0 B11R1.40 CNC(=O)NC1CCNCC1 AT22991 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 CNC(=O)OC1CCNCC1 AT22998 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 COC(=O)C[C@H]1CCCNC1 AB9802 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 N[C@H](CO)CC1CCCCC1 C15270 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 N[C@H](CO)CC1CCCCC1 C72250 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.40 N[C@H](CO)CC1CCCCC1 C77724 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 CCCCC1CCNCC1 30336 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 CNCCC1CCCCC1 P10203 [1,0,0,0,0,0|0,0,0]=1 8 B10R1.17 CNCCN1CCCCC1 S11703 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.17 COCC[C@H]1CCCCN1 32735 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 OCCCC1CCNCC1 I11792 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.18 CC(C)C[C@H]1CNCCO1 F16046 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.18 CC(C)C[C@H]1COCCN1 77680 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.18 CC(C)OC1CCNCC1 F10506 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.18 CN(C)C[C@H]1CCCCN1 72858 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.18 CN(C)C[C@H]1CCCCN1 C77790 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.18 CN(C)C[C@H]1CCCCN1 D76620 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.18 CN(C)C[C@H]1CCCNC1 C77801 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.18 CN(C)C[C@H]1CNCCO1 A50780 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.18 CN(C)C[C@H]1CNCCO1 A50781 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.18 CN(C)C[C@H]1CNCCO1 C78051 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.18 CN(C)C[C@H]1CNCCO1 C78052 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.18 CN(C)C[C@H]1COCCN1 A50777 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.18 C[C@H](N)CC1CCCCC1 N13140 [1,0,0,0,0,0|0,0,0]=1 24 B10R1.18 C[C@H](N)CN1CCOCC1 58037 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.18 NC(=O)CC1CCNCC1 AC9776 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.18 NC(=O)CC1CCOCC1 C14576 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.34 COC(=O)[C@@H](Br)C1CCCCC1 C78328 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.34 COC(=O)[C@@H](C)C1CCCCC1 F14171 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.43 CC(=O)N(C)CC1CCNCC1 P15178 [0,1,0,0,0,0|3,0,0]=4 30 B12R1.43 C[C@H](OC1CCCCC1)C(=O)O 78379 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 AT24789 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.49 COC(=O)CC1CCC(N)CC1 AT26681 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.118 CCC(CC)CN1CCNCC1 D76623 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.3524 COC(=O)CC1(N)CCCCC1 63918 [0,1,0,0,0,0|2,0,1]=4 35 B10R0.74 CCCCCCC[C@H](O)CO T72466 [0,0,1,0,0,0|3,0,0]=4 36 B12R2.32 CCN1CC2CCCNC2C1 AC2997 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.15 CC[C@@H](C)[C@@H]1COCCN1 77682 [0,0,0,0,1,0|3,0,0]=4 38 B10R1.15 CC[C@@H](C)[C@@H]1COCCN1 77683 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.15 CC[C@H](C)N1CCNCC1 D76625 [0,0,0,0,1,0|3,0,0]=4 40 B10R1.15 CC[C@H](N)C1CCOCC1 53163 [0,0,0,0,1,0|3,0,0]=4 41 B10R1.15 CC[C@H](O)C1CCOCC1 AC9165 [0,0,0,0,1,0|3,0,0]=4 42 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C77819 [0,0,0,0,1,0|2,0,1]=4 43 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78037 [0,0,0,0,1,0|2,0,1]=4 44 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78113 [0,0,0,0,1,0|2,0,1]=4 45 B10R1.15 CNC(=O)[C@H]1CCCNC1 AC6269 [0,0,0,0,1,0|2,0,1]=4 46 B10R1.15 N=C(NO)C1CCCCC1 91925 [0,0,0,0,1,0|2,0,1]=4 47 B10R1.15 N[C@@H](CO)C1CCCCC1 N11205 [0,0,0,0,1,0|3,0,0]=4 48 B10R1.27 CN[C@@H](C)CC1CCCC1 D84278 [0,0,0,0,1,0|0,0,0]=1 49 B12R1.27 CNC(=O)COC1CCNCC1 77455 [0,0,0,0,0,1|2,0,1]=4 50 B9R0.18 CCCCC(C)CCCC T71863 [1,0,1,0,0,0|1,0,0]=3 51 B9R0.34 CCCC(C)CC(C)CC T70352 [1,0,1,0,0,0|1,0,0]=3 52 B9R0.46 CCCCCC[C@@H](C)CC T72672 [1,0,1,0,0,0|1,0,0]=3 53 B9R0.46 CC[C@H](C)CCCCCO T71591 [1,0,1,0,0,0|2,0,0]=4 54 B9R0.2 CC(C)CCCCCCO D98911 [1,0,1,0,0,0|1,0,0]=3 55 B9R0.45 C=CCCCCCCCC T73018 [1,0,1,0,0,0|1,0,1]=4 56 B9R0.45 CC#CCCCCCCC H11435 [1,0,1,0,0,0|1,0,1]=4 57 B9R0.45 C\C=C/CCCCCCC T70533 [1,0,1,0,0,0|1,0,1]=4 58 B9R1.8 CCCC1CCNCC1 C75224 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.8 CCC[C@H]1CCCCN1 F16887 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.8 CCNC1CCNCC1 AC8313 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.8 CNCC1CCCCC1 P19116 [2,0,0,0,0,0|0,0,0]=2 62 B9R1.8 CNCC1CCOCC1 71672 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.8 CNC[C@H]1CCCCO1 F16332 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.8 COC[C@H]1CCCCN1 31181 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.8 COC[C@H]1CCCCN1 Y11003 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.8 COC[C@H]1CCCNC1 C78400 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.8 NCCC1CCNCC1 65278 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.8 NCC[C@H]1CCCCN1 D76613 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.8 NCC[C@H]1CCCNC1 D76642 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.8 NCC[C@H]1CCCOC1 AT23688 [2,0,0,0,0,0|1,0,0]=3 72 B9R1.8 NCC[C@H]1CCCOC1 AT23689 [2,0,0,0,0,0|1,0,0]=3 73 B9R1.8 NCC[C@H]1COCCN1 A50776 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.8 NCC[C@H]1COCCN1 C77968 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.8 NNCC1CCCCC1 P11239 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.8 OCC[C@H]1CCCOC1 AT23679 [2,0,0,0,0,0|2,0,0]=4 77 B11R1.1 CNCCC1CCN(C)CC1 AC8437 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.1 CNCCN1CCC(O)CC1 W15204 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.1 COCCN1CCC(N)CC1 95354 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.91 CC(C)CNC1CCCCC1 93651 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.509 CC(C)(C)CN1CCNCC1 D76624 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.22 CC[C@H](C)C1CCC(N)CC1 T70675 [0,1,0,0,1,0|1,0,0]=3 83 B11R1.22 CNC(=O)[C@H]1CC[C@H](N)CC1 D96644 [0,1,0,0,1,0|1,0,1]=4 84 B11R2.1 CN1CCC2CNCCC21 P14979 [1,0,0,1,0,0|1,0,0]=3 85 B11R2.20 C1CCN2CCNC[C@@H]2C1 E72310 [1,0,0,1,0,0|1,0,0]=3 86 B11R2.20 C1CCN2CCNC[C@@H]2C1 W12468 [1,0,0,1,0,0|1,0,0]=3 87 B11R2.20 C1CC[C@H]2CNCC[C@H]2C1 CS1860 [1,0,0,1,0,0|0,0,0]=2 88 B11R2.20 C1CN2CCOC[C@@H]2CN1 27873 [1,0,0,1,0,0|2,0,0]=4 89 B11R2.20 C1CN2CCOC[C@@H]2CN1 89518 [1,0,0,1,0,0|2,0,0]=4 90 B11R2.20 C1CN2CCOC[C@@H]2CN1 W19631 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.20 C1CO[C@H]2CCNC[C@@H]2C1 W13307 [1,0,0,1,0,0|1,0,0]=3 92 B11R2.164 CN[C@H]1CN2CCC1CC2 D75309 [1,0,0,1,0,0|1,0,0]=3 93 B11R2.239 C1CC(C2CNC2)CCO1 D96992 [1,0,0,1,0,0|1,0,0]=3 94 B11R2.239 C1CN(C2CNC2)CCN1 E10003 [1,0,0,1,0,0|2,0,0]=4 95 B11R2.239 C1CN(C2CNC2)CCS1 AT25290 [1,0,0,1,0,0|2,0,0]=4 96 B11R2.1261 C1CCC2(CC1)CCCN2 F53116 [1,0,0,1,0,0|2,0,0]=4 97 B11R2.1261 C1CCC2(CCCC2)NC1 S11526 [1,0,0,1,0,0|2,0,0]=4 98 B11R2.1261 C1CNC[C@@]2(C1)CCOC2 70888 [1,0,0,1,0,0|2,0,0]=4 99 B11R2.1261 C1COC[C@@]2(C1)CCNC2 W13912 [1,0,0,1,0,0|1,0,0]=3 100 B11R2.10 NC1CC2CCCCN2C1 F53433 [1,0,0,1,0,0|1,0,0]=3 101 B11R2.10 O=C1C[C@@H]2CCCC[C@@H]2N1 AT25973 [1,0,0,1,0,0|1,0,1]=4 102 B11R2.508 C[C@]1(N)CN2CCC1CC2 S11200 [1,0,0,1,0,0|1,0,0]=3 103 B11R2.678 NC1CC2CCCC(C1)C2 94778 [1,0,0,1,0,0|0,0,0]=2 104 B11R2.703 OC1CC2(CCNCC2)C1 W14095 [1,0,0,1,0,0|2,0,0]=4 105 B11R2.40 NC1(C2CCCCC2)CC1 94852 [0,0,0,1,1,0|2,0,0]=4 106 B11R2.16 CO[C@@H]1C[C@@H]2CC[C@H](C1)N2 P12143 [0,0,0,1,1,0|2,0,0]=4 107 B11R2.36 CC1CN2CCCC2CN1 D72843 [0,0,0,1,1,0|1,0,0]=3 108 B11R2.36 C[C@H]1CN2CCC[C@@H]2CN1 AT17565 [0,0,0,1,1,0|1,0,0]=3 109 B11R2.36 C[C@H]1CN2CCC[C@H]2CN1 AT17567 [0,0,0,1,1,0|1,0,0]=3 110 B13R2.64 C1CCN(C[C@H]2CCCN2)CC1 C77809 [0,1,0,1,0,0|1,0,0]=3 111 B13R2.64 C1CN[C@@H](CN2CCOCC2)C1 C78270 [0,1,0,1,0,0|2,0,0]=4 112 B13R2.64 C1CN[C@@H](CN2CCOCC2)C1 C78586 [0,1,0,1,0,0|2,0,0]=4 113 B13R2.11128 N[C@H]1CCOC2(CCCCC2)C1 88248 [0,1,0,1,0,0|2,0,0]=4 114 B13R2.11128 O[C@H]1CCOC2(CCCCC2)C1 88246 [0,1,0,1,0,0|2,0,0]=4 115 B13R2.433 O=C(O)[C@@H]1C[C@H]2CCC[C@H](C2)C1 AT21525 [0,1,0,1,0,0|2,0,0]=4 116 B13R2.11462 CC1(C)CC2(CCNCC2)CO1 F12430 [0,1,0,1,0,0|2,0,0]=4 117 B13R2.1759 CN[C@@H]1C[C@@H]2CCC[C@H](C1)N2C AC3294 [0,1,0,1,0,0|1,0,0]=3 118 B13R3.1921 C1NC2CC3CC1CC(C3)C2 C77668 [0,0,0,2,0,0|0,0,0]=2 119 B9R1.12 CCCC[C@H]1CCCN1 N12661 [1,0,0,0,1,0|2,0,0]=4 120 B9R1.12 CNCCC1CCCC1 P11107 [1,0,0,0,1,0|0,0,0]=2 121 B9R1.12 CNCC[C@H]1CCCO1 F20641 [1,0,0,0,1,0|1,0,0]=3 122 B9R1.12 NCCCC1CCCC1 F20043 [1,0,0,0,1,0|2,0,0]=4 123 B9R1.6 CC(C)[C@@H]1CNCCN1 20127 [1,0,0,0,1,0|2,0,0]=4 124 B9R1.6 CC(C)[C@@H]1CNCCN1 20129 [1,0,0,0,1,0|2,0,0]=4 125 B9R1.6 CC(C)[C@@H]1CNCCN1 AT22713 [1,0,0,0,1,0|2,0,0]=4 126 B9R1.6 CC(C)[C@@H]1CNCCN1 W18944 [1,0,0,0,1,0|2,0,0]=4 127 B9R1.6 CC(C)[C@@H]1CNCCO1 D75743 [1,0,0,0,1,0|2,0,0]=4 128 B9R1.6 CC(C)[C@@H]1CNCCO1 D75749 [1,0,0,0,1,0|2,0,0]=4 129 B9R1.6 CC(C)[C@@H]1CNCCS1 AT25277 [1,0,0,0,1,0|2,0,0]=4 130 B9R1.6 CC(C)[C@@H]1COCCN1 A50783 [1,0,0,0,1,0|2,0,0]=4 131 B9R1.6 CC(C)[C@@H]1COCCN1 F13098 [1,0,0,0,1,0|2,0,0]=4 132 B9R1.6 CC(C)[C@@H]1COCCN1 F19078 [1,0,0,0,1,0|2,0,0]=4 133 B9R1.6 CC(C)[C@H]1CCCNC1 F53728 [1,0,0,0,1,0|1,0,0]=3 134 B9R1.6 CN(C)C1CCOCC1 D77650 [1,0,0,0,1,0|2,0,0]=4 135 B9R1.6 CN(C)[C@H]1CCCNC1 D84000 [1,0,0,0,1,0|2,0,0]=4 136 B9R1.6 CN(C)[C@H]1CCCNC1 Y10739 [1,0,0,0,1,0|2,0,0]=4 137 B9R1.6 C[C@H](Br)C1CCCCC1 O10008 [1,0,0,0,1,0|1,0,0]=3 138 B9R1.6 C[C@H](N)C1CCCCC1 79907 [1,0,0,0,1,0|0,0,0]=2 139 B9R1.6 C[C@H](N)C1CCCCC1 79908 [1,0,0,0,1,0|0,0,0]=2 140 B9R1.6 C[C@H](N)C1CCCCO1 79891 [1,0,0,0,1,0|1,0,0]=3 141 B9R1.6 C[C@H](N)C1CCCOC1 79879 [1,0,0,0,1,0|1,0,0]=3 142 B9R1.6 C[C@H](N)C1CCCOC1 79880 [1,0,0,0,1,0|1,0,0]=3 143 B9R1.6 C[C@H](N)C1CCCOC1 79881 [1,0,0,0,1,0|1,0,0]=3 144 B9R1.6 C[C@H](N)C1CCCOC1 79882 [1,0,0,0,1,0|1,0,0]=3 145 B9R1.6 C[C@H](N)C1CCOCC1 AT13557 [1,0,0,0,1,0|1,0,0]=3 146 B9R1.6 C[C@H](N)C1CCOCC1 D77651 [1,0,0,0,1,0|1,0,0]=3 147 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [1,0,0,0,1,0|1,0,0]=3 148 B9R1.13 CC(=O)CC1CCCC1 N12760 [1,0,0,0,1,0|1,0,1]=4 149 B9R1.13 CC(C)N[C@H]1CCOC1 P12314 [1,0,0,0,1,0|2,0,0]=4 150 B9R1.13 CC(C)O[C@H]1CCNC1 F13097 [1,0,0,0,1,0|2,0,0]=4 151 B9R1.13 CN(C)C[C@H]1CCCN1 H11176 [1,0,0,0,1,0|2,0,0]=4 152 B9R1.13 CN(C)C[C@H]1CCNC1 33410 [1,0,0,0,1,0|2,0,0]=4 153 B9R1.13 C[C@H](N)CC1CCCC1 N12947 [1,0,0,0,1,0|0,0,0]=2 154 B9R1.13 C[C@H](O)CN1CCCC1 AT24864 [1,0,0,0,1,0|2,0,0]=4 155 B9R1.13 C[C@H](O)CN1CCCC1 AT24866 [1,0,0,0,1,0|2,0,0]=4 156 B9R1.11 CCC(C)C1CCNC1 D72006 [0,0,0,0,2,0|2,0,0]=4 157 B9R1.11 CC[C@H](N)C1CCCC1 N12792 [0,0,0,0,2,0|2,0,0]=4 158 B9R1.11 CC[C@H](N)C1CCCC1 N14676 [0,0,0,0,2,0|2,0,0]=4 159 B9R1.11 CC[C@H](N)C1CCCC1 N14677 [0,0,0,0,2,0|2,0,0]=4