0 B7R0.3 CCCOC(C)CN 4089733 [1,0,0,0,0,0|2,0,1]=4 1 B7R0.5 CNCC(C)C(=O)O 4088272 [1,0,0,0,0,0|1,0,0]=2 2 B9R1.5 N[C@@H]1CCCCC[C@@H]1O 4046958 [0,0,0,1,0,0|2,0,1]=4 3 B9R1.6 CC(O)C1CCNCC1 4087900 [0,0,0,1,0,0|2,0,1]=4 4 B9R1.6 O=C(O)C1=CCCNC1 4088590 [0,0,0,1,0,0|1,0,2]=4 5 B9R1.6 O=C(O)C1CCSCN1 4088340 [0,0,0,1,0,0|2,0,0]=3 6 B9R1.6 O=C(O)C1COCCO1 4016984 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.23 CN1CC(CN)CC1=O 4091208 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O 4003600 [0,0,0,1,0,0|0,0,0]=1 9 B9R1.69 C[C@@H]1CN[C@H](C)C(=O)N1 4054379 [0,0,0,1,0,0|2,0,0]=3 10 B9R1.69 C[C@@H]1NC[C@@H](C)NC1=O 4082967 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.69 C[C@H]1CN[C@@H](C)C(=O)N1 4084559 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.69 C[C@H]1CN[C@H](C)C(=O)N1 4059417 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.95 COC1CC(C(=O)O)C1 4029580 [0,0,0,1,0,0|1,0,0]=2 14 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 4058431 [0,0,0,1,0,0|1,0,0]=2 15 B9R1.110 CC(C(=O)O)N1CCC1 4045545 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.163 CC1(C(=O)O)CCCN1 4090777 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.163 CC1(C(=O)O)OCCO1 4043288 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4142038 [0,0,0,1,0,0|1,0,0]=2 19 B6R0.4 CCCCC(=N)N 4090419 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.4 CNCCC(=O)O 4088781 [2,0,0,0,0,0|1,0,0]=3 21 B6R0.4 CNCCC(N)=O 4090391 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.6 C=CCNCCC 4088685 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.3 CN[C@@H](C)C(N)=O 4077652 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.3 CN[C@H](C)C(N)=O 4076581 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.23 CC(CN(C)C)C(=O)O 4090277 [1,1,0,0,0,0|1,0,0]=3 26 B8R1.5 CC1CNCCC1O 4097511 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.5 CN1CCNCC1=O 4090061 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.5 NC1CCCNC1=O 4089547 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.52 CC1(CN)CCCC1 4042897 [1,0,0,1,0,0|1,0,1]=4 30 B8R1.4 CC1CNCC(=O)N1 4049339 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.23 O=C(O)C1CC(O)C1 4028966 [1,0,0,1,0,0|1,0,0]=3 33 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 4045921 [1,0,0,1,0,0|1,0,0]=3 34 B10R1.18 N=C(N)NC1CCCCC1 4089027 [0,0,0,1,0,1|2,0,0]=4 35 B10R1.18 O=C(O)CC1CNCCO1 4089101 [0,0,0,1,0,1|2,0,0]=4 36 B10R1.18 O=C(O)CC1COCCO1 4016657 [0,0,0,1,0,1|2,0,0]=4 37 B10R1.18 O=C(O)CN1CCSCC1 3002547 [0,0,0,1,0,1|2,0,0]=4 38 B10R1.54 CN1CCC(CC(=O)O)C1 4091051 [0,0,0,1,0,1|1,0,0]=3 39 B10R1.61 CN1CCCCC1C(=O)O 4089496 [0,0,0,1,0,1|1,0,0]=3 40 B10R1.61 CN1CCNCC1C(=O)O 4089723 [0,0,0,1,0,1|2,0,0]=4 41 B10R1.61 CN1CCOCC1C(=O)O 4402104 [0,0,0,1,0,1|2,0,0]=4 42 B10R1.61 NC(=O)[C@@H]1CCCC[C@H]1N 4047092 [0,0,0,1,0,1|2,0,0]=4 43 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N 4031246 [0,0,0,1,0,1|2,0,0]=4 44 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N 4090440 [0,0,0,1,0,1|2,0,0]=4 45 B10R1.59 CN1C[C@@H](N)C[C@H]1C(=O)O 4036533 [0,1,0,1,0,0|2,0,0]=4 46 B10R1.59 CN1C[C@H](N)C[C@H]1C(=O)O 4036534 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.13 CN1CCC(C(=O)O)CC1 4088806 [0,1,0,1,0,0|1,0,0]=3 48 B10R1.470 CC1(C(=O)O)CCC(=O)O1 4023942 [0,1,0,1,0,0|1,0,1]=4 49 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 4039321 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 4089275 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.15 CNC(=O)C1CCCCN1 4088672 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.15 CNC(=O)C1CCCNC1 4090914 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.15 COC(=O)C1CNCCO1 4088946 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.15 COC(=O)[C@@H]1CNCCO1 4098226 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.176 CN1CC(CN)OCC1=O 4089546 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.411 COC(=O)[C@@]1(C)CCCN1 4042235 [0,1,0,1,0,0|1,0,0]=3 57 B10R1.348 O=C(O)C1CCCCCN1 4140254 [0,1,0,1,0,0|0,0,0]=2 58 B10R1.477 CNC1(C(=O)O)CCCC1 4091153 [0,1,0,1,0,0|0,0,0]=2 59 B10R1.477 NCC1(C(=O)O)CCCC1 4090763 [0,1,0,1,0,0|0,0,0]=2 60 B10R1.113 CC(=O)N1CCCC(N)C1 4089265 [0,1,0,1,0,0|2,0,0]=4 61 B10R1.113 CN1CCNC(C(=O)O)C1 4090798 [0,1,0,1,0,0|1,0,0]=3 62 B10R1.363 CC1(C(=O)O)CCCNC1 4091028 [0,1,0,1,0,0|0,0,0]=2 63 B10R1.363 CC1(C(=O)O)CCNCC1 4090206 [0,1,0,1,0,0|0,0,0]=2 64 B10R1.363 CC1(C(N)=O)CCNCC1 4089906 [0,1,0,1,0,0|1,0,0]=3 65 B10R1.363 O=C(O)C1(O)CCNCC1 4088833 [0,1,0,1,0,0|1,0,0]=3