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|2,0,1]=3 2 B7R0.3 CCN(C)CCNC 4027628 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.3 CNC(=O)CCCN 4089383 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.3 CNCCC(=O)NC 4088709 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCOC(C)CN 4089019 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CCCCC(=N)N 4090419 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.4 CNCCC(=O)O 4088781 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.4 CNCCC(N)=O 4090391 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.6 CCOCCNC 4089681 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.3 COC(=O)[C@@H](N)CSC 4090948 [0,1,0,0,0,0|3,0,0]=4 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|3,0,0]=4 13 B8R0.8 CNCCC(=O)N(C)C 4034649 [0,1,0,0,0,0|3,0,0]=4 14 B8R0.25 CCS(=O)(=O)CCNC 4090716 [0,1,0,0,0,0|3,0,0]=4 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|2,0,0]=3 17 B8R1.1 NCC1CCC(=O)N1 4111537 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.1 O=C1CCC(CCl)O1 4035082 [0,0,0,1,0,0|1,0,0]=2 19 B8R1.2 NCC1=CCCCC1 4089848 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.2 NCC1CCCCO1 4003524 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.3 CC1CCC(N)CC1 3002871 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.3 CC1CNC(=O)CN1 4045852 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.3 C[C@@H]1CNC(=O)CN1 4090663 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.3 C[C@H]1CC[C@@H](N)CC1 4095854 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.3 C[C@H]1CNC(=O)CN1 4089619 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.3 N[C@H]1CCC(=O)NC1 4097106 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.5 CN1CCNCC1=O 4090061 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.5 NC1CCCNC1=O 4089547 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.5 O=C1CCCNC1=O 4038506 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.22 CC1CNCCCO1 4041125 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.22 O=C1CCNCCN1 4090378 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.40 NCC(=O)NC1CC1 4088865 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.52 CC1(CN)CCCO1 4018199 [0,0,0,1,0,0|2,0,1]=4 34 B5R0.3 C=C(CC)CN 4074283 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.3 CNC(=O)CN 4089909 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.5 CN(C)C(=O)CCN 4090962 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.7 CCCC(C)NCC 4090739 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.10 CCC(N)C(=O)NC 4090715 [1,1,0,0,0,0|1,0,0]=3 39 B7R0.10 CNC(=O)C(C)CN 4089454 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.10 CNC(=O)[C@@H](C)NC 4058453 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.10 CNC(=O)[C@H](C)NC 4051973 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.10 CN[C@@H](C)C(=O)OC 4063702 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.10 CN[C@H](C)C(=O)OC 4068255 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.11 CCS(=O)(=O)CCN 4089975 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.18 CCOCC(=O)NCCN 3020446 [0,2,0,0,0,0|2,0,0]=4 46 B9R0.34 CCOC(=O)CC(C)NC 3005120 [0,2,0,0,0,0|2,0,0]=4 47 B9R0.21 CNC(=O)CCC(C)(C)N 4090294 [0,2,0,0,0,0|2,0,0]=4 48 B7R1.4 NC1CCNC1=O 4019954 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.4 N[C@@H]1CCNC1=O 4101224 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.4 N[C@H]1CCNC1=O 4107612 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.21 CCCC1(N)CC1 4090398 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.24 C1=CCCNCC1 4110732 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.24 C1CNCCOC1 4036691 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.24 C1CNCCOC1 4088544 [1,0,0,1,0,0|1,0,1]=4 55 B9R1.7 N#CCC1CCC(=O)N1 4108168 [0,1,0,1,0,0|1,0,1]=4 56 B9R1.7 N#CC[C@@H]1CCC(=O)N1 4046620 [0,1,0,1,0,0|1,0,1]=4 57 B9R1.7 NCCC1CCC(=O)N1 4110733 [0,1,0,1,0,0|1,0,0]=3 58 B9R1.7 O=C1CC[C@@H](CCO)N1 4046046 [0,1,0,1,0,0|1,0,0]=3 59 B9R1.7 O=C1CC[C@H](CCO)N1 4054374 [0,1,0,1,0,0|1,0,0]=3 60 B9R1.15 CCC1NCCNC1=O 4091140 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.15 CCN1CCNCC1=O 4088235 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.33 NCCN1CCCC1=O 4088871 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.49 CC1CNC(=O)CCN1 4089332 [0,1,0,1,0,0|1,0,0]=3 64 B9R1.49 NC1CCNC(=O)CC1 4020296 [0,1,0,1,0,0|1,0,0]=3 65 B9R1.69 CN1CC(N)CCC1=O 4016162 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.69 CN1CC(N)CCC1=O 4087873 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.69 CN1CC(O)CCC1=O 4079526 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.69 C[C@@H]1CN[C@H](C)C(=O)N1 4054379 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.69 C[C@@H]1NC[C@@H](C)NC1=O 4082967 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.69 C[C@H]1CN[C@@H](C)C(=O)N1 4084559 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.69 C[C@H]1CN[C@H](C)C(=O)N1 4059417 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.11 CNC(=O)C1CCCN1 4018265 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.11 CNC(=O)C1CCNC1 4029785 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.11 CNC(=O)[C@@H]1CCCN1 4088702 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.11 CNC(=O)[C@H]1CCCN1 4090109 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.11 NCC(=O)N1CCCC1 4088472 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 4089064 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 4089003 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.132 CN1C(=O)CCC1CN 4088603 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.132 CN1C(=O)CCC1CN 4111538 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.21 CCC1=NOC(CN)C1 4090521 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.40 CC1(C)CCCNC1=O 4035135 [0,1,0,1,0,0|1,0,0]=3 83 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 4082172 [0,0,0,2,0,0|2,0,0]=4 84 B9R2.7 O=C1C[C@@H]2CCO[C@H]12 4059800 [0,0,0,2,0,0|2,0,0]=4