0 B10R1.18 N=C(N)NC1CCCCC1 4089027 [0,0,0,1,0,0|3,0,0]=4 1 B10R1.18 NC(=O)CC1CNCCO1 4021651 [0,0,0,1,0,0|3,0,0]=4 2 B10R1.18 O=C(O)CC1CNCCO1 4089101 [0,0,0,1,0,0|2,0,0]=3 3 B10R1.18 O=C(O)CC1COCCO1 4016657 [0,0,0,1,0,0|2,0,0]=3 4 B10R1.18 O=C(O)CN1CCSCC1 3002547 [0,0,0,1,0,0|2,0,0]=3 5 B10R1.39 CCN1CCCC1C(=O)O 4034157 [0,0,0,1,0,0|1,0,0]=2 6 B10R1.39 CCN1CCC[C@@H]1C(=O)O 4063390 [0,0,0,1,0,0|1,0,0]=2 7 B10R1.61 CN1CCCCC1C(=O)O 4089496 [0,0,0,1,0,0|1,0,0]=2 8 B10R1.61 CN1CCNCC1C(=O)O 4089723 [0,0,0,1,0,0|2,0,0]=3 9 B10R1.61 CN1CCOCC1C(=O)O 4402104 [0,0,0,1,0,0|2,0,0]=3 10 B10R1.61 NC(=O)[C@@H]1CCCC[C@H]1N 4047092 [0,0,0,1,0,0|2,0,0]=3 11 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N 4031246 [0,0,0,1,0,0|2,0,0]=3 12 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N 4090440 [0,0,0,1,0,0|2,0,0]=3 13 B10R1.348 O=C(O)C1CCCCCN1 4140254 [0,0,0,1,0,0|1,0,0]=2 14 B9R1.5 N[C@@H]1CCCCC[C@@H]1O 4046958 [1,0,0,1,0,0|1,0,1]=4 15 B9R1.8 CNCC1CCCCC1 4088652 [1,0,0,1,0,0|2,0,0]=4 16 B9R1.15 CCC1NCCNC1=O 4091140 [1,0,0,1,0,0|2,0,0]=4 17 B9R1.15 CCN1CCNCC1=O 4088235 [1,0,0,1,0,0|2,0,0]=4 18 B9R1.15 CNC1CCCCC1O 4105003 [1,0,0,1,0,0|1,0,1]=4 19 B9R1.15 CN[C@@H]1CCCC[C@@H]1O 4050792 [1,0,0,1,0,0|1,0,1]=4 20 B9R1.33 NCCN1CCCC1=O 4088871 [1,0,0,1,0,0|2,0,0]=4 21 B9R1.89 CNC1CCCCCC1 4089903 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.6 O=C(O)C1CCSCN1 4088340 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.6 O=C(O)C1COCCO1 4016984 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.7 NCCC1CCC(=O)N1 4110733 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.7 O=C1CC[C@@H](CCO)N1 4046046 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.7 O=C1CC[C@H](CCO)N1 4054374 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.13 O=C(O)CC1=CCCC1 4042684 [1,0,0,1,0,0|0,0,2]=4 28 B9R1.13 O=C(O)CC1CCCN1 4090243 [1,0,0,1,0,0|1,0,0]=3 29 B9R1.41 CN1CCC[C@H]1C(=O)O 4090456 [1,0,0,1,0,0|1,0,0]=3 30 B9R1.41 CN1CSC[C@H]1C(=O)O 4088259 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.41 C[C@H]1OCC[C@H]1C(=O)O 4061662 [1,0,0,1,0,0|1,0,0]=3 32 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O 4003600 [1,0,0,1,0,0|0,0,0]=2 33 B11R1.172 O=C(O)CCCN1CCCC1 4091130 [0,1,0,1,0,0|0,0,0]=2 34 B11R1.53 CCN1CCCCC1C(=O)O 4088207 [0,1,0,1,0,0|0,0,0]=2 35 B11R1.86 CN1CCCCC1CC(=O)O 4014978 [0,1,0,1,0,0|0,0,0]=2 36 B11R1.91 NC(=O)CCC1CCNCC1 4089411 [0,1,0,1,0,0|1,0,0]=3 37 B11R1.91 O=C(O)CCC1CCCCN1 4088548 [0,1,0,1,0,0|0,0,0]=2 38 B11R1.91 O=C(O)CCC1CCCNC1 4089777 [0,1,0,1,0,0|0,0,0]=2 39 B11R1.91 O=C(O)CCC1CCNCC1 4090158 [0,1,0,1,0,0|0,0,0]=2 40 B11R1.91 O=C(O)CCN1CCOCC1 4089309 [0,1,0,1,0,0|1,0,0]=3 41 B11R1.193 C=CCN1CCCC1C(=O)O 4032336 [0,1,0,1,0,0|0,0,2]=4 42 B11R1.193 C=CCN1CCC[C@H]1C(=O)O 4089068 [0,1,0,1,0,0|0,0,2]=4 43 B11R1.20 CN1CCC(CC(=O)O)CC1 4087854 [0,1,0,1,0,0|1,0,0]=3 44 B11R1.20 NC(=O)CN1CCC(N)CC1 4088839 [0,1,0,1,0,0|2,0,0]=4 45 B11R1.20 NC1CCN(CC(=O)O)CC1 4089155 [0,1,0,1,0,0|1,0,0]=3 46 B11R1.266 CCN1CCCC(C(=O)O)C1 4090631 [0,1,0,1,0,0|1,0,0]=3 47 B11R1.40 COC(=O)CN1CCNCC1 4090906 [0,1,0,1,0,0|2,0,0]=4 48 B11R1.222 COC(=O)[C@@H]1NCCO[C@H]1C 4037949 [0,1,0,1,0,0|2,0,0]=4 49 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1O 4046401 [0,1,0,1,0,0|2,0,0]=4 50 B11R1.36 CC(C(=O)O)C1CCNCC1 4089641 [0,1,0,1,0,0|1,0,0]=3 51 B11R1.36 CC(C(=O)O)N1CCCCC1 4090458 [0,1,0,1,0,0|1,0,0]=3 52 B11R1.36 CC(C(=O)O)N1CCOCC1 4088945 [0,1,0,1,0,0|2,0,0]=4 53 B11R1.497 O=C1CCCCC(C(=O)O)N1 4038630 [0,1,0,1,0,0|1,0,1]=4 54 B11R1.167 CN1CC[C@@H](O)[C@H](C(=O)O)C1 4009741 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.178 CC(C)N1CCCC1C(=O)O 4082613 [0,1,0,1,0,0|1,0,0]=3 56 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O 4076375 [0,1,0,1,0,0|1,0,0]=3 57 B11R2.1 O=C1OC[C@@H]2CNCCN12 4096298 [0,0,0,2,0,0|2,0,0]=4 58 B11R2.10 O=C1C[C@@H]2CCNC[C@@H]2N1 4110831 [0,0,0,2,0,0|2,0,0]=4 59 B11R2.10 O=C1C[C@@H]2CNCC[C@@H]2N1 4110830 [0,0,0,2,0,0|2,0,0]=4 60 B11R2.10 O=C1N[C@@H]2CNCC[C@H]2O1 4110712 [0,0,0,2,0,0|2,0,0]=4 61 B11R2.10 O=C1N[C@H]2CNCC[C@H]2O1 4091318 [0,0,0,2,0,0|2,0,0]=4 62 B11R2.824 O=C(O)[C@@H]1[C@@H]2CC[C@H]1CN2 4042145 [0,0,0,2,0,0|1,0,0]=3 63 B11R2.845 O=C(O)[C@@H]1C[C@@H]2C=C[C@H]1C2 4101659 [0,0,0,2,0,0|0,0,2]=4