0 B7R1.2 CN1CC[C@@H](N)C1 4093148 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 NC1CCC(O)C1 4094627 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.2 N[C@@H]1CC[C@H](O)C1 4089591 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 NC1C=CCC1 4068828 [1,0,0,0,0,0|2,0,0]=3 4 B6R1.2 NC1CCSC1 4014976 [1,0,0,0,0,0|3,0,0]=4 5 B6R1.2 N[C@@H]1CCOC1 4107838 [1,0,0,0,0,0|3,0,0]=4 6 B6R1.2 OC1CCSC1 4030923 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.1 CCC1CCC(=O)N1 4027451 [0,1,0,0,0,0|1,0,0]=2 8 B8R1.1 CCC1CNC(=O)C1 4026756 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.1 CN1CCC(CBr)C1 4090341 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.1 NCC1CCC(=O)N1 4111537 [0,1,0,0,0,0|1,0,0]=2 11 B8R1.1 O=C1CCC(CCl)O1 4035082 [0,1,0,0,0,0|0,0,0]=1 12 B8R1.51 CC1CCC(C)(C)N1 4045271 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.51 NC1CCS(=O)(=O)C1 4087954 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.1 CCOC(C)CN 4089019 [0,0,1,0,0,0|2,0,1]=4 15 B6R0.2 CC(=O)CC(C)N 4022442 [0,0,1,0,0,0|2,0,0]=3 16 B6R0.2 CC(=O)CC(C)N 4089784 [0,0,1,0,0,0|2,0,0]=3 17 B6R0.2 CC(C)CC(=N)N 4089840 [0,0,1,0,0,0|3,0,0]=4 18 B6R0.4 CCCCC(=N)N 4090419 [0,0,1,0,0,0|2,0,0]=3 19 B6R0.4 CNCCC(=O)O 4088781 [0,0,1,0,0,0|1,0,0]=2 20 B6R0.4 CNCCC(N)=O 4090391 [0,0,1,0,0,0|2,0,0]=3 21 B8R2.34 C12CCC(CC1)N2 4097327 [0,0,0,1,0,0|2,0,1]=4 22 B6R1.4 N[C@H]1CC[C@@H]1O 4071120 [0,0,0,0,1,0|1,0,2]=4 23 B6R1.4 N[C@H]1CC[C@H]1O 4068939 [0,0,0,0,1,0|1,0,2]=4 24 B8R1.3 CC1CCC(N)CC1 3002871 [0,0,0,0,0,1|2,0,1]=4 25 B8R1.3 CC1CNC(=O)CN1 4045852 [0,0,0,0,0,1|2,0,0]=3 26 B8R1.3 C[C@@H]1CNC(=O)CN1 4090663 [0,0,0,0,0,1|2,0,0]=3 27 B8R1.3 C[C@H]1CC[C@@H](N)CC1 4095854 [0,0,0,0,0,1|2,0,1]=4 28 B8R1.3 C[C@H]1CNC(=O)CN1 4089619 [0,0,0,0,0,1|2,0,0]=3 29 B8R1.3 N[C@H]1CCC(=O)NC1 4097106 [0,0,0,0,0,1|2,0,0]=3 30 B8R1.4 CC1CNCC(=O)N1 4049339 [0,0,0,0,0,1|1,0,0]=2 31 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [0,0,0,0,0,1|1,0,0]=2 32 B8R1.4 O=C1CNCC(=O)N1 4090724 [0,0,0,0,0,1|2,0,1]=4 33 B5R0.2 NNCCCO 4090002 [1,0,1,0,0,0|2,0,0]=4 34 B5R0.3 C=C(CC)CN 4074283 [1,0,1,0,0,0|2,0,0]=4 35 B5R0.3 CCC(C)NC 4039876 [1,0,1,0,0,0|1,0,1]=4 36 B5R0.3 CCC(C)NC 4089297 [1,0,1,0,0,0|1,0,1]=4 37 B5R0.3 CNC(=O)CN 4089909 [1,0,1,0,0,0|2,0,0]=4 38 B5R0.3 COC(C)CN 4089925 [1,0,1,0,0,0|1,0,1]=4 39 B5R0.3 CO[C@@H](C)CO 4031352 [1,0,1,0,0,0|1,0,1]=4 40 B5R1.1 C1CNOC1 4089053 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.2 CNC(C)CC(=O)O 4090195 [0,1,1,0,0,0|2,0,0]=4 42 B7R0.3 CCC(=O)NCCN 4028425 [0,1,1,0,0,0|1,0,0]=3 43 B7R0.3 CNC(=O)CCCN 4089383 [0,1,1,0,0,0|2,0,0]=4 44 B7R0.3 CNCCC(=O)NC 4088709 [0,1,1,0,0,0|2,0,0]=4 45 B7R0.10 CCC(N)C(=O)NC 4090715 [0,1,1,0,0,0|2,0,0]=4 46 B7R1.1 CCC1C=CCN1 4090190 [1,1,0,0,0,0|2,0,0]=4 47 B7R1.1 CNC1CCOC1 4003583 [1,1,0,0,0,0|2,0,0]=4 48 B7R1.1 COC1CCNC1 4089940 [1,1,0,0,0,0|2,0,0]=4 49 B7R1.1 CO[C@@H]1CCNC1 4098907 [1,1,0,0,0,0|2,0,0]=4 50 B7R1.1 CO[C@H]1CCNC1 4093842 [1,1,0,0,0,0|2,0,0]=4 51 B7R1.1 OC[C@@H]1CCNC1 4098010 [1,1,0,0,0,0|2,0,0]=4 52 B7R1.4 C[C@@H]1CNC[C@@H]1C 4034805 [1,1,0,0,0,0|2,0,0]=4 53 B7R1.4 C[C@@H]1CNC[C@H]1C 4034801 [1,1,0,0,0,0|2,0,0]=4 54 B7R1.4 NC1CCNC1=O 4019954 [1,1,0,0,0,0|1,0,0]=3 55 B7R1.4 N[C@@H]1CCNC1=O 4101224 [1,1,0,0,0,0|1,0,0]=3 56 B7R1.4 N[C@H]1CCNC1=O 4107612 [1,1,0,0,0,0|1,0,0]=3 57 B7R1.14 CC1(N)CCCC1 4088523 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.69 CN1CC(N)CCC1=O 4016162 [0,1,0,0,0,1|2,0,0]=4 59 B9R1.69 CN1CC(N)CCC1=O 4087873 [0,1,0,0,0,1|2,0,0]=4 60 B9R1.69 CN1CC(O)CCC1=O 4079526 [0,1,0,0,0,1|2,0,0]=4 61 B9R1.2 C[C@@H]1CNC[C@@H](CO)O1 4042486 [0,1,0,0,0,1|0,0,2]=4 62 B9R1.2 C[C@H]1CNC[C@@H](CO)O1 4042449 [0,1,0,0,0,1|0,0,2]=4 63 B9R1.66 CC1(C)CCNC(=O)C1 4036163 [0,1,0,0,0,1|1,0,0]=3 64 B9R1.7 N#CCC1CCC(=O)N1 4108168 [0,2,0,0,0,0|1,0,0]=3 65 B9R1.7 N#CC[C@@H]1CCC(=O)N1 4046620 [0,2,0,0,0,0|1,0,0]=3 66 B9R1.7 NCCC1CCC(=O)N1 4110733 [0,2,0,0,0,0|1,0,0]=3 67 B9R1.7 O=C1CC[C@@H](CCO)N1 4046046 [0,2,0,0,0,0|1,0,0]=3 68 B9R1.7 O=C1CC[C@H](CCO)N1 4054374 [0,2,0,0,0,0|1,0,0]=3 69 B9R1.23 CN1CC(CN)CC1=O 4091208 [0,2,0,0,0,0|2,0,0]=4 70 B9R1.132 CN1C(=O)CCC1CN 4088603 [0,2,0,0,0,0|1,0,0]=3 71 B9R1.132 CN1C(=O)CCC1CN 4111538 [0,2,0,0,0,0|1,0,0]=3 72 B9R1.133 CNC1CCS(=O)(=O)C1 4088076 [0,2,0,0,0,0|2,0,0]=4 73 B9R1.133 NCC1CCS(=O)(=O)C1 4089023 [0,2,0,0,0,0|2,0,0]=4 74 B9R1.146 CC1(N)CCS(=O)(=O)C1 4089211 [0,2,0,0,0,0|2,0,0]=4 75 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 4082172 [0,0,0,1,0,1|1,0,0]=3 76 B5R1.4 C[C@@H]1C[C@H]1N 4110616 [0,0,0,0,2,0|1,0,1]=4 77 B9R1.49 CC1CNC(=O)CCN1 4089332 [0,0,0,0,0,2|1,0,0]=3 78 B9R1.49 NC1CCNC(=O)CC1 4020296 [0,0,0,0,0,2|2,0,0]=4