0 B6R0.1 CC[C@H](N)CC#N Y13628 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 N#CC[C@H](N)CO Y14487 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C=CC[C@H](C)N D84793 [1,0,0,0,0,0|1,0,2]=4 3 B5R0.1 C[C@H](N)CC#N 83614 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.2 CSCCCCl Y14621 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.3 C=C[C@@H](N)CC 68012 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.3 NC(CF)CF 83730 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.3 CNC(=O)CCCO F10217 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.5 CC(C)[C@@H](N)CC#N Y14204 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.7 CCC[C@H](N)CC#N Y14537 [0,1,0,0,0,0|1,0,1]=3 10 B7R0.11 CCC(C)(C)CC=O Y14611 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.11 CCC[C@](C)(N)CO D75112 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.11 C[C@@](O)(CO)CCO A11223 [0,1,0,0,0,0|2,0,0]=3 13 B7R1.1 C#C[C@@H]1CCCN1 86321 [0,0,0,1,0,0|1,0,2]=4 14 B7R1.1 C#C[C@@H]1CCCN1 C90741 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.1 CC[C@H]1CCCN1 Y11636 [0,0,0,1,0,0|1,0,0]=2 16 B7R1.1 CC[C@H]1CCNC1 P14868 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.1 FC[C@H]1CCNC1 P18732 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.1 OC[C@@H]1C=CCC1 74782 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.2 C[C@@H]1COC(=O)C1 64712 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.2 C[C@@H]1COC(=O)C1 69011 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,0,0,1,0,0|1,0,0]=2 22 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.2 N[C@@H]1CC[C@H](F)C1 73246 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.2 N[C@H]1CC[C@@H](N)C1 C75982 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.2 N[C@H]1CC[C@@H](N)C1 D78669 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.2 N[C@H]1CC[C@H](N)C1 D96861 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,0,0,1,0,0|1,0,0]=2 32 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,0,0,1,0,0|1,0,0]=2 33 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,0,0,1,0,0|1,0,0]=2 34 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [0,0,0,1,0,0|1,0,0]=2 35 B7R1.4 BrC1CCCC1Br D96921 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,0,0,1,0,0|1,0,0]=2 37 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.4 C[C@H]1CCNC1=O D72754 [0,0,0,1,0,0|1,0,2]=4 39 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,0,0,1,0,0|1,0,0]=2 40 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,0,0,1,0,0|1,0,0]=2 41 B7R1.4 F[C@H]1CNC[C@@H]1F 57973 [0,0,0,1,0,0|3,0,0]=4 42 B7R1.4 F[C@H]1CNC[C@@H]1F 72989 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.4 F[C@H]1CNC[C@@H]1F P19008 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.4 N[C@@H]1COC[C@@H]1N 27748 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.4 O[C@@H]1CNC[C@@H]1F P15723 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.6 BrCC[C@H]1CCO1 D79156 [0,0,0,1,0,0|1,0,0]=2 49 B7R1.6 ICC[C@H]1CCO1 D79155 [0,0,0,1,0,0|1,0,0]=2 50 B7R1.6 NCC[C@H]1CCO1 D79157 [0,0,0,1,0,0|1,0,0]=2 51 B7R1.6 NCC[C@H]1CCO1 P17247 [0,0,0,1,0,0|1,0,0]=2 52 B7R1.6 OCC[C@H]1CCO1 D84844 [0,0,0,1,0,0|1,0,0]=2 53 B7R1.6 OCC[C@H]1CCO1 P19429 [0,0,0,1,0,0|1,0,0]=2 54 B7R1.8 CN1CC[C@@H]1CN P13166 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.8 CO[C@H]1CC[C@@H]1N P20347 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.8 NCC1CCC1F P18462 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.8 OCC1CCC1F P19725 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.8 OCC1CCC1O P20965 [0,0,0,1,0,0|1,0,0]=2 59 B7R1.9 NC[C@H]1C[C@H]1CN D79390 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.10 CCN1CC(N)C1 P12468 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.10 CO[C@H]1C[C@@H](O)C1 W15861 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.10 CO[C@H]1C[C@H](O)C1 C77446 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.10 NC[C@H]1C[C@@H](F)C1 P13361 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.21 N#CCC1(N)CC1 E70249 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.21 NC1(CCO)CC1 50078 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.22 NC[C@H](N)C1CC1 Y14018 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.22 N[C@@H](CO)C1CC1 Y13952 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.25 C#CC1(N)CCC1 AC1326 [0,0,0,1,0,0|1,0,2]=4 69 B7R1.25 C#CC1(O)CCC1 D96869 [0,0,0,1,0,0|0,0,2]=3 70 B7R1.25 C[C@]1(CO)CCO1 CS1015 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.25 FC1(CI)COC1 32852 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.25 FCC1(F)CNC1 86890 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.25 NCC1(N)CCC1 D96796 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.25 NCC1(N)COC1 39059 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.25 OCC1(O)CNC1 P14885 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.25 OCC1(O)COC1 P16013 [0,0,0,1,0,0|2,0,0]=3 77 B4R0.1 C[C@H](N)CF AC1331 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.2 CNCCF AC6046 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.2 C[C@H](O)CN(C)C AT22519 [1,1,0,0,0,0|1,0,0]=3 80 B6R0.3 CC(C)[C@@H](N)CO Y13602 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.4 C[C@H](Cl)CCCO AC5969 [1,1,0,0,0,0|1,0,0]=3 82 B6R0.5 CSCC(C)(C)N D76732 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [0,2,0,0,0,0|1,0,1]=4 84 B8R0.19 CC[C@H](N)CC(=O)OC Y11154 [0,2,0,0,0,0|1,0,1]=4 85 B8R0.1 C=CCC[C@@H](O)CCC D93149 [0,2,0,0,0,0|0,0,0]=2 86 B8R0.25 CCC#C[C@@](C)(O)CC 78823 [0,2,0,0,0,0|0,0,1]=3 87 B8R0.12 C=CC[C@](C)(O)C(C)C 78825 [0,2,0,0,0,0|0,0,2]=4 88 B8R0.22 CCCC(CBr)CCC 78361 [0,2,0,0,0,0|1,0,0]=3 89 B6R1.2 Cl[C@H]1CCNC1 W15837 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.5 CC1CC(O)C1 P19103 [1,0,0,1,0,0|0,0,0]=2 91 B6R1.5 C[C@H]1C[C@H](C)N1 D79632 [1,0,0,1,0,0|1,0,0]=3 92 B6R1.5 C[C@H]1C[C@H](C)N1 D84904 [1,0,0,1,0,0|1,0,0]=3 93 B6R1.5 N[C@H]1C[C@H](F)C1 P16381 [1,0,0,1,0,0|2,0,0]=4 94 B6R1.5 N[C@H]1C[C@H](N)C1 38581 [1,0,0,1,0,0|2,0,0]=4 95 B6R1.5 O[C@H]1C[C@H](O)C1 P20297 [1,0,0,1,0,0|1,0,0]=3 96 B6R1.8 CO[C@H]1C[C@@H]1N P20153 [1,0,0,1,0,0|2,0,0]=4 97 B6R1.8 CO[C@H]1C[C@@H]1N P20155 [1,0,0,1,0,0|2,0,0]=4 98 B6R1.8 CO[C@H]1C[C@H]1N P20154 [1,0,0,1,0,0|2,0,0]=4 99 B6R1.8 CO[C@H]1C[C@H]1N P20156 [1,0,0,1,0,0|2,0,0]=4 100 B6R1.8 C[C@@H]1C[C@@H]1CO 55221 [1,0,0,1,0,0|2,0,0]=4 101 B6R1.9 CC1(C)C[C@@H]1Br P17575 [1,0,0,1,0,0|2,0,0]=4 102 B6R1.4 C[C@@H]1NC[C@@H]1F AT24721 [1,0,0,1,0,0|2,0,0]=4 103 B6R1.4 C[C@@H]1NC[C@@H]1O P18431 [1,0,0,1,0,0|2,0,0]=4 104 B6R1.4 C[C@@H]1NC[C@@H]1O P18432 [1,0,0,1,0,0|2,0,0]=4 105 B6R1.4 C[C@@H]1NC[C@@H]1O P18433 [1,0,0,1,0,0|2,0,0]=4 106 B6R1.4 N[C@H]1CC[C@@H]1O D72719 [1,0,0,1,0,0|2,0,0]=4 107 B6R1.4 N[C@H]1CC[C@@H]1O P20951 [1,0,0,1,0,0|2,0,0]=4 108 B6R1.4 N[C@H]1CC[C@@H]1O P20952 [1,0,0,1,0,0|2,0,0]=4 109 B6R1.4 O[C@H]1CC[C@H]1O AT10951 [1,0,0,1,0,0|2,0,0]=4 110 B6R1.6 C#CC1CCC1 P19139 [1,0,0,1,0,0|0,0,2]=4 111 B6R1.6 NCC1CSC1 39006 [1,0,0,1,0,0|2,0,0]=4 112 B6R1.6 NC[C@H]1CCO1 P21081 [1,0,0,1,0,0|2,0,0]=4 113 B6R1.7 C=CC1(O)CC1 F53569 [1,0,0,1,0,0|0,0,2]=4 114 B6R1.7 CC1(CBr)CC1 D96531 [1,0,0,1,0,0|2,0,0]=4 115 B6R1.7 NCC1(F)CC1 P18486 [1,0,0,1,0,0|2,0,0]=4 116 B6R1.7 OCC1(Cl)CC1 96433 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.1 CC1CC(CO)CN1 83595 [0,1,0,1,0,0|1,0,0]=3 118 B8R1.1 CC1CCC(CO)C1 72724 [0,1,0,1,0,0|0,0,0]=2 119 B8R1.1 C[C@H]1CN[C@@H](CO)C1 87742 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.1 FC[C@@H]1C[C@H](F)CN1 73101 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.1 OC[C@H]1C[C@H](F)CN1 73103 [0,1,0,1,0,0|2,0,0]=4 122 B8R1.1 OC[C@H]1C[C@H](F)CN1 D79543 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,1,0,1,0,0|0,0,2]=4 124 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,1,0,1,0,0|0,0,2]=4 125 B8R1.4 C[C@H]1CCC[C@H](C)N1 P19345 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.4 C[C@H]1CCC[C@H](C)N1 P20082 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.4 C[C@H]1COC[C@H](C)N1 F18925 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [0,1,0,1,0,0|0,0,0]=2 129 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [0,1,0,1,0,0|0,0,0]=2 130 B8R1.4 F[C@@H]1CNC[C@@H](F)C1 P21019 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.4 F[C@@H]1CNC[C@H](F)C1 P21018 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.4 NC1CCCC(F)C1 D96615 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.4 NN1CCC[C@H](O)C1 Y14768 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [0,1,0,1,0,0|0,0,0]=2 135 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [0,1,0,1,0,0|0,0,0]=2 136 B8R1.4 N[C@H]1CCC[C@H](N)C1 P15793 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [0,1,0,1,0,0|0,0,0]=2 138 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 P19870 [0,1,0,1,0,0|1,0,0]=3 139 B8R1.4 O[C@@H]1CNC[C@H](O)C1 C77406 [0,1,0,1,0,0|1,0,0]=3 140 B8R1.18 CN1C[C@H](O)[C@@H](F)C1 97557 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.18 CN1C[C@H](O)[C@H](N)C1 P17126 [0,1,0,1,0,0|1,0,0]=3 142 B8R1.31 CC(C)C1OCC1N P18436 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.34 O=C(O)C[C@H]1CCO1 P19430 [0,1,0,1,0,0|1,0,1]=4 144 B8R1.40 N[C@H](CO)CC1CC1 Y14036 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.51 CC1(C)C[C@H](O)CN1 P16596 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.51 N[C@H]1CCC(F)(F)C1 38897 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.51 N[C@H]1CCC(F)(F)C1 P13556 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.51 O[C@H]1CCC(F)(F)C1 P13046 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.51 O[C@H]1CCC(F)(F)C1 P20322 [0,1,0,1,0,0|1,0,0]=3 150 B8R1.51 O[C@H]1CCC(F)(F)C1 P20323 [0,1,0,1,0,0|1,0,0]=3 151 B8R1.53 CC1(C)C[C@H](CN)O1 CS2412 [0,1,0,1,0,0|1,0,0]=3 152 B8R1.53 CC1(O)CC(CN)C1 P18525 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 P13515 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.53 C[C@]1(O)C[C@H](CN)C1 P18526 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.62 C[C@]1(CO)C[C@@H](N)C1 D97130 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.2 BrCC1CCSCC1 D84726 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.2 C#CC1CCSCC1 P13801 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.2 C#C[C@H]1CCCOC1 P12240 [0,1,0,1,0,0|0,0,2]=4 159 B8R1.2 CC[C@H]1CCCCN1 Y10393 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.2 CC[C@H]1CNCCN1 C12792 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.2 CN[C@H]1CCCOC1 D96690 [0,1,0,1,0,0|1,0,0]=3 162 B8R1.2 CON1CCNCC1 AT26084 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.2 FC[C@H]1CCCCN1 P12638 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.2 FC[C@H]1CCCCN1 P14249 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.2 FC[C@H]1CNCCN1 AT11399 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.2 NC[C@H]1CCCOC1 P15860 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.2 NC[C@H]1CCCOC1 P15862 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.2 NNC1CCNCC1 D79876 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.2 NN[C@H]1CCCNC1 D79855 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.2 NN[C@H]1CCCNC1 D79875 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.2 OC[C@H]1CCCCO1 92919 [0,1,0,1,0,0|1,0,0]=3 172 B8R1.2 OC[C@H]1CCCCO1 P13405 [0,1,0,1,0,0|1,0,0]=3 173 B8R1.2 OC[C@H]1CCCOC1 P13406 [0,1,0,1,0,0|1,0,0]=3 174 B8R1.2 OC[C@H]1CCCOC1 P13407 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.3 C[C@@H]1CC[C@H](O)CN1 73248 [0,1,0,1,0,0|0,0,0]=2 176 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,1,0,1,0,0|0,0,2]=4 177 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,1,0,1,0,0|0,0,2]=4 178 B8R1.3 C[C@H]1CN[C@@H](C)CN1 AT16264 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C73501 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.3 NC1CCC(F)CC1 AT11407 [0,1,0,1,0,0|1,0,0]=3 181 B8R1.3 N[C@H]1CC[C@H](F)CC1 P19513 [0,1,0,1,0,0|1,0,0]=3 182 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [0,1,0,1,0,0|0,0,0]=2 183 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [0,1,0,1,0,0|1,0,0]=3 184 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.5 C[C@H]1CCNC[C@@H]1F 73144 [0,1,0,1,0,0|1,0,0]=3 186 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,1,0,1,0,0|0,0,0]=2 187 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,1,0,1,0,0|0,0,0]=2 190 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,1,0,1,0,0|0,0,0]=2 191 B8R1.5 F[C@H]1CCNC[C@@H]1F P13600 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.5 F[C@H]1CNCC[C@H]1F P13601 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20115 [0,1,0,1,0,0|1,0,0]=3 194 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20239 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17093 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17094 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.5 N[C@@H]1CCOC[C@@H]1O 38663 [0,1,0,1,0,0|1,0,0]=3 198 B8R1.5 N[C@@H]1CCOC[C@@H]1O P15155 [0,1,0,1,0,0|1,0,0]=3 199 B8R1.5 N[C@@H]1COCC[C@@H]1O P16446 [0,1,0,1,0,0|1,0,0]=3 200 B8R1.5 N[C@@H]1COCC[C@@H]1O P21118 [0,1,0,1,0,0|1,0,0]=3 201 B8R1.5 N[C@@H]1COCC[C@@H]1O P21119 [0,1,0,1,0,0|1,0,0]=3 202 B8R1.5 N[C@H]1CCOC[C@@H]1F P14626 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.5 O[C@@H]1CCNC[C@@H]1F 73030 [0,1,0,1,0,0|1,0,0]=3 204 B8R1.5 O[C@@H]1CCOC[C@@H]1F P16658 [0,1,0,1,0,0|1,0,0]=3 205 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15157 [0,1,0,1,0,0|1,0,0]=3 206 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15750 [0,1,0,1,0,0|1,0,0]=3 207 B8R1.5 O[C@H]1CCNC[C@@H]1F 73096 [0,1,0,1,0,0|1,0,0]=3 208 B8R1.5 O[C@H]1CCOC[C@@H]1F P17909 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,1,0,1,0,0|1,0,1]=4 210 B8R1.10 OCCCC1CNC1 D96736 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.13 COC[C@@H]1CC[C@@H]1N P20527 [0,1,0,1,0,0|1,0,0]=3 212 B8R1.13 COC[C@@H]1CC[C@@H]1N P20692 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.13 COC[C@H]1CC[C@@H]1N P19812 [0,1,0,1,0,0|1,0,0]=3 214 B8R1.13 COC[C@H]1CC[C@@H]1N P20526 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.22 C[C@H]1CCOCCN1 C90344 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.22 F[C@H]1CCCCNC1 72929 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.22 F[C@H]1CCCNCC1 72243 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.22 N[C@H]1CCCCNC1 32198 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.22 N[C@H]1CCCOCC1 33401 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.38 CC(CO)C1CCO1 P17526 [0,1,0,1,0,0|1,0,0]=3 221 B8R1.38 COC(=O)[C@@H]1CCO1 D96911 [0,1,0,1,0,0|1,0,1]=4 222 B8R1.38 C[C@@H](CO)N1CCC1 P19737 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.38 N[C@@H](CO)C1CCC1 D85247 [0,1,0,1,0,0|2,0,0]=4 224 B8R1.38 N[C@@H](CO)C1CCC1 N11336 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.38 N[C@@H](CO)C1CCC1 Y14566 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.47 NC[C@H]1C[C@H](CO)C1 P14793 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.50 CC1CCC(C)C1N F12413 [0,1,0,1,0,0|1,0,0]=3 228 B8R1.52 CO[C@@]1(C)CCNC1 C77432 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.52 C[C@]1(CF)CCNC1 73105 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.52 NCC1(F)CCCC1 P17736 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.7 CC(C)[C@H]1CCNC1 P17773 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.7 FC(F)[C@@H]1CCCN1 P13393 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.7 FC(F)[C@@H]1CCCN1 P14708 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.19 CC1(C)CNC[C@@H]1O W16893 [0,1,0,1,0,0|1,0,0]=3 235 B8R1.19 C[C@H]1CNCC1(F)F P14084 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.19 C[C@]1(O)CCC[C@@H]1N D84856 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.19 O[C@H]1CCCC1(F)F D97023 [0,1,0,1,0,0|1,0,0]=3 238 B8R1.19 O[C@H]1CNCC1(F)F D96959 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.19 O[C@H]1CNCC1(F)F P20009 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.24 CC1(C)[C@@H](N)C[C@@H]1O P14216 [0,1,0,1,0,0|1,0,0]=3 241 B8R1.24 CC1(C)[C@@H](O)C[C@H]1N P14215 [0,1,0,1,0,0|1,0,0]=3 242 B8R1.37 N#CC[C@H](N)C1CC1 Y14203 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.8 C=CC[C@H]1CCCN1 Y11188 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.8 CCC[C@H]1CCCN1 D85246 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.8 NCC[C@H]1CCOC1 D96809 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.11 CC1CCCC1CO 72730 [0,1,0,1,0,0|0,0,0]=2 247 B8R1.11 CO[C@@H]1CNC[C@@H]1F 72975 [0,1,0,1,0,0|2,0,0]=4 248 B8R1.11 CO[C@@H]1CNC[C@@H]1F P15714 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [0,1,0,1,0,0|1,0,0]=3 250 B8R1.11 CO[C@H]1CNC[C@@H]1O P19984 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.11 CO[C@H]1CNC[C@H]1O P19606 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [0,1,0,1,0,0|1,0,0]=3 253 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.11 C[C@H]1CNC[C@@H]1CO P18720 [0,1,0,1,0,0|1,0,0]=3 255 B8R1.11 N#C[C@@H]1CCC[C@@H]1N 38298 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.11 OC[C@H]1NCC[C@@H]1O 95527 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.66 OCCC1(F)COC1 P12174 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.12 OC[C@H]1CC[C@@H]1CO AT20082 [0,1,0,1,0,0|1,0,0]=3 260 B8R1.48 OC[C@H]1CCC1(F)F P13854 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.72 C[C@]1(O)CCCNC1 AT10307 [0,1,0,1,0,0|1,0,0]=3 262 B8R1.72 C[C@]1(O)CCCNC1 D97149 [0,1,0,1,0,0|1,0,0]=3 263 B8R1.60 CCC1(C#N)COC1 39058 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.60 CNC1(CO)COC1 37987 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.60 COC1(CBr)COC1 D96716 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.60 N#CC1(CN)CCC1 72978 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.60 OCC1(CF)COC1 P19586 [0,1,0,1,0,0|2,0,0]=4 268 B8R2.11 NC1C2CCCC12 P20766 [0,0,0,2,0,0|1,0,0]=3 269 B8R2.11 NC1C2COCC12 C76192 [0,0,0,2,0,0|2,0,0]=4 270 B8R2.11 N[C@H]1[C@H]2COC[C@@H]12 W12777 [0,0,0,2,0,0|2,0,0]=4 271 B8R2.11 OC1C2CNCC12 AT19819 [0,0,0,2,0,0|1,0,0]=3 272 B8R2.22 C1CC2CNCC12 59759 [0,0,0,2,0,0|2,0,0]=4 273 B8R2.34 C1C[C@H]2CN[C@@H]1C2 D73534 [0,0,0,2,0,0|1,0,0]=3 274 B8R2.55 C1CNC2(C1)CC2 38518 [0,0,0,2,0,0|1,0,0]=3 275 B8R2.4 O=C1CC2CC1C2 P20286 [0,0,0,2,0,0|0,0,2]=4 276 B8R2.7 NC12CCC(C1)C2 P20285 [0,0,0,2,0,0|1,0,0]=3 277 B8R2.38 NC1CCC2CC12 F30521 [0,0,0,2,0,0|1,0,0]=3 278 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,2,0,0|0,0,2]=4 279 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D96571 [0,0,0,2,0,0|0,0,0]=2 280 B8R2.23 C1NCC2CC1C2 80451 [0,0,0,2,0,0|2,0,0]=4 281 B8R2.23 C1NCC2CC1O2 W19453 [0,0,0,2,0,0|1,0,0]=3 282 B8R2.23 C1OCC2CC1N2 P16049 [0,0,0,2,0,0|2,0,0]=4 283 B8R2.42 C1CC2(CNC2)S1 P18246 [0,0,0,2,0,0|1,1,0]=4 284 B8R2.19 N[C@H]1CCC12CC2 D76859 [0,0,0,2,0,0|1,0,0]=3 285 B8R2.31 NCC12CC(C1)C2 AT20358 [0,0,0,2,0,0|2,0,0]=4 286 B8R2.31 OCC12CC(C1)C2 P14527 [0,0,0,2,0,0|2,0,0]=4 287 B8R2.53 NC1CC2(CC2)C1 D73463 [0,0,0,2,0,0|2,0,0]=4 288 B8R2.53 OC1CC2(CC2)C1 D95196 [0,0,0,2,0,0|2,0,0]=4 289 B8R2.41 BrC1(C2CC2)CC1 86481 [0,0,0,2,0,0|1,0,0]=3