0 B11R1.40 CC(C#N)CN1CCOCC1 SBB046526 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.40 CCC(N)CN1CCCCC1 SBB017940 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 CCC(O)CN1CCOCC1 SBB061153 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.40 CNC(C)CC1CCCCC1 SBB050337 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.40 COC(=O)CC1CCNCC1 SBB018691 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 C\C(CN1CCCCC1)=N/O SBB020250 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.40 NC(CO)CC1CCCCC1 SBB057172 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.40 NNC(=O)CC1CCNCC1 SBB046472 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.40 NNC(=O)CN1CCCCC1 SBB072021 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.40 NNC(=O)NC1CCCCC1 SBB072937 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.40 NNC(=S)NC1CCCCC1 SBB017690 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 C#CCNC1CCCCC1 SBB010271 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.17 CCCCN1CCCCC1 SBB061043 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 CCCCN1CCNCC1 SBB005884 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 CCCCN1CCOCC1 SBB061034 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 CCCOC1CCNCC1 SBB027294 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 COCCN1CCNCC1 SBB017920 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 ClCCCN1CCCCC1 SBB056101 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 N#CCCN1CCCCC1 SBB030489 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 N(CC=C)C1CCCCC1 SBB004174 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.17 NCCCN1CCCCC1 SBB010073 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 OCCCC1CCCCC1 SBB058808 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.17 OCCCN1CCCCC1 SBB072687 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 OCCNC1CCCCC1 SBB007725 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.18 CC(=O)CN1CCCCC1 SBB046418 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.18 CC(=O)NC1CCCCC1 SBB058211 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.18 CC(=O)OC1CCCCC1 SBB060309 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.18 CC(C)CN1CCNCC1 SBB046806 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.18 CC(C)NC1CCCCC1 SBB048030 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.18 CC(N)CN1CCCCC1 SBB020278 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.18 CC(N)CN1CCOCC1 SBB017919 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.18 CC(O)CN1CCCCC1 SBB056526 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.18 CC(O)CN1CCOCC1 SBB056514 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.18 CN(C)CC1CCCNC1 SBB085432 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.18 NC(=O)NC1CCCCC1 SBB028268 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.18 NC(=S)NC1CCCCC1 SBB017662 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.18 O=C(O)CC1CCCCC1 SBB058720 [1,0,0,0,0,0|2,0,1]=4 37 B12R1.32 CNCC(O)CN1CCOCC1 SBB002801 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O SBB068690 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O SBB065823 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.118 CCC(CC)CN1CCNCC1 SBB046797 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.118 CCN(CC)CC1CCCNC1 SBB010518 [0,1,0,0,0,0|3,0,0]=4 42 B10R0.74 CCCCCCCC(=O)NN SBB056838 [0,0,1,0,0,0|2,0,1]=4 43 B10R0.74 CCCCCCCC(=O)OC SBB060592 [0,0,1,0,0,0|2,0,1]=4 44 B10R0.74 CCCCCCCC(C)C=O SBB061221 [0,0,1,0,0,0|2,0,0]=3 45 B12R2.2918 CC1COC2(CCCCC2)O1 SBB060949 [0,0,0,1,0,0|3,0,0]=4 46 B12R2.2918 O=C1CC2(CCCCC2)CN1 SBB051418 [0,0,0,1,0,0|1,0,1]=3 47 B10R1.15 CC(CN)N1CCCCC1 SBB027443 [0,0,0,0,1,0|3,0,0]=4 48 B10R1.15 CCC(C)C1CCCCC1 SBB061319 [0,0,0,0,1,0|1,0,0]=2 49 B10R1.15 CCC(C)N1CCNCC1 SBB007161 [0,0,0,0,1,0|3,0,0]=4 50 B10R1.15 CNC(=O)C1CCNCC1 SBB056097 [0,0,0,0,1,0|2,0,1]=4 51 B10R1.15 CNC(=S)N1CCCCC1 SBB003988 [0,0,0,0,1,0|2,0,1]=4 52 B10R1.15 COC(=O)C1CCCCC1 SBB008423 [0,0,0,0,1,0|2,0,1]=4 53 B10R1.15 NNC(=O)C1CCCCC1 SBB000089 [0,0,0,0,1,0|2,0,1]=4 54 B10R1.27 CC(CO)CN1CCCC1 SBB046540 [0,0,0,0,1,0|3,0,0]=4 55 B10R1.27 CCC(O)CN1CCCC1 SBB061152 [0,0,0,0,1,0|3,0,0]=4 56 B12R1.27 NCC(O)COC1CCCCC1 SBB042048 [0,0,0,0,0,1|3,0,0]=4 57 B12R1.1748 CC(CN)CN1CCCCCC1 SBB301881 [0,0,0,0,0,1|3,0,0]=4 58 B9R0.18 CCCCN(C)CCCC SBB061560 [1,0,1,0,0,0|2,0,0]=4 59 B9R0.2 CCCCCCCC(C)=O SBB061540 [1,0,1,0,0,0|1,0,1]=4 60 B9R0.2 CCCCCCCC(C)O SBB008521 [1,0,1,0,0,0|1,0,0]=3 61 B9R0.2 CCCCCCCC(N)=O SBB061055 [1,0,1,0,0,0|1,0,1]=4 62 B9R0.2 CCCCCCCN(C)C SBB061364 [1,0,1,0,0,0|1,0,0]=3 63 B9R0.45 C#CCCCCCCCC SBB008883 [1,0,1,0,0,0|1,0,1]=4 64 B9R0.45 C=CCCCCCCCC SBB058674 [1,0,1,0,0,0|1,0,1]=4 65 B9R0.45 CCCCCCCCC=O SBB059872 [1,0,1,0,0,0|2,0,0]=4 66 B9R0.45 CCCCCCCCCBr SBB059939 [1,0,1,0,0,0|2,0,0]=4 67 B9R0.45 CCCCCCCCCCl SBB059956 [1,0,1,0,0,0|2,0,0]=4 68 B9R0.45 CCCCCCCCCN SBB059987 [1,0,1,0,0,0|2,0,0]=4 69 B9R0.45 CCCCCCCCCO SBB059907 [1,0,1,0,0,0|2,0,0]=4 70 B9R0.45 CCCCCCCCOC SBB061156 [1,0,1,0,0,0|1,0,0]=3 71 B9R0.45 CCCCCNCCCC SBB059765 [1,0,1,0,0,0|2,0,0]=4 72 B9R0.45 [NH2+](CCCC)CCCCC SBB061636 [1,0,1,0,0,0|2,0,0]=4 73 B9R1.8 BrCCC1CCCCN1 SBB018737 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.8 CCCC1CCCCN1 SBB017578 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.8 CCCC1CCCCN1 SBB050937 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.8 CCCC1OCCCO1 SBB060994 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.8 CCCN1CCCCC1 SBB061042 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.8 CCCN1CCNCC1 SBB056132 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.8 CCCN1CCOCC1 SBB061033 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.8 CCOC1CCNCC1 SBB027269 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.8 CCOC1CCNCC1 SBB080379 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.8 CNCC1COCCO1 SBB002649 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.8 COCC1CCCNC1 SBB050890 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.8 ClCCN1CCCCC1 SBB056102 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.8 N1CCN(CCC)CC1 SBB005871 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.8 NCCC1=CCCCC1 SBB058805 [2,0,0,0,0,0|0,0,2]=4 87 B9R1.8 NCCC1CCCCC1 SBB051424 [2,0,0,0,0,0|0,0,0]=2 88 B9R1.8 NCCC1CCCCO1 SBB072556 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.8 NCCC1CCCOC1 SBB050548 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.8 NCCN1CCCCC1 SBB058602 [2,0,0,0,0,0|1,0,0]=3 91 B9R1.8 NCCN1CCNCC1 SBB004229 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.8 NCCN1CCOCC1 SBB028239 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.8 OCCC1CCCCN1 SBB027305 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.8 OCCC1CCNCC1 SBB027320 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.8 OCCN1CCCCC1 SBB040888 [2,0,0,0,0,0|2,0,0]=4 96 B11R0.42 CCCCCCCC(=O)N(C)C SBB007989 [0,1,1,0,0,0|1,0,1]=4 97 B11R1.1 CCCCC1CCC(=O)CC1 SBB059680 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.1 [C@H]1(N)CC[C@@H](CCCC)CC1 SBB059718 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.1 [C@H]1(O)CC[C@H](CCCC)CC1 SBB059708 [1,1,0,0,0,0|1,0,0]=3 100 B11R1.16 CCCC(O)C1CCCCC1 SBB071419 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.24 CCCNC1CCCC(C)C1 SBB080101 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.28 CC#CCNC1CCCCC1 SBB300109 [1,1,0,0,0,0|1,0,1]=4 103 B11R1.28 CCCCNC1CCCCC1 SBB059770 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.28 CCCOCC1CCNCC1 SBB080533 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.28 CNCCCN1CCOCC1 SBB046581 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.28 N#CCCNC1CCCCC1 SBB017653 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.28 NCCCCN1CCCCC1 SBB017939 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.28 NCCCNC1CCCCC1 SBB028322 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.91 CN(C)CCC1CCCCN1 SBB016636 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.91 CN(C)CCC1CCNCC1 SBB010376 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.91 CN(C)CCN1CCNCC1 SBB010067 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.91 O=C(Cl)CCC1CCCCC1 SBB005478 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.20 CC(C)CN1CCC(N)CC1 SBB024585 [1,1,0,0,0,0|1,0,0]=3 114 B11R1.20 CC(N)CN1CCC(C)CC1 SBB020375 [1,1,0,0,0,0|1,0,0]=3 115 B11R1.36 CC(N)C(=O)N1CCCCC1 SBB002500 [1,1,0,0,0,0|1,0,1]=4 116 B11R1.86 CN(C)CC1CCCCC1=O SBB052510 [1,1,0,0,0,0|1,0,1]=4 117 B11R1.86 CN(C)CC1CCCCC1=O SBB062890 [1,1,0,0,0,0|1,0,1]=4 118 B11R1.509 CC(C)(N)CN1CCOCC1 SBB009721 [1,1,0,0,0,0|2,0,0]=4 119 B13R1.42 CNCC(O)COC1CCCCC1 SBB301776 [0,1,0,0,0,1|1,0,0]=3 120 B13R1.19 CNCC(O)CN1CCC(C)CC1 SBB002803 [0,2,0,0,0,0|2,0,0]=4 121 B11R2.20 C1CCC2CCCCC2C1 SBB060620 [1,0,0,1,0,0|1,0,0]=3 122 B11R2.20 N1CCCC2CCCCC21 SBB027319 [1,0,0,1,0,0|2,0,0]=4 123 B11R2.20 [C@H]12CCCC[C@H]1CNCC2 SBB056022 [1,0,0,1,0,0|0,0,0]=2 124 B11R2.239 C1CCN(C2CNC2)CC1 SBB056271 [1,0,0,1,0,0|1,0,0]=3 125 B11R2.40 NC1(C2CCCCC2)CC1 SBB072406 [0,0,0,1,1,0|2,0,0]=4 126 B13R2.57 CCC1CCC2CCCCC2C1 SBB061323 [0,0,0,1,0,1|1,0,0]=3 127 B13R2.64 C1CNC(CN2CCOCC2)C1 SBB026002 [0,1,0,1,0,0|2,0,0]=4 128 B13R2.11128 CC1CCOC2(CCCCC2)O1 SBB056719 [0,1,0,1,0,0|2,0,0]=4 129 B13R3.1921 C1NC2CC3CC1CC(C3)C2 SBB013443 [0,0,0,2,0,0|0,0,0]=2 130 B13R3.3861 C12CC3CC(C1)C(O)C(C2)C3 SBB058734 [0,0,0,2,0,0|2,0,0]=4 131 B13R3.3861 NC1C2CC3CC(C2)CC1C3 SBB002575 [0,0,0,2,0,0|2,0,0]=4 132 B13R3.3861 NC1C2CC3CC(C2)CC1C3 SBB116739 [0,0,0,2,0,0|2,0,0]=4 133 B13R3.3861 O=C1C2CC3CC(C2)CC1C3 SBB015156 [0,0,0,2,0,0|2,0,0]=4 134 B9R1.12 CCCCN1CCCC1 SBB061041 [1,0,0,0,1,0|2,0,0]=4 135 B9R1.12 CCCNC1CCCC1 SBB080044 [1,0,0,0,1,0|2,0,0]=4 136 B9R1.6 CC(C)C1CCCCC1 SBB061161 [1,0,0,0,1,0|0,0,0]=2 137 B9R1.6 CC(C)N1CCNCC1 SBB004236 [1,0,0,0,1,0|2,0,0]=4 138 B9R1.6 CN(C)C1CCCCC1 SBB060234 [1,0,0,0,1,0|1,0,0]=3 139 B9R1.6 CN(C)C1CCCCO1 SBB072697 [1,0,0,0,1,0|2,0,0]=4 140 B9R1.6 C[C@@H](N)C1CCCCC1 SBB028230 [1,0,0,0,1,0|0,0,0]=2 141 B9R1.6 NC(=O)C1CCCCC1 SBB008414 [1,0,0,0,1,0|1,0,1]=4 142 B9R1.13 CC(=O)CC1CCCC1 SBB008343 [1,0,0,0,1,0|1,0,1]=4 143 B9R1.13 CC(N)CN1CCCC1 SBB014676 [1,0,0,0,1,0|1,0,0]=3 144 B9R1.13 CC(O)CN1CCCC1 SBB056722 [1,0,0,0,1,0|2,0,0]=4 145 B11R1.742 CC(C)CN1CCCNCC1 SBB046514 [1,0,0,0,0,1|1,0,0]=3 146 B11R1.742 CC(O)CN1CCCCCC1 SBB056515 [1,0,0,0,0,1|2,0,0]=4