0 B11R1.40 CNC(=O)CN1CCNCC1 4090520 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 CNC(C)CC1CCCCC1 3001688 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.17 C#CCNC1CCCCC1 4089160 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.17 CCCCN1CCNCC1 3002264 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.17 CCNCC1CCCCC1 4089799 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 CCNCC1CCCCO1 4091125 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.17 COCCC1CCCNC1 4090265 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 COCCC1CCNCC1 4089767 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 COCCC1CNCCO1 4018985 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 CSCCN1CCNCC1 4090298 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.18 CN(C)CC1CCNCC1 4089447 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.18 C[C@H](O)CN1CCNCC1 4076946 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.18 N=C(N)NC1CCCCC1 4089027 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.43 CN(C)C(=O)CC1CCNCC1 4089592 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.118 CCC(CC)CN1CCNCC1 3002076 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.18 CN1C(=O)C[C@@H]2CCNC[C@@H]21 4110816 [0,0,0,1,0,0|2,0,1]=4 16 B12R2.18 CN1C(=O)C[C@@H]2CNCC[C@@H]21 4110824 [0,0,0,1,0,0|2,0,1]=4 17 B12R2.24 CN1CC[C@@H]2NCCC[C@H]2C1 4067885 [0,0,0,1,0,0|3,0,0]=4 18 B12R2.2058 C1CC(CN2CCNCC2)C1 4015497 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.2918 CN1CCC2(CCCNC2)C1 4038747 [0,0,0,1,0,0|3,0,0]=4 20 B12R2.2918 NC1COC2(CCCCC2)C1 4090504 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.15 CNC(=O)C1CCCCN1 4088672 [0,0,0,0,1,0|2,0,1]=4 22 B10R1.15 CNC(=O)C1CCCNC1 4090914 [0,0,0,0,1,0|2,0,1]=4 23 B12R1.27 CNC(=O)CCC1CCCNC1 4088118 [0,0,0,0,0,1|2,0,1]=4 24 B12R1.27 NNC(=O)CCC1CCCCC1 3014985 [0,0,0,0,0,1|2,0,1]=4 25 B9R1.8 CCNC1CCOCC1 4032839 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.8 CNCC1CCCCC1 4088652 [2,0,0,0,0,0|0,0,0]=2 27 B9R1.8 CNCC1COCCO1 4087968 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.8 COCC1CCCCN1 4090582 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.8 COCC1CCCNC1 4091076 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.8 COCC1CCNCC1 4090236 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.8 NCCC1COCCO1 4016659 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.8 NCCN1CCCCC1 3020436 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.1 CNCCN1CCN(C)CC1 4015222 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.1 CSCCN1CCC(N)CC1 4090387 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.28 CCNCCN1CCCCC1 4088094 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.28 CNCCCN1CCCCC1 4004398 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.28 CNCCCN1CCOCC1 4087808 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.28 COCCOC1CCNCC1 4088028 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.91 CN(C)CCC1CCCNC1 4088185 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.91 CN(C)CCC1CCNCC1 4087989 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.928 CN(C)CC1(O)CCNCC1 4087917 [1,1,0,0,0,0|2,0,0]=4 42 B11R2.13 NCC1CC12CCCCC2 4002225 [1,0,0,1,0,0|2,0,0]=4 43 B11R2.239 C1CCN(C2CNC2)CC1 4091179 [1,0,0,1,0,0|1,0,0]=3 44 B11R2.239 C1CN(C2CNC2)CCO1 4088335 [1,0,0,1,0,0|2,0,0]=4 45 B11R2.1037 C1CCC2CCCC(C1)N2 4019325 [1,0,0,1,0,0|2,0,0]=4 46 B11R2.678 OC1CC2CCCC(C1)N2 4032015 [1,0,0,1,0,0|2,0,0]=4 47 B11R2.860 CN(C)C[C@@H]1[C@H]2CNC[C@H]21 4042480 [1,0,0,1,0,0|2,0,0]=4 48 B11R2.40 NC1(C2CCCCC2)CC1 4090524 [0,0,0,1,1,0|2,0,0]=4 49 B11R2.36 C[C@H]1CN2CCC[C@@H]2CN1 4084638 [0,0,0,1,1,0|1,0,0]=3 50 B11R2.36 C[C@H]1CN2CCC[C@H]2CN1 4080869 [0,0,0,1,1,0|1,0,0]=3 51 B13R2.15 O[C@@H]1CNC[C@H]1N2CCCCC2 4063322 [0,1,0,1,0,0|2,0,0]=4 52 B13R2.15 O[C@H]1CNC[C@@H]1N2CCCCC2 4089499 [0,1,0,1,0,0|2,0,0]=4 53 B13R2.64 C1CN[C@@H](CN2CCOCC2)C1 4078411 [0,1,0,1,0,0|2,0,0]=4 54 B13R2.64 C1CN[C@H](CN2CCOCC2)C1 4061555 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.12 CCCNC1CCCC1 4088182 [1,0,0,0,1,0|2,0,0]=4 56 B9R1.6 CC(C)C1CCNCC1 4089572 [1,0,0,0,1,0|1,0,0]=3 57 B9R1.6 CC(O)C1CCNCC1 4087900 [1,0,0,0,1,0|2,0,0]=4 58 B9R1.6 CN(C)C1CCCNC1 4090893 [1,0,0,0,1,0|2,0,0]=4 59 B11R1.742 CN(C)CC1CNCCOC1 4089143 [1,0,0,0,0,1|2,0,0]=4