0 B8R1.18 CC1=NC(C)C(C)S1 A10763 [0,0,0,0,0,0|2,1,1]=4 1 B8R1.18 CC1CC(=O)OC1C AC8330 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.18 CC1CC(=O)OC1O S10278 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.18 CC1NC(=O)CC1O 94943 [0,0,0,0,0,0|2,1,1]=4 4 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,0,0,0,0,0|2,1,1]=4 5 B8R1.18 N[C@H]1C[C@H](O)[C@H](O)C1 F50033 [0,0,0,0,0,0|3,1,0]=4 6 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.2 CC1CC(O)CN1 AT24888 [1,0,0,0,0,0|1,1,0]=3 8 B7R1.2 CC1CNC(C)C1 83923 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.2 CN1CC[C@H](N)C1 56133 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.2 CN1CC[C@H](N)C1 AT11189 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.2 C[C@@H]1C[C@H](F)CN1 73102 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [1,0,0,0,0,0|1,0,0]=2 14 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.2 N[C@H]1CC[C@H](F)C1 C93268 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 N[C@H]1CC[C@H](F)C1 C93270 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 O=C1C[C@H](S)CN1 39278 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.4 CC1CNCC1O 72148 [1,0,0,0,0,0|2,1,0]=4 19 B7R1.4 CC1CNCC1O AT22587 [1,0,0,0,0,0|2,1,0]=4 20 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.4 C[C@@H]1CNC[C@@H]1N AT23641 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.4 C[C@@H]1CNC[C@@H]1N F13020 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.4 C[C@@H]1CNC[C@@H]1N F13021 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.4 NC1CCCC1N 77840 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [1,0,0,0,0,0|2,1,0]=4 26 B7R1.4 N[C@H]1CCOC1=O S11138 [1,0,0,0,0,0|2,0,1]=4 27 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [1,0,0,0,0,0|2,1,0]=4 28 B9R1.37 C[C@@H]1OC(O)[C@@H](O)[C@H]1O C15163 [0,1,0,0,0,0|1,1,0]=3 29 B9R1.38 C[C@@H]1CC(=O)C(C)(C)C1 T72217 [0,1,0,0,0,0|1,1,1]=4 30 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,0,1,0,0,0|2,0,1]=4 31 B7R0.2 C[C@@H](CN)CN(C)C F12739 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.5 CC(C)[C@@H](N)CCO F53378 [0,0,1,0,0,0|3,0,0]=4 33 B7R0.5 CC(C)[C@@H](N)CCO F53539 [0,0,1,0,0,0|3,0,0]=4 34 B7R0.5 CC(C)[C@@H](N)CCO F53816 [0,0,1,0,0,0|3,0,0]=4 35 B7R0.5 CCOC(=N)C(C)C W12825 [0,0,1,0,0,0|2,0,1]=4 36 B7R0.5 COC[C@H](N)C(C)C 71787 [0,0,1,0,0,0|3,0,0]=4 37 B7R0.7 CCC[C@H](N)CCO N15481 [0,0,1,0,0,0|2,1,0]=4 38 B7R0.7 CCC[C@H](N)CCO N15482 [0,0,1,0,0,0|2,1,0]=4 39 B7R0.7 CCOC(=O)CCN F19878 [0,0,1,0,0,0|2,0,1]=4 40 B7R0.7 CCS[C@@H](C)CC=O D86335 [0,0,1,0,0,0|0,2,1]=4 41 B9R2.39 CC1=CC2CCC1C2 75573 [0,0,0,1,0,0|2,0,1]=4 42 B9R2.39 CC1CC2C=CC1C2 A10533 [0,0,0,1,0,0|2,0,1]=4 43 B9R2.39 NC1CC2CCC1C2 F30523 [0,0,0,1,0,0|2,0,0]=3 44 B9R2.39 NC1CC2CCC1O2 P12536 [0,0,0,1,0,0|1,0,0]=2 45 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24377 [0,0,0,1,0,0|2,0,0]=3 46 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24388 [0,0,0,1,0,0|2,0,0]=3 47 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24387 [0,0,0,1,0,0|2,0,0]=3 48 B9R2.39 O=C1OC2CCC1C2 P17974 [0,0,0,1,0,0|2,0,1]=4 49 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1O2 F50034 [0,0,0,1,0,0|0,1,0]=2 50 B9R2.39 O[C@H]1C[C@@H]2C[C@H]1CN2 D79090 [0,0,0,1,0,0|2,1,0]=4 51 B9R2.39 O[C@H]1C[C@H]2C[C@@H]1CN2 D79089 [0,0,0,1,0,0|2,1,0]=4 52 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [0,0,0,0,0,1|1,1,1]=4 53 B9R1.34 CC1CC(=O)CC(C)S1 89934 [0,0,0,0,0,1|0,2,1]=4 54 B9R1.34 CC1CC(O)CC(C)N1 32765 [0,0,0,0,0,1|1,1,0]=3 55 B9R1.34 CC1CC(O)CC(C)O1 AT13096 [0,0,0,0,0,1|0,1,0]=2 56 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [0,0,0,0,0,1|1,1,1]=4 57 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [0,0,0,0,0,1|0,1,1]=3 58 B9R1.69 CC1COC(C)C(C)N1 F18841 [0,0,0,0,0,1|2,0,0]=3 59 B6R0.1 CCC[C@H](C)CBr S11885 [1,0,1,0,0,0|2,0,0]=4 60 B6R0.1 CC[C@H](N)CCO AT22371 [1,0,1,0,0,0|1,0,0]=3 61 B6R0.1 CC[C@H](N)COC D87652 [1,0,1,0,0,0|2,0,0]=4 62 B6R0.1 CC[C@H](N)COC D87653 [1,0,1,0,0,0|2,0,0]=4 63 B6R0.1 CNC[C@H](O)CO 56523 [1,0,1,0,0,0|1,1,0]=4 64 B6R0.1 CNC[C@H](O)CO 56531 [1,0,1,0,0,0|1,1,0]=4 65 B6R0.1 COC[C@@H](C)CO O10176 [1,0,1,0,0,0|2,0,0]=4 66 B6R0.1 COC[C@@H](N)CO 91276 [1,0,1,0,0,0|2,0,0]=4 67 B6R0.1 COC[C@@H](N)CO 91277 [1,0,1,0,0,0|2,0,0]=4 68 B6R0.1 COC[C@@H](N)CO C90595 [1,0,1,0,0,0|2,0,0]=4 69 B6R0.1 CSC[C@@H](N)CO 96818 [1,0,1,0,0,0|2,0,0]=4 70 B6R0.1 CSC[C@@H](N)CO 96819 [1,0,1,0,0,0|2,0,0]=4 71 B6R0.1 C[C@H](CN)CCO AT20757 [1,0,1,0,0,0|1,1,0]=4 72 B6R0.1 C[C@H](CO)CCO 96740 [1,0,1,0,0,0|1,1,0]=4 73 B6R0.1 NC[C@@H](N)CCO AT20759 [1,0,1,0,0,0|2,0,0]=4 74 B6R0.1 N[C@H](CO)CCO AB10001 [1,0,1,0,0,0|2,0,0]=4 75 B6R0.2 CC(C)C[C@H](C)N 90224 [1,0,1,0,0,0|2,0,0]=4 76 B6R0.4 CC(C)OCCS AT13760 [1,0,1,0,0,0|0,0,0]=2 77 B6R0.4 CCNC[C@H](C)O 91070 [1,0,1,0,0,0|1,0,0]=3 78 B6R0.4 C[C@H](N)CCCO AT20758 [1,0,1,0,0,0|2,0,0]=4 79 B6R0.4 C[C@H](O)CCC#N F51113 [1,0,1,0,0,0|1,0,1]=4 80 B6R0.4 C[C@H](O)CCCBr A11305 [1,0,1,0,0,0|1,0,0]=3 81 B6R0.4 C[C@H](O)CCCN AT20756 [1,0,1,0,0,0|1,0,0]=3 82 B6R0.4 [2H][C@H](Br)CCCC D99408 [1,0,1,0,0,0|2,0,0]=4 83 B6R0.3 CC(O)C(N)CO D75101 [1,0,1,0,0,0|2,0,0]=4 84 B6R0.3 CCC(C)C(C)N 78513 [1,0,1,0,0,0|1,0,0]=3 85 B6R0.3 CCC(N)C(C)O N14662 [1,0,1,0,0,0|1,0,0]=3 86 B6R0.3 CC[C@H](N)C(C)C 74049 [1,0,1,0,0,0|2,0,0]=4 87 B6R0.3 CC[C@H](S)C(=O)O F11548 [1,0,1,0,0,0|1,0,1]=4 88 B6R0.3 C[C@@H](O)[C@@H](N)CO D75102 [1,0,1,0,0,0|2,0,0]=4 89 B6R0.3 C[C@@H](O)[C@@H](N)CO D75104 [1,0,1,0,0,0|2,0,0]=4 90 B6R0.6 CCOCCNN AC6859 [1,0,1,0,0,0|2,0,0]=4 91 B6R0.6 CCOCCON AT14482 [1,0,1,0,0,0|2,0,0]=4 92 B6R1.2 C[C@H]1CCNC1 71655 [2,0,0,0,0,0|2,0,0]=4 93 B6R1.2 FC1CCCC1 T71800 [2,0,0,0,0,0|2,0,0]=4 94 B6R1.2 F[C@H]1CCNC1 FD10498 [2,0,0,0,0,0|2,0,0]=4 95 B6R1.2 O[C@H]1CNOC1 AT14847 [2,0,0,0,0,0|1,1,0]=4 96 B8R0.5 CC(C)OC(=O)CCS FD10479 [0,1,1,0,0,0|1,0,1]=4 97 B8R0.19 CC(CO)NC(C)CO O10556 [0,1,1,0,0,0|1,1,0]=4 98 B8R0.19 CCC(C)CC(N)CO AT16871 [0,1,1,0,0,0|2,0,0]=4 99 B8R0.19 O[C@H](CCl)C[C@H](O)CCl F18468 [0,1,1,0,0,0|1,1,0]=4 100 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [0,1,1,0,0,0|0,1,1]=4 101 B8R0.24 CC[C@H](C)CC(C)(C)C T71897 [0,1,1,0,0,0|2,0,0]=4 102 B8R0.24 C[C@@H](CN)OC(C)(C)C AT13985 [0,1,1,0,0,0|1,0,0]=3 103 B8R0.24 C[C@@H](CO)OC(C)(C)C AT13984 [0,1,1,0,0,0|0,1,0]=3 104 B8R0.34 CC(C)C[C@](C)(N)CO AT19787 [0,1,1,0,0,0|1,1,0]=4 105 B8R0.34 CC(C)C[C@](C)(N)CO C90641 [0,1,1,0,0,0|1,1,0]=4 106 B8R0.34 CC(C)NC(C)(C)CO AC8707 [0,1,1,0,0,0|1,1,0]=4 107 B8R0.3 CCCC(C)C(C)CC T71461 [0,1,1,0,0,0|2,0,0]=4 108 B8R0.3 CCCC(C)C(N)CO AT16873 [0,1,1,0,0,0|2,0,0]=4 109 B8R0.8 CCCC[C@H](C)C(C)C T70746 [0,1,1,0,0,0|2,0,0]=4 110 B8R1.1 CC1CC(CO)CN1 W10508 [1,1,0,0,0,0|1,1,0]=4 111 B8R1.1 CN1CC[C@H](CCl)C1 AC6371 [1,1,0,0,0,0|2,0,0]=4 112 B8R1.1 NCC1CCC(F)C1 D72883 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91823 [1,1,0,0,0,0|2,0,0]=4 114 B8R1.1 N[C@@H]1CN[C@H](CO)C1 91824 [1,1,0,0,0,0|2,0,0]=4 115 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [1,1,0,0,0,0|1,0,1]=4 116 B8R1.1 OCC1CCC(F)C1 AT22250 [1,1,0,0,0,0|2,0,0]=4 117 B8R1.1 OC[C@H]1C[C@H](O)CN1 F13011 [1,1,0,0,0,0|1,1,0]=4 118 B8R1.50 CC1CCC(C)C1=O F12414 [1,1,0,0,0,0|1,0,0]=3 119 B8R1.51 CC1(C)CC(=O)CO1 P20320 [1,1,0,0,0,0|0,1,1]=4 120 B8R1.11 CO[C@H]1CCC[C@@H]1N AT13762 [1,1,0,0,0,0|2,0,0]=4 121 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11485 [1,1,0,0,0,0|1,1,0]=4 122 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11487 [1,1,0,0,0,0|1,1,0]=4 123 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11488 [1,1,0,0,0,0|1,1,0]=4 124 B8R1.11 N[C@H]1CCC[C@H]1CO AT21374 [1,1,0,0,0,0|2,0,0]=4 125 B8R1.11 OC[C@H]1OCC[C@@H]1O E71898 [1,1,0,0,0,0|0,1,0]=3 126 B8R1.19 CC1(C)CCC[C@@H]1N P20914 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.8 CC1CC(C)CC(C#N)C1 F53847 [0,1,0,0,0,1|2,0,0]=4 128 B10R1.329 CC1CC(Br)CC(C)(C)C1 AT10305 [0,1,0,0,0,1|2,0,0]=4 129 B10R1.329 CC1CC(N)CC(C)(C)C1 A12109 [0,1,0,0,0,1|2,0,0]=4 130 B8R1.4 CC1CCNC(C)C1 D87679 [0,0,1,1,0,0|2,0,0]=4 131 B8R1.4 CC1CNCC(C)S1 AT10825 [0,0,1,1,0,0|1,1,0]=4 132 B8R1.4 CC1CNC[C@H](C)O1 F18928 [0,0,1,1,0,0|1,0,0]=3 133 B8R1.4 CC1COC[C@H](C)N1 F18864 [0,0,1,1,0,0|1,1,0]=4 134 B8R1.4 CC1COC[C@H](C)N1 F18890 [0,0,1,1,0,0|1,1,0]=4 135 B8R1.4 CC1COC[C@H](C)N1 F18927 [0,0,1,1,0,0|1,1,0]=4 136 B8R1.4 CC1COC[C@H](C)N1 F18931 [0,0,1,1,0,0|1,1,0]=4 137 B8R1.4 CC1CSCC(C)N1 AT10826 [0,0,1,1,0,0|1,0,0]=3 138 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [0,0,1,1,0,0|2,0,0]=4 139 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [0,0,1,1,0,0|1,0,0]=3 140 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [0,0,1,1,0,0|2,0,0]=4 141 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [0,0,1,1,0,0|1,0,0]=3 142 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [0,0,1,1,0,0|2,0,0]=4 143 B8R1.4 C[C@H]1CNC[C@H](C)N1 38269 [0,0,1,1,0,0|2,0,0]=4 144 B8R1.4 C[C@H]1CNC[C@H](C)N1 P18598 [0,0,1,1,0,0|2,0,0]=4 145 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [0,0,1,1,0,0|1,0,0]=3 146 B8R1.4 C[C@H]1COC[C@@H](C)N1 70215 [0,0,1,1,0,0|1,1,0]=4 147 B8R1.4 C[C@H]1COC[C@@H](C)N1 S12171 [0,0,1,1,0,0|1,1,0]=4 148 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [0,0,1,1,0,0|1,1,0]=4 149 B8R1.4 NC1COCC(O)C1 W16026 [0,0,1,1,0,0|2,0,0]=4 150 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [0,0,1,1,0,0|1,0,0]=3 151 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [0,0,1,1,0,0|1,0,0]=3 152 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,0,1,1,0,0|0,1,1]=4 153 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 AT24349 [0,0,1,1,0,0|1,1,0]=4 154 B8R1.34 CC(C)CC1CNC1 E71784 [0,0,1,1,0,0|2,0,0]=4 155 B8R1.34 CC(C)NC1CCC1 AT13081 [0,0,1,1,0,0|2,0,0]=4 156 B8R1.34 C[C@H](N)CC1CCC1 55436 [0,0,1,1,0,0|2,0,0]=4 157 B8R1.53 CC1(C)CC(CN)C1 P12136 [0,0,1,1,0,0|2,0,0]=4 158 B8R1.53 CC1(C)CC(CN)C1 P14089 [0,0,1,1,0,0|2,0,0]=4 159 B8R1.53 C[C@]1(O)C[C@H](CN)C1 38871 [0,0,1,1,0,0|2,0,0]=4 160 B8R1.5 CC1CCNCC1O 38881 [0,0,1,1,0,0|2,0,0]=4 161 B8R1.5 CC1NCCCC1O W19147 [0,0,1,1,0,0|1,1,0]=4 162 B8R1.5 CC1NCCSC1C AT25273 [0,0,1,1,0,0|1,0,0]=3 163 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [0,0,1,1,0,0|2,0,0]=4 164 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [0,0,1,1,0,0|2,0,0]=4 165 B8R1.5 C[C@@H]1NCCN[C@H]1C AT24345 [0,0,1,1,0,0|2,0,0]=4 166 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [0,0,1,1,0,0|2,0,0]=4 167 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [0,0,1,1,0,0|2,0,0]=4 168 B8R1.5 NC1CCCCC1O F13372 [0,0,1,1,0,0|1,0,0]=3 169 B8R1.5 NC1CCOCC1O AT20154 [0,0,1,1,0,0|2,0,0]=4 170 B8R1.5 N[C@@H]1CCCC[C@@H]1F AT23366 [0,0,1,1,0,0|2,0,0]=4 171 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [0,0,1,1,0,0|1,0,0]=3 172 B8R1.5 N[C@H]1CCNC[C@@H]1O D76889 [0,0,1,1,0,0|2,0,0]=4 173 B8R1.5 N[C@H]1CCOC[C@@H]1O AT20174 [0,0,1,1,0,0|2,0,0]=4 174 B8R1.5 N[C@H]1CCOC[C@@H]1O P19349 [0,0,1,1,0,0|2,0,0]=4 175 B8R1.5 O[C@H]1CNCC[C@H]1O 37852 [0,0,1,1,0,0|1,1,0]=4 176 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,0,1,1,0,0|0,1,1]=4 177 B8R1.7 CC(C)C1CCCC1 T72412 [0,0,1,1,0,0|2,0,0]=4 178 B8R1.7 CC(C)[C@@H]1CCCN1 P10941 [0,0,1,1,0,0|2,0,0]=4 179 B8R1.7 CC(C)[C@@H]1CCCN1 P12433 [0,0,1,1,0,0|2,0,0]=4 180 B8R1.7 CC(N)C1CCCO1 D75138 [0,0,1,1,0,0|1,0,0]=3 181 B8R1.7 CC(O)C1CCNC1 72765 [0,0,1,1,0,0|2,0,0]=4 182 B8R1.7 CC(O)C1CCNC1 W10547 [0,0,1,1,0,0|2,0,0]=4 183 B8R1.7 CC(O)[C@@H]1CCCN1 AT26535 [0,0,1,1,0,0|1,0,0]=3 184 B8R1.7 C[C@H](N)C1CCCC1 79900 [0,0,1,1,0,0|2,0,0]=4 185 B8R1.7 C[C@H](N)C1CCCC1 79901 [0,0,1,1,0,0|2,0,0]=4 186 B8R1.7 C[C@H](N)C1CCCO1 79855 [0,0,1,1,0,0|1,0,0]=3 187 B8R1.7 C[C@H](N)C1CCCO1 79856 [0,0,1,1,0,0|1,0,0]=3 188 B8R1.7 C[C@H](N)C1CCCO1 79857 [0,0,1,1,0,0|1,0,0]=3 189 B8R1.7 C[C@H](N)C1CCCO1 79858 [0,0,1,1,0,0|1,0,0]=3 190 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [0,0,1,1,0,0|1,0,1]=4 191 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [0,0,1,1,0,0|1,0,1]=4 192 B8R1.78 CC(C)C1(N)CCC1 AT20136 [0,0,1,1,0,0|2,0,0]=4 193 B8R1.8 CCC[C@H]1CCCN1 N12832 [0,0,1,1,0,0|2,0,0]=4 194 B8R1.8 CCN[C@H]1CCNC1 T71595 [0,0,1,1,0,0|2,0,0]=4 195 B8R1.8 CCN[C@H]1CCNC1 T72393 [0,0,1,1,0,0|2,0,0]=4 196 B8R1.8 CCN[C@H]1CCOC1 P12313 [0,0,1,1,0,0|1,1,0]=4 197 B8R1.8 N#CC[C@H]1CCCO1 35201 [0,0,1,1,0,0|1,0,1]=4 198 B8R1.8 NCCC1CCCC1 23497 [0,0,1,1,0,0|2,0,0]=4 199 B8R1.8 NCC[C@H]1CCCO1 AT11471 [0,0,1,1,0,0|1,0,0]=3 200 B8R1.8 OCC[C@H]1CCCO1 56770 [0,0,1,1,0,0|0,1,0]=3 201 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,0,1,1,0,0|2,0,0]=4 202 B8R1.22 C[C@H]1CCNCCN1 AT20047 [0,0,1,1,0,0|2,0,0]=4 203 B8R1.22 C[C@H]1CCNCCN1 AT20048 [0,0,1,1,0,0|2,0,0]=4 204 B8R1.22 C[C@H]1CCNCCN1 AT20119 [0,0,1,1,0,0|2,0,0]=4 205 B8R2.34 C1CC2CCC1O2 T72216 [1,0,0,1,0,0|0,0,0]=2 206 B8R2.34 C1CN2CCC1C2 F15254 [1,0,0,1,0,0|2,0,0]=4 207 B8R2.34 C1NC2CNC1C2 F18865 [1,0,0,1,0,0|2,0,0]=4 208 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F12544 [1,0,0,1,0,0|2,0,0]=4 209 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F19020 [1,0,0,1,0,0|2,0,0]=4 210 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12317 [1,0,0,1,0,0|1,0,0]=3 211 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D74723 [1,0,0,1,0,0|1,1,0]=4 212 B8R2.2 CC12CCCC1O2 AT16552 [1,0,0,1,0,0|1,1,0]=4 213 B8R2.2 C[C@]12CCCC1O2 F50046 [1,0,0,1,0,0|1,1,0]=4 214 B10R2.71 NC1C[C@@H]2CC[C@H](C1)O2 D78831 [0,0,0,1,0,1|1,0,0]=3 215 B10R2.71 OC1CC2CCC(C1)C2 54788 [0,0,0,1,0,1|1,1,0]=4 216 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)N2 P10202 [0,0,0,1,0,1|1,1,0]=4 217 B10R2.178 O[C@H]1CC[C@H]2CC[C@@H]1N2 D79171 [0,0,0,1,0,1|1,1,0]=4 218 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 P15058 [0,1,0,1,0,0|1,1,0]=4 219 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 P15059 [0,1,0,1,0,0|1,1,0]=4 220 B10R3.38 C1C[C@@H]2C[C@H]1C3OC32 T72214 [0,0,0,2,0,0|1,1,0]=4 221 B6R1.4 CC1CCC1N W15200 [1,0,0,0,1,0|1,0,0]=3 222 B6R1.4 CC1NCC1O P13360 [1,0,0,0,1,0|1,1,0]=4 223 B6R1.4 CC1OCC1N P20429 [1,0,0,0,1,0|1,0,0]=3 224 B6R1.4 C[C@H]1NC[C@@H]1O AT24512 [1,0,0,0,1,0|1,1,0]=4 225 B6R1.4 N[C@H]1CC[C@@H]1O AT10977 [1,0,0,0,1,0|2,0,0]=4 226 B6R1.5 CC1CC(C)N1 P20516 [1,0,0,0,1,0|1,0,0]=3 227 B6R1.5 C[C@H]1C[C@@H](C)N1 D79633 [1,0,0,0,1,0|1,0,0]=3 228 B6R1.5 NC1CC(Cl)C1 AT13059 [1,0,0,0,1,0|2,0,0]=4 229 B6R1.5 NC1CC(F)C1 P12018 [1,0,0,0,1,0|2,0,0]=4 230 B6R1.5 N[C@H]1C[C@@H](Br)C1 AT13083 [1,0,0,0,1,0|2,0,0]=4 231 B6R1.5 N[C@H]1C[C@@H](O)C1 29968 [1,0,0,0,1,0|1,1,0]=4 232 B6R1.5 O[C@H]1C[C@H](Br)C1 AT12400 [1,0,0,0,1,0|1,1,0]=4 233 B8R0.9 CCC(C)CCC(C)N C14677 [0,0,1,0,0,1|2,0,0]=4 234 B8R1.3 CC1CNC(C)CN1 AC2834 [1,0,0,0,0,1|2,0,0]=4 235 B8R1.3 CC1CNC(C)CN1 AT23784 [1,0,0,0,0,1|2,0,0]=4 236 B8R1.3 CC1COC(C)CN1 F12415 [1,0,0,0,0,1|1,0,0]=3 237 B8R1.3 CN1CCC(S)CC1 AT13364 [1,0,0,0,0,1|2,0,0]=4 238 B8R1.3 C[C@H]1CC[C@@H](N)CC1 N13044 [1,0,0,0,0,1|2,0,0]=4 239 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [1,0,0,0,0,1|1,0,0]=3 240 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [1,0,0,0,0,1|0,1,1]=4 241 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [1,0,0,0,0,1|0,1,1]=4 242 B8R1.3 C[C@H]1CN[C@H](C)CO1 S11084 [1,0,0,0,0,1|1,0,0]=3