0 B5R0.3 CC(CN)CO 4036254 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.3 CC[C@@H](O)CN 4036900 [0,0,0,0,0,0|2,1,0]=3 2 B5R0.3 CC\C(N)=N\O 4030035 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 CC\C(N)=N\O 4089717 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CNC(=O)CO 4032781 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.3 CNC(C)CO 4028640 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 COC(C)CN 4031070 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.3 COC(C)CO 4045600 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 N\C(CO)=N/O 4045643 [0,0,0,0,0,0|2,1,1]=4 9 B4R0.1 CC(=O)CN 4035253 [1,0,0,0,0,0|1,1,1]=4 10 B4R0.1 CC(C)NN 4032832 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.2 CCCNN 4085300 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 C=CCC(O)CN 4080175 [0,1,0,0,0,0|2,1,0]=4 13 B6R0.1 CCC(C)CCN 4015078 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.1 CCC(O)CNN 4030953 [0,1,0,0,0,0|2,1,0]=4 15 B6R0.1 CCCC(N)CC 4028240 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.1 CCCC(N)CC 4088911 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.1 CCNC(C)CC 4024881 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.1 CCNC(C)CC 4089770 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.1 CCNC(C)CO 4027506 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.1 CCOC(C)CN 4029821 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.1 CNC(C)CCO 4027121 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.1 COCC(N)CO 4030437 [0,1,0,0,0,0|1,1,0]=3 23 B6R0.1 COCC(O)CN 4001723 [0,1,0,0,0,0|1,1,0]=3 24 B6R0.1 CSC\C(N)=N\O 4042689 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.3 CC(C)C(O)CN 4038941 [0,1,0,0,0,0|2,1,0]=4 26 B6R0.8 C=CC(C)(C)CO 4071188 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.8 CCC(C)(N)CC 4035688 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.9 CCC(CC)CN 4034714 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.9 CCC(CC)NC 4027066 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.9 CCC(CC)NC 4090629 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.9 CCC(CN)OC 4031411 [0,1,0,0,0,0|2,1,0]=4 32 B6R1.2 CC1CNOC1 4040895 [0,0,0,1,0,0|2,0,0]=3 33 B6R1.2 NC1CCOC1 4003522 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.2 OC1CNOC1 4044152 [0,0,0,1,0,0|1,1,0]=3 35 B6R1.6 NCC1CCC1 4003518 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.7 CCC1(N)CC1 4021535 [0,0,0,1,0,0|3,0,0]=4 37 B5R0.1 CC(N)CCO 4027026 [1,1,0,0,0,0|1,0,0]=3 38 B5R0.1 CC(O)CNN 4028962 [1,1,0,0,0,0|1,1,0]=4 39 B5R0.1 CNCC(C)O 4035012 [1,1,0,0,0,0|1,1,0]=4 40 B5R0.2 C#CCCCBr 4079721 [1,1,0,0,0,0|2,0,0]=4 41 B5R0.2 C#CCCCN 4063954 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.2 C=CCCCN 4075680 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.2 CNCCSC 4036386 [1,1,0,0,0,0|2,0,0]=4 44 B5R0.2 COCCNN 4108243 [1,1,0,0,0,0|2,0,0]=4 45 B5R0.2 NNCCCO 4085333 [1,1,0,0,0,0|1,0,0]=3 46 B7R0.2 CC(CO)CN(C)C 4027873 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.3 CCCNC(C)CO 4027950 [0,2,0,0,0,0|2,0,0]=4 48 B7R0.3 CCOCC(O)CN 4001724 [0,2,0,0,0,0|1,1,0]=4 49 B7R0.7 CCNC(C)CCO 4027124 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.7 CNCC(O)COC 4035032 [0,2,0,0,0,0|1,1,0]=4 51 B7R0.10 CCN(C)C(C)CO 4027973 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.11 CCNC(C)(C)CO 4029235 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.11 CCNC(C)(C)CO 4087910 [0,2,0,0,0,0|2,0,0]=4 54 B7R0.11 CNCC(C)(C)CO 4025868 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.11 COCC(C)(C)CN 4028135 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.14 CC(C)(O)C(O)CN 4070090 [0,2,0,0,0,0|1,1,0]=4 57 B7R0.15 CC(C)C(CN)CO 4039938 [0,2,0,0,0,0|2,0,0]=4 58 B7R0.15 CCC(CO)N(C)C 4026790 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.15 CNC(CO)C(C)C 4044773 [0,2,0,0,0,0|2,0,0]=4 60 B5R1.2 CC1CCN1 4040985 [1,0,0,1,0,0|2,0,0]=4 61 B5R1.2 FC1CNC1 4108317 [1,0,0,1,0,0|2,0,0]=4 62 B5R1.2 OC1CCC1 4034696 [1,0,0,1,0,0|1,1,0]=4 63 B5R1.2 OC1CNC1 4002252 [1,0,0,1,0,0|1,1,0]=4 64 B5R1.2 OC1CSC1 4042896 [1,0,0,1,0,0|0,1,0]=3 65 B5R1.5 CC1(N)CC1 4021534 [1,0,0,1,0,0|2,0,0]=4 66 B5R1.1 C1CNOC1 4013261 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.1 BrCC1CCOC1 4037584 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.1 N#CC1CCOC1 4036887 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.1 NCC1CCOC1 4037969 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.1 NNC1CCOC1 4055519 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.1 OCC1C=CCN1 4029232 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.1 OCC1CCNC1 4003674 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.2 N[C@@H]1CC[C@H](O)C1 4037758 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.3 BrC1CCCOC1 4032123 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.3 C[C@@H]1COCCN1 4037047 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.3 NC1CCCOC1 4018204 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.4 N[C@H]1COC[C@@H]1O 4034126 [0,1,0,1,0,0|1,1,0]=4 78 B7R1.4 O[C@@H]1CNC[C@H]1F 4068804 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.4 O[C@@H]1CNC[C@H]1O 4034532 [0,1,0,1,0,0|1,1,0]=4 80 B7R1.25 CC1(CN)COC1 4003584 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.25 CC1(CO)CSC1 4048667 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.23 CC1(C)CC1CO 4033976 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.23 OCC1CC1(F)F 4031320 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.29 NCC1(CO)CC1 4020260 [0,1,0,1,0,0|2,0,0]=4