0 B8R1.2 BrCC1CCSCC1 D84726 [0,1,0,0,0,0|2,0,0]=3 1 B8R1.2 C#CC1CCSCC1 P13801 [0,1,0,0,0,0|2,0,0]=3 2 B8R1.2 C#C[C@H]1CCCOC1 P12240 [0,1,0,0,0,0|2,0,0]=3 3 B8R1.2 CC[C@H]1CCCCN1 Y10393 [0,1,0,0,0,0|2,0,0]=3 4 B8R1.2 CC[C@H]1CNCCN1 C12792 [0,1,0,0,0,0|3,0,0]=4 5 B8R1.2 CN[C@H]1CCCOC1 D96690 [0,1,0,0,0,0|1,0,0]=2 6 B8R1.2 CON1CCNCC1 AT26084 [0,1,0,0,0,0|3,0,0]=4 7 B8R1.2 FC[C@H]1CCCCN1 P12638 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.2 FC[C@H]1CCCCN1 P14249 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.2 FC[C@H]1CNCCN1 AT11399 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.2 N#C[C@@H]1CNCCN1 C10786 [0,1,0,0,0,0|2,0,1]=4 11 B8R1.2 NC[C@H]1CCCOC1 P15860 [0,1,0,0,0,0|1,0,0]=2 12 B8R1.2 NC[C@H]1CCCOC1 P15862 [0,1,0,0,0,0|1,0,0]=2 13 B8R1.2 NNC1CCNCC1 D79876 [0,1,0,0,0,0|1,0,0]=2 14 B8R1.2 NN[C@H]1CCCNC1 D79855 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.2 NN[C@H]1CCCNC1 D79875 [0,1,0,0,0,0|1,0,0]=2 16 B8R1.2 OC[C@H]1CCCCO1 92919 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.2 OC[C@H]1CCCCO1 P13405 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.2 OC[C@H]1CCCOC1 P13406 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.2 OC[C@H]1CCCOC1 P13407 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.3 C[C@@H]1CC[C@H](O)CN1 73248 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [0,1,0,0,0,0|2,0,1]=4 22 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.3 C[C@H]1CN[C@@H](C)CN1 AT16264 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C73501 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.3 NC1CCC(F)CC1 AT11407 [0,1,0,0,0,0|0,0,0]=1 26 B8R1.3 N[C@H]1CC[C@H](F)CC1 P19513 [0,1,0,0,0,0|0,0,0]=1 27 B8R1.3 O=C1CCS(=O)CC1 D86028 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.4 C[C@H]1CCC[C@H](C)N1 P19345 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.4 C[C@H]1CCC[C@H](C)N1 P20082 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.4 C[C@H]1COC[C@H](C)N1 F18925 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.4 F[C@@H]1CNC[C@@H](F)C1 P21019 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.4 F[C@@H]1CNC[C@H](F)C1 P21018 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.4 NC1CCCC(F)C1 D96615 [0,1,0,0,0,0|0,0,0]=1 38 B8R1.4 NN1CCC[C@H](O)C1 Y14768 [0,1,0,0,0,0|1,0,0]=2 39 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [0,1,0,0,0,0|0,0,0]=1 40 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [0,1,0,0,0,0|0,0,0]=1 41 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,1,0,0,0,0|1,0,1]=3 42 B8R1.4 N[C@H]1CCC[C@H](N)C1 P15793 [0,1,0,0,0,0|0,0,0]=1 43 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [0,1,0,0,0,0|0,0,0]=1 44 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 P19870 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.4 O[C@@H]1CNC[C@H](O)C1 C77406 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [0,1,0,0,0,0|0,0,0]=1 48 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [0,1,0,0,0,0|0,0,0]=1 49 B8R1.5 C[C@H]1CCNC[C@@H]1F 73144 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [0,1,0,0,0,0|1,0,0]=2 52 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [0,1,0,0,0,0|1,0,0]=2 53 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.5 F[C@H]1CCNC[C@@H]1F P13600 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.5 F[C@H]1CNCC[C@H]1F P13601 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20115 [0,1,0,0,0,0|0,0,0]=1 58 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20239 [0,1,0,0,0,0|0,0,0]=1 59 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17093 [0,1,0,0,0,0|1,0,0]=2 60 B8R1.5 N[C@@H]1CCOC[C@@H]1F P17094 [0,1,0,0,0,0|1,0,0]=2 61 B8R1.5 N[C@@H]1CCOC[C@@H]1O 38663 [0,1,0,0,0,0|1,0,0]=2 62 B8R1.5 N[C@@H]1CCOC[C@@H]1O P15155 [0,1,0,0,0,0|1,0,0]=2 63 B8R1.5 N[C@@H]1COCC[C@@H]1O P16446 [0,1,0,0,0,0|1,0,0]=2 64 B8R1.5 N[C@@H]1COCC[C@@H]1O P21118 [0,1,0,0,0,0|1,0,0]=2 65 B8R1.5 N[C@@H]1COCC[C@@H]1O P21119 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.5 N[C@H]1CCOC[C@@H]1F P14626 [0,1,0,0,0,0|1,0,0]=2 67 B8R1.5 O[C@@H]1CCNC[C@@H]1F 73030 [0,1,0,0,0,0|2,0,0]=3 68 B8R1.5 O[C@@H]1CCOC[C@@H]1F P16658 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15157 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.5 O[C@@H]1CNCC[C@@H]1F P15750 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.5 O[C@H]1CCNC[C@@H]1F 73096 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.5 O[C@H]1CCOC[C@@H]1F P17909 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.5 [BH3-]C1=CCCC[C@@H]1C AC8574 [0,1,0,0,0,0|1,0,2]=4 74 B8R1.72 CP1(=O)CCNCC1 W19671 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.72 C[C@]1(O)CCCNC1 AT10307 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.72 C[C@]1(O)CCCNC1 D97149 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.1 CC[C@H](N)CC#N Y13628 [0,0,1,0,0,0|1,0,1]=3 78 B6R0.1 N#CC[C@H](N)CO Y14487 [0,0,1,0,0,0|2,0,1]=4 79 B6R0.4 C[C@H](Cl)CCCO AC5969 [0,0,1,0,0,0|2,0,0]=3 80 B8R2.11 NC1C2CCCC12 P20766 [0,0,0,1,0,0|0,0,0]=1 81 B8R2.11 NC1C2COCC12 C76192 [0,0,0,1,0,0|1,0,0]=2 82 B8R2.11 N[C@H]1[C@H]2COC[C@@H]12 W12777 [0,0,0,1,0,0|1,0,0]=2 83 B8R2.11 OC1C2CNCC12 AT19819 [0,0,0,1,0,0|2,0,0]=3 84 B8R2.18 O=C1CC2CC2N1 P20381 [0,0,0,1,0,0|2,0,1]=4 85 B8R2.23 C1NCC2CC1C2 80451 [0,0,0,1,0,0|2,0,0]=3 86 B8R2.23 C1NCC2CC1O2 W19453 [0,0,0,1,0,0|2,0,0]=3 87 B8R2.23 C1OCC2CC1N2 P16049 [0,0,0,1,0,0|1,0,0]=2 88 B8R2.25 C1COC2CC2N1 C72423 [0,0,0,1,0,0|3,0,0]=4 89 B8R2.34 C1C[C@H]2CN[C@@H]1C2 D73534 [0,0,0,1,0,0|2,0,0]=3 90 B8R2.38 NC1CCC2CC12 F30521 [0,0,0,1,0,0|0,0,0]=1 91 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97892 [0,0,0,1,0,0|1,0,1]=3 92 B8R2.38 O=C1NCC2CC12 AT10538 [0,0,0,1,0,0|2,0,1]=4 93 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D96571 [0,0,0,1,0,0|1,0,0]=2 94 B6R1.2 CN1CCNC1 AC8535 [0,0,0,0,1,0|3,0,0]=4 95 B6R1.2 Cl[C@H]1CCNC1 W15837 [0,0,0,0,1,0|2,0,0]=3 96 B8R1.22 C[C@H]1CCOCCN1 C90344 [0,0,0,0,0,1|2,0,0]=3 97 B8R1.22 F[C@H]1CCCCNC1 72929 [0,0,0,0,0,1|1,0,0]=2 98 B8R1.22 F[C@H]1CCCNCC1 72243 [0,0,0,0,0,1|1,0,0]=2 99 B8R1.22 N[C@H]1CCCCNC1 32198 [0,0,0,0,0,1|0,0,0]=1 100 B8R1.22 N[C@H]1CCCOCC1 33401 [0,0,0,0,0,1|0,0,0]=1 101 B5R0.1 C=CC[C@H](C)N D84793 [1,0,1,0,0,0|0,0,2]=4 102 B5R0.1 C[C@H](N)CC#N 83614 [1,0,1,0,0,0|1,0,1]=4 103 B5R0.2 CSCCCCl Y14621 [1,0,1,0,0,0|2,0,0]=4 104 B5R0.3 C=C[C@@H](N)CC 68012 [1,0,1,0,0,0|0,0,2]=4 105 B5R0.3 NC(CF)CF 83730 [1,0,1,0,0,0|2,0,0]=4 106 B7R0.5 CC(C)[C@@H](N)CC#N Y14204 [0,1,1,0,0,0|1,0,1]=4 107 B7R0.7 CCC[C@H](N)CC#N Y14537 [0,1,1,0,0,0|0,0,1]=3 108 B7R0.11 CCC[C@](C)(N)CO D75112 [0,1,1,0,0,0|1,0,0]=3 109 B7R0.8 CC(C)(N)CCC#N 79588 [0,1,1,0,0,0|1,0,1]=4 110 B7R1.1 C#C[C@@H]1CCCN1 86321 [0,1,0,0,1,0|2,0,0]=4 111 B7R1.1 C#C[C@@H]1CCCN1 C90741 [0,1,0,0,1,0|2,0,0]=4 112 B7R1.1 C#C[C@H]1CCNC1 P12667 [0,1,0,0,1,0|2,0,0]=4 113 B7R1.1 C#C[C@H]1CCOC1 38451 [0,1,0,0,1,0|2,0,0]=4 114 B7R1.1 CC[C@H]1CCCN1 Y11636 [0,1,0,0,1,0|2,0,0]=4 115 B7R1.1 CC[C@H]1CCNC1 P14868 [0,1,0,0,1,0|2,0,0]=4 116 B7R1.1 FC[C@H]1CCNC1 P18732 [0,1,0,0,1,0|2,0,0]=4 117 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [0,1,0,0,1,0|2,0,0]=4 118 B7R1.2 C[C@H]1CC[C@H](C)N1 D85954 [0,1,0,0,1,0|2,0,0]=4 119 B7R1.2 C[C@H]1CC[C@H](C)N1 P17787 [0,1,0,0,1,0|2,0,0]=4 120 B7R1.2 C[C@H]1C[C@H](F)CN1 W10043 [0,1,0,0,1,0|2,0,0]=4 121 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [0,1,0,0,1,0|2,0,0]=4 122 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [0,1,0,0,1,0|2,0,0]=4 123 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [0,1,0,0,1,0|1,0,1]=4 124 B7R1.2 N[C@@H]1CC[C@H](F)C1 73246 [0,1,0,0,1,0|0,0,0]=2 125 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [0,1,0,0,1,0|1,0,1]=4 126 B7R1.2 N[C@H]1CC[C@@H](N)C1 C75982 [0,1,0,0,1,0|0,0,0]=2 127 B7R1.2 N[C@H]1CC[C@@H](N)C1 D78669 [0,1,0,0,1,0|0,0,0]=2 128 B7R1.2 N[C@H]1CC[C@H](N)C1 D96861 [0,1,0,0,1,0|0,0,0]=2 129 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [0,1,0,0,1,0|0,0,0]=2 130 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [0,1,0,0,1,0|0,0,0]=2 131 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [0,1,0,0,1,0|0,0,0]=2 132 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [0,1,0,0,1,0|1,0,0]=3 133 B7R1.4 BrC1CCCC1Br D96921 [0,1,0,0,1,0|1,0,0]=3 134 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [0,1,0,0,1,0|2,0,0]=4 135 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [0,1,0,0,1,0|1,0,0]=3 136 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [0,1,0,0,1,0|2,0,0]=4 137 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [0,1,0,0,1,0|2,0,0]=4 138 B7R1.4 F[C@H]1CNC[C@@H]1F 57973 [0,1,0,0,1,0|2,0,0]=4 139 B7R1.4 F[C@H]1CNC[C@@H]1F 72989 [0,1,0,0,1,0|2,0,0]=4 140 B7R1.4 F[C@H]1CNC[C@@H]1F P19008 [0,1,0,0,1,0|2,0,0]=4 141 B7R1.4 N[C@@H]1COC[C@@H]1N 27748 [0,1,0,0,1,0|1,0,0]=3 142 B7R1.4 N[C@@H]1COC[C@@H]1O P16454 [0,1,0,0,1,0|1,0,0]=3 143 B7R1.4 N[C@H]1CCC[C@@H]1F P18723 [0,1,0,0,1,0|0,0,0]=2 144 B7R1.4 O[C@@H]1CNC[C@@H]1F P15723 [0,1,0,0,1,0|2,0,0]=4 145 B7R1.14 C[C@]1(F)CCNC1 P19721 [0,1,0,0,1,0|2,0,0]=4 146 B7R1.14 C[C@]1(F)CCNC1 P19900 [0,1,0,0,1,0|2,0,0]=4 147 B7R1.14 C[C@]1(O)CCNC1 95716 [0,1,0,0,1,0|2,0,0]=4 148 B7R1.14 C[C@]1(O)CCNC1 P15825 [0,1,0,0,1,0|2,0,0]=4 149 B7R1.14 C[C@]1(O)CCNC1 P15831 [0,1,0,0,1,0|2,0,0]=4 150 B9R1.5 CC1CNCCCC1O 73109 [0,1,0,0,0,1|1,0,0]=3 151 B9R1.5 C[C@H]1CNCCCC1=O 73108 [0,1,0,0,0,1|1,0,1]=4 152 B9R1.5 N[C@H]1COCCNC1=O 58513 [0,1,0,0,0,1|1,0,1]=4 153 B9R1.5 O=C1CCCNC[C@@H]1F 72716 [0,1,0,0,0,1|1,0,1]=4 154 B9R1.5 O=C1CCNCC[C@@H]1F 73001 [0,1,0,0,0,1|1,0,1]=4 155 B9R1.49 N[C@H]1CCCC(=O)NC1 F19780 [0,1,0,0,0,1|0,0,1]=3 156 B9R1.89 OC[C@H]1CNCCCO1 32455 [0,1,0,0,0,1|2,0,0]=4 157 B9R1.89 OC[C@H]1CNCCCO1 53531 [0,1,0,0,0,1|2,0,0]=4 158 B9R1.148 C[C@]1(F)CCCNCC1 73027 [0,1,0,0,0,1|1,0,0]=3 159 B9R1.148 C[C@]1(O)CCCCNC1 73110 [0,1,0,0,0,1|1,0,0]=3 160 B9R1.148 C[C@]1(O)CCCCNC1 D95213 [0,1,0,0,0,1|1,0,0]=3 161 B9R1.148 C[C@]1(O)CNCCOC1 73163 [0,1,0,0,0,1|2,0,0]=4 162 B9R1.1 C#C[C@H]1CC[C@H](N)CC1 P19105 [0,2,0,0,0,0|0,0,0]=2 163 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 P18956 [0,2,0,0,0,0|1,0,0]=3 164 B9R1.1 CN1CCC(C=O)CC1 23787 [0,2,0,0,0,0|2,0,0]=4 165 B9R1.1 CN[C@H]1CC[C@@H](N)CC1 AT25392 [0,2,0,0,0,0|0,0,0]=2 166 B9R1.1 C[C@H]1CC[C@@H](CO)CC1 P18076 [0,2,0,0,0,0|1,0,0]=3 167 B9R1.1 C[C@H]1CC[C@H](CO)CN1 W19702 [0,2,0,0,0,0|2,0,0]=4 168 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 AC7043 [0,2,0,0,0,0|0,0,0]=2 169 B9R1.1 NCC1CCC(O)CC1 32841 [0,2,0,0,0,0|0,0,0]=2 170 B9R1.1 N[C@H]1CC[C@H](CO)OC1 P20704 [0,2,0,0,0,0|1,0,0]=3 171 B9R1.2 CN1CCO[C@@H](CN)C1 77630 [0,2,0,0,0,0|2,0,0]=4 172 B9R1.2 CN1CCO[C@@H](CN)C1 77631 [0,2,0,0,0,0|2,0,0]=4 173 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P18693 [0,2,0,0,0,0|1,0,0]=3 174 B9R1.2 CO[C@H]1CCC[C@H](N)C1 D96542 [0,2,0,0,0,0|0,0,0]=2 175 B9R1.2 CO[C@H]1CCN[C@@H](C)C1 P18685 [0,2,0,0,0,0|2,0,0]=4 176 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [0,2,0,0,0,0|2,0,0]=4 177 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [0,2,0,0,0,0|2,0,0]=4 178 B9R1.8 C=CC[C@H]1CCCCN1 D81549 [0,2,0,0,0,0|2,0,0]=4 179 B9R1.8 C=CC[C@H]1CCCCN1 Y11433 [0,2,0,0,0,0|2,0,0]=4 180 B9R1.8 CCC[C@H]1CCCCN1 Y10909 [0,2,0,0,0,0|2,0,0]=4 181 B9R1.8 COC[C@H]1CCCCN1 C76178 [0,2,0,0,0,0|2,0,0]=4 182 B9R1.15 CN1CCOC[C@@H]1CN 77626 [0,2,0,0,0,0|2,0,0]=4 183 B9R1.15 CN[C@H]1CCCCC1=O 79572 [0,2,0,0,0,0|0,0,1]=3 184 B9R1.15 CO[C@@H]1CCNC[C@@H]1F D79663 [0,2,0,0,0,0|2,0,0]=4 185 B9R1.15 CO[C@H]1CCCC[C@H]1N P20242 [0,2,0,0,0,0|0,0,0]=2 186 B9R1.15 CO[C@H]1COCC[C@H]1N P15827 [0,2,0,0,0,0|1,0,0]=3 187 B9R1.15 N#CC1CCNCC1F P21139 [0,2,0,0,0,0|1,0,1]=4 188 B9R1.15 NC1CCOCC1CO P19367 [0,2,0,0,0,0|1,0,0]=3 189 B9R1.15 N[C@H]1CCCC[C@@H]1CO AC1009 [0,2,0,0,0,0|0,0,0]=2 190 B9R1.15 N[C@H]1CCCC[C@H]1CO F18294 [0,2,0,0,0,0|0,0,0]=2 191 B9R1.15 OC[C@@H]1CCNC[C@@H]1F 37990 [0,2,0,0,0,0|2,0,0]=4 192 B9R1.118 C#CC1(C)CCOCC1 P13214 [0,2,0,0,0,0|2,0,0]=4 193 B9R1.118 C#CC1(N)CCOCC1 AT26006 [0,2,0,0,0,0|1,0,0]=3 194 B9R1.118 OC[C@]1(F)CCCNC1 69591 [0,2,0,0,0,0|2,0,0]=4 195 B9R1.69 CN1CC[C@H](N)[C@@H](F)C1 D97090 [0,2,0,0,0,0|1,0,0]=3 196 B9R1.69 CN1C[C@@H](N)CCC1=O AT26867 [0,2,0,0,0,0|1,0,1]=4 197 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C P18870 [0,2,0,0,0,0|1,0,0]=3 198 B9R1.3 CN1CCC[C@H](N)C1=O Y10111 [0,2,0,0,0,0|1,0,1]=4 199 B9R1.66 CC1(C)CCC[C@H](N)C1 P19506 [0,2,0,0,0,0|0,0,0]=2 200 B9R1.66 CC1(C)CCC[C@H](N)C1 P19507 [0,2,0,0,0,0|0,0,0]=2 201 B9R1.66 CN1CCC[C@](C)(N)C1 P13064 [0,2,0,0,0,0|1,0,0]=3 202 B9R1.66 N[C@@H]1COCC(F)(F)C1 P16595 [0,2,0,0,0,0|1,0,0]=3 203 B9R1.66 N[C@@H]1COCC(F)(F)C1 P20313 [0,2,0,0,0,0|1,0,0]=3 204 B9R1.40 CC1(C)COCC[C@@H]1O Y13542 [0,2,0,0,0,0|2,0,0]=4 205 B9R1.40 CC1CNCCC1(C)O 73158 [0,2,0,0,0,0|2,0,0]=4 206 B9R1.40 C[C@H]1CCNCC1(F)F 72715 [0,2,0,0,0,0|2,0,0]=4 207 B9R1.40 C[C@]1(O)CCNC[C@H]1F 73153 [0,2,0,0,0,0|2,0,0]=4 208 B9R1.40 F[C@H]1CNCCC1(F)F 73145 [0,2,0,0,0,0|2,0,0]=4 209 B9R1.40 N[C@H]1CCCCC1(F)F P15776 [0,2,0,0,0,0|0,0,0]=2 210 B9R1.40 N[C@H]1CCCCC1(F)F P15787 [0,2,0,0,0,0|0,0,0]=2 211 B9R1.40 O[C@H]1CCCCC1(F)F P20251 [0,2,0,0,0,0|1,0,0]=3 212 B9R1.40 O[C@H]1CNCCC1(F)F D77167 [0,2,0,0,0,0|2,0,0]=4 213 B9R1.40 O[C@H]1CNCCC1(F)F P12738 [0,2,0,0,0,0|2,0,0]=4 214 B7R1.6 BrCC[C@H]1CCO1 D79156 [0,0,1,1,0,0|2,0,0]=4 215 B7R1.6 ICC[C@H]1CCO1 D79155 [0,0,1,1,0,0|2,0,0]=4 216 B7R1.6 NCC[C@H]1CCO1 D79157 [0,0,1,1,0,0|2,0,0]=4 217 B7R1.6 NCC[C@H]1CCO1 P17247 [0,0,1,1,0,0|2,0,0]=4 218 B7R1.6 OCC[C@H]1CCO1 D84844 [0,0,1,1,0,0|2,0,0]=4 219 B7R1.6 OCC[C@H]1CCO1 P19429 [0,0,1,1,0,0|2,0,0]=4 220 B7R1.8 CO[C@H]1CC[C@@H]1N P20347 [0,0,1,1,0,0|1,0,0]=3 221 B7R1.8 NCC1CCC1F P18462 [0,0,1,1,0,0|2,0,0]=4 222 B7R1.8 OCC1CCC1F P19725 [0,0,1,1,0,0|2,0,0]=4 223 B7R1.8 OCC1CCC1O P20965 [0,0,1,1,0,0|2,0,0]=4 224 B7R1.21 N#CCC1(N)CC1 E70249 [0,0,1,1,0,0|1,0,1]=4 225 B7R1.21 NC1(CCO)CC1 50078 [0,0,1,1,0,0|1,0,0]=3 226 B7R1.22 NC[C@H](N)C1CC1 Y14018 [0,0,1,1,0,0|1,0,0]=3 227 B7R1.22 N[C@@H](CO)C1CC1 Y13952 [0,0,1,1,0,0|1,0,0]=3 228 B7R1.25 C#CC1(N)CCC1 AC1326 [0,0,1,1,0,0|0,0,2]=4 229 B7R1.25 NCC1(N)CCC1 D96796 [0,0,1,1,0,0|1,0,0]=3 230 B7R1.25 NCC1(N)COC1 39059 [0,0,1,1,0,0|2,0,0]=4 231 B7R1.17 CC1(C)CC[C@@H]1O P17222 [0,0,1,1,0,0|2,0,0]=4 232 B7R1.18 C[C@H](N)C1CCC1 P15298 [0,0,1,1,0,0|0,0,0]=2 233 B7R1.18 C[C@H](N)C1COC1 79835 [0,0,1,1,0,0|1,0,0]=3 234 B7R1.18 C[C@H](N)C1COC1 79836 [0,0,1,1,0,0|1,0,0]=3 235 B7R1.18 C[C@H](N)C1COC1 83718 [0,0,1,1,0,0|1,0,0]=3 236 B7R1.18 C[C@H](O)C1CNC1 P15030 [0,0,1,1,0,0|2,0,0]=4 237 B7R1.18 C[C@H](O)C1COC1 AT20599 [0,0,1,1,0,0|2,0,0]=4 238 B7R1.18 C[C@H](O)C1COC1 AT20601 [0,0,1,1,0,0|2,0,0]=4 239 B9R2.6 OC12CNCCC1C2 D96795 [0,0,0,1,0,1|1,0,0]=3 240 B9R2.7 O=C1NC2CCCC12 D70003 [0,0,0,1,0,1|1,0,1]=4 241 B9R2.14 FC12CCC1CNC2 P18031 [0,0,0,1,0,1|1,0,0]=3 242 B9R2.68 C1CC2CSCC1N2 P18566 [0,0,0,1,0,1|0,0,0]=2 243 B9R2.68 C1CN2CC[C@@H](C2)N1 P13919 [0,0,0,1,0,1|2,0,0]=4 244 B9R2.68 C1CN2CC[C@H](C2)N1 P20456 [0,0,0,1,0,1|2,0,0]=4 245 B9R2.68 C1NCC2CC1CO2 P19043 [0,0,0,1,0,1|2,0,0]=4 246 B9R2.109 F[C@H]1CNC[C@H]2C[C@H]21 W14421 [0,0,0,1,0,1|1,0,0]=3 247 B9R2.123 NC1C2CCCCC12 P18023 [0,0,0,1,0,1|0,0,0]=2 248 B9R2.49 C1CC2CNC1CO2 W10120 [0,1,0,1,0,0|1,0,0]=3 249 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 D96774 [0,1,0,1,0,0|1,0,0]=3 250 B9R2.49 C1C[C@H]2CN[C@@H]1CO2 D96775 [0,1,0,1,0,0|1,0,0]=3 251 B9R2.53 O=C1C2CNCC1C2 86846 [0,1,0,1,0,0|2,0,0]=4 252 B9R2.53 OC1C2CNCC1C2 38098 [0,1,0,1,0,0|2,0,0]=4 253 B9R2.65 FC[C@@H]1[C@H]2CNC[C@H]21 W14394 [0,1,0,1,0,0|2,0,0]=4 254 B9R2.65 NC[C@H]1[C@@H]2COC[C@H]12 P15724 [0,1,0,1,0,0|1,0,0]=3 255 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 P11773 [0,1,0,1,0,0|2,0,0]=4 256 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 P11774 [0,1,0,1,0,0|2,0,0]=4 257 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 P13087 [0,1,0,1,0,0|2,0,0]=4 258 B9R2.70 OC[C@@H]1NC[C@@H]2C[C@@H]21 P15747 [0,1,0,1,0,0|2,0,0]=4 259 B9R2.70 OC[C@@H]1NC[C@H]2C[C@H]21 P15792 [0,1,0,1,0,0|2,0,0]=4 260 B9R2.54 CN1C[C@H]2[C@H](N)[C@H]2C1 P12160 [0,1,0,1,0,0|1,0,0]=3 261 B9R2.8 CN1CC2CC(C1)N2 P14529 [0,1,0,1,0,0|1,0,0]=3 262 B9R2.8 O=C1CC2CC(C1)C2 P20287 [0,1,0,1,0,0|1,0,1]=4 263 B9R2.38 CN1CC2CC2(N)C1 P18871 [0,1,0,1,0,0|1,0,0]=3 264 B9R2.39 FC1CC2CC1CN2 P20400 [0,1,0,1,0,0|2,0,0]=4 265 B9R2.39 OC1CC2CNC1C2 P15968 [0,1,0,1,0,0|2,0,0]=4 266 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 P15209 [0,1,0,1,0,0|0,0,0]=2 267 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1N2 P15722 [0,1,0,1,0,0|0,0,0]=2