0 B5R0.1 COCC(=N)N 4091089 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.1 N=C(N)CF 4088189 [1,0,0,0,0,0|2,0,0]=3 2 B4R0.2 CCCNN 4088315 [1,0,0,0,0,0|1,0,0]=2 3 B6R0.1 CCOC(C)CN 4089019 [0,1,0,0,0,0|2,0,1]=4 4 B6R0.2 CC(=O)CC(C)N 4022442 [0,1,0,0,0,0|1,0,0]=2 5 B6R0.2 CC(=O)CC(C)N 4089784 [0,1,0,0,0,0|1,0,0]=2 6 B6R0.2 CC(C)CC(=N)N 4089840 [0,1,0,0,0,0|1,0,0]=2 7 B6R0.3 CN[C@@H](C)C(N)=O 4077652 [0,1,0,0,0,0|1,0,0]=2 8 B6R0.3 CN[C@H](C)C(N)=O 4076581 [0,1,0,0,0,0|1,0,0]=2 9 B6R0.4 CCCCC(=N)N 4090419 [0,1,0,0,0,0|1,0,0]=2 10 B6R0.4 CNCCC(=O)O 4088781 [0,1,0,0,0,0|1,0,0]=2 11 B6R0.4 CNCCC(N)=O 4090391 [0,1,0,0,0,0|0,0,0]=1 12 B6R0.5 COCC(C)(C)N 4088100 [0,1,0,0,0,0|2,0,1]=4 13 B6R1.2 NC1C=CCC1 4068828 [0,0,0,1,0,0|1,0,2]=4 14 B6R1.2 NC1CCSC1 4014976 [0,0,0,1,0,0|2,0,1]=4 15 B6R1.2 N[C@@H]1CCOC1 4107838 [0,0,0,1,0,0|2,0,1]=4 16 B6R1.5 N[C@H]1C[C@H](O)C1 4088455 [0,0,0,1,0,0|2,0,1]=4 17 B5R0.3 C=C(CC)CN 4074283 [1,1,0,0,0,0|1,0,0]=3 18 B5R0.3 CCC(C)NC 4039876 [1,1,0,0,0,0|1,0,1]=4 19 B5R0.3 CCC(C)NC 4089297 [1,1,0,0,0,0|1,0,1]=4 20 B5R0.3 CNC(=O)CN 4089909 [1,1,0,0,0,0|1,0,0]=3 21 B5R0.5 CC(O)C(=N)N 4089130 [1,1,0,0,0,0|1,0,0]=3 22 B5R0.5 C[C@@H](O)C(=N)N 4060246 [1,1,0,0,0,0|1,0,0]=3 23 B5R0.5 C[C@H](O)C(=N)N 4057094 [1,1,0,0,0,0|1,0,0]=3 24 B5R0.2 COCCNN 4050590 [1,1,0,0,0,0|1,0,0]=3 25 B5R0.2 COCCNN 4089703 [1,1,0,0,0,0|1,0,0]=3 26 B5R0.2 NNCCCO 4090002 [1,1,0,0,0,0|1,0,0]=3 27 B7R0.2 CNC(C)CC(=O)O 4090195 [0,2,0,0,0,0|1,0,0]=3 28 B7R0.3 CCC(=O)NCCN 4028425 [0,2,0,0,0,0|2,0,0]=4 29 B7R0.3 CCCOC(C)CN 4089733 [0,2,0,0,0,0|1,0,1]=4 30 B7R0.3 CNC(=O)CCCN 4089383 [0,2,0,0,0,0|0,0,0]=2 31 B7R0.3 CNCCC(=O)NC 4088709 [0,2,0,0,0,0|0,0,0]=2 32 B7R0.3 COCC\C(N)=N/O 4090102 [0,2,0,0,0,0|0,0,1]=3 33 B7R0.5 CN(C)C(=O)CCN 4090962 [0,2,0,0,0,0|1,0,0]=3 34 B7R0.5 CNCC(C)C(=O)O 4088272 [0,2,0,0,0,0|1,0,0]=3 35 B7R0.7 CCCC(C)NCC 4090739 [0,2,0,0,0,0|1,0,1]=4 36 B7R0.10 CCC(N)C(=O)NC 4090715 [0,2,0,0,0,0|0,0,0]=2 37 B7R0.10 CNC(=O)C(C)CN 4089454 [0,2,0,0,0,0|1,0,0]=3 38 B7R0.10 CNC(=O)[C@@H](C)NC 4058453 [0,2,0,0,0,0|1,0,0]=3 39 B7R0.10 CNC(=O)[C@H](C)NC 4051973 [0,2,0,0,0,0|1,0,0]=3 40 B7R0.10 CN[C@@H](C)C(=O)OC 4063702 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.10 CN[C@H](C)C(=O)OC 4068255 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.9 CC(C)CC(C)(C)N 4088334 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.16 C[C@@H](C(=O)O)N(C)C 4053971 [0,2,0,0,0,0|2,0,0]=4 44 B7R0.16 C[C@H](C(=O)O)N(C)C 4078952 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.13 CC(C)(CN)C(=O)O 4089012 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.4 COCCNC(=N)N 4090647 [0,2,0,0,0,0|1,0,0]=3 47 B7R0.6 CC(N)CCN(C)C 4033886 [0,2,0,0,0,0|1,0,1]=4 48 B7R0.6 CN(C)CCC(=N)N 4089883 [0,2,0,0,0,0|1,0,0]=3 49 B7R0.8 CC(C)(N)CCCO 4034885 [0,2,0,0,0,0|1,0,1]=4 50 B7R0.8 CCOCC(C)(C)N 4090193 [0,2,0,0,0,0|1,0,1]=4 51 B5R1.4 C[C@@H]1C[C@H]1N 4110616 [1,0,0,1,0,0|1,0,1]=4 52 B5R1.1 C1CNOC1 4089053 [1,0,0,1,0,0|1,0,0]=3 53 B7R1.2 CN1CC[C@@H](N)C1 4093148 [0,1,0,1,0,0|1,0,1]=4 54 B7R1.2 NC1CCC(O)C1 4094627 [0,1,0,1,0,0|1,0,1]=4 55 B7R1.2 N[C@@H]1CC[C@H](O)C1 4089591 [0,1,0,1,0,0|1,0,1]=4 56 B7R1.3 CC1COCCN1 4037925 [0,1,0,1,0,0|1,0,1]=4 57 B7R1.3 NC1C=CCCC1 4075151 [0,1,0,1,0,0|1,0,1]=4 58 B7R1.3 NC1CCOCC1 4003544 [0,1,0,1,0,0|1,0,1]=4 59 B7R1.3 NC1CCOCC1 4089666 [0,1,0,1,0,0|1,0,1]=4 60 B7R1.3 N[C@@H]1CCCOC1 4095390 [0,1,0,1,0,0|0,0,2]=4 61 B7R1.3 N[C@H]1CCCOC1 4105155 [0,1,0,1,0,0|0,0,2]=4 62 B7R1.4 NC1CCNC1=O 4019954 [0,1,0,1,0,0|0,0,0]=2 63 B7R1.4 N[C@@H]1CCNC1=O 4101224 [0,1,0,1,0,0|0,0,0]=2 64 B7R1.4 N[C@H]1CCNC1=O 4107612 [0,1,0,1,0,0|0,0,0]=2 65 B7R1.10 COC1CC(N)C1 4035443 [0,1,0,1,0,0|1,0,1]=4 66 B7R1.10 CO[C@H]1C[C@@H](N)C1 4048109 [0,1,0,1,0,0|1,0,1]=4 67 B7R1.21 CCCC1(N)CC1 4090398 [0,1,0,1,0,0|1,0,1]=4 68 B7R1.20 N=C(N)NC1CC1 4087927 [0,1,0,1,0,0|1,0,0]=3 69 B7R1.19 CC(N)C1(O)CC1 4035778 [0,1,0,1,0,0|1,0,1]=4 70 B7R1.14 CC1(N)CCCC1 4088523 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.26 CC(C)(N)C1CC1 4049152 [0,1,0,1,0,0|1,0,1]=4