0 B7R0.9 CC(C)(C)CB(O)O C10943 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(C)OC(C)(C)C A10887 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.9 C[N+](C)(C)CC(=O)O D85123 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 CC(Br)CC(C)Br T70499 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.2 CC(C)CC(N)=O C75541 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.2 C[C@H](N)CN(C)C 76720 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,0,0,0,0,0|1,1,1]=4 7 B6R0.2 C[C@H](O)CN(C)C A11394 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.5 C#CCC(C)(C)O 77946 [1,0,0,0,0,0|0,1,2]=4 9 B6R0.5 C=CCC(C)(C)C T71314 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.5 CC(C)(C)C=NO AR2360 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.5 CC(C)(C)CCI D86336 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.5 CC(C)(F)CCN W17442 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.5 CC(C)(O)CCN A51232 [1,0,0,0,0,0|1,1,0]=3 14 B6R0.5 CC(C)(O)CON AC7988 [1,0,0,0,0,0|2,1,0]=4 15 B6R0.5 CNCC(C)(C)F 85781 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.5 C[Si](C)(C)CCS 74594 [1,0,0,0,0,0|1,2,0]=4 17 B8R0.24 CC[C@H](C)OC(C)(C)C A10768 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.24 COC(=O)CC(C)(C)Br A11663 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.24 COC(=O)CC(C)(C)O C75882 [0,1,0,0,0,0|0,1,2]=4 20 B8R0.27 CC(C)(C)[C@H](N)C(=O)O C14699 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 62402 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31225 [0,1,0,0,0,0|1,1,1]=4 23 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31227 [0,1,0,0,0,0|1,1,1]=4 24 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 56185 [0,1,0,0,0,0|1,1,1]=4 25 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 77791 [0,1,0,0,0,0|1,1,1]=4 26 B8R0.27 CC(C)(S)[C@H](N)C(=O)O I10039 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.27 C[C@H](Br)C(=O)C(C)(C)C AC1895 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.33 CC(C)(O)CC(C)(C)O T70643 [0,1,0,0,0,0|0,1,0]=2 29 B8R0.34 CC(C)(C#N)CC(=O)O AT13969 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.34 CC(C)(CN)CC(=O)O C11406 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.42 CC(C)CC1(N)CC1 F14584 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,0,0,1,0,0|1,0,2]=4 33 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.51 CC1(C)COC(=O)C1 82056 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.51 N[C@H]1CCC(F)(F)C1 80165 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.51 O=S1(=O)CC[C@H](O)C1 F14685 [0,0,0,1,0,0|2,1,0]=4 37 B8R1.73 CC1(N)CC(F)(F)C1 38843 [0,0,0,1,0,0|3,0,0]=4 38 B6R0.7 CC(=O)C(C)(C)N 71804 [0,0,0,0,1,0|1,0,2]=4 39 B6R0.7 CC(C)(S)C(=O)O F17054 [0,0,0,0,1,0|1,0,1]=3 40 B6R0.7 CC(C)C(C)(C)Cl H10395 [0,0,0,0,1,0|2,0,0]=3 41 B6R0.7 C[C@H](N)C(C)(C)C F16897 [0,0,0,0,1,0|2,0,0]=3 42 B6R0.7 C[C@H](N)C(C)(C)C N11972 [0,0,0,0,1,0|2,0,0]=3 43 B6R0.7 C[C@H](N)C(C)(C)O 86272 [0,0,0,0,1,0|1,1,0]=3 44 B6R0.7 C[C@H](N)C(C)(F)F 91519 [0,0,0,0,1,0|3,0,0]=4 45 B6R0.7 C[C@H](O)C(C)(C)C D93306 [0,0,0,0,1,0|1,0,0]=2 46 B6R0.7 C[C@H](O)C(C)(C)O D80869 [0,0,0,0,1,0|0,1,0]=2 47 B6R0.7 C[C@H](O)C(F)(F)F W16425 [0,0,0,0,1,0|3,0,0]=4 48 B8R0.29 CC(C)(S)CCC(=O)O P19032 [0,0,0,0,0,1|1,0,1]=3 49 B8R0.29 CC(C)=CCC(C)(C)C D93076 [0,0,0,0,0,1|2,0,1]=4 50 B8R0.29 CC(C)COC(C)(C)C A10962 [0,0,0,0,0,1|2,0,0]=3 51 B8R0.29 CC(C)NCC(C)(C)N C11974 [0,0,0,0,0,1|2,0,0]=3 52 B8R0.29 CN(C)CCC(C)(C)N C90168 [0,0,0,0,0,1|3,0,0]=4 53 B5R0.1 C=CC[C@H](C)O 71459 [2,0,0,0,0,0|0,0,2]=4 54 B5R0.1 C=CC[C@H](C)O A12634 [2,0,0,0,0,0|0,0,2]=4 55 B5R0.1 CCC[C@H](C)N P14575 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.1 CCC[C@H](C)N Y10887 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.1 CN(C)CCO D93012 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.1 CNC[C@H](C)O AC1157 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.1 CNC[C@H](C)O N12528 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.1 COC[C@H](C)Br 78860 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.1 COC[C@H](C)N 25526 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 COC[C@H](C)N D95458 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 COC[C@H](C)N W17998 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 C[C@H](O)CC#N 87623 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.1 C[C@H](O)CCN 83616 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.1 C[C@H](O)CON O10313 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 C[S+](C)CCCl 77752 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 OCCC(F)F P18054 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.4 CC(C)(Br)CN 55595 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.4 CC(C)(C)NO 77598 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.4 CC(C)(Cl)CCl H11156 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.4 CC(C)(F)CBr 29918 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.4 CC(C)(F)CO P17817 [2,0,0,0,0,0|1,0,0]=3 74 B5R0.4 CC(C)(O)CBr A11164 [2,0,0,0,0,0|1,1,0]=4 75 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [1,1,0,0,0,0|0,0,1]=3 76 B7R0.2 CC(C)CN(C)N=O D93466 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.2 CC[C@H](C)CC(=O)O 63986 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.2 CC[C@H](C)CC(C)=O A11862 [1,1,0,0,0,0|0,0,2]=4 79 B7R0.2 CN(C)C[C@H](O)CO D95190 [1,1,0,0,0,0|1,0,0]=3 80 B7R0.2 COC(C)CC(C)O 78061 [1,1,0,0,0,0|0,0,0]=2 81 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.8 CC(C)(O)CCCN 31824 [1,1,0,0,0,0|0,1,0]=3 84 B7R0.8 CC(C)(O)CCCO AB7595 [1,1,0,0,0,0|0,1,0]=3 85 B7R0.8 C[Si](C)(C)CCON C14911 [1,1,0,0,0,0|1,1,0]=4 86 B7R0.11 CC(C)(CO)CCO W16131 [1,1,0,0,0,0|0,1,0]=3 87 B7R0.11 CCC(C)(C)CCCl F50555 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.11 CCCC(C)(C)C#N T70545 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.11 CCC[C@](C)(N)C#N 20848 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.11 COCC(C)(C)CO BL000418 [1,1,0,0,0,0|1,1,0]=4 91 B7R0.11 C[N+](C)(CF)CCO W18955 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.11 C[N+](C)(CI)CCO F11952 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.14 CC(C)(C)C(=O)CO F50563 [1,1,0,0,0,0|1,0,1]=4 94 B7R0.14 CC(C)(C)[C@@H](N)CO 39285 [1,1,0,0,0,0|1,0,0]=3 95 B7R0.14 CC(C)(O)[C@@H](F)CN 89812 [1,1,0,0,0,0|1,1,0]=4 96 B7R0.14 CC(C)(O)[C@@H](F)CN P18828 [1,1,0,0,0,0|1,1,0]=4 97 B7R0.17 CC(C)(N)C(C)(C)O 53161 [0,1,0,0,1,0|1,0,0]=3 98 B9R0.21 CC(C)(C)NC[C@H](O)CO 71183 [0,1,0,0,0,1|1,0,0]=3 99 B9R0.57 CC(C)C(=O)CC(C)(C)O D93044 [0,1,0,0,0,1|1,1,0]=4 100 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C C11494 [0,1,0,0,0,1|1,0,1]=4 101 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C P17851 [0,1,0,0,0,1|1,0,1]=4 102 B9R0.30 COC(C)(C)CC(C)(C)C D93019 [0,2,0,0,0,0|1,0,0]=3 103 B9R0.44 CCC[C@H](C)CC(C)(C)C D92889 [0,2,0,0,0,0|2,0,0]=4 104 B7R1.2 CN1CC[C@H](Br)C1 C14104 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.2 CN1CC[C@H](N)C1 51282 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.2 CN1CC[C@H](N)C1 51289 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.2 CN1CC[C@H](N)C1 FD9067 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.2 NC1CCC(N)C1 D79385 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.2 NC1CCC(O)C1 21055 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.2 NC1CCC(O)C1 26425 [1,0,0,1,0,0|1,0,0]=3 114 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [1,0,0,1,0,0|1,0,0]=3 119 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [1,0,0,1,0,0|1,0,0]=3 120 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [1,0,0,1,0,0|1,0,0]=3 121 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [1,0,0,1,0,0|1,0,0]=3 122 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [1,0,0,1,0,0|1,0,0]=3 125 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [1,0,0,1,0,0|1,0,0]=3 126 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,1,0,0|0,1,1]=4 127 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [1,0,0,1,0,0|0,1,0]=3 128 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [1,0,0,1,0,0|1,0,1]=4 129 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [1,0,0,1,0,0|1,0,1]=4 130 B7R1.16 CC1(C)CC(=O)C1 P13045 [1,0,0,1,0,0|0,0,2]=4 131 B7R1.16 CC1(C)CC(N)C1 P15356 [1,0,0,1,0,0|1,0,0]=3 132 B7R1.16 CC1(C)CC(O)C1 P16551 [1,0,0,1,0,0|0,0,0]=2 133 B7R1.16 CC1(N)CC(F)C1 P18908 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.16 CC1(N)CC(O)C1 38885 [1,0,0,1,0,0|1,0,0]=3 135 B7R1.16 C[C@]1(N)C[C@@H](O)C1 P13531 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.16 C[C@]1(N)C[C@H](O)C1 38886 [1,0,0,1,0,0|1,0,0]=3 137 B7R1.16 C[C@]1(O)C[C@@H](N)C1 38620 [1,0,0,1,0,0|1,0,0]=3 138 B7R1.20 C[C@H](O)CC1CC1 79072 [1,0,0,1,0,0|0,0,0]=2 139 B7R1.14 CC1(Br)CCCC1 P19649 [1,0,0,1,0,0|1,0,0]=3 140 B7R1.14 CC1(C)CCCN1 71736 [1,0,0,1,0,0|1,0,0]=3 141 B7R1.14 CC1(C)CCCN1 71895 [1,0,0,1,0,0|1,0,0]=3 142 B7R1.14 CC1(C)CCNC1 28371 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.14 CC1(C)COCN1 FD10630 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.14 CC1(N)CCCC1 90423 [1,0,0,1,0,0|1,0,0]=3 145 B7R1.14 C[C@]1(F)CCNC1 P15373 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.14 C[C@]1(N)CCOC1 38927 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.14 C[C@]1(O)CCNC1 D96498 [1,0,0,1,0,0|1,1,0]=4 148 B7R1.14 C[C@]1(O)CCOC1 69114 [1,0,0,1,0,0|0,1,0]=3 149 B7R1.21 CC1(CCO)CC1 P14058 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.21 CC1(CCO)N=N1 F18261 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.21 CCOC1(O)CC1 O10402 [1,0,0,1,0,0|1,1,0]=4 152 B7R1.26 CC(C)(N)C1CC1 72848 [1,0,0,1,0,0|1,0,0]=3 153 B7R1.26 CC(C)(O)C1CC1 78550 [1,0,0,1,0,0|0,1,0]=3 154 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [0,0,0,1,1,0|2,0,0]=4 155 B7R1.19 CC(C)C1(O)CC1 P17163 [0,0,0,1,1,0|1,1,0]=4 156 B9R1.10 CC1(C)CCC(N)CC1 F12447 [0,0,0,1,0,1|2,0,0]=4 157 B9R1.10 CC1(O)CCC(N)CC1 39273 [0,0,0,1,0,1|1,1,0]=4 158 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 P14556 [0,0,0,1,0,1|1,0,0]=3 159 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 38877 [0,0,0,1,0,1|1,0,0]=3 160 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 39275 [0,0,0,1,0,1|1,1,0]=4 161 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 P15459 [0,0,0,1,0,1|0,1,0]=3 162 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 39274 [0,0,0,1,0,1|1,1,0]=4 163 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 D95191 [0,0,0,1,0,1|1,1,0]=4 164 B9R1.51 CC(C)(C)N1CC(N)C1 37983 [0,0,0,1,0,1|2,0,0]=4 165 B9R1.51 CC(C)(O)[C@H]1C[C@H](N)C1 P17823 [0,0,0,1,0,1|1,1,0]=4 166 B9R1.115 CC(C)(C)NC[C@H]1CO1 AB7588 [0,0,0,1,0,1|1,0,0]=3 167 B9R1.146 CC1(C)CCC(C)(C)O1 D92900 [0,0,0,1,0,1|1,1,0]=4 168 B9R1.146 CC1(C)COC(C)(C)C1 D93046 [0,0,0,1,0,1|2,0,0]=4 169 B9R1.66 CC1(C)CCC[C@H](N)C1 P17894 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10992 [0,1,0,1,0,0|1,0,0]=3 171 B9R1.66 CC1(C)C[C@@H](O)CCO1 86677 [0,1,0,1,0,0|0,1,0]=3 172 B9R1.133 CC1(C)CC[C@H](CO)O1 72662 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.133 CC1(C)CC[C@H](CO)O1 93336 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.133 CC1(C)CN[C@@H](CO)C1 50816 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.133 CC1(C)CN[C@@H](CO)C1 F12515 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.133 CC1(C)C[C@H](CN)CO1 P18822 [0,1,0,1,0,0|1,1,0]=4 177 B9R1.133 OC[C@H]1CCC(F)(F)C1 87611 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.200 CC1(CO)CC(F)(F)C1 38905 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.200 NCC1(O)CC(F)(F)C1 P21080 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.223 CC1(C)CC(C)(C)C1=O D79161 [0,1,0,1,0,0|1,1,0]=4 181 B9R1.223 CC1(C)OC(C)(C)C1N P18793 [0,1,0,1,0,0|1,1,0]=4 182 B9R1.128 O=C(O)CC1(CS)CC1 T71880 [0,1,0,1,0,0|1,0,1]=4 183 B9R2.139 C[C@@H]1CNC2(CC2)C1 84543 [0,0,0,2,0,0|2,0,0]=4 184 B9R2.139 N[C@H]1CCC2(CC2)C1 D84821 [0,0,0,2,0,0|2,0,0]=4 185 B9R2.110 NC12CCC(CC1)C2 W16245 [0,0,0,2,0,0|2,0,0]=4 186 B5R0.5 C[C@H](O)[C@H](C)O C91323 [1,0,0,0,1,0|0,1,0]=3 187 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [1,0,0,0,0,1|0,1,0]=3