0 B9R1.69 CC1=C(C)N=CC(O)=C1 4042425 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 CC1=CN=C(C)C=C1Cl 4055511 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 CC1=CN=C(N)C(C)=C1 4043653 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.69 CC1=NC=C(Cl)C(O)=N1 4047922 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=NNC(=O)C(Br)=C1 4040475 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.69 NC1=C(F)N=CC(Cl)=C1 4041624 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 NC1=CC(Br)=CN=C1Cl 4108308 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.3 BrC1=CN=C(I)C=C1 4045186 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.3 CC1=CN=C(N)N=C1 5264664 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.3 CC1=CN=C(O)N=C1 4044366 [1,0,0,0,0,0|1,0,2]=4 10 B8R1.3 CC1=NNC(=O)CC1 3003063 [1,0,0,0,0,0|1,0,2]=4 11 B8R1.3 NC1=CC=C(I)C=N1 3001813 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.3 OC1=CC=C(O)N=C1 4030644 [1,0,0,0,0,0|1,0,2]=4 13 B8R1.4 CC1=CC(O)=NN=C1 4108288 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.4 CC1=CC=NC(O)=N1 4040424 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.4 CC1=CC=NC(O)=N1 4089730 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.4 CC1=NC=CC(Br)=C1 4014101 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.4 NC1=CC(Br)=CN=C1 4006048 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.4 OC1=NC(Cl)=CN=C1 4042614 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.5 NC1=CC=CN=C1O 4034758 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.22 CC1=CC(N)=C(N)C(C)=C1 4031189 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.25 NCC1=C(O)C=C(O)C=C1 4026995 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.118 CC1=C(C)C=C(O)C(N)=C1 4030316 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.118 CC1=C(C)NC(=O)C(Br)=C1 4041109 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.118 CC1=C(C)NC(=O)C(N)=C1 4041366 [0,1,0,0,0,0|1,0,0]=2 29 B10R1.118 CC1=C(Cl)C=C(N)C(N)=C1 4043707 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.118 CC1=C(F)C=C(N)C(N)=C1 4086897 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.118 CC1=C(O)C=C(F)C(Br)=C1 4064018 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.118 CC1=CC(=O)C(O)=CN1C 4045527 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.118 CC1=NC(C)=C(C)C=C1N 4086097 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.119 CC1=C(O)C(Br)=CC=C1F 4061539 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.119 CC1=CC=C(N)C(O)=C1C 4033632 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.176 CC1=C(C)N=CC(CN)=C1 4035699 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.176 COC1=CC=C(N)C(F)=C1 4030309 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.176 COC1=CC=C(N)C(F)=C1 4088880 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.176 OCC1=NC=C(O)C(O)=C1 4001621 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.8 CCCNC(=O)C(=O)O 4027289 [0,0,1,0,0,0|1,0,2]=4 44 B8R1.18 CC1=NC(Br)=C(C)N1 4033842 [0,0,0,0,1,0|3,0,0]=4 45 B8R1.50 CC1=NNC(=O)C1C 4042832 [0,0,0,0,1,0|2,0,1]=4 46 B8R1.50 CC1=NNC(C)=C1C 4033681 [0,0,0,0,1,0|3,0,0]=4 47 B8R1.50 CC1=NNC(C)=C1N 4029772 [0,0,0,0,1,0|3,0,0]=4 48 B8R1.50 CC1=NNC(C)=C1O 4045445 [0,0,0,0,1,0|2,0,0]=3 49 B8R1.50 CC1=NNC(N)=C1C 4002017 [0,0,0,0,1,0|3,0,0]=4 50 B8R1.50 CC1=NNC(N)=C1N 4023568 [0,0,0,0,1,0|3,0,0]=4 51 B9R1.1 C#CC1=CC=C(C)C=N1 4035578 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.1 CC1=CN=C(C=O)C=N1 4039255 [1,1,0,0,0,0|1,0,1]=4 53 B9R1.1 CSC1=CN=C(Br)C=C1 4028893 [1,1,0,0,0,0|1,0,1]=4 54 B9R1.1 N#CC1=COC(=O)C=C1 4076346 [1,1,0,0,0,0|1,0,1]=4 55 B9R1.2 C=CC1=CC=CC(O)=C1 4081750 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.3 CC1=C(F)C(Br)=CC=C1 4108313 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.3 CC1=CC=CC(N)=C1O 4027492 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.3 CC1=CC=CC(N)=C1O 4090457 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.15 CCC1=NC=CNC1=O 4045735 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.15 COC1=C(Cl)N=CC=C1 4034759 [1,1,0,0,0,0|1,0,1]=4 61 B9R1.15 O=C1NC=CC=C1CO 4021172 [1,1,0,0,0,0|0,0,0]=2 62 B9R1.22 CC1=CC(C#N)=C(C)N1 4042899 [0,1,0,0,1,0|2,0,0]=4 63 B9R1.22 CC1=CC(C=O)=C(C)N1 4027546 [0,1,0,0,1,0|1,0,1]=4 64 B9R1.22 CC1=CC(CO)=C(C)O1 4034575 [0,1,0,0,1,0|2,0,0]=4 65 B9R1.37 CC1=C(C)N(C)C(=O)N1 4045632 [0,1,0,0,1,0|2,0,0]=4 66 B9R1.27 CC1=NNC(C)=C1CO 4041514 [0,1,0,0,1,0|2,0,0]=4 67 B9R1.132 CC1=NNC(C=O)=C1Br 4040849 [0,1,0,0,1,0|2,0,0]=4 68 B9R1.132 CC1=NNC(C=O)=C1Cl 4041306 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.37 COC1=CC(C)=CC=C1C=O 4004828 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.278 CC1=C(Cl)C(Cl)=C(C=O)C=C1 4045123 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.278 CC1=CNC(CCl)=C(C)C1=O 4033440 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.278 CC1=CNC(CCl)=C(C)C1=O 4090055 [0,2,0,0,0,0|2,0,0]=4 73 B11R1.278 CC1=CNC(CN)=C(C)C1=O 4032776 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.167 CC1=CC(B(O)O)=C(Cl)N=C1 4041688 [0,2,0,0,0,0|1,0,1]=4 75 B11R1.167 CC1=CC=C(C)C(B(O)O)=C1 4003297 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.35 CC1=CNC(C(=O)O)=N1 4401881 [0,0,1,1,0,0|2,0,0]=4 77 B7R1.2 CC1=NNC(Br)=C1 4074511 [1,0,0,0,1,0|2,0,0]=4 78 B7R1.2 CC1=NNC(Cl)=C1 4029847 [1,0,0,0,1,0|2,0,0]=4 79 B7R1.4 CC1=CNN=C1O 4043114 [1,0,0,0,1,0|1,0,0]=3 80 B7R1.4 CC1=NNC=C1Cl 4045387 [1,0,0,0,1,0|2,0,0]=4