0 B7R0.1 CNCCCCC=C CB11323 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 CCCNCCC AB02251 [1,0,0,0,0,0|1,0,1]=3 2 B6R0.6 COCCCON MB19791 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.6 COCCN=C=O AB50988 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.7 B(CCCCCC)(O)O AB08083 [0,1,0,0,0,0|1,0,1]=3 5 B8R1.2 C#CC1CCCNC1 PB26666 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.2 C#CC1CCCOC1 PB11321 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.2 C#CC1CCNCC1 PB19413 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.2 C#CC1CCOCC1 PB24300 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.2 C#CC1CCSCC1 PB39036 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.2 C1CC(CNC1)C#N AB09048 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.2 C1CC(CNC1)C#N PB31344 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.2 C1CC(CNC1)CN AB17390 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.2 C1CC(CNC1)CO PB21599 [0,0,0,1,0,0|1,0,2]=4 14 B8R1.2 C1CC(COC1)C=O AB16155 [0,0,0,1,0,0|1,0,0]=2 15 B8R1.2 C1CC(COC1)CBr PB14565 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.2 C1CC(COC1)CN PB23481 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.2 C1CC(COC1)CO PB12514 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.2 C1CC(OC=C1)C=O PB24581 [0,0,0,1,0,0|1,0,2]=4 19 B8R1.2 C1CCN(CC1)CCl AB16725 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.2 C1CCNC(C1)C#N AB13841 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.2 C1CCNC(C1)C=O AB52540 [0,0,0,1,0,0|1,0,0]=2 22 B8R1.2 C1CCOC(C1)C=O MB05934 [0,0,0,1,0,0|1,0,0]=2 23 B8R1.2 C1CCOC(C1)CBr MB00206 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.2 C1CCOC(C1)CN AB28292 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.2 C1CCOC(C1)CO AB00784 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.2 C1CNCCC1C#N PB14665 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.2 C1CNCCC1C=O AB52543 [0,0,0,1,0,0|1,0,0]=2 28 B8R1.2 C1CNCCC1CBr AB52518 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.2 C1CNCCC1CBr MB02967 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.2 C1CNCCC1CF PB14869 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.2 C1CNCCC1CO PB10118 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.2 C1COCCC1C#N PB20297 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.2 C1COCCC1C=O AB14645 [0,0,0,1,0,0|1,0,0]=2 34 B8R1.2 C1COCCC1CBr PB20063 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.2 C1COCCC1CCl AB71513 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.2 C1COCCC1CI PB24898 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.2 C1COCCC1CN AB14272 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.2 C1COCCC1CN PB27569 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.2 C1COCCC1CO PB18487 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.2 C1COCCC1NN PB16645 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.2 C1CSCCC1C#N PB29580 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.2 C1CSCCC1C=O AB14650 [0,0,0,1,0,0|1,0,0]=2 43 B8R1.2 C1CSCCC1CN PB35740 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.2 C1CSCCC1CO PB28111 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.2 C1C[C@@H](CNC1)C#N PB37391 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.2 C1C[C@H](CNC1)C#N PB37352 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.2 CCC1CNCCN1 AB13949 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.2 CCC1CNCCO1 AB49621 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.2 CCC1COCCN1 AB49617 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.2 CNC1CCNCC1 PB15642 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.2 CNC1CCOCC1 PB29392 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.2 COC1CCCNC1 PB14414 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.2 COC1CCNCC1 PB10390 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.2 COC1CCNCC1 PB34075 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.2 CO[C@H]1CCCNC1 PB13690 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.2 CO[C@H]1CCCNC1 PB31836 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.2 CSC1CCNCC1 PB22682 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,0,0,1,0,0|1,0,0]=2 62 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,0,0,1,0,0|1,0,2]=4 63 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,0,0,1,0,0|1,0,2]=4 64 B8R1.5 C1CC[C@H]([C@@H](C1)N)N AB07531 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,0,0,1,0,0|1,0,2]=4 66 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.5 C1CNCC(C1=O)F PB20587 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.5 C1COCC(C1=O)Br PB18064 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.5 C1COCC(C1=O)F PB28362 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.5 CC1CCNCC1=O PB36769 [0,0,0,1,0,0|1,0,0]=2 75 B8R1.5 CC1CCNCC1O PB36981 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.5 CC1CNCCC1=O PB23474 [0,0,0,1,0,0|1,0,0]=2 77 B8R1.5 CC1COCCC1=O PB26907 [0,0,0,1,0,0|1,0,0]=2 78 B8R1.5 CN1CCNCC1=O PB24934 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,0,0,1,0,0|1,0,2]=4 81 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.8 C#CCN1CCCC1 AB15844 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.8 C1CC(NC1)CCO CB10162 [0,0,0,1,0,0|1,0,2]=4 89 B8R1.8 C1CC(NC1)CCO PB35354 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.8 C1CC(OC1)CC#N MB02666 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.8 C1CC(OC1)CC=O AB76318 [0,0,0,1,0,0|1,0,0]=2 92 B8R1.8 C1CC(OC1)CCI AB76593 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.8 C1CC(OC1)CCN AB30605 [0,0,0,1,0,0|1,0,2]=4 94 B8R1.8 C1CCC(C1)CCN AB02350 [0,0,0,1,0,0|1,0,1]=3 95 B8R1.8 C1CCC(C1)CON CB11464 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.8 C1CCC(C1)N=C=O AB10807 [0,0,0,1,0,0|1,0,1]=3 97 B8R1.8 C1CNCC1CCO PB20322 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.8 C1COCC1CC=O AB75447 [0,0,0,1,0,0|1,0,0]=2 99 B8R1.8 C1COCC1CCI AB75456 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.8 C1COCC1CCN AB45457 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.8 CCCC1CCCN1 AB12028 [0,0,0,1,0,0|1,0,1]=3 102 B8R1.8 CCO[C@@H]1CCNC1 PB10951 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.8 CCO[C@H]1CCNC1 PB29117 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.8 COCC1CCNC1 PB18902 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.8 COC[C@@H]1CCCN1 PB10025 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.8 COC[C@@H]1CCNC1 PB35406 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.8 COC[C@H]1CCCN1 PB15637 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.8 COC[C@H]1CCNC1 PB35853 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.10 C1CC(C1)CN=C=O AB74239 [0,0,0,1,0,0|1,0,1]=3 110 B8R1.10 CCCOC1CNC1 AB30389 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.11 C1C(C(=O)CO1)C#N PB39082 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.11 C1C(C(=O)CS1)C#N PB17090 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,0,0,1,0,0|1,0,2]=4 114 B8R1.11 C1C[C@H]([C@H](C1)N)CO AB50601 [0,0,0,1,0,0|1,0,2]=4 115 B8R1.11 CN1CCC[C@@H]1CN PB21275 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.11 CN1CCC[C@@H]1CO PB17412 [0,0,0,1,0,0|1,0,2]=4 117 B8R1.11 CN1CCC[C@H]1CN PB34570 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,0,0,1,0,0|1,0,0]=2 119 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,0,0,1,0,0|1,0,0]=2 120 B8R1.22 C1CC(CCNC1)F PB33307 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.22 C1CC(CCNC1)O PB18652 [0,0,0,1,0,0|1,0,2]=4 122 B8R1.22 C1CC(CCOC1)N AB70734 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.22 C1CCNCC(C1)N AB11528 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.22 C1CCNC[C@@H](C1)N PB20876 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.22 C1CNCCNC1=O AB07054 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.22 CC1CCNCCN1 PB17623 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.22 C[C@H]1CNCCCN1 AB72341 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.36 COCCNC1CC1 MB07709 [0,0,0,1,0,0|3,0,0]=4 130 B7R0.4 B(CCCCC)(O)O AB08098 [1,1,0,0,0,0|1,0,1]=4 131 B7R0.4 CC(C)CCN=C=O AB54602 [1,1,0,0,0,0|1,0,1]=4 132 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [1,1,0,0,0,0|2,0,0]=4 133 B9R0.4 CCCCC(CC(=O)O)N AB08231 [0,2,0,0,0,0|0,0,0]=2 134 B9R0.34 CCOC(=O)CC(C=O)Cl AB76485 [0,2,0,0,0,0|1,0,1]=4 135 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,2,0,0,0,0|0,0,2]=4 136 B9R0.2 B(\C=C\CCCCC)(O)O AB08058 [0,2,0,0,0,0|0,0,2]=4 137 B9R0.45 CCCCCCNCCN AB05874 [0,2,0,0,0,0|1,0,1]=4 138 B7R1.1 C1C=CCC1C=O AB76805 [1,0,0,1,0,0|0,0,2]=4 139 B7R1.1 C1CC(OC1)CI AB24846 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.1 C1CC(OC1)CN AB00408 [1,0,0,1,0,0|1,0,1]=4 141 B7R1.1 C1CC=C(C1)CBr PB30182 [1,0,0,1,0,0|1,0,1]=4 142 B7R1.1 C1CCC(C1)C=O AB02400 [1,0,0,1,0,0|0,0,0]=2 143 B7R1.1 C1CCC(C1)CBr AB50196 [1,0,0,1,0,0|1,0,0]=3 144 B7R1.1 C1CCC(C1)CI AB15507 [1,0,0,1,0,0|1,0,0]=3 145 B7R1.1 C1CCC(C1)CN AB17884 [1,0,0,1,0,0|1,0,0]=3 146 B7R1.1 C1CNCC1CO PB15896 [1,0,0,1,0,0|1,0,1]=4 147 B7R1.1 C1CNCC1CO PB31387 [1,0,0,1,0,0|1,0,1]=4 148 B7R1.1 C1CNC[C@@H]1CO PB12644 [1,0,0,1,0,0|1,0,1]=4 149 B7R1.1 C1CNC[C@@H]1CO PB19010 [1,0,0,1,0,0|1,0,1]=4 150 B7R1.1 C1CNC[C@H]1CO PB31350 [1,0,0,1,0,0|1,0,1]=4 151 B7R1.1 C1CNC[C@H]1CO PB32765 [1,0,0,1,0,0|1,0,1]=4 152 B7R1.1 C1COCC1CBr PB10518 [1,0,0,1,0,0|2,0,0]=4 153 B7R1.1 C1COCC1CCl MB04735 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.1 C1COCC1CI PB23453 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.1 C1COCC1CN PB10526 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.1 C1COCC1CO PB30586 [1,0,0,1,0,0|1,0,1]=4 157 B7R1.1 C1COC[C@@H]1CN PB15453 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.1 C1COC[C@@H]1CO PB30186 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.1 C1COC[C@H]1CN PB18204 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.1 C1COC[C@H]1CO PB34870 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.1 C1C[C@@H](NC1)CO PB21663 [1,0,0,1,0,0|1,0,1]=4 162 B7R1.1 C1C[C@H](NC1)CF PB15907 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.1 C1C[C@H](NC1)CN PB13488 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.1 C1C[C@H](NC1)CO PB30520 [1,0,0,1,0,0|1,0,1]=4 165 B7R1.1 CCC1CCCN1 AB12042 [1,0,0,1,0,0|1,0,0]=3 166 B7R1.1 CCC1CCNC1 AB41905 [1,0,0,1,0,0|1,0,1]=4 167 B7R1.1 CC[C@@H]1CCNC1 AB74297 [1,0,0,1,0,0|1,0,1]=4 168 B7R1.3 C1CC(=O)CNC1 AB27650 [1,0,0,1,0,0|1,0,0]=3 169 B7R1.3 C1CC(=O)CNC1 PB26241 [1,0,0,1,0,0|1,0,0]=3 170 B7R1.3 C1CC(=O)COC1 PB27461 [1,0,0,1,0,0|1,0,0]=3 171 B7R1.3 C1CC(=O)CSC1 PB28980 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.3 C1CC(CNC1)F PB33693 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.3 C1CC(CNC1)O PB27381 [1,0,0,1,0,0|1,0,1]=4 174 B7R1.3 C1CC(CNC1)S PB34789 [1,0,0,1,0,0|1,1,0]=4 175 B7R1.3 C1CC(COC1)Br MB04535 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.3 C1CC(COC1)N PB30901 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.3 C1CC(COC1)O PB32182 [1,0,0,1,0,0|1,0,1]=4 178 B7R1.3 C1CCNC(C1)O MB03551 [1,0,0,1,0,0|1,0,1]=4 179 B7R1.3 C1CCO[C@@H](C1)N MB06981 [1,0,0,1,0,0|1,0,1]=4 180 B7R1.3 C1CCO[C@H](C1)N MB06978 [1,0,0,1,0,0|1,0,1]=4 181 B7R1.3 C1CNC(=O)CN1 PB23229 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.3 C1CNCCC1=O PB32095 [1,0,0,1,0,0|1,0,0]=3 183 B7R1.3 C1CNCCC1Cl AB14164 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.3 C1CNCCC1F AB13264 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.3 C1CNCCC1F PB24811 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.3 C1CNCCC1N AB11093 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.3 C1CNCCC1S PB26690 [1,0,0,1,0,0|1,1,0]=4 188 B7R1.3 C1COC(=O)CN1 AB71646 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.3 C1COCC(=O)N1 PB29100 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.3 C1COCCC1=O PB24536 [1,0,0,1,0,0|1,0,0]=3 191 B7R1.3 C1COCCC1Br PB24975 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.3 C1COCCC1Cl AB02848 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.3 C1COCCC1I PB13042 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.3 C1COCCC1N AB11128 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.3 C1COCCC1N PB27421 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.3 C1COCCC1O PB11583 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.3 C1CSCCC1=O PB25896 [1,0,0,1,0,0|1,0,0]=3 198 B7R1.3 C1CSCCC1N AB32569 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.3 C1C[C@@H](CNC1)F PB24269 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.3 C1C[C@@H](CNC1)N AB15031 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.3 C1C[C@@H](CNC1)O PB26394 [1,0,0,1,0,0|1,0,1]=4 202 B7R1.3 C1C[C@H](CNC1)F PB38654 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.3 C1C[C@H](CNC1)N AB29962 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.3 C1C[C@H](CNC1)O PB20930 [1,0,0,1,0,0|1,0,1]=4 205 B7R1.3 C1C[C@H](CNC1)O PB25197 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.3 CC1CCCNC1 AB00557 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.3 CC1CNCCO1 PB23610 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.3 CC1COCCN1 AB49614 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.3 C[C@@H]1CNCCN1 AB04653 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.3 C[C@@H]1CNCCO1 PB14859 [1,0,0,1,0,0|1,0,1]=4 211 B7R1.3 C[C@@H]1COCCN1 AB62216 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.3 C[C@H]1CNCCN1 AB04288 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.3 C[C@H]1CNCCN1 AB14223 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.3 C[C@H]1CNCCN1 AB63406 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.3 C[C@H]1CNCCO1 PB26597 [1,0,0,1,0,0|1,0,1]=4 216 B7R1.3 C[C@H]1COCCN1 AB16412 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [1,0,0,1,0,0|1,0,1]=4 222 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.6 C1C(CO1)CC=O PB14037 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.6 C1C(CO1)CCN AB76310 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.6 C1C(CO1)CCO PB15326 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.6 C1CC(C1)CC=O AB49507 [1,0,0,1,0,0|0,0,0]=2 229 B7R1.6 C1CC(C1)CCN PB23748 [1,0,0,1,0,0|1,0,0]=3 230 B7R1.6 C1CC(C1)N=C=O AB55242 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.6 C1CN(C1)CCCl PB37452 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.6 COCC1CCN1 PB36845 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.6 COC[C@@H]1CCN1 PB36728 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.6 COC[C@H]1CCN1 PB28355 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.7 C1CC1CN=C=O AB71485 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.7 C1CC1OCCCl AB18070 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.8 C1CC(=O)C1CO PB37542 [1,0,0,1,0,0|1,0,0]=3 238 B7R1.8 CN1CCC1CN PB37073 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.8 CN1CC[C@@H]1CN PB35830 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.8 CN1CC[C@H]1CN PB38844 [1,0,0,1,0,0|2,0,0]=4 241 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,1,0,1,0,0|0,0,0]=2 245 B9R1.2 CCC1COCC(=O)N1 AB56433 [0,1,0,1,0,0|1,0,0]=3 246 B9R1.7 CCOC1CCC(=O)N1 AB15019 [0,1,0,1,0,0|1,0,0]=3 247 B9R1.8 C#CCC1CCOCC1 AB85640 [0,1,0,1,0,0|1,0,1]=4 248 B9R1.8 C#CCN1CCCCC1 AB06369 [0,1,0,1,0,0|1,0,1]=4 249 B9R1.8 C1CC(COC1)CC#N MB05839 [0,1,0,1,0,0|1,0,1]=4 250 B9R1.8 C1CC(COC1)CCN MB05843 [0,1,0,1,0,0|1,0,1]=4 251 B9R1.8 C1CCC(CC1)CC#N AB02345 [0,1,0,1,0,0|1,0,1]=4 252 B9R1.8 C1CCC(CC1)CC=O MB02401 [0,1,0,1,0,0|0,0,0]=2 253 B9R1.8 C1CCC(CC1)CCN AB02346 [0,1,0,1,0,0|1,0,1]=4 254 B9R1.8 C1CCC(CC1)CCN AB09885 [0,1,0,1,0,0|1,0,1]=4 255 B9R1.8 C1CCC(CC1)CNN AB23600 [0,1,0,1,0,0|1,0,1]=4 256 B9R1.8 C1CCC(CC1)N=C=O AB00329 [0,1,0,1,0,0|0,0,1]=3 257 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [0,1,0,1,0,0|0,0,2]=4 258 B9R1.8 C1CCOC(C1)CC#N MB05835 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.8 C1CCOC(C1)CCN AB28415 [0,1,0,1,0,0|0,0,2]=4 260 B9R1.8 C1COCCC1CC#N AB21392 [0,1,0,1,0,0|1,0,1]=4 261 B9R1.8 C1COCCC1CC=O PB20812 [0,1,0,1,0,0|0,0,0]=2 262 B9R1.8 C1COCCC1CCBr AB52526 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.8 C1COCCC1CCI AB69545 [0,1,0,1,0,0|1,0,1]=4 264 B9R1.8 C1COCCC1CCN AB14269 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.8 C1COCCC1CCN PB34023 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.8 C1COCCC1CCO PB27428 [0,1,0,1,0,0|0,0,2]=4 267 B9R1.8 C1COCCC1N=C=O AB70499 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.8 C1CSCCC1CC=O AB14652 [0,1,0,1,0,0|0,0,0]=2 269 B9R1.8 CCCC1CNCCO1 AB70522 [0,1,0,1,0,0|0,0,2]=4 270 B9R1.8 CCCC1COCCN1 AB53847 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.8 CNCC1CCCCO1 AB45928 [0,1,0,1,0,0|0,0,2]=4 272 B9R1.8 CNCC1CCNCC1 AB28325 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.8 CNCC1CCOCC1 PB32464 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.8 COCC1CCCCN1 MB02439 [0,1,0,1,0,0|1,0,1]=4 275 B9R1.8 COCC1CCNCC1 PB18718 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.12 C1CCC(C1)CN=C=O AB55252 [0,1,0,1,0,0|0,0,1]=3 277 B9R1.12 CCCCC1CCCN1 AB12052 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.15 C1CC[C@H]([C@@H](C1)C#N)O AB03956 [0,1,0,1,0,0|1,0,1]=4 279 B9R1.15 C1CC[C@H]([C@@H](C1)CN)N AB29959 [0,1,0,1,0,0|1,0,1]=4 280 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O AB23390 [0,1,0,1,0,0|0,0,2]=4 281 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB03960 [0,1,0,1,0,0|0,0,2]=4 282 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N AB49818 [0,1,0,1,0,0|0,0,2]=4 283 B9R1.15 C1CC[C@H]([C@H](C1)CN)N AB29958 [0,1,0,1,0,0|1,0,1]=4 284 B9R1.15 C1CC[C@H]([C@H](C1)CN)O AB03894 [0,1,0,1,0,0|0,0,2]=4 285 B9R1.15 C1CC[C@H]([C@H](C1)CO)N AB03895 [0,1,0,1,0,0|0,0,2]=4 286 B9R1.15 C1CNCC(C1=O)C#N PB21729 [0,1,0,1,0,0|1,0,1]=4 287 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,1,0,1,0,0|0,0,0]=2 288 B9R1.15 CCC1C(=O)NCCN1 AB22426 [0,1,0,1,0,0|1,0,0]=3 289 B9R1.15 CCC1CCCCC1=O AB02693 [0,1,0,1,0,0|0,0,0]=2 290 B9R1.15 CCC1COCCC1=O AB75455 [0,1,0,1,0,0|0,0,0]=2 291 B9R1.15 CCN1CCNCC1=O AB30261 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [0,1,0,1,0,0|1,0,0]=3 293 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [0,1,0,1,0,0|1,0,0]=3 294 B9R1.15 CN[C@@H]1CCCC[C@@H]1O AB30960 [0,1,0,1,0,0|0,0,2]=4 295 B9R1.15 CN[C@@H]1CCCC[C@H]1O AB30957 [0,1,0,1,0,0|0,0,2]=4 296 B9R1.15 CN[C@H]1CCCC[C@@H]1O AB43551 [0,1,0,1,0,0|0,0,2]=4 297 B9R1.15 CN[C@H]1CCCC[C@H]1O AB49073 [0,1,0,1,0,0|0,0,2]=4 298 B9R1.15 COC1COCCC1=O PB17702 [0,1,0,1,0,0|1,0,0]=3 299 B9R1.33 CCCN1CCCC1=O AB51341 [0,1,0,1,0,0|0,0,0]=2 300 B9R1.33 CN1CCCC1CCN AB00295 [0,1,0,1,0,0|1,0,1]=4 301 B9R1.33 CN1CCC[C@@H]1CCN PB32997 [0,1,0,1,0,0|1,0,1]=4 302 B9R1.33 CN1CCC[C@H]1CCN PB31004 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.48 CN1CCCCC(C1)N MB07245 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,1,0,1,0,0|1,0,0]=3 306 B9R1.49 CN1CCCC(CC1)N PB18198 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.49 CN1CCCC(CC1)O PB20925 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.69 CC1CN(CCC1=O)C AB03409 [0,1,0,1,0,0|1,0,0]=3 309 B9R1.69 CC1CNC(C(=O)N1)C AB71858 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.69 CN1CC(CCC1=O)N PB13136 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.69 C[C@@H]1CNC(=O)[C@@H](N1)C AB72319 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C AB72313 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.69 C[C@@H]1CN[C@@H](C(=O)N1)C AB72308 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.69 C[C@@H]1CN[C@H](C(=O)N1)C AB72305 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C AB72316 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.69 C[C@H]1CNC(=O)[C@H](N1)C AB72314 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.69 C[C@H]1CN[C@@H](C(=O)N1)C AB72311 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.69 C[C@H]1CN[C@H](C(=O)N1)C AB72303 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.178 CC[C@H]1C[C@@]1(\C=C\C)N MB69386 [0,1,0,1,0,0|1,0,1]=4 320 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [0,1,0,1,0,0|0,0,2]=4 321 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [0,1,0,1,0,0|0,0,2]=4 322 B9R1.5 CN1CCNCCC1=O AB49613 [0,1,0,1,0,0|1,0,0]=3 323 B9R1.14 CCN1CCCC1CN PB19842 [0,1,0,1,0,0|1,0,1]=4 324 B9R1.14 CCN1CCC[C@@H]1CN AB53972 [0,1,0,1,0,0|1,0,1]=4 325 B9R1.14 CCN1CCC[C@@H]1CN PB18512 [0,1,0,1,0,0|1,0,1]=4 326 B9R1.89 C1CC(CCNC1)C#N PB37104 [0,1,0,1,0,0|1,0,1]=4 327 B9R1.89 COC1CCCNCC1 PB16681 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.1 C1CC(=O)CCC1C=O AB21200 [0,1,0,1,0,0|0,0,1]=3 329 B9R1.1 C1CC(CCC1CO)O CB11469 [0,1,0,1,0,0|0,0,2]=4 330 B9R1.1 C1[C@@H](CC[C@@H](C1)N)CO PB25585 [0,1,0,1,0,0|0,0,2]=4 331 B9R1.1 C1[C@@H](CC[C@H](C1)N)CO PB15013 [0,1,0,1,0,0|0,0,2]=4 332 B9R1.1 CN[C@H]1CC[C@@H](CC1)O PB13112 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.1 CN[C@H]1CC[C@H](CC1)O PB22804 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.3 CN1CCCC(C1=O)N PB20691 [0,1,0,1,0,0|1,0,0]=3 335 B9R1.118 C1CCC(CC1)(C#N)Br MB13673 [0,1,0,1,0,0|1,0,1]=4 336 B9R1.118 C1CCC(CC1)(C#N)Cl MB00771 [0,1,0,1,0,0|1,0,1]=4 337 B9R1.6 B(C1CCCCC1)(O)O AB08478 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.6 C1CC(CNC1)C(=O)N PB19847 [0,1,0,1,0,0|1,0,0]=3 339 B9R1.6 C1CC(COC1)C(=O)O PB24847 [0,1,0,1,0,0|1,0,0]=3 340 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [0,1,0,1,0,0|1,0,0]=3 341 B9R1.6 C1CCNC(C1)C(=O)N AB21908 [0,1,0,1,0,0|1,0,0]=3 342 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,1,0,1,0,0|1,0,0]=3 343 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,1,0,1,0,0|1,0,0]=3 344 B9R1.6 C1CNC(CN1)C(=O)O AB01992 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.6 C1CNCCC1C(=N)N AB22053 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.6 C1CNCCC1C(=O)N PB25917 [0,1,0,1,0,0|1,0,0]=3 347 B9R1.6 C1CNCCC1C(=O)O AB00566 [0,1,0,1,0,0|1,0,0]=3 348 B9R1.6 C1CN[C@@H](CN1)C(=O)O AB08722 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.6 C1CN[C@@H](CN1)C(=O)O PB24733 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.6 C1CN[C@H](CN1)C(=O)O PB21831 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.6 C1COC(CN1)C(=O)O MB02947 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.6 C1COCC(N1)C(=O)O PB12912 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.6 C1COCCC1C(=N)N PB32880 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.6 C1COCCC1C(=O)O PB14093 [0,1,0,1,0,0|1,0,0]=3 355 B9R1.6 C1COC[C@@H](N1)C(=O)O PB23346 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.6 C1COC[C@H](N1)C(=O)O PB30767 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.6 C1CO[C@@H](CN1)C(=O)O MB08517 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.6 C1CO[C@H](CN1)C(=O)O MB09173 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.6 C1CSCCC1C(=O)O PB25232 [0,1,0,1,0,0|1,0,0]=3 360 B9R1.6 C1CSC[C@@H](N1)C(=O)O AB19234 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.6 C1CSC[C@H](N1)C(=O)O AB08732 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.6 C1C[C@@H](CC=C1)C(=O)O PB18863 [0,1,0,1,0,0|0,0,2]=4 363 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB11551 [0,1,0,1,0,0|1,0,0]=3 364 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB31846 [0,1,0,1,0,0|1,0,0]=3 365 B9R1.6 C1C[C@@H](CNC1)C(=O)O PB29158 [0,1,0,1,0,0|1,0,0]=3 366 B9R1.6 C1C[C@H](CC=C1)C(=O)O PB29511 [0,1,0,1,0,0|0,0,2]=4 367 B9R1.6 C1C[C@H](CNC1)C(=O)N PB24496 [0,1,0,1,0,0|1,0,0]=3 368 B9R1.6 C1C[C@H](CNC1)C(=O)N PB31844 [0,1,0,1,0,0|1,0,0]=3 369 B9R1.6 C1C[C@H](CNC1)C(=O)O PB30681 [0,1,0,1,0,0|1,0,0]=3 370 B9R1.6 CC(C)C1CCCCN1 AB12062 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.13 C1CNCC1CC(=O)O PB14239 [0,1,0,1,0,0|1,0,0]=3 372 B9R1.13 C1CNC[C@@H]1CC(=O)O PB34430 [0,1,0,1,0,0|1,0,0]=3 373 B9R1.13 C1CNC[C@H]1CC(=O)O PB22689 [0,1,0,1,0,0|1,0,0]=3 374 B9R1.13 C1COCC1CC(=O)O CB10890 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.13 C1C[C@@H](NC1)CC(=O)O PB32966 [0,1,0,1,0,0|1,0,0]=3 376 B9R1.13 C1C[C@H](NC1)CC(=O)O PB32289 [0,1,0,1,0,0|1,0,0]=3 377 B9R1.13 CC(=O)N[C@@H]1CCNC1 PB10078 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.13 CC(C)C[C@@H]1CCNC1 AB66512 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.13 CC(C)C[C@H]1CCNC1 AB66515 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.24 C[C@@]1(CCC[C@H]1CO)N AB42780 [0,1,0,1,0,0|0,0,2]=4 381 B9R1.24 C[C@@]1(CCC[C@H]1CO)N AB49850 [0,1,0,1,0,0|0,0,2]=4 382 B9R1.40 C1CNCC(C1=O)(F)F PB31926 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.40 CC1(C(=O)NCCN1)C AB09796 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.40 CC1(C(=O)NCCO1)C AB71828 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.40 CC1(CNCCC1=O)C PB31517 [0,1,0,1,0,0|1,0,0]=3 386 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O PB33863 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O AB03887 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O MB07569 [0,1,0,1,0,0|1,0,0]=3 389 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O AB22519 [0,1,0,1,0,0|1,0,0]=3 390 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [0,1,0,1,0,0|1,0,0]=3 391 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [0,1,0,1,0,0|1,0,0]=3 392 B9R2.68 C1C[C@@H]2CC[C@H](C1)N2 PB15162 [0,0,0,2,0,0|1,0,1]=4 393 B9R2.19 C1C2CNC(=O)C1N2 PB31914 [0,0,0,2,0,0|2,0,0]=4 394 B9R2.3 C1CC2CCNC2C1 MB13581 [0,0,0,2,0,0|1,0,1]=4 395 B9R2.3 C1CC2CNCC2C1 AB06909 [0,0,0,2,0,0|1,0,1]=4 396 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 PB16219 [0,0,0,2,0,0|1,0,1]=4 397 B9R2.173 C1CC2(C1)CCCN2 PB13614 [0,0,0,2,0,0|1,0,1]=4 398 B9R2.173 C1CC2(C1)CCNC2 PB38158 [0,0,0,2,0,0|2,0,0]=4 399 B9R2.173 C1CCC2(C1)CCN2 PB12596 [0,0,0,2,0,0|1,0,1]=4 400 B9R2.173 C1CCC2(C1)CNC2 PB23618 [0,0,0,2,0,0|2,0,0]=4