0 B6R0.1 CCOC(C)CN 4089019 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CNCC(C)OC 4089097 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 NCCC(O)CO 4051484 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 COCCNN 4050590 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.2 COCCNN 4089703 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.2 NNCCCO 4090002 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.3 C=CC(O)CN 4055871 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.3 CCC(C)NC 4039876 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.3 CCC(C)NC 4089297 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.3 COC(C)CN 4089925 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.3 CO[C@@H](C)C#N 4030194 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.3 CO[C@@H](C)CO 4031352 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.3 CCCOC(C)CN 4089733 [0,1,0,0,0,0|1,0,1]=3 13 B7R0.3 CCN(C)CCNC 4027628 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.5 CNCC(C)C(=O)O 4088272 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.7 CCCC(C)NCC 4090739 [0,1,0,0,0,0|1,0,1]=3 16 B7R0.11 COCC(C)(C)CN 4090889 [0,1,0,0,0,0|2,0,1]=4 17 B7R1.1 CNC1CCOC1 4003583 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.1 COC1CCNC1 4089940 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.1 CO[C@@H]1CCNC1 4098907 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.1 CO[C@H]1CCNC1 4093842 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.1 OC[C@@H]1CCNC1 4098010 [0,0,0,1,0,0|1,0,2]=4 22 B7R1.3 CC1CNCCO1 4090031 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.3 CC1COCCN1 4037925 [0,0,0,1,0,0|1,0,2]=4 24 B7R1.3 C[C@@H]1CNCCO1 4037141 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.3 NC1C=CCCC1 4075151 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.3 N[C@@H]1CCCOC1 4095390 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.3 N[C@H]1CCCOC1 4105155 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.4 C[C@@H]1CNC[C@@H]1C 4034805 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.4 C[C@@H]1CNC[C@H]1C 4034801 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.4 NC1CCNC1=O 4019954 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.4 N[C@@H]1CCNC1=O 4101224 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.4 N[C@H]1CCNC1=O 4107612 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.6 CNCC1CCC1 4089393 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.10 COC1CC(N)C1 4035443 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.10 CO[C@H]1C[C@@H](N)C1 4048109 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.10 CO[C@H]1C[C@@H](O)C1 4069248 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.21 CCCC1(N)CC1 4090398 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.25 CC1(CO)CNC1 4074448 [0,0,0,1,0,0|1,0,2]=4 39 B4R0.2 CCCNN 4088315 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.2 CC(=O)CC(C)N 4022442 [1,1,0,0,0,0|0,0,1]=3 41 B6R0.2 CC(=O)CC(C)N 4089784 [1,1,0,0,0,0|0,0,1]=3 42 B6R0.3 CNC(C)C(C)C 4089636 [1,1,0,0,0,0|1,0,1]=4 43 B6R0.4 CNCCC(=O)O 4088781 [1,1,0,0,0,0|1,0,1]=4 44 B6R0.4 CNCCC(N)=O 4090391 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.5 CNCC(C)(C)C 4088888 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.5 COCC(C)(C)N 4088100 [1,1,0,0,0,0|1,0,1]=4 47 B6R0.6 C=CCNCCC 4088685 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.6 CCOCCNC 4089681 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.9 CCC(CN)OC 4090078 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.23 CC(CN(C)C)C(=O)O 4090277 [0,2,0,0,0,0|1,0,0]=3 51 B8R0.3 COC(=O)[C@@H](N)CSC 4090948 [0,2,0,0,0,0|2,0,0]=4 52 B6R1.2 NC1C=CCC1 4068828 [1,0,0,1,0,0|1,0,1]=4 53 B6R1.2 NC1CCSC1 4014976 [1,0,0,1,0,0|2,0,0]=4 54 B6R1.2 N[C@@H]1CCOC1 4107838 [1,0,0,1,0,0|2,0,0]=4 55 B6R1.2 OC1CCSC1 4030923 [1,0,0,1,0,0|1,0,1]=4 56 B6R1.3 CCNC1CC1 4026907 [1,0,0,1,0,0|1,0,1]=4 57 B6R1.5 N[C@H]1C[C@H](O)C1 4088455 [1,0,0,1,0,0|1,0,1]=4 58 B6R1.1 C1CCONC1 4089921 [1,0,0,1,0,0|1,0,1]=4 59 B6R1.6 NCC1CCC1 4090412 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.1 CN1CCC(CBr)C1 4090341 [0,1,0,1,0,0|1,0,1]=4 61 B8R1.4 CC1CNCC(=O)N1 4049339 [0,1,0,1,0,0|1,0,0]=3 62 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [0,1,0,1,0,0|1,0,0]=3 63 B8R1.2 CNC1CCSCC1 4090591 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.2 NCC1=CCCCC1 4089848 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.2 NCC1CCCCO1 4003524 [0,1,0,1,0,0|1,0,1]=4 66 B8R1.2 NCC1CCCOC1 4088037 [0,1,0,1,0,0|0,0,2]=4 67 B8R1.3 CC1CCC(N)CC1 3002871 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.3 C[C@H]1CC[C@@H](N)CC1 4095854 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.5 CC1CNCCC1O 4097511 [0,1,0,1,0,0|0,0,2]=4 70 B8R1.5 CN1CCNCC1=O 4090061 [0,1,0,1,0,0|1,0,0]=3 71 B8R1.5 NC1CCCNC1=O 4089547 [0,1,0,1,0,0|1,0,0]=3 72 B8R1.5 O=C1CCCNC1=O 4038506 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.22 CC1CNCCCO1 4041125 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.52 CC1(CN)CCCC1 4042897 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.52 CC1(CN)CCCO1 4018199 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.52 N#CC1(N)CCCC1 4090153 [0,1,0,1,0,0|1,0,1]=4 77 B8R1.7 CC(N)C1CCCC1 4090794 [0,1,0,1,0,0|1,0,1]=4 78 B8R1.23 O=C(O)C1CC(O)C1 4028966 [0,1,0,1,0,0|1,0,0]=3 79 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 4045921 [0,1,0,1,0,0|1,0,0]=3 80 B8R1.8 CCNC1CCCC1 4088683 [0,1,0,1,0,0|1,0,1]=4 81 B8R1.8 CNCC1CCCC1 4089391 [0,1,0,1,0,0|1,0,1]=4 82 B8R1.11 CC[C@H]1CCC[C@H]1N 4015651 [0,1,0,1,0,0|1,0,1]=4 83 B8R1.11 CN1CCCC1CCl 4090126 [0,1,0,1,0,0|1,0,1]=4 84 B8R1.11 CN1CCCC1CN 4090027 [0,1,0,1,0,0|1,0,1]=4 85 B8R1.11 CN1CCC[C@@H]1CN 4055531 [0,1,0,1,0,0|1,0,1]=4 86 B8R1.11 CN1CCC[C@H]1CN 4076302 [0,1,0,1,0,0|1,0,1]=4 87 B8R1.72 CC1(N)CCCCC1 4090363 [0,1,0,1,0,0|1,0,1]=4 88 B8R2.22 C1C[C@H]2CN[C@H]2C1 4042340 [0,0,0,2,0,0|1,0,1]=4 89 B8R2.2 C[C@]12CNC[C@H]1C2 4036068 [0,0,0,2,0,0|1,0,1]=4