0 B5R0.3 CC(CN)CO 4036254 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CC[C@@H](O)CN 4036900 [0,0,0,0,0,0|1,0,1]=2 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(C)CO 4028640 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 COC(C)C#N 4045776 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 COC(C)CN 4031070 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 COC(C)CO 4045600 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 CC(C)NN 4032832 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 CCC(=N)N 4012617 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 CCC(=N)N 4090083 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.2 C=C=CCN 4085485 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.2 CCCNN 4085300 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 C=CCC(O)CN 4080175 [0,1,0,0,0,0|1,0,0]=2 14 B6R0.1 CCC(C)CCN 4015078 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.1 CCC(O)CNN 4030953 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.1 CCCC(N)CC 4028240 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.1 CCCC(N)CC 4088911 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.1 CCNC(C)CC 4024881 [0,1,0,0,0,0|1,0,2]=4 19 B6R0.1 CCNC(C)CC 4089770 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.1 CCNC(C)CO 4027506 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.1 CCOC(C)CN 4029821 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.1 CNC(C)CCO 4027121 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 CNCC(C)OC 4031677 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.1 COC(C)CCN 4043534 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.1 COCC(N)CO 4030437 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.1 COCC(O)CN 4001723 [0,1,0,0,0,0|1,0,1]=3 27 B6R0.3 CC(C)C(O)CN 4038941 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.3 CNC(C)C(C)C 4027192 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.3 CNC(C)C(N)=O 4031071 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.3 COC(C)C(=O)O 4020866 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.3 CSC(C)C(=O)O 4034068 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.8 C=CC(C)(C)CO 4071188 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.8 CCC(C)(N)CC 4035688 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.9 CCC(CC)CN 4034714 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.9 CCC(CC)NC 4027066 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.9 CCC(CC)NC 4090629 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.9 CCC(CN)OC 4031411 [0,1,0,0,0,0|1,0,1]=3 38 B6R1.2 NC1CCOC1 4003522 [0,0,0,1,0,0|2,0,1]=4 39 B6R1.2 OC1CNOC1 4044152 [0,0,0,1,0,0|2,0,1]=4 40 B6R1.6 NCC1CCC1 4003518 [0,0,0,1,0,0|2,0,1]=4 41 B6R1.7 CCC1(N)CC1 4021535 [0,0,0,1,0,0|1,0,2]=4 42 B5R0.1 CC(N)CCO 4027026 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.1 CC(O)CNN 4028962 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.1 CNCC(C)O 4035012 [1,1,0,0,0,0|0,0,1]=3 45 B5R0.5 CC(C)C(=N)N 4034735 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.5 CC(C)C(=N)N 4088764 [1,1,0,0,0,0|2,0,0]=4 47 B5R0.5 CC(O)C(=N)N 4048497 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.2 C#CCCCBr 4079721 [1,1,0,0,0,0|0,0,2]=4 49 B5R0.2 C#CCCCN 4063954 [1,1,0,0,0,0|0,0,2]=4 50 B5R0.2 C=CCCCN 4075680 [1,1,0,0,0,0|0,0,0]=2 51 B5R0.2 C=CCCNC 4110731 [1,1,0,0,0,0|0,0,0]=2 52 B5R0.2 CNCCSC 4036386 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.2 COCCNN 4108243 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.2 NNCCCO 4085333 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.2 CCC(C)CC(=N)N 4012909 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.2 CCC(C)CC(=N)N 4088237 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.2 CCC(C)CC(C)=O 4031282 [0,2,0,0,0,0|1,0,1]=4 58 B7R0.2 CN(C)CC(O)CN 4030423 [0,2,0,0,0,0|1,0,1]=4 59 B7R0.3 CCOCC(O)CN 4001724 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.5 CCNC(C)C(N)=O 4030069 [0,2,0,0,0,0|2,0,0]=4 61 B7R0.5 CCNC(C)C(N)=O 4089759 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.5 CCOC(C)C(=O)O 4020873 [0,2,0,0,0,0|2,0,0]=4 63 B7R0.5 CCSC(C)C(=O)O 4028492 [0,2,0,0,0,0|2,0,0]=4 64 B7R0.5 CNCC(C)C(=O)O 4043069 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.7 CNCC(O)COC 4035032 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.10 CCC(C)C(=O)NN 4031480 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.10 CCC(C)\C(N)=N\O 4043559 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.10 CCC(N)C(=O)NC 4033837 [0,2,0,0,0,0|1,0,1]=4 69 B7R0.10 CCC(N)C(=O)NO 4045655 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.12 CCOC(CC)CN 4031082 [0,2,0,0,0,0|1,0,1]=4 71 B7R0.12 CCOC(CC)CN 4091080 [0,2,0,0,0,0|1,0,1]=4 72 B7R0.14 CC(C)(O)C(O)CN 4070090 [0,2,0,0,0,0|1,0,1]=4 73 B7R0.15 CC(C)C(CN)CO 4039938 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.15 CCC(CO)N(C)C 4026790 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.15 CCC(NC)C(N)=O 4029111 [0,2,0,0,0,0|2,0,0]=4 76 B7R0.15 CCC(OC)C(=O)O 4020880 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.15 CNC(CO)C(C)C 4044773 [0,2,0,0,0,0|1,0,1]=4 78 B5R1.2 CC1CCN1 4040985 [1,0,0,1,0,0|1,0,1]=4 79 B5R1.2 OC1CCC1 4034696 [1,0,0,1,0,0|0,0,1]=3 80 B5R1.2 OC1CNC1 4002252 [1,0,0,1,0,0|1,0,1]=4 81 B5R1.2 OC1CSC1 4042896 [1,0,0,1,0,0|1,0,1]=4 82 B5R1.5 CC1(N)CC1 4021534 [1,0,0,1,0,0|1,0,1]=4 83 B5R1.1 C1CNOC1 4013261 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.1 BrCC1CCOC1 4037584 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.1 C=CC1CCNC1 4051562 [0,1,0,1,0,0|1,0,0]=3 86 B7R1.1 CCC1=NNC=C1 4042936 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.1 CCC1C=CCN1 4030606 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.1 COC1CCNC1 4029717 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.1 N#CC1CCOC1 4036887 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.1 NCC1=CC=NO1 2102257 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.1 NCC1CCOC1 4037969 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.1 NNC1CCOC1 4055519 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.1 OCC1C=CCN1 4029232 [0,1,0,1,0,0|1,0,0]=3 94 B7R1.1 OCC1CCNC1 4003674 [0,1,0,1,0,0|1,0,1]=4 95 B7R1.2 N[C@@H]1CC[C@H](O)C1 4037758 [0,1,0,1,0,0|0,0,2]=4 96 B7R1.4 NC1CCNC1=O 4110613 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.4 N[C@H]1COC[C@@H]1O 4034126 [0,1,0,1,0,0|1,0,1]=4 98 B7R1.4 O[C@@H]1CNC[C@H]1F 4068804 [0,1,0,1,0,0|1,0,1]=4 99 B7R1.4 O[C@@H]1CNC[C@H]1O 4034532 [0,1,0,1,0,0|1,0,1]=4 100 B7R1.22 OC(CBr)C1CC1 4047731 [0,1,0,1,0,0|1,0,1]=4 101 B7R1.29 NCC1(CO)CC1 4020260 [0,1,0,1,0,0|1,0,1]=4