)O CB10019 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.4 CN(C)CCCBr AB52731 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.5 C(CCl)C(F)(F)F AB02799 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.5 C(CN)C(F)(F)F AB09785 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.5 C(CO)C(F)(F)F AB04522 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.5 CC(C)(C)CCI AB29727 [0,1,0,0,0,0|2,0,0]=3 40 B6R1.2 C1C=C(CO1)I AB84905 [0,0,0,1,0,0|1,0,2]=4 41 B6R1.2 C1C=CCC1N CB10532 [0,0,0,1,0,0|2,0,1]=4 42 B6R1.2 C1CNCC1=O PB21807 [0,0,0,1,0,0|1,0,2]=4 43 B6R1.2 C1CNCC1F AB27153 [0,0,0,1,0,0|2,0,0]=3 44 B6R1.2 C1CNCC1F PB27633 [0,0,0,1,0,0|2,0,0]=3 45 B6R1.2 C1CNCC1O PB24775 [0,0,0,1,0,0|1,0,0]=2 46 B6R1.2 C1CNC[C@@H]1F AB27158 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.2 C1CNC[C@@H]1F PB23386 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.2 C1CNC[C@@H]1N AB02820 [0,0,0,1,0,0|2,0,0]=3 49 B6R1.2 C1CNC[C@@H]1O PB17129 [0,0,0,1,0,0|1,0,0]=2 50 B6R1.2 C1CNC[C@@H]1O PB18456 [0,0,0,1,0,0|1,0,0]=2 51 B6R1.2 C1CNC[C@H]1F AB27154 [0,0,0,1,0,0|2,0,0]=3 52 B6R1.2 C1CNC[C@H]1F PB20102 [0,0,0,1,0,0|2,0,0]=3 53 B6R1.2 C1CNC[C@H]1N AB02823 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.2 C1CNC[C@H]1O PB30638 [0,0,0,1,0,0|1,0,0]=2 55 B6R1.2 C1CNC[C@H]1O PB32171 [0,0,0,1,0,0|1,0,0]=2 56 B6R1.2 C1COCC1=O PB17440 [0,0,0,1,0,0|0,0,2]=3 57 B6R1.2 C1COCC1Br PB20333 [0,0,0,1,0,0|1,0,0]=2 58 B6R1.2 C1COCC1I PB14773 [0,0,0,1,0,0|1,0,0]=2 59 B6R1.2 C1COCC1N PB27801 [0,0,0,1,0,0|1,0,0]=2 60 B6R1.2 C1COCC1O PB24525 [0,0,0,1,0,0|0,0,0]=1 61 B6R1.2 C1COC[C@@H]1I PB34863 [0,0,0,1,0,0|1,0,0]=2 62 B6R1.2 C1COC[C@@H]1N PB10514 [0,0,0,1,0,0|1,0,0]=2 63 B6R1.2 C1COC[C@@H]1O PB17096 [0,0,0,1,0,0|0,0,0]=1 64 B6R1.2 C1COC[C@H]1I PB22839 [0,0,0,1,0,0|1,0,0]=2 65 B6R1.2 C1COC[C@H]1N PB18852 [0,0,0,1,0,0|1,0,0]=2 66 B6R1.2 C1COC[C@H]1O PB25950 [0,0,0,1,0,0|0,0,0]=1 67 B6R1.2 C1CONC1=O MB10654 [0,0,0,1,0,0|1,0,2]=4 68 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,1,0,0|1,0,2]=4 69 B6R1.2 CC1CCCN1 AB44503 [0,0,0,1,0,0|2,0,0]=3 70 B6R1.2 CC1CCNC1 AB41901 [0,0,0,1,0,0|2,0,0]=3 71 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,0,0,1,0,0|2,0,0]=3 72 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,0,0,1,0,0|2,0,0]=3 73 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,0,0,1,0,0|2,0,0]=3 74 B6R1.2 C[C@H]1CCCN1 AB29489 [0,0,0,1,0,0|2,0,0]=3 75 B6R1.2 C[C@H]1CCNC1 AB29522 [0,0,0,1,0,0|2,0,0]=3 76 B6R1.3 C1CC1CC#N PB18433 [0,0,0,1,0,0|2,0,1]=4 77 B6R1.3 C1CC1CC=O AB51242 [0,0,0,1,0,0|1,0,2]=4 78 B6R1.3 C1CC1CCN AB23437 [0,0,0,1,0,0|2,0,0]=3 79 B6R1.3 C1CC1CCN PB11093 [0,0,0,1,0,0|2,0,0]=3 80 B6R1.3 C1CC1CCO PB24555 [0,0,0,1,0,0|1,0,0]=2 81 B6R1.3 C1CC1CNN PB30981 [0,0,0,1,0,0|3,0,0]=4 82 B6R1.3 C1CC1CON AB21122 [0,0,0,1,0,0|3,0,0]=4 83 B6R1.5 C1C(CC1=O)Br PB30412 [0,0,0,1,0,0|1,0,2]=4 84 B6R1.5 C1C(CC1=O)F PB36975 [0,0,0,1,0,0|1,0,2]=4 85 B6R1.5 C1C(CC1=O)N PB20766 [0,0,0,1,0,0|1,0,2]=4 86 B6R1.5 C1C(CC1F)N PB22829 [0,0,0,1,0,0|2,0,0]=3 87 B6R1.5 C1C(CC1F)N PB31217 [0,0,0,1,0,0|2,0,0]=3 88 B6R1.5 C1C(CC1N)N PB10638 [0,0,0,1,0,0|2,0,0]=3 89 B6R1.5 C1C(CC1O)N PB17577 [0,0,0,1,0,0|1,0,0]=2 90 B6R1.5 C1[C@@H](C[C@@H]1N)F PB35807 [0,0,0,1,0,0|2,0,0]=3 91 B6R1.5 C1[C@@H](C[C@@H]1N)N PB39058 [0,0,0,1,0,0|2,0,0]=3 92 B6R1.5 C1[C@@H](C[C@@H]1N)O PB10634 [0,0,0,1,0,0|1,0,0]=2 93 B6R1.5 C1[C@@H](C[C@@H]1N)O PB11282 [0,0,0,1,0,0|1,0,0]=2 94 B6R1.5 C1[C@@H](C[C@@H]1O)F PB37280 [0,0,0,1,0,0|1,0,0]=2 95 B6R1.5 C1[C@@H](C[C@H]1N)F PB37634 [0,0,0,1,0,0|2,0,0]=3 96 B6R1.5 C1[C@@H](C[C@H]1N)N PB38862 [0,0,0,1,0,0|2,0,0]=3 97 B6R1.5 C1[C@@H](C[C@H]1N)O PB14636 [0,0,0,1,0,0|1,0,0]=2 98 B6R1.5 C1[C@@H](C[C@H]1N)O PB19576 [0,0,0,1,0,0|1,0,0]=2 99 B6R1.5 C1[C@@H](C[C@H]1O)F PB27240 [0,0,0,1,0,0|1,0,0]=2 100 B6R1.5 CN1CC(C1)N PB23920 [0,0,0,1,0,0|3,0,0]=4 101 B6R1.5 CN1CC(C1)O PB30133 [0,0,0,1,0,0|2,0,0]=3 102 B6R1.8 CS[C@@H]1C[C@H]1N MB69372 [0,0,0,1,0,0|3,0,0]=4 103 B6R1.9 C1C(C1(F)F)N AB68664 [0,0,0,1,0,0|3,0,0]=4 104 B6R1.10 CC1(CNC1)C PB36182 [0,0,0,1,0,0|3,0,0]=4 105 B6R1.10 CC1(CNC1)F PB35243 [0,0,0,1,0,0|3,0,0]=4 106 B6R1.10 CC1(CNC1)N PB18986 [0,0,0,1,0,0|3,0,0]=4 107 B6R1.10 CC1(CNC1)O PB26628 [0,0,0,1,0,0|2,0,0]=3 108 B6R1.10 CC1(COC1)C MB00151 [0,0,0,1,0,0|3,0,0]=4 109 B6R1.10 CC1(COC1)N PB14901 [0,0,0,1,0,0|3,0,0]=4 110 B6R1.10 CC1(COC1)O PB13891 [0,0,0,1,0,0|2,0,0]=3 111 B6R1.11 B(C1CC1)(O)O AB17174 [0,0,0,1,0,0|3,0,0]=4 112 B3R0.1 C(CCl)N AB03778 [2,0,0,0,0,0|2,0,0]=4 113 B3R0.2 C[S+](C)C AB01061 [2,0,0,0,0,0|2,0,0]=4 114 B5R0.3 C=C(CO)CO PB20901 [1,1,0,0,0,0|0,0,2]=4 115 B5R0.3 C[C@@H](CO)NC AB31545 [1,1,0,0,0,0|1,0,0]=3 116 B5R0.4 C[Si](C)(C)CO CB10021 [1,1,0,0,0,0|1,1,0]=4 117 B5R0.5 B(C(C)C)(O)O AB08847 [1,1,0,0,0,0|2,0,0]=4 118 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [1,1,0,0,0,0|1,0,1]=4 119 B5R0.5 C[C@@H](C(=O)O)N AB02601 [1,1,0,0,0,0|1,0,1]=4 120 B5R0.2 C(CC#N)CN AB52761 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.2 COCCON MB08235 [1,1,0,0,0,0|1,0,0]=3 122 B7R0.2 CCC(CC(=O)O)N AB01525 [0,2,0,0,0,0|1,0,1]=4 123 B7R0.3 COC(=O)CCCO AB65249 [0,2,0,0,0,0|0,0,2]=4 124 B7R0.3 C[C@H](CO)OCOC AB53701 [0,2,0,0,0,0|1,0,0]=3 125 B7R0.5 CC(C)C(CCO)N AB31007 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,2,0,0,0,0|2,0,0]=4 127 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.10 C([C@@H]([C@H](CO)N)N)O MB06933 [0,2,0,0,0,0|1,0,0]=3 129 B7R0.10 C([C@H]([C@@H](CO)N)N)O MB06944 [0,2,0,0,0,0|1,0,0]=3 130 B7R0.11 CCO[C@@](C)(CO)O AB31299 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.9 B(CC(C)(C)C)(O)O AB51406 [0,2,0,0,0,0|2,0,0]=4 132 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,2,0,0,0,0|1,0,1]=4 133 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.13 C[C@@](CO)(C(=O)O)N AB03932 [0,2,0,0,0,0|1,0,1]=4 135 B7R0.13 C[C@](CO)(C(=O)O)N AB03935 [0,2,0,0,0,0|1,0,1]=4 136 B7R0.14 C(C(C(F)(F)F)N)O AB60356 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.14 C([C@@H](C(F)(F)F)N)O AB77360 [0,2,0,0,0,0|2,0,0]=4 138 B7R0.14 C([C@H](C(F)(F)F)N)O AB60357 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.4 CC(C)CCN=C=O AB54602 [0,2,0,0,0,0|1,0,1]=4 140 B5R1.2 C1C(=O)CO1 PB20352 [1,0,0,1,0,0|0,0,2]=4 141 B5R1.2 C1C(CN1)N PB22346 [1,0,0,1,0,0|2,0,0]=4 142 B5R1.2 C1C(CN1)O PB18565 [1,0,0,1,0,0|1,0,0]=3 143 B5R1.2 C1C(CN1)S PB18372 [1,0,0,1,0,0|1,1,0]=4 144 B5R1.2 C1C(CO1)Br PB32639 [1,0,0,1,0,0|1,0,0]=3 145 B5R1.2 C1C(CO1)Cl PB33445 [1,0,0,1,0,0|1,0,0]=3 146 B5R1.2 C1C(CO1)F AB71732 [1,0,0,1,0,0|1,0,0]=3 147 B5R1.2 C1C(CO1)I PB20276 [1,0,0,1,0,0|1,0,0]=3 148 B5R1.2 C1C(CO1)N MB07029 [1,0,0,1,0,0|1,0,0]=3 149 B5R1.2 C1C(CO1)N PB31297 [1,0,0,1,0,0|1,0,0]=3 150 B5R1.2 C1C(CO1)O PB25111 [1,0,0,1,0,0|0,0,0]=2 151 B5R1.2 C1C(CO1)S PB31940 [1,0,0,1,0,0|0,1,0]=3 152 B5R1.2 C1C(CS1)N PB11400 [1,0,0,1,0,0|1,1,0]=4 153 B5R1.2 CC1CNC1 PB16157 [1,0,0,1,0,0|2,0,0]=4 154 B5R1.3 CNC1CC1 PB16260 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.1 C#CC1CCOC1 PB28898 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.1 C1C=CCC1CO PB12789 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.1 C1CC(OC1)CI AB24846 [0,1,0,1,0,0|1,0,0]=3 158 B7R1.1 C1CC(OC1)CN AB00408 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.1 C1CCC(C1)C=O AB02400 [0,1,0,1,0,0|1,0,1]=4 160 B7R1.1 C1CCC(C1)CBr AB50196 [0,1,0,1,0,0|2,0,0]=4 161 B7R1.1 C1CCC(C1)CI AB15507 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.1 C1CCC(C1)CN AB17884 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.1 C1CNCC1C#N PB12572 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.1 C1CNCC1CO PB15896 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.1 C1CNCC1CO PB31387 [0,1,0,1,0,0|1,0,0]=3 166 B7R1.1 C1CNC[C@@H]1C#N PB25426 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.1 C1CNC[C@@H]1CO PB12644 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.1 C1CNC[C@@H]1CO PB19010 [0,1,0,1,0,0|1,0,0]=3 169 B7R1.1 C1CNC[C@H]1C#N PB10931 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.1 C1CNC[C@H]1CO PB31350 [0,1,0,1,0,0|1,0,0]=3 171 B7R1.1 C1CNC[C@H]1CO PB32765 [0,1,0,1,0,0|1,0,0]=3 172 B7R1.1 C1COCC1C#N PB22187 [0,1,0,1,0,0|1,0,0]=3 173 B7R1.1 C1COCC1CBr PB10518 [0,1,0,1,0,0|1,0,0]=3 174 B7R1.1 C1COCC1CCl MB04735 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.1 C1COCC1CI PB23453 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.1 C1COCC1CN PB10526 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.1 C1COCC1CO PB30586 [0,1,0,1,0,0|0,0,0]=2 178 B7R1.1 C1COC[C@@H]1C#N PB19741 [0,1,0,1,0,0|1,0,0]=3 179 B7R1.1 C1COC[C@@H]1CN PB15453 [0,1,0,1,0,0|1,0,0]=3 180 B7R1.1 C1COC[C@@H]1CO PB30186 [0,1,0,1,0,0|0,0,0]=2 181 B7R1.1 C1COC[C@H]1C#N PB11493 [0,1,0,1,0,0|1,0,0]=3 182 B7R1.1 C1COC[C@H]1CN PB18204 [0,1,0,1,0,0|1,0,0]=3 183 B7R1.1 C1COC[C@H]1CO PB34870 [0,1,0,1,0,0|0,0,0]=2 184 B7R1.1 C1C[C@@H](NC1)CO PB21663 [0,1,0,1,0,0|2,0,0]=4 185 B7R1.1 C1C[C@H](NC1)CF PB15907 [0,1,0,1,0,0|2,0,0]=4 186 B7R1.1 C1C[C@H](NC1)CN PB13488 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.1 C1C[C@H](NC1)CO PB30520 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.1 CCC1CCCN1 AB12042 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.1 CCC1CCNC1 AB41905 [0,1,0,1,0,0|2,0,0]=4 190 B7R1.1 CC[C@@H]1CCNC1 AB74297 [0,1,0,1,0,0|2,0,0]=4 191 B7R1.1 CNC1CCOC1 PB17482 [0,1,0,1,0,0|1,0,0]=3 192 B7R1.1 CN[C@@H]1CCOC1 PB30485 [0,1,0,1,0,0|1,0,0]=3 193 B7R1.1 CN[C@H]1CCOC1 PB11771 [0,1,0,1,0,0|1,0,0]=3 194 B7R1.1 COC1CCNC1 PB31357 [0,1,0,1,0,0|1,0,0]=3 195 B7R1.1 CO[C@@H]1CCNC1 PB20659 [0,1,0,1,0,0|1,0,0]=3 196 B7R1.1 CO[C@@H]1CCNC1 PB26535 [0,1,0,1,0,0|1,0,0]=3 197 B7R1.1 CO[C@H]1CCNC1 PB10788 [0,1,0,1,0,0|1,0,0]=3 198 B7R1.2 C1CC(CC1N)O PB13684 [0,1,0,1,0,0|1,0,0]=3 199 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [0,1,0,1,0,0|1,0,0]=3 200 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [0,1,0,1,0,0|1,0,0]=3 201 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [0,1,0,1,0,0|1,0,0]=3 202 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,1,0,1,0,0|0,0,2]=4 203 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,1,0,1,0,0|0,0,2]=4 204 B7R1.2 CN1CCC(C1)Br AB65769 [0,1,0,1,0,0|2,0,0]=4 205 B7R1.2 CN1CCC(C1)N PB22385 [0,1,0,1,0,0|2,0,0]=4 206 B7R1.2 CN1CCC(C1)O PB32059 [0,1,0,1,0,0|1,0,0]=3 207 B7R1.2 CN1CC[C@@H](C1)N PB14641 [0,1,0,1,0,0|2,0,0]=4 208 B7R1.2 CN1CC[C@H](C1)N PB34450 [0,1,0,1,0,0|2,0,0]=4 209 B7R1.2 CN1CC[C@H](C1)O PB17320 [0,1,0,1,0,0|1,0,0]=3 210 B7R1.3 C1CC(=O)COC1 PB27461 [0,1,0,1,0,0|0,0,2]=4 211 B7R1.3 C1CC(CNC1)F PB33693 [0,1,0,1,0,0|2,0,0]=4 212 B7R1.3 C1CC(CNC1)O PB27381 [0,1,0,1,0,0|1,0,0]=3 213 B7R1.3 C1CC(CNC1)S PB34789 [0,1,0,1,0,0|1,1,0]=4 214 B7R1.3 C1CC(COC1)Br MB04535 [0,1,0,1,0,0|1,0,0]=3 215 B7R1.3 C1CC(COC1)N PB30901 [0,1,0,1,0,0|1,0,0]=3 216 B7R1.3 C1CC(COC1)O PB32182 [0,1,0,1,0,0|0,0,0]=2 217 B7R1.3 C1CCNC(C1)O MB03551 [0,1,0,1,0,0|1,0,0]=3 218 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,1,0,1,0,0|2,0,0]=4 219 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.3 C1CNCCC1Cl AB14164 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.3 C1CNCCC1F AB13264 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.3 C1CNCCC1F PB24811 [0,1,0,1,0,0|2,0,0]=4 223 B7R1.3 C1CNCCC1N AB11093 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.3 C1CNCCC1S PB26690 [0,1,0,1,0,0|1,1,0]=4 225 B7R1.3 C1COC(CN1)O CB11808 [0,1,0,1,0,0|1,0,0]=3 226 B7R1.3 C1COCC(=O)N1 PB29100 [0,1,0,1,0,0|0,0,2]=4 227 B7R1.3 C1COCC(=S)N1 AB72718 [0,1,0,1,0,0|0,1,1]=4 228 B7R1.3 C1COCC=C1I AB69543 [0,1,0,1,0,0|1,0,1]=4 229 B7R1.3 C1COCCC1=O PB24536 [0,1,0,1,0,0|0,0,2]=4 230 B7R1.3 C1COCCC1Br PB24975 [0,1,0,1,0,0|1,0,0]=3 231 B7R1.3 C1COCCC1Cl AB02848 [0,1,0,1,0,0|1,0,0]=3 232 B7R1.3 C1COCCC1I PB13042 [0,1,0,1,0,0|1,0,0]=3 233 B7R1.3 C1COCCC1N AB11128 [0,1,0,1,0,0|1,0,0]=3 234 B7R1.3 C1COCCC1N PB27421 [0,1,0,1,0,0|1,0,0]=3 235 B7R1.3 C1COCCC1O PB11583 [0,1,0,1,0,0|0,0,0]=2 236 B7R1.3 C1CSCCC1N AB32569 [0,1,0,1,0,0|1,1,0]=4 237 B7R1.3 C1C[C@@H](CNC1)F PB24269 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.3 C1C[C@@H](CNC1)N AB15031 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.3 C1C[C@@H](CNC1)O PB26394 [0,1,0,1,0,0|1,0,0]=3 240 B7R1.3 C1C[C@H](CNC1)F PB38654 [0,1,0,1,0,0|2,0,0]=4 241 B7R1.3 C1C[C@H](CNC1)N AB29962 [0,1,0,1,0,0|2,0,0]=4 242 B7R1.3 C1C[C@H](CNC1)O PB20930 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.3 C1C[C@H](CNC1)O PB25197 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.3 CC1CCCNC1 AB00557 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.3 CC1CNCCO1 PB23610 [0,1,0,1,0,0|1,0,0]=3 246 B7R1.3 CC1COCCN1 AB49614 [0,1,0,1,0,0|1,0,0]=3 247 B7R1.3 C[C@@H]1CNCCN1 AB04653 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,1,0,1,0,0|1,0,0]=3 249 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,1,0,1,0,0|1,0,0]=3 250 B7R1.3 C[C@H]1CNCCN1 AB04288 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.3 C[C@H]1CNCCN1 AB14223 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.3 C[C@H]1CNCCN1 AB63406 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,1,0,1,0,0|1,0,0]=3 254 B7R1.3 C[C@H]1COCCN1 AB16412 [0,1,0,1,0,0|1,0,0]=3 255 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,1,0,1,0,0|0,0,1]=3 257 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [0,1,0,1,0,0|1,0,0]=3 258 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [0,1,0,1,0,0|1,0,0]=3 259 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [0,1,0,1,0,0|1,0,0]=3 260 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [0,1,0,1,0,0|1,0,0]=3 261 B7R1.4 C1[C@@H]([C@H](CN1)F)F PB37373 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.4 C1[C@@H]([C@H](CN1)O)O PB16044 [0,1,0,1,0,0|1,0,0]=3 263 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38160 [0,1,0,1,0,0|1,0,0]=3 264 B7R1.4 C1[C@@H]([C@H](CO1)N)N PB38162 [0,1,0,1,0,0|1,0,0]=3 265 B7R1.4 C1[C@H]([C@@H](CN1)F)O PB36321 [0,1,0,1,0,0|1,0,0]=3 266 B7R1.4 C1[C@H]([C@@H](CN1)O)O PB26398 [0,1,0,1,0,0|1,0,0]=3 267 B7R1.4 C1[C@H]([C@@H](CO1)N)N PB19676 [0,1,0,1,0,0|1,0,0]=3 268 B7R1.4 C1[C@H]([C@H](CN1)F)F PB36231 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.4 C1[C@H]([C@H](CN1)O)O PB35093 [0,1,0,1,0,0|1,0,0]=3 270 B7R1.4 C1[C@H]([C@H](CO1)N)N PB18249 [0,1,0,1,0,0|1,0,0]=3 271 B7R1.6 C1C(CO1)CC=O PB14037 [0,1,0,1,0,0|0,0,2]=4 272 B7R1.6 C1C(CO1)CCN AB76310 [0,1,0,1,0,0|1,0,0]=3 273 B7R1.6 C1C(CO1)CCO PB15326 [0,1,0,1,0,0|0,0,0]=2 274 B7R1.6 C1CC(C1)CCN PB23748 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.6 CCNC1COC1 PB13879 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.6 CNCC1COC1 PB36516 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.8 C1CC(=O)C1CO PB37542 [0,1,0,1,0,0|0,0,2]=4 278 B7R1.10 C1C(CC1=O)CO PB17805 [0,1,0,1,0,0|0,0,2]=4 279 B7R1.10 C1C(CC1Cl)CO PB34804 [0,1,0,1,0,0|1,0,0]=3 280 B7R1.10 C1C(CC1F)CN PB38656 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.10 C1C(CC1N)CO PB17688 [0,1,0,1,0,0|1,0,0]=3 282 B7R1.10 C1C(CC1N)CO PB21400 [0,1,0,1,0,0|1,0,0]=3 283 B7R1.10 C1C(CC1O)CN PB13605 [0,1,0,1,0,0|1,0,0]=3 284 B7R1.10 C1[C@@H](C[C@@H]1CN)F PB35344 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB27029 [0,1,0,1,0,0|1,0,0]=3 286 B7R1.10 C1[C@@H](C[C@@H]1CN)O PB35521 [0,1,0,1,0,0|1,0,0]=3 287 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB19477 [0,1,0,1,0,0|1,0,0]=3 288 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB27028 [0,1,0,1,0,0|1,0,0]=3 289 B7R1.10 C1[C@@H](C[C@H]1CN)F PB36542 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.10 C1[C@@H](C[C@H]1CN)O PB11268 [0,1,0,1,0,0|1,0,0]=3 291 B7R1.10 C1[C@@H](C[C@H]1CN)O PB38808 [0,1,0,1,0,0|1,0,0]=3 292 B7R1.10 C1[C@@H](C[C@H]1CO)N PB18381 [0,1,0,1,0,0|1,0,0]=3 293 B7R1.10 C1[C@@H](C[C@H]1CO)N PB34902 [0,1,0,1,0,0|1,0,0]=3 294 B7R1.10 CCN1CC(C1)N PB30345 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.10 CCN1CC(C1)O PB27080 [0,1,0,1,0,0|1,0,0]=3 296 B7R1.10 CNC1CC(C1)O PB36492 [0,1,0,1,0,0|1,0,0]=3 297 B7R1.10 CN[C@H]1C[C@@H](C1)O PB25695 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.10 CN[C@H]1C[C@H](C1)O PB35156 [0,1,0,1,0,0|1,0,0]=3 299 B7R1.10 COC1CC(C1)N PB11210 [0,1,0,1,0,0|1,0,0]=3 300 B7R1.10 CO[C@H]1C[C@@H](C1)N PB15524 [0,1,0,1,0,0|1,0,0]=3 301 B7R1.10 CO[C@H]1C[C@@H](C1)N PB36079 [0,1,0,1,0,0|1,0,0]=3 302 B7R1.10 CO[C@H]1C[C@H](C1)N PB16800 [0,1,0,1,0,0|1,0,0]=3 303 B7R1.10 CO[C@H]1C[C@H](C1)N PB37429 [0,1,0,1,0,0|1,0,0]=3 304 B7R1.25 C1C(CO1)(CN)O PB27235 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.25 C1CC(C1)(CO)N PB16437 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.25 CC1(CCC1)CN PB11165 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.25 CC1(CNC1)OC PB25362 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.25 CC1(COC1)CO PB20862 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.25 CCC1(CNC1)O PB13452 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,1,0,1,0,0|1,0,1]=4 311 B7R1.16 C1C(CC1(F)F)Br PB15591 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.16 C1C(CC1(F)F)N AB64937 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.16 C1C(CC1(F)F)N PB26553 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.16 C1C(CC1(F)F)O PB30337 [0,1,0,1,0,0|1,0,0]=3 315 B7R1.16 CC1(CC(C1)O)N PB38639 [0,1,0,1,0,0|1,0,0]=3 316 B7R1.16 C[C@]1(C[C@@H](C1)N)O PB37614 [0,1,0,1,0,0|1,0,0]=3 317 B7R1.16 C[C@]1(C[C@@H](C1)O)N PB37848 [0,1,0,1,0,0|1,0,0]=3 318 B7R1.16 C[C@]1(C[C@H](C1)N)O PB38993 [0,1,0,1,0,0|1,0,0]=3 319 B7R1.16 C[C@]1(C[C@H](C1)O)N PB36691 [0,1,0,1,0,0|1,0,0]=3 320 B7R1.20 C1CC1CC(=O)O PB21648 [0,1,0,1,0,0|1,0,1]=4 321 B7R1.18 C1C(CO1)C(=O)O PB18896 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.18 C1COC1C(=O)O PB26385 [0,1,0,1,0,0|1,0,1]=4 323 B7R1.18 CC(C1CCC1)O CB10183 [0,1,0,1,0,0|1,0,0]=3 324 B7R1.23 C1C(C1(F)F)CBr AB29725 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.23 C1C(C1(F)F)CN AB68662 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.7 C1CC1OCCCl AB18070 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.14 C1CNCC1(F)F AB49393 [0,1,0,1,0,0|2,0,0]=4 328 B7R1.14 C1CNCC1(F)F PB20854 [0,1,0,1,0,0|2,0,0]=4 329 B7R1.14 CC1(CCCN1)C PB25045 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.14 CC1(CCNC1)C PB14755 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.14 CC1(CCNC1)O PB19348 [0,1,0,1,0,0|1,0,0]=3 332 B7R1.14 CC1(CCOC1)N PB13539 [0,1,0,1,0,0|1,0,0]=3 333 B7R2.13 C1C2C1CNC2 AB58452 [0,0,0,2,0,0|2,0,0]=4 334 B7R2.13 C1C2C1CNC2 PB15056 [0,0,0,2,0,0|2,0,0]=4 335 B7R2.13 C1CNC2C1C2 PB29591 [0,0,0,2,0,0|2,0,0]=4