0 B6R0.1 CCOC(C)CN 4089019 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C=C(CC)CN 4074283 [1,0,0,0,0,0|2,0,0]=3 2 B5R0.3 CCC(C)NC 4039876 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.3 CCC(C)NC 4089297 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.3 CNC(=O)CN 4089909 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.3 COC(C)CN 4089925 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.3 CO[C@@H](C)CO 4031352 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.3 CCC(=O)NCCN 4028425 [0,1,0,0,0,0|1,0,0]=2 8 B7R0.3 CCCOC(C)CN 4089733 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.3 CCN(C)CCNC 4027628 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.3 CNC(=O)CCCN 4089383 [0,1,0,0,0,0|2,0,0]=3 11 B7R0.3 CNCCC(=O)NC 4088709 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.5 CN(C)C(=O)CCN 4090962 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.7 CCCC(C)NCC 4090739 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.10 CCC(N)C(=O)NC 4090715 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.10 CNC(=O)C(C)CN 4089454 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.10 CNC(=O)[C@@H](C)NC 4058453 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.10 CNC(=O)[C@H](C)NC 4051973 [0,1,0,0,0,0|3,0,0]=4 18 B7R0.10 CN[C@@H](C)C(=O)OC 4063702 [0,1,0,0,0,0|3,0,0]=4 19 B7R0.10 CN[C@H](C)C(=O)OC 4068255 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.11 CCS(=O)(=O)CCN 4089975 [0,1,0,0,0,0|3,0,0]=4 21 B7R1.3 CC1CNCCO1 4090031 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.3 C[C@@H]1CNCCO1 4037141 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.4 NC1CCNC1=O 4019954 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.4 N[C@@H]1CCNC1=O 4101224 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.4 N[C@H]1CCNC1=O 4107612 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.21 CCCC1(N)CC1 4090398 [0,0,0,1,0,0|2,0,1]=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 B6R0.4 CNCCC(=O)O 4088781 [1,1,0,0,0,0|2,0,0]=4 30 B6R0.4 CNCCC(N)=O 4090391 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.6 CCOCCNC 4089681 [1,1,0,0,0,0|0,0,1]=3 32 B6R0.9 CCC(CN)OC 4090078 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.2 COC(=O)C(=O)C(C)C 4045773 [0,2,0,0,0,0|2,0,0]=4 34 B8R0.3 CCOC(=O)C(N)CO 3020297 [0,2,0,0,0,0|0,0,0]=2 35 B8R0.3 COC(=O)[C@@H](N)CSC 4090948 [0,2,0,0,0,0|2,0,0]=4 36 B8R0.8 CC(C)C(=O)NCCN 4090894 [0,2,0,0,0,0|1,0,0]=3 37 B8R0.8 CN(C)C(=O)CCCN 4089531 [0,2,0,0,0,0|2,0,0]=4 38 B8R0.8 CNCCC(=O)N(C)C 4034649 [0,2,0,0,0,0|2,0,0]=4 39 B8R0.25 CCS(=O)(=O)CCNC 4090716 [0,2,0,0,0,0|2,0,0]=4 40 B6R1.1 C1CCONC1 4089921 [1,0,0,1,0,0|1,0,0]=3 41 B8R1.1 CCC1CCC(=O)N1 4027451 [0,1,0,1,0,0|1,0,0]=3 42 B8R1.1 CCC1CNC(=O)C1 4026756 [0,1,0,1,0,0|2,0,0]=4 43 B8R1.1 NCC1CCC(=O)N1 4111537 [0,1,0,1,0,0|1,0,0]=3 44 B8R1.1 O=C1CCC(CCl)O1 4035082 [0,1,0,1,0,0|0,0,0]=2 45 B8R1.4 CC1CNCC(=O)N1 4049339 [0,1,0,1,0,0|1,0,0]=3 46 B8R1.4 C[C@H]1CNCC(=O)N1 4057204 [0,1,0,1,0,0|1,0,0]=3 47 B8R1.40 NCC(=O)NC1CC1 4088865 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.2 CC[C@@H]1COCCN1 4039428 [0,1,0,1,0,0|1,0,1]=4 49 B8R1.2 CC[C@H]1COCCN1 4039169 [0,1,0,1,0,0|1,0,1]=4 50 B8R1.2 NCC1=CCCCC1 4089848 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.2 NCC1CCCCO1 4003524 [0,1,0,1,0,0|1,0,1]=4 52 B8R1.3 CC1CNC(=O)CN1 4045852 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.3 C[C@@H]1CNC(=O)CN1 4090663 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.3 C[C@H]1CNC(=O)CN1 4089619 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.3 N[C@H]1CCC(=O)NC1 4097106 [0,1,0,1,0,0|1,0,0]=3 56 B8R1.5 CN1CCNCC1=O 4090061 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.5 NC1CCCNC1=O 4089547 [0,1,0,1,0,0|1,0,0]=3 58 B8R1.5 O=C1CCCNC1=O 4038506 [0,1,0,1,0,0|1,0,1]=4 59 B8R1.22 CC1CNCCCO1 4041125 [0,1,0,1,0,0|1,0,1]=4 60 B8R1.22 O=C1CCNCCN1 4090378 [0,1,0,1,0,0|1,0,0]=3 61 B8R1.8 CCOC1CCNC1 4089420 [0,1,0,1,0,0|1,0,1]=4 62 B8R1.8 OCCC1CCCO1 4016666 [0,1,0,1,0,0|1,0,1]=4