0 B7R0.4 COCCNC(=N)N 4090647 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.4 CCCCC(=N)N 4090419 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.4 CNCCC(=O)O 4088781 [1,0,0,0,0,0|1,0,0]=2 3 B6R0.4 CNCCC(N)=O 4090391 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.6 C=CCNCCC 4088685 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.6 CCOCCNC 4089681 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.1 CCC1CCC(=O)N1 4027451 [0,0,0,1,0,0|1,0,0]=2 7 B8R1.1 CCC1CNC(=O)C1 4026756 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.1 NCC1CCC(=O)N1 4111537 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.1 O=C1CCC(CCl)O1 4035082 [0,0,0,1,0,0|1,0,0]=2 10 B8R1.4 CC1CNCC(=O)N1 4049339 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4108327 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.7 CC(N)C1CCCC1 4090794 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.22 CC1CNCCCO1 4041125 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.22 O=C1CCNCCN1 4090378 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.22 OC1CCCNCC1 4088463 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.72 CC1(N)CCCCC1 4090363 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.72 O=S1(=O)CCNCC1 4089409 [0,0,0,1,0,0|2,0,1]=4 19 B5R0.2 NNCCCO 4090002 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.2 CNC(C)CC(=O)O 4090195 [1,1,0,0,0,0|1,0,0]=3 21 B7R0.3 CNC(=O)CCCN 4089383 [1,1,0,0,0,0|2,0,0]=4 22 B7R0.3 CNCCC(=O)NC 4088709 [1,1,0,0,0,0|2,0,0]=4 23 B7R0.3 COCC\C(N)=N/O 4090102 [1,1,0,0,0,0|2,0,0]=4 24 B7R0.5 CNCC(C)C(=O)O 4088272 [1,1,0,0,0,0|1,0,0]=3 25 B7R1.1 CCC1C=CCN1 4090190 [1,0,0,1,0,0|2,0,0]=4 26 B7R1.1 OC[C@@H]1CCNC1 4098010 [1,0,0,1,0,0|1,0,1]=4 27 B7R1.4 NC1CCNC1=O 4019954 [1,0,0,1,0,0|2,0,0]=4 28 B7R1.4 N[C@@H]1CCNC1=O 4101224 [1,0,0,1,0,0|2,0,0]=4 29 B7R1.4 N[C@H]1CCNC1=O 4107612 [1,0,0,1,0,0|2,0,0]=4 30 B7R1.6 CNCC1CCC1 4089393 [1,0,0,1,0,0|2,0,0]=4 31 B7R1.24 C1=CCCNCC1 4110732 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.24 C1CNCCOC1 4036691 [1,0,0,1,0,0|1,0,1]=4 33 B7R1.24 C1CNCCOC1 4088544 [1,0,0,1,0,0|1,0,1]=4 34 B9R1.7 N#CCC1CCC(=O)N1 4108168 [0,1,0,1,0,0|1,0,1]=4 35 B9R1.7 N#CC[C@@H]1CCC(=O)N1 4046620 [0,1,0,1,0,0|1,0,1]=4 36 B9R1.7 NCCC1CCC(=O)N1 4110733 [0,1,0,1,0,0|1,0,0]=3 37 B9R1.7 O=C1CC[C@@H](CCO)N1 4046046 [0,1,0,1,0,0|1,0,0]=3 38 B9R1.7 O=C1CC[C@H](CCO)N1 4054374 [0,1,0,1,0,0|1,0,0]=3 39 B9R1.13 O=C(O)CC1=CCCC1 4042684 [0,1,0,1,0,0|0,0,1]=3 40 B9R1.13 O=C(O)CC1CCCN1 4090243 [0,1,0,1,0,0|0,0,0]=2 41 B9R1.41 CN1CC=CC1C(=O)O 4029308 [0,1,0,1,0,0|0,0,2]=4 42 B9R1.41 CN1CCC[C@H]1C(=O)O 4090456 [0,1,0,1,0,0|0,0,0]=2 43 B9R1.41 CN1CSC[C@H]1C(=O)O 4088259 [0,1,0,1,0,0|1,0,0]=3 44 B9R1.41 C[C@H]1OCC[C@H]1C(=O)O 4061662 [0,1,0,1,0,0|0,0,0]=2 45 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O 4003600 [0,1,0,1,0,0|0,0,0]=2 46 B9R1.66 CC1(C)CCNC(=O)C1 4036163 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.2 CC[C@@H]1C[C@@H](O)CCN1 4078695 [0,1,0,1,0,0|1,0,1]=4 48 B9R1.2 NCC1CCCC(O)C1 4023807 [0,1,0,1,0,0|1,0,1]=4 49 B9R1.2 NC[C@@H]1CCC[C@@H](O)C1 4110384 [0,1,0,1,0,0|1,0,1]=4 50 B9R1.2 NC[C@H]1CCC[C@@H](O)C1 4110840 [0,1,0,1,0,0|1,0,1]=4 51 B9R1.5 N[C@@H]1CCCCC[C@@H]1O 4046958 [0,1,0,1,0,0|1,0,1]=4 52 B9R1.11 CNC(=O)C1CCCN1 4018265 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.11 CNC(=O)C1CCNC1 4029785 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.11 CNC(=O)[C@@H]1CCCN1 4088702 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.11 CNC(=O)[C@H]1CCCN1 4090109 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.11 NCC(=O)N1CCCC1 4088472 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.49 CC1CNC(=O)CCN1 4089332 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.49 NC1CCNC(=O)CC1 4020296 [0,1,0,1,0,0|1,0,0]=3 59 B9R1.132 CN1C(=O)CCC1CN 4088603 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.132 CN1C(=O)CCC1CN 4111538 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.6 CC(O)C1CCNCC1 4087900 [0,1,0,1,0,0|1,0,1]=4 62 B9R1.6 O=C(O)C1=CCCNC1 4088590 [0,1,0,1,0,0|0,0,2]=4 63 B9R1.6 O=C(O)C1CCSCN1 4088340 [0,1,0,1,0,0|1,0,0]=3 64 B9R1.6 O=C(O)C1COCCO1 4016984 [0,1,0,1,0,0|1,0,0]=3 65 B9R1.69 C[C@@H]1CN[C@H](C)C(=O)N1 4054379 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.69 C[C@@H]1NC[C@@H](C)NC1=O 4082967 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.69 C[C@H]1CN[C@@H](C)C(=O)N1 4084559 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.69 C[C@H]1CN[C@H](C)C(=O)N1 4059417 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.95 COC1CC(C(=O)O)C1 4029580 [0,1,0,1,0,0|1,0,0]=3 70 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 4058431 [0,1,0,1,0,0|1,0,0]=3 71 B9R1.110 CC(C(=O)O)N1CCC1 4045545 [0,1,0,1,0,0|1,0,0]=3 72 B9R1.163 CC1(C(=O)O)CCCN1 4090777 [0,1,0,1,0,0|1,0,0]=3 73 B9R1.163 CC1(C(=O)O)OCCO1 4043288 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4142038 [0,1,0,1,0,0|1,0,0]=3 75 B9R1.147 CC1(CCC(=O)O)CC1 4012703 [0,1,0,1,0,0|0,0,0]=2 76 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 4082172 [0,0,0,2,0,0|2,0,0]=4 77 B9R2.7 O=C1C[C@@H]2CCO[C@H]12 4059800 [0,0,0,2,0,0|2,0,0]=4