0 B7R0.3 CCC(=O)NCCN 4028425 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.3 CCCOC(C)CN 4089733 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 CCN(C)CCNC 4027628 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.3 CNC(=O)CCCN 4089383 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.3 CNCCC(=O)NC 4088709 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.3 COCC\C(N)=N/O 4090102 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.4 CCCCC(=N)N 4090419 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.4 CNCCC(=O)O 4088781 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 CNCCC(N)=O 4090391 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.6 CCOCCNC 4089681 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.3 COC(=O)[C@@H](N)CSC 4090948 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.8 CC(C)C(=O)NCCN 4090894 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.8 CN(C)C(=O)CCCN 4089531 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.8 CNCCC(=O)N(C)C 4034649 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.25 CCS(=O)(=O)CCNC 4090716 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.1 CCC1CCC(=O)N1 4027451 [0,0,0,1,0,0|1,0,0]=2 16 B8R1.1 CCC1CNC(=O)C1 4026756 [0,0,0,1,0,0|1,0,0]=2 17 B8R1.1 CCN1CC[C@@H](N)C1 4099937 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.1 CCN1CC[C@H](N)C1 4098573 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.1 CN1CCC(CBr)C1 4090341 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.1 NCC1CCC(=O)N1 4111537 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.1 O=C1CCC(CCl)O1 4035082 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.2 CCC1CNCCN1 4090833 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.2 CC[C@@H]1COCCN1 4039428 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.2 CC[C@H]1COCCN1 4039169 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.2 NCC1=CCCCC1 4089848 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.2 NCC1CCCCO1 4003524 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.3 CC1CCC(N)CC1 3002871 [0,0,0,1,0,0|1,0,1]=3 28 B8R1.3 CC1CNC(=O)CN1 4045852 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.3 C[C@@H]1CNC(=O)CN1 4090663 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.3 C[C@H]1CC[C@@H](N)CC1 4095854 [0,0,0,1,0,0|1,0,1]=3 31 B8R1.3 C[C@H]1CNC(=O)CN1 4089619 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.3 N[C@H]1CCC(=O)NC1 4097106 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.5 CC1CNCCC1O 4097511 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.5 CN1CCNCC1=O 4090061 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.5 NC1CCCNC1=O 4089547 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.5 O=C1CCCNC1=O 4038506 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.22 O=C1CCNCCN1 4090378 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.22 OC1CCCNCC1 4088463 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.40 NCC(=O)NC1CC1 4088865 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.52 CC1(CN)CCCC1 4042897 [0,0,0,1,0,0|2,0,1]=4 41 B5R0.3 C=C(CC)CN 4074283 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.3 CNC(=O)CN 4089909 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.5 CN(C)C(=O)CCN 4090962 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.7 CCCC(C)NCC 4090739 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.10 CCC(N)C(=O)NC 4090715 [1,1,0,0,0,0|1,0,0]=3 46 B7R0.10 CNC(=O)C(C)CN 4089454 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.10 CNC(=O)[C@@H](C)NC 4058453 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.10 CNC(=O)[C@H](C)NC 4051973 [1,1,0,0,0,0|2,0,0]=4 49 B7R0.10 CN[C@@H](C)C(=O)OC 4063702 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.10 CN[C@H](C)C(=O)OC 4068255 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.11 CCS(=O)(=O)CCN 4089975 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.6 CC(N)CCN(C)C 4033886 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.18 CCOCC(=O)NCCN 3020446 [0,2,0,0,0,0|1,0,0]=3 54 B9R0.34 CCOC(=O)CC(C)NC 3005120 [0,2,0,0,0,0|1,0,0]=3 55 B9R0.21 CNC(=O)CCC(C)(C)N 4090294 [0,2,0,0,0,0|1,0,0]=3 56 B7R1.4 NC1CCNC1=O 4019954 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.4 N[C@@H]1CCNC1=O 4101224 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.4 N[C@H]1CCNC1=O 4107612 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.21 CCCC1(N)CC1 4090398 [1,0,0,1,0,0|1,0,1]=4 60 B7R1.14 CC1(N)CCCC1 4088523 [1,0,0,1,0,0|1,0,1]=4 61 B7R1.24 C1=CCCNCC1 4110732 [1,0,0,1,0,0|1,0,1]=4 62 B7R1.24 C1CNCCOC1 4036691 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.24 C1CNCCOC1 4088544 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.2 CC[C@@H]1C[C@@H](O)CCN1 4078695 [0,1,0,1,0,0|0,0,2]=4 65 B9R1.7 N#CCC1CCC(=O)N1 4108168 [0,1,0,1,0,0|1,0,1]=4 66 B9R1.7 N#CC[C@@H]1CCC(=O)N1 4046620 [0,1,0,1,0,0|1,0,1]=4 67 B9R1.7 NCCC1CCC(=O)N1 4110733 [0,1,0,1,0,0|1,0,0]=3 68 B9R1.7 O=C1CC[C@@H](CCO)N1 4046046 [0,1,0,1,0,0|1,0,0]=3 69 B9R1.7 O=C1CC[C@H](CCO)N1 4054374 [0,1,0,1,0,0|1,0,0]=3 70 B9R1.8 CNCC1CCCCC1 4088652 [0,1,0,1,0,0|1,0,1]=4 71 B9R1.8 COCC1CCCCN1 4090582 [0,1,0,1,0,0|1,0,1]=4 72 B9R1.8 NCCN1CCCCC1 3020436 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.15 CCC1NCCNC1=O 4091140 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.15 CCN1CCNCC1=O 4088235 [0,1,0,1,0,0|1,0,0]=3 75 B9R1.15 CN1CCCCC1CBr 4088753 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.15 CN1CCCCC1CCl 4088099 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.15 CNC1CCCCC1O 4105003 [0,1,0,1,0,0|0,0,2]=4 78 B9R1.15 CN[C@@H]1CCCC[C@@H]1O 4050792 [0,1,0,1,0,0|0,0,2]=4 79 B9R1.33 NCCN1CCCC1=O 4088871 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.49 CC1CNC(=O)CCN1 4089332 [0,1,0,1,0,0|1,0,0]=3 81 B9R1.49 NC1CCNC(=O)CC1 4020296 [0,1,0,1,0,0|1,0,0]=3 82 B9R1.69 CN1CC(N)CCC1=O 4016162 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.69 CN1CC(N)CCC1=O 4087873 [0,1,0,1,0,0|1,0,0]=3 84 B9R1.69 CN1CC(O)CCC1=O 4079526 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.69 C[C@@H]1CN[C@H](C)C(=O)N1 4054379 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.69 C[C@@H]1NC[C@@H](C)NC1=O 4082967 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.69 C[C@H]1CN[C@@H](C)C(=O)N1 4084559 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.69 C[C@H]1CN[C@H](C)C(=O)N1 4059417 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.69 C[C@H]1C[C@@H](N)CCN1C 4070676 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.134 COCC1(N)CCCC1 4091178 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.5 N[C@@H]1CCCCC[C@@H]1O 4046958 [0,1,0,1,0,0|0,0,2]=4 92 B9R1.11 CNC(=O)C1CCCN1 4018265 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.11 CNC(=O)C1CCNC1 4029785 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.11 CNC(=O)[C@@H]1CCCN1 4088702 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.11 CNC(=O)[C@H]1CCCN1 4090109 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.11 NCC(=O)N1CCCC1 4088472 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 4089064 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 4089003 [0,1,0,1,0,0|1,0,0]=3 99 B9R1.132 CN1C(=O)CCC1CN 4088603 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.132 CN1C(=O)CCC1CN 4111538 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.1 CCC1CCC(N)CC1 3018386 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.1 CN1CCC(C=O)CC1 4088425 [0,1,0,1,0,0|1,0,1]=4 103 B9R1.1 CN1CCC(CCl)CC1 4090733 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.1 COC1CCC(N)CC1 4100479 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 4048378 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.1 CO[C@H]1CC[C@H](N)CC1 4087947 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.21 CCC1=NOC(CN)C1 4090521 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.89 CNC1CCCCCC1 4089903 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.118 CCC1(N)CCOCC1 4017685 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.118 CC[C@]1(C)CCCNC1 4018894 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.23 CN1CC(CN)CC1=O 4091208 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.40 CC1(C)CCCNC1=O 4035135 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.133 CNC1CCS(=O)(=O)C1 4088076 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.133 NCC1CCS(=O)(=O)C1 4089023 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.185 CC1(C)CC1C(=O)NN 4088459 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.148 CC1(N)CCCCCC1 4089106 [0,1,0,1,0,0|1,0,1]=4 117 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 4082172 [0,0,0,2,0,0|2,0,0]=4 118 B9R2.7 O=C1C[C@@H]2CCO[C@H]12 4059800 [0,0,0,2,0,0|1,0,0]=3