0 B8R0.7 NCCCOCC(F)F E72835 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.1 C#CCCCCCN D76475 [1,0,0,0,0,0|1,0,2]=4 2 B7R0.1 CCCNNCCC D79943 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.1 NCCCNCCS W12622 [1,0,0,0,0,0|2,1,0]=4 4 B7R0.1 NCCC\C=C\CO AT22200 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.1 NCCSSCCO C70186 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.1 NOCCOCCO C70226 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 CCCCC[13C](=O)O 41454 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.4 C[S@](=O)CCCCN AT23964 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.2 CNCCOCCC(=O)O C70436 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.4 CCCC[C@H](C)CC(=O)O AC9392 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.38 [2H]C([2H])([2H])CCCCCBr D98044 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.2 CC1CNCC(CO)O1 AT18644 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.2 CCC1COCC(C)N1 F18880 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.2 CC[C@H]1COC[C@H](C)N1 F19142 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.2 CN[C@H]1CCCN(C)C1 D72293 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.2 CN[C@H]1CCCN(C)C1 D76621 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.2 CO[C@H]1CCC[C@H](O)C1 P18694 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.2 C[C@@H]1CNC[C@H](CO)O1 AT18648 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.2 C[C@H]1CNC[C@H](CO)O1 AT18646 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.2 C[C@H]1CNC[C@H](CO)O1 AT18647 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.6 CN(C)[C@H]1CCCNC1 D75793 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.6 CN(C)[C@H]1CCCNC1 D75794 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.6 C[C@H](N)C1CCCCO1 79890 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.6 C[C@H](N)C1CCCCO1 79892 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.6 C[C@H](N)C1CCCCO1 79893 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.6 C[C@H](N)C1CCOCC1 AT13560 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.6 C[C@H](O)C1CCCCC1 AT26083 [0,0,0,1,0,0|0,0,0]=1 29 B9R1.6 C[C@H](O)C1CCNCC1 C77461 [0,0,0,1,0,0|1,0,0]=2 30 B9R1.6 N[S@@](=O)C1CCCCC1 D96431 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.7 CCC[C@@H]1CNC(=O)C1 D75748 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.7 NCCN1CC[C@H](F)C1 AT15663 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.7 NCCN1CC[C@H](F)C1 AT15664 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.13 CC(C)N[C@H]1CCSC1 D72822 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.13 C[C@H](O)CN1CCCC1 AT24867 [0,0,0,1,0,0|1,0,0]=2 36 B9R1.16 C=CCCC[C@H]1C[C@@H]1O C12691 [0,0,0,1,0,0|0,0,2]=3 37 B9R1.24 NC[C@H]1CCCC1(F)F AT22116 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.40 CC1(F)CCNCC1F 73154 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.40 C[C@@H]1CCNC[C@]1(C)O 73177 [0,0,0,1,0,0|1,0,0]=2 40 B9R1.40 C[C@H]1CCNC[C@]1(C)O 73178 [0,0,0,1,0,0|1,0,0]=2 41 B9R1.40 C[C@]1(O)CCNC[C@@H]1F 73152 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.40 C[C@]1(O)CCNC[C@@H]1F C90117 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.40 C[C@]1(O)CCNC[C@@H]1F E71828 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.41 CC(O)C1CCCN1C AT23389 [0,0,0,1,0,0|1,0,0]=2 45 B9R1.41 CC1CCNC1C(=O)O E72830 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.41 CC1CNCC1C(=O)O AT17201 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.41 CN(C)[C@@H]1CCC[C@@H]1O AT26861 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.41 CN(C)[C@@H]1CCC[C@@H]1O F50029 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C AT23383 [0,0,0,1,0,0|1,0,0]=2 50 B9R1.41 C[C@@H](O)[C@@H]1CCCN1C AT23388 [0,0,0,1,0,0|1,0,0]=2 51 B9R1.41 C[C@@H]1CNC[C@@H]1C(=O)O AT17206 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.41 C[C@H](O)[C@@H]1CCCN1C AT23387 [0,0,0,1,0,0|1,0,0]=2 53 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O F13022 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20921 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13968 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.41 O=C(O)C1CCCC1O AT25921 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.48 C[C@H]1CNCC[C@@H](C)O1 E72987 [0,0,0,1,0,0|1,0,0]=2 58 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20135 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.77 NCCC[C@H]1CC1(F)F AT23752 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.77 OCCC[C@H]1CC1(F)F AT23751 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.84 O=C(O)CCC1CNC1 AT26044 [0,0,0,1,0,0|2,0,1]=4 62 B9R1.84 O=C(O)CCC1COC1 52191 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.96 CCN1CC[C@H]1C(=O)O E73037 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.96 CN(C)[C@H]1CC[C@@H]1CO P18110 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.96 CN(C)[C@H]1CC[C@H]1CO P18111 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.96 O=C(O)C1CCC1CO D75979 [0,0,0,1,0,0|2,0,1]=4 67 B9R1.148 CC1(C)CCCCNC1 AT20042 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.148 CC1(C)CNCCNC1 AT20045 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.148 C[C@]1(F)CCCCNC1 73124 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.148 C[C@]1(F)CNCCOC1 73161 [0,0,0,1,0,0|3,0,0]=4 71 B9R1.148 C[C@]1(N)CCCCNC1 AT24711 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.148 C[C@]1(N)CCCNCC1 AT24712 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.148 FC1(F)CCCCNC1 AT11198 [0,0,0,1,0,0|3,0,0]=4 74 B6R0.6 NNCCCCO AB9420 [2,0,0,0,0,0|2,0,0]=4 75 B8R0.1 CCCC[C@H](N)CCO AT14318 [1,1,0,0,0,0|0,0,0]=2 76 B8R0.4 C#CCCCCCCBr AT14297 [1,1,0,0,0,0|0,0,2]=4 77 B8R0.4 C#CCCCCCCI AT14299 [1,1,0,0,0,0|0,0,2]=4 78 B8R0.4 C#CCCCCCCN AT24987 [1,1,0,0,0,0|0,0,2]=4 79 B8R0.4 C#CCCCCCCN D76981 [1,1,0,0,0,0|0,0,2]=4 80 B8R0.4 COCCOCCON C70681 [1,1,0,0,0,0|2,0,0]=4 81 B8R0.5 CC(C)C[C@@H](N)CCO AT14312 [1,1,0,0,0,0|2,0,0]=4 82 B10R0.22 O=P(O)(O)CCCCCCBr C70022 [0,2,0,0,0,0|2,0,0]=4 83 B10R0.22 [2H]C([2H])(Br)CCCCCCC D99457 [0,2,0,0,0,0|2,0,0]=4 84 B10R0.75 CSCCCC[C@H](N)C(=O)O 70962 [0,2,0,0,0,0|1,0,1]=4 85 B10R0.75 NCCCCC[C@H](N)C(=O)O AT25880 [0,2,0,0,0,0|1,0,1]=4 86 B8R1.2 C#C[C@@H]1CCCCO1 AT10034 [1,0,0,1,0,0|0,0,2]=4 87 B8R1.2 C#C[C@@H]1CCCCO1 AT10035 [1,0,0,1,0,0|0,0,2]=4 88 B8R1.2 C#C[C@@H]1CCCCO1 AT10036 [1,0,0,1,0,0|0,0,2]=4 89 B8R1.2 CC[C@H]1CCCCN1 I11451 [1,0,0,1,0,0|1,0,0]=3 90 B8R1.2 CC[C@H]1CNCCN1 77623 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.2 FC[C@H]1CCCCN1 P14250 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.2 NC[C@H]1CCCOC1 P12202 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.2 NC[C@H]1CCCOC1 P12792 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.2 NC[C@H]1CNCCO1 AT21336 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.2 NC[C@H]1CNCCO1 AT21337 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.2 NC[C@H]1CNCCO1 AT21338 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.2 OC[C@H]1CSCCN1 AT25274 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.5 CC1CSCCC1N 70873 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.5 C[C@@H]1CCCC[C@@H]1N FD10501 [1,0,0,1,0,0|1,0,0]=3 100 B8R1.5 C[C@@H]1CCNC[C@@H]1F AT23522 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.5 C[C@@H]1CCNC[C@@H]1O P13523 [1,0,0,1,0,0|1,0,0]=3 102 B8R1.5 C[C@@H]1COCC[C@@H]1N CS2010 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.5 C[C@@H]1COCC[C@@H]1N D75982 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.5 C[C@@H]1OCCN[C@@H]1C 90059 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.5 C[C@@H]1OCCN[C@@H]1C W15992 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.5 C[C@H]1COCC[C@@H]1N P13195 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.5 NC1CCCCC1F 72734 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.5 N[C@@H]1CCOC[C@@H]1O P13194 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.5 N[C@@H]1CCOC[C@@H]1O P13230 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.5 N[C@H]1CCNC[C@@H]1O D76966 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.5 OC1CNCCC1F 72696 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.5 O[C@@H]1CCOC[C@@H]1F P17831 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.5 O[C@@H]1CCOC[C@@H]1F P18924 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.5 O[C@H]1CCNC[C@@H]1F P14099 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.5 O[C@H]1CNCC[C@H]1O 39437 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.8 BrCC[C@H]1CCCN1 C77427 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.8 COC[C@H]1CCNC1 P12587 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.8 NCC[C@H]1CCCO1 AT11472 [1,0,0,1,0,0|1,0,0]=3 119 B8R1.8 NOCC1CCCC1 Y11655 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.10 OCCCC1CCC1 F52481 [1,0,0,1,0,0|0,0,0]=2 121 B8R1.10 OCCNC1COC1 E72818 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.10 OCCOC1CCC1 92926 [1,0,0,1,0,0|1,0,0]=3 123 B8R1.11 C#C[C@@H]1CCC[C@@H]1O AC1025 [1,0,0,1,0,0|0,0,2]=4 124 B8R1.11 C[C@@H]1OCC[C@@H]1CN 73022 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.11 NC1COCC1CO AT19653 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.11 NC1COCC1CO AT19655 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.11 NC[C@H]1COC[C@@H]1O P15682 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21376 [1,0,0,1,0,0|1,0,0]=3 129 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21377 [1,0,0,1,0,0|1,0,0]=3 130 B8R1.11 N[C@H]1COC[C@@H]1CO AT19661 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.11 N[C@H]1COC[C@@H]1CO AT19676 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.11 N[C@H]1COC[C@@H]1CO AT19677 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.11 N[C@H]1COC[C@H]1CO AT19648 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.11 N[C@H]1COC[C@H]1CO AT19656 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.11 N[C@H]1COC[C@H]1CO AT19659 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.11 OC[C@H]1CCC[C@@H]1F 73086 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.12 CCN1CC[C@@H]1CN E73268 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.12 CNC1CCC1OC AT11411 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.13 COCC1CCC1N AT20685 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.17 COC[C@H]1C[C@@H]1CN AT20748 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.17 COC[C@H]1C[C@@H]1CN AT20754 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.17 NCCC1CC1CO AT22591 [1,0,0,1,0,0|1,0,0]=3 143 B8R1.22 C[C@H]1CCNCCN1 91998 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.22 C[C@H]1CCNCCN1 91999 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.22 C[C@H]1CCOCCN1 33399 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.22 C[C@H]1CNCCCN1 D76103 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.22 C[C@H]1COCCCN1 AT11439 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.22 C[C@H]1COCCCN1 AT11440 [1,0,0,1,0,0|2,0,0]=4 149 B8R1.22 F[C@H]1CCCCNC1 72488 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.22 F[C@H]1CCCCNC1 AT25232 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.22 F[C@H]1CCCCNC1 AT25234 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.22 OC1CNCCNC1 AT21564 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.22 O[C@H]1CCCCNC1 AT25228 [1,0,0,1,0,0|1,0,0]=3 154 B8R1.22 O[C@H]1CCCCNC1 AT25231 [1,0,0,1,0,0|1,0,0]=3 155 B8R1.22 O[C@H]1CCCNCC1 AT25235 [1,0,0,1,0,0|1,0,0]=3 156 B8R1.22 O[C@H]1CCCNCC1 AT25242 [1,0,0,1,0,0|1,0,0]=3 157 B8R1.22 O[C@H]1CNCCOC1 AT25211 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.22 O[C@H]1CNCCOC1 AT25212 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.22 O[C@H]1CNCCOC1 AT25213 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.22 SC1CCCCCC1 D76599 [1,0,0,1,0,0|0,1,0]=3 161 B8R1.36 NOCCCC1CC1 AT26811 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.1 C[C@@H]1CC[C@H](CO)N1 W10038 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.1 NCC1CCC(O)C1 D76686 [1,0,0,1,0,0|1,0,0]=3 164 B8R1.1 OCC1CCC(O)C1 D76829 [1,0,0,1,0,0|1,0,0]=3 165 B8R1.1 OC[C@@H]1CC[C@H](F)C1 AT22253 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.1 OC[C@@H]1C[C@H](O)CO1 C15028 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.1 OC[C@@H]1C[C@H](O)CO1 C73873 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.1 OC[C@H]1CC[C@H](F)C1 AT22254 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.4 C[C@@H]1CNC[C@@H](O)C1 AT13826 [1,0,0,1,0,0|1,0,0]=3 170 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [1,0,0,1,0,0|1,0,0]=3 171 B8R1.4 C[C@H]1CNC[C@H](C)N1 C15745 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.4 C[C@H]1CNC[C@H](C)N1 P10621 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.4 C[C@H]1COC[C@H](C)N1 D72922 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.4 C[C@H]1COC[C@H](C)N1 F17621 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.4 N[C@@H]1CCC[C@H](F)C1 P18319 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.4 N[C@@H]1CCC[C@H](O)C1 W10001 [1,0,0,1,0,0|1,0,0]=3 178 B8R1.4 N[C@H]1CCC[C@H](O)C1 W10002 [1,0,0,1,0,0|1,0,0]=3 179 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 AT24411 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.6 CCO[C@H]1C[C@@H](O)C1 AT13089 [1,0,0,1,0,0|1,0,0]=3 181 B8R1.6 CCO[C@H]1C[C@H](N)C1 P13634 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.6 CCO[C@H]1C[C@H](O)C1 AT13088 [1,0,0,1,0,0|1,0,0]=3 183 B8R1.7 CC(O)C1CCOC1 AT21453 [1,0,0,1,0,0|1,0,0]=3 184 B8R1.7 C[C@H](N)[C@@H]1CCCO1 W15865 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.7 C[C@H](O)C1CCOC1 AT21454 [1,0,0,1,0,0|1,0,0]=3 186 B8R1.7 C[C@H](O)C1CCOC1 AT21455 [1,0,0,1,0,0|1,0,0]=3 187 B8R1.7 C[C@H](O)[C@@H]1CCCO1 E72115 [1,0,0,1,0,0|1,0,0]=3 188 B8R1.19 CC1(C)CCC[C@@H]1N P21031 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.19 CC1(O)CCCC1N AT16546 [1,0,0,1,0,0|1,0,0]=3 190 B8R1.19 C[C@]1(O)CCC[C@@H]1N D77066 [1,0,0,1,0,0|1,0,0]=3 191 B8R1.20 CC1CC1CC(=O)O E72880 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [1,0,0,1,0,0|1,0,1]=4 195 B8R1.72 CC1(C)CCCCN1 AT24207 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.72 C[C@]1(F)CCCNC1 73130 [1,0,0,1,0,0|2,0,0]=4 197 B8R1.72 C[C@]1(O)CCCNC1 P19254 [1,0,0,1,0,0|1,0,0]=3 198 B10R1.13 CN(C)[C@H]1CC[C@@H](N)CC1 AT26755 [0,1,0,1,0,0|2,0,0]=4 199 B10R1.13 CN(C)[C@H]1CC[C@H](C)CC1 D74826 [0,1,0,1,0,0|2,0,0]=4 200 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 D96857 [0,1,0,1,0,0|2,0,0]=4 201 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 W17788 [0,1,0,1,0,0|2,0,0]=4 202 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 AT22315 [0,1,0,1,0,0|1,0,1]=4 203 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 P19221 [0,1,0,1,0,0|1,0,1]=4 204 B10R1.54 CC(C)C[C@H]1CCC(=O)C1 33492 [0,1,0,1,0,0|0,0,2]=4 205 B10R1.171 CC1(C)CCC[C@H](CO)N1 AT24250 [0,1,0,1,0,0|2,0,0]=4 206 B10R1.171 CC1(C)CCC[C@H](CO)N1 AT24251 [0,1,0,1,0,0|2,0,0]=4 207 B10R1.10 CC1CC(CCO)CCN1 W10899 [0,1,0,1,0,0|2,0,0]=4 208 B10R1.10 CCC[C@H]1CCNC(=O)C1 AC9817 [0,1,0,1,0,0|0,0,2]=4 209 B10R1.10 CN1CCC[C@H](CCN)C1 P15064 [0,1,0,1,0,0|2,0,0]=4 210 B10R1.10 CN1CCC[C@H](CCN)C1 P15065 [0,1,0,1,0,0|2,0,0]=4 211 B10R1.10 NCCN1CCC[C@H](F)C1 D76520 [0,1,0,1,0,0|2,0,0]=4 212 B10R1.10 NCCN1CCC[C@H](F)C1 D76521 [0,1,0,1,0,0|2,0,0]=4 213 B10R1.10 NCCN1CCC[C@H](F)C1 D76522 [0,1,0,1,0,0|2,0,0]=4 214 B10R1.18 CC(C)C[C@H]1CCCNC1 D72183 [0,1,0,1,0,0|1,0,0]=3 215 B10R1.18 C[C@H](O)CN1CCCCC1 AT24869 [0,1,0,1,0,0|0,0,0]=2 216 B10R1.18 C[C@H](O)CN1CCCCC1 AT24870 [0,1,0,1,0,0|0,0,0]=2 217 B10R1.18 O=C(O)C[C@H]1CCCCN1 C16162 [0,1,0,1,0,0|1,0,1]=4 218 B10R1.38 NC[C@H]1CCCCC1(F)F AT22117 [0,1,0,1,0,0|2,0,0]=4 219 B10R1.61 CC(C)N1CCNC[C@@H]1C AC1158 [0,1,0,1,0,0|2,0,0]=4 220 B10R1.61 CN(C)[C@@H]1CCCC[C@@H]1O AT22766 [0,1,0,1,0,0|2,0,0]=4 221 B10R1.61 CN(C)[C@@H]1CCCC[C@@H]1O AT22767 [0,1,0,1,0,0|2,0,0]=4 222 B10R1.61 CN(C)[C@@H]1CCCC[C@@H]1O AT22770 [0,1,0,1,0,0|2,0,0]=4 223 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O AT24543 [0,1,0,1,0,0|1,0,1]=4 224 B10R1.61 C[C@H]1CCNC[C@@H]1C(=O)O AT24544 [0,1,0,1,0,0|1,0,1]=4 225 B10R1.133 NCC[C@H]1CCCC1(F)F E73298 [0,1,0,1,0,0|2,0,0]=4 226 B10R1.300 CC1CCNCCC1(C)O 73164 [0,1,0,1,0,0|0,0,0]=2 227 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98555 [0,1,0,1,0,0|1,0,1]=4 228 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98556 [0,1,0,1,0,0|1,0,1]=4 229 B10R1.348 O=C(O)[C@H]1CCCCNC1 F16355 [0,1,0,1,0,0|1,0,1]=4 230 B10R1.348 O=C(O)[C@H]1CCCOCC1 85693 [0,1,0,1,0,0|1,0,1]=4 231 B10R1.348 O=C(O)[C@H]1CCCOCC1 85694 [0,1,0,1,0,0|1,0,1]=4 232 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 86842 [0,1,0,1,0,0|1,0,1]=4 233 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 F53765 [0,1,0,1,0,0|1,0,1]=4 234 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 F53766 [0,1,0,1,0,0|1,0,1]=4 235 B10R1.266 N[C@@H](CC(=O)O)C1CCC1 F53812 [0,1,0,1,0,0|1,0,1]=4 236 B10R1.28 CC(C)(C)[C@@H]1CCCCN1 E72943 [0,1,0,1,0,0|2,0,0]=4 237 B10R1.28 CC(C)(N)[C@@H]1CCCCO1 E73145 [0,1,0,1,0,0|2,0,0]=4 238 B10R1.28 CC(C)(O)[C@@H]1CNCCN1 AT19757 [0,1,0,1,0,0|2,0,0]=4 239 B10R1.28 CC(C)(O)[C@@H]1CNCCN1 AT19760 [0,1,0,1,0,0|2,0,0]=4 240 B10R1.28 CC(F)(F)[C@H]1CCCNC1 E72858 [0,1,0,1,0,0|2,0,0]=4 241 B10R1.95 OCC[C@H]1CCC(F)(F)C1 AT26715 [0,1,0,1,0,0|2,0,0]=4 242 B10R1.7 N[C@H]1CCCCCC[C@@H]1O AT10943 [0,1,0,1,0,0|0,0,0]=2 243 B10R1.15 N[C@@H](CF)C1CCCCC1 AC5306 [0,1,0,1,0,0|1,0,0]=3 244 B10R1.15 N[C@@H](CF)C1CCCCC1 AC5309 [0,1,0,1,0,0|1,0,0]=3 245 B10R1.15 N[C@@H](CO)C1CCCCC1 AC7800 [0,1,0,1,0,0|1,0,0]=3 246 B10R1.230 CC1(CO)CCNCC1O 72935 [0,1,0,1,0,0|2,0,0]=4 247 B10R1.232 O[C@@]1(CF)CCCCNC1 73121 [0,1,0,1,0,0|1,0,0]=3 248 B10R1.232 O[C@@]1(CF)CCCNCC1 73115 [0,1,0,1,0,0|1,0,0]=3 249 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11799 [0,1,0,1,0,0|1,0,1]=4 250 B10R1.204 O=C(O)[C@@H](O)CC1CCC1 69650 [0,1,0,1,0,0|1,0,1]=4 251 B10R1.204 O=C(O)[C@@H](O)CC1CCC1 AT24787 [0,1,0,1,0,0|1,0,1]=4 252 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 D73157 [0,0,0,2,0,0|1,0,0]=3 253 B10R2.62 F[C@H]1CN2CCC1CC2 D76227 [0,0,0,2,0,0|2,0,0]=4 254 B10R2.62 N[C@H]1CC2CCC1CC2 D75324 [0,0,0,2,0,0|1,0,0]=3 255 B10R2.62 OC1CC2CCC1NC2 AT23753 [0,0,0,2,0,0|1,0,0]=3 256 B10R2.71 CN1CC2CCC(C1)N2 37856 [0,0,0,2,0,0|2,0,0]=4 257 B10R2.71 F[C@H]1C[C@@H]2CC[C@H](C1)N2 P12142 [0,0,0,2,0,0|2,0,0]=4 258 B10R2.71 NC1CC2CCN(C1)C2 AT25955 [0,0,0,2,0,0|2,0,0]=4 259 B10R2.71 N[C@H]1C[C@@H]2CC[C@H](C1)O2 P14621 [0,0,0,2,0,0|1,0,0]=3 260 B10R2.71 OC1CC2CCN(C1)C2 AT25953 [0,0,0,2,0,0|1,0,0]=3 261 B10R2.71 OC1CC2COC(C1)O2 AT23582 [0,0,0,2,0,0|2,0,0]=4 262 B10R2.99 NCC1CC2CCC1O2 D75654 [0,0,0,2,0,0|1,0,0]=3 263 B10R2.100 CCN1CC2CC(C1)N2 D73056 [0,0,0,2,0,0|2,0,0]=4 264 B10R2.100 OC[C@H]1CC2CC(C2)N1 AT10949 [0,0,0,2,0,0|2,0,0]=4 265 B10R2.236 NC12CCCN(CC1)C2 E73174 [0,0,0,2,0,0|2,0,0]=4 266 B10R2.408 C1CC2CCCC(C1)N2 CS2775 [0,0,0,2,0,0|1,0,0]=3 267 B10R2.534 N[C@H]1CCCC2(CC2)C1 P12702 [0,0,0,2,0,0|1,0,0]=3 268 B10R2.534 N[C@H]1CCOC2(CC2)C1 AT24693 [0,0,0,2,0,0|2,0,0]=4 269 B10R2.534 O[C@H]1CCOC2(CC2)C1 AT24692 [0,0,0,2,0,0|1,0,0]=3 270 B10R2.1 Br[C@H]1CC12CCOCC2 E73414 [0,0,0,2,0,0|2,0,0]=4 271 B10R2.1 N[C@H]1CC12CCCCC2 F53639 [0,0,0,2,0,0|1,0,0]=3 272 B10R2.1 N[C@H]1CC12CCSCC2 AT12976 [0,0,0,2,0,0|2,0,0]=4 273 B10R2.320 N[C@@H]1C[C@@H]2CCCC[C@@H]21 E73256 [0,0,0,2,0,0|1,0,0]=3 274 B10R2.320 O=C1C[C@@H]2CCCC[C@H]12 E73250 [0,0,0,2,0,0|0,0,2]=4 275 B10R2.345 O=C(O)C12CCC1CC2 AT11072 [0,0,0,2,0,0|1,0,1]=4 276 B10R2.351 O=C(O)C1C2CCCC21 D72856 [0,0,0,2,0,0|1,0,1]=4 277 B10R2.2 CN1CC2CNCC2O1 D72776 [0,0,0,2,0,0|2,0,0]=4 278 B10R2.2 NC1CC2CSCC2C1 AT13561 [0,0,0,2,0,0|2,0,0]=4 279 B10R2.2 NC1C[C@H]2CSC[C@@H]2C1 AT13562 [0,0,0,2,0,0|2,0,0]=4 280 B10R2.2 O=C1CC2CCCC2C1 AT20192 [0,0,0,2,0,0|0,0,2]=4 281 B10R2.2 O=C1C[C@@H]2CCC[C@@H]2C1 AT20194 [0,0,0,2,0,0|0,0,2]=4 282 B10R2.2 OC1CC2CCCC2C1 AT20124 [0,0,0,2,0,0|0,0,0]=2 283 B10R2.2 O[C@@H]1C[C@H]2CCO[C@H]2O1 D74251 [0,0,0,2,0,0|2,0,0]=4 284 B10R2.2 O[C@H]1C[C@H]2CCO[C@H]2O1 D74250 [0,0,0,2,0,0|2,0,0]=4 285 B10R2.32 CN1OCC2CNCC21 D72778 [0,0,0,2,0,0|2,0,0]=4 286 B10R2.32 FC1CCC2CNCC12 E72798 [0,0,0,2,0,0|2,0,0]=4 287 B10R2.32 N[C@@H]1CCN2CCC[C@@H]12 D74241 [0,0,0,2,0,0|2,0,0]=4 288 B10R2.32 N[C@H]1CCN2CCC[C@@H]12 D74239 [0,0,0,2,0,0|2,0,0]=4 289 B10R2.32 O=C1CC[C@@H]2CCC[C@H]12 E73246 [0,0,0,2,0,0|0,0,2]=4 290 B10R2.32 OC1COC2OCCC12 91361 [0,0,0,2,0,0|2,0,0]=4 291 B10R2.32 O[C@@H]1CO[C@@H]2OCC[C@H]12 D74392 [0,0,0,2,0,0|2,0,0]=4 292 B10R2.32 O[C@H]1CCN2CCC[C@@H]12 69973 [0,0,0,2,0,0|1,0,0]=3 293 B10R2.32 O[C@H]1CC[C@@H]2CCN[C@H]12 C77459 [0,0,0,2,0,0|1,0,0]=3 294 B10R2.32 O[C@H]1CN[C@@H]2COC[C@@H]21 W16305 [0,0,0,2,0,0|2,0,0]=4 295 B10R2.332 F[C@H]1CCC2(CNC2)C1 P14277 [0,0,0,2,0,0|2,0,0]=4 296 B10R2.332 N[C@@H]1COC2(CCC2)C1 E72983 [0,0,0,2,0,0|2,0,0]=4 297 B10R2.332 O[C@H]1CCC2(CNC2)C1 AT10222 [0,0,0,2,0,0|1,0,0]=3 298 B10R2.316 NC1CC2(CCOC2)C1 AT10551 [0,0,0,2,0,0|2,0,0]=4 299 B10R2.316 OC1CC2(CCNC2)C1 AT11710 [0,0,0,2,0,0|1,0,0]=3 300 B10R2.316 OC1CC2(CCOC2)C1 AT10553 [0,0,0,2,0,0|1,0,0]=3 301 B10R2.337 OC1CN(C2CCC2)C1 AT16928 [0,0,0,2,0,0|1,0,0]=3 302 B10R2.337 OC1CN(C2CNC2)C1 CS2721 [0,0,0,2,0,0|2,0,0]=4 303 B10R2.337 OC1CN(C2CNC2)C1 P13072 [0,0,0,2,0,0|2,0,0]=4 304 B10R2.337 OC1CN(C2COC2)C1 AT16929 [0,0,0,2,0,0|2,0,0]=4 305 B10R2.177 CC12CC(=O)CCC1C2 P13990 [0,0,0,2,0,0|0,0,2]=4 306 B10R2.49 BrCC[C@H]1C[C@@H]1C2CC2 E73302 [0,0,0,2,0,0|2,0,0]=4 307 B10R2.49 NCC[C@H]1C[C@@H]1C2CC2 E73274 [0,0,0,2,0,0|2,0,0]=4 308 B10R2.633 CC(=O)[C@H]1C[C@@H]1C2CC2 E73057 [0,0,0,2,0,0|0,0,2]=4 309 B10R2.633 O=C(O)[C@H]1C[C@@H]1C2CC2 E72919 [0,0,0,2,0,0|1,0,1]=4 310 B10R2.633 OB(O)C1CC1C2CC2 AT24618 [0,0,0,2,0,0|2,0,0]=4