0 B5R1.1 C1CNOC1 4013261 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.2 CC1CNOC1 4040895 [0,1,0,0,0,0|1,0,0]=2 2 B6R1.2 NC1CCOC1 4003522 [0,1,0,0,0,0|1,0,0]=2 3 B6R1.2 OC1CNOC1 4044152 [0,1,0,0,0,0|1,0,0]=2 4 B4R0.2 C=C=CCN 4085485 [0,0,1,0,0,0|0,0,3]=4 5 B4R0.2 CCCNN 4085300 [0,0,1,0,0,0|1,0,0]=2 6 B6R1.1 C1=CCONC1 4044151 [0,0,0,0,0,1|0,0,2]=3 7 B6R1.1 C1CCONC1 4013260 [0,0,0,0,0,1|0,0,0]=1 8 B5R0.1 C=C(C)CNN 4045392 [0,1,1,0,0,0|1,0,1]=4 9 B5R0.1 CC(N)CCO 4027026 [0,1,1,0,0,0|1,0,0]=3 10 B5R0.1 CC(O)CNN 4028962 [0,1,1,0,0,0|1,0,0]=3 11 B5R0.1 CNCC(C)O 4035012 [0,1,1,0,0,0|0,0,0]=2 12 B5R0.1 COCC(=N)N 4018503 [0,1,1,0,0,0|1,0,1]=4 13 B5R0.1 NC(=O)CCO 4070037 [0,1,1,0,0,0|1,0,1]=4 14 B5R0.1 NCCC(N)=O 4034723 [0,1,1,0,0,0|1,0,1]=4 15 B5R0.2 C#CCCCBr 4079721 [0,1,1,0,0,0|1,0,1]=4 16 B5R0.2 C#CCCCN 4063954 [0,1,1,0,0,0|0,0,1]=3 17 B5R0.2 C=CCCCN 4075680 [0,1,1,0,0,0|0,0,1]=3 18 B5R0.2 C=CCCNC 4110731 [0,1,1,0,0,0|0,0,1]=3 19 B5R0.2 CNCCSC 4036386 [0,1,1,0,0,0|0,0,0]=2 20 B5R0.2 COCCNN 4108243 [0,1,1,0,0,0|1,0,0]=3 21 B5R0.2 NNCCCO 4085333 [0,1,1,0,0,0|1,0,0]=3 22 B5R0.3 CC(CN)CO 4036254 [0,1,1,0,0,0|1,0,0]=3 23 B5R0.3 CC[C@@H](O)CN 4036900 [0,1,1,0,0,0|0,0,0]=2 24 B5R0.3 CNC(=O)CBr 4023689 [0,1,1,0,0,0|1,0,1]=4 25 B5R0.3 CNC(=O)CCl 4031514 [0,1,1,0,0,0|1,0,1]=4 26 B5R0.3 CNC(=O)CN 4030580 [0,1,1,0,0,0|1,0,1]=4 27 B5R0.3 CNC(=O)CO 4032781 [0,1,1,0,0,0|1,0,1]=4 28 B5R0.3 CNC(C)CO 4028640 [0,1,1,0,0,0|1,0,0]=3 29 B5R0.3 COC(C)CN 4031070 [0,1,1,0,0,0|1,0,0]=3 30 B5R0.3 COC(C)CO 4045600 [0,1,1,0,0,0|2,0,0]=4 31 B5R1.2 CC1CCN1 4040985 [0,1,0,0,1,0|0,0,0]=2 32 B5R1.2 FC1CNC1 4108317 [0,1,0,0,1,0|0,0,0]=2 33 B5R1.2 OC1CCC1 4034696 [0,1,0,0,1,0|0,0,0]=2 34 B5R1.2 OC1CNC1 4002252 [0,1,0,0,1,0|0,0,0]=2 35 B5R1.2 OC1CSC1 4042896 [0,1,0,0,1,0|1,0,0]=3 36 B7R1.3 BrC1CCCOC1 4032123 [0,1,0,0,0,1|1,0,0]=3 37 B7R1.3 CC1=CCNCC1 4036573 [0,1,0,0,0,1|0,0,1]=3 38 B7R1.3 CC1CNCCO1 4019021 [0,1,0,0,0,1|0,0,0]=2 39 B7R1.3 C[C@@H]1COCCN1 4037047 [0,1,0,0,0,1|0,0,0]=2 40 B7R1.3 C[C@H]1CNCCO1 4038541 [0,1,0,0,0,1|0,0,0]=2 41 B7R1.3 NC1CCCOC1 4018204 [0,1,0,0,0,1|1,0,0]=3 42 B7R1.3 O=C1CCCSC1 4021743 [0,1,0,0,0,1|1,0,0]=3 43 B7R1.3 O=C1CNCCN1 4102110 [0,1,0,0,0,1|0,0,1]=3 44 B7R1.3 O=C1NCCCO1 4035958 [0,1,0,0,0,1|0,0,1]=3 45 B7R1.1 BrCC1CCOC1 4037584 [0,2,0,0,0,0|1,0,0]=3 46 B7R1.1 C=CC1CCNC1 4051562 [0,2,0,0,0,0|0,0,0]=2 47 B7R1.1 CCC1C=CCN1 4030606 [0,2,0,0,0,0|0,0,2]=4 48 B7R1.1 CCC1CCNC1 4018760 [0,2,0,0,0,0|0,0,0]=2 49 B7R1.1 COC1CCNC1 4029717 [0,2,0,0,0,0|0,0,0]=2 50 B7R1.1 N#CC1CCOC1 4036887 [0,2,0,0,0,0|1,0,0]=3 51 B7R1.1 NCC1CCCC1 4018103 [0,2,0,0,0,0|1,0,0]=3 52 B7R1.1 NCC1CCCC1 4110554 [0,2,0,0,0,0|1,0,0]=3 53 B7R1.1 NCC1CCOC1 4037969 [0,2,0,0,0,0|1,0,0]=3 54 B7R1.1 NNC1CCOC1 4055519 [0,2,0,0,0,0|1,0,0]=3 55 B7R1.1 OCC1C=CCN1 4029232 [0,2,0,0,0,0|0,0,2]=4 56 B7R1.1 OCC1CCNC1 4003674 [0,2,0,0,0,0|0,0,0]=2 57 B7R1.2 CC1CNC(=O)C1 4026755 [0,2,0,0,0,0|0,0,1]=3 58 B7R1.2 CC1CNC(=O)O1 4043936 [0,2,0,0,0,0|1,0,1]=4 59 B7R1.2 CC1COC(=O)N1 4045335 [0,2,0,0,0,0|1,0,1]=4 60 B7R1.2 CN1CCC(N)C1 4035974 [0,2,0,0,0,0|0,0,0]=2 61 B7R1.2 N[C@@H]1CC[C@H](O)C1 4037758 [0,2,0,0,0,0|1,0,0]=3 62 B7R1.4 NC1CCNC1=O 4110613 [0,2,0,0,0,0|0,0,1]=3 63 B7R1.4 N[C@H]1COC[C@@H]1O 4034126 [0,2,0,0,0,0|1,0,0]=3 64 B7R1.4 O[C@@H]1CNC[C@H]1F 4068804 [0,2,0,0,0,0|0,0,0]=2 65 B7R1.4 O[C@@H]1CNC[C@H]1O 4034532 [0,2,0,0,0,0|0,0,0]=2 66 B7R1.14 CC1(C)CCCN1 4020218 [0,2,0,0,0,0|0,0,0]=2 67 B7R1.14 CC1(C)CCNC1 4018853 [0,2,0,0,0,0|0,0,0]=2 68 B7R1.14 CC1(N)CCCC1 4017355 [0,2,0,0,0,0|1,0,0]=3