0 B6R0.4 CCCCC(=N)N 4090419 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.4 CNCCC(=O)O 4088781 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.4 CNCCC(N)=O 4090391 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 COCC(=N)N 4091089 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.2 COCCNN 4050590 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.2 COCCNN 4089703 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.2 NNCCCO 4090002 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.2 CC[C@@H](N)CN(C)C 4066349 [0,1,0,0,0,0|3,0,0]=4 8 B7R0.2 CC[C@H](N)CN(C)C 4069075 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.2 CNC(C)CC(=O)O 4090195 [0,1,0,0,0,0|1,0,0]=2 10 B7R0.3 CCC(=O)NCCN 4028425 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.3 CNC(=O)CCCN 4089383 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.3 CNCCC(=O)NC 4088709 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.3 COCC\C(N)=N/O 4090102 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.4 COCCNC(=N)N 4090647 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.5 CNCC(C)C(=O)O 4088272 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.6 CC(N)CCN(C)C 4033886 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.6 CN(C)CCC(=N)N 4089883 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.2 NC1CCC(O)C1 4094627 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.2 N[C@@H]1CC[C@H](O)C1 4089591 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.3 CC1CNCCO1 4090031 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.3 C[C@@H]1CNCCO1 4037141 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.10 CCN1CC(O)C1 4089118 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.10 CO[C@H]1C[C@@H](O)C1 4069248 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.14 CC1(N)CCCC1 4088523 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.20 N=C(N)NC1CC1 4087927 [0,0,0,1,0,0|3,0,0]=4 26 B4R0.2 CCCNN 4088315 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.2 CC(=O)CC(C)N 4022442 [1,1,0,0,0,0|1,0,0]=3 28 B6R0.2 CC(=O)CC(C)N 4089784 [1,1,0,0,0,0|1,0,0]=3 29 B6R0.2 CC(C)CC(=N)N 4089840 [1,1,0,0,0,0|2,0,0]=4 30 B6R0.3 CN[C@@H](C)C(N)=O 4077652 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.3 CN[C@H](C)C(N)=O 4076581 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.6 C=CCNCCC 4088685 [1,1,0,0,0,0|1,0,0]=3 33 B6R0.6 CCOCCNC 4089681 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.16 CCN(CC)CC(=O)O 4088211 [0,2,0,0,0,0|1,0,0]=3 35 B8R0.23 CC(C)C(N)CC(=O)O 3020223 [0,2,0,0,0,0|0,0,0]=2 36 B8R0.23 CC(C)[C@H](N)CC(=O)O 4106166 [0,2,0,0,0,0|0,0,0]=2 37 B8R0.23 CC(CC(=O)O)N(C)C 4088130 [0,2,0,0,0,0|1,0,0]=3 38 B8R0.23 CC(CN(C)C)C(=O)O 4090277 [0,2,0,0,0,0|1,0,0]=3 39 B8R0.3 COC(=O)[C@@H](N)CSC 4090948 [0,2,0,0,0,0|1,0,0]=3 40 B8R0.8 CN(C)C(=O)CCCN 4089531 [0,2,0,0,0,0|2,0,0]=4 41 B8R0.8 CNCCC(=O)N(C)C 4034649 [0,2,0,0,0,0|2,0,0]=4 42 B8R0.29 CC(C)(N)CCC(=O)O 4090529 [0,2,0,0,0,0|0,0,0]=2 43 B6R1.1 C1CCONC1 4089921 [1,0,0,1,0,0|1,0,0]=3 44 B6R1.4 N[C@H]1CC[C@@H]1O 4071120 [1,0,0,1,0,0|1,0,1]=4 45 B6R1.4 N[C@H]1CC[C@H]1O 4068939 [1,0,0,1,0,0|1,0,1]=4 46 B6R1.6 NCC1CCC1 4090412 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.1 CC1=NOC(CN)C1 4090248 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.1 CCC1CCC(=O)N1 4027451 [0,1,0,1,0,0|1,0,0]=3 49 B8R1.1 CCC1CNC(=O)C1 4026756 [0,1,0,1,0,0|1,0,0]=3 50 B8R1.1 NCC1CCC(=O)N1 4111537 [0,1,0,1,0,0|1,0,0]=3 51 B8R1.1 O=C1CCC(CCl)O1 4035082 [0,1,0,1,0,0|0,0,0]=2 52 B8R1.4 CC1CNCC(=O)N1 4049339 [0,1,0,1,0,0|1,0,0]=3 53 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [0,1,0,1,0,0|1,0,0]=3 54 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4108327 [0,1,0,1,0,0|1,0,1]=4 55 B8R1.40 NCC(=O)NC1CC1 4088865 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.51 NC1CCS(=O)(=O)C1 4087954 [0,1,0,1,0,0|1,0,1]=4 57 B8R1.2 NCC1=CCCCC1 4089848 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.2 NCC1CCCCO1 4003524 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.3 CC1CNC(=O)CN1 4045852 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.3 C[C@@H]1CNC(=O)CN1 4090663 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.3 C[C@H]1CNC(=O)CN1 4089619 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.3 N[C@H]1CCC(=O)NC1 4097106 [0,1,0,1,0,0|1,0,0]=3 63 B8R1.5 CN1CCNCC1=O 4090061 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.5 NC1CCCNC1=O 4089547 [0,1,0,1,0,0|1,0,0]=3 65 B8R1.5 O=C1CCCNC1=O 4038506 [0,1,0,1,0,0|1,0,1]=4 66 B8R1.22 CC1CNCCCO1 4041125 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.22 O=C1CCNCCN1 4090378 [0,1,0,1,0,0|1,0,0]=3 68 B8R1.22 OC1CCCNCC1 4088463 [0,1,0,1,0,0|1,0,1]=4 69 B8R1.72 O=S1(=O)CCNCC1 4089409 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.23 O=C(O)C1CC(O)C1 4028966 [0,1,0,1,0,0|0,0,0]=2 71 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 4045921 [0,1,0,1,0,0|0,0,0]=2