0 B10R1.172 C#CC1=CC(C=O)=CC=C1 4031050 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.172 COC1=CC(CCl)=NC=C1 4016648 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.172 COC1=CC=NC(NN)=N1 4035787 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.172 COC1=NC=CC(C=O)=C1 4029564 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.172 CSC1=CC=CC(C=O)=C1 4002911 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.172 CSC1=CC=CC(CN)=C1 4002912 [0,0,0,0,0,0|2,1,0]=3 6 B10R1.172 CSC1=NC=CC(C#N)=C1 4032981 [0,0,0,0,0,0|3,1,0]=4 7 B10R1.172 N#CC1=CC(CN)=CC=C1 4044429 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.172 NCC1=CC=CC(CO)=C1 4035214 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.2 C#CC1=CC(C)=CC=N1 4035992 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.2 C#CC1=CC=CC(C)=N1 4036372 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.2 C=CC1=CC=CC(O)=C1 4081750 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.2 CC1=CC(CN)=NC=C1 4018186 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.2 CC1=CC(NN)=NC=C1 4085298 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 CC1=CC=CC(CCl)=N1 4006197 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 CC1=CC=CC(CCl)=N1 4087831 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.2 CC1=CC=CC(CN)=N1 4102566 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.2 CC1=CC=CC(NN)=N1 4033592 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.2 CC1=NC=CC(CCl)=C1 4046381 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.2 CC1=NC=CC(CN)=C1 4019509 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.2 CC1=NC=CC(NN)=C1 4019583 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.2 CCC1=CC(O)=NC=N1 4038765 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.2 COC1=CC(Cl)=NC=N1 4016719 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.2 CSC1=NC(Cl)=CC=C1 4030827 [1,0,0,0,0,0|2,1,0]=4 24 B11R1.189 CCOC1=CC(C=O)=CC=C1 3002619 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.189 CNCC1=CC(OC)=CC=C1 4004535 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.189 CNCC1=CC(OC)=CC=C1 4087815 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.189 CNCC1=CC(SC)=CC=C1 4002913 [0,1,0,0,0,0|1,1,0]=3 28 B11R1.189 CNCC1=NC=CC(OC)=C1 4088040 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.189 COC1=CC(CNN)=CC=C1 4015018 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.266 COC1=CC=CC(B(O)O)=C1 4200602 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.267 CCC1=CC=CC(CC)=C1O 4030293 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.280 COC1=NC=C(F)C(CO)=C1 4098887 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.4 CC1=CC(O)=NN=C1 4108288 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.4 CC1=CC=NC(O)=N1 4040424 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.4 CC1=CC=NC(O)=N1 4089730 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.4 CC1=NC=CC(Br)=C1 4014101 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.2 COC1=C(Br)C(C)=NC=N1 4048808 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.10 CC1=CC=CC(CCN)=N1 4002941 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.10 CC1=NC(CCBr)=CC=C1 4030426 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.10 COCC1=CC(O)=NC=N1 4038620 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.30 CCC1=C(Br)C=CC(O)=C1 4054989 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.30 CCC1=C(N)C=CC(I)=C1 9071544 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.30 CCC1=CC(Cl)=CC=C1N 4040870 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.30 CCC1=NC(C)=CC=C1O 5170366 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.113 CC(C)C1=CC=CC(Br)=C1 4045144 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.113 CC(C)C1=CC=CC(O)=N1 4039550 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.113 CC1=CC(B(O)O)=CC=C1 4200594 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.113 CC1=CC(C(C)N)=NC=C1 4033261 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.113 CC1=CC=CC(C(C)N)=N1 4034468 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 4098754 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.176 COC1=CC=C(N)C(F)=C1 4030309 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.176 COC1=CC=C(N)C(F)=C1 4088880 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.11 COC1=CC(C(=O)O)=CC(O)=C1 4109664 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.11 COC1=CC(N)=CC([N+](=O)[O-])=C1 4009255 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.278 CCOC1=CC=CC(CNC)=C1 4089403 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.278 CCOC1=CC=CC(CNC)=C1 9070811 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.279 CCOC1=CC(C(=O)O)=CC=C1 3002116 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.279 CCOC1=CC(C(C)=O)=CC=C1 3000300 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.279 CCOC1=CC=CC([C@@H](C)N)=C1 4106802 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.279 CCOC1=CC=CC([C@H](C)N)=C1 4095793 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.279 COCC1=CC(C(=O)O)=CC=C1 4027056 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 4034699 [0,2,0,0,0,0|1,0,1]=4 72 B12R1.382 C#CCOC1=CC=CC(C=O)=C1 4015104 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.382 C=CCOC1=CC(CO)=CC=C1 9071268 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.382 CCCOC1=CC(C=O)=CC=C1 3005062 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.382 CCCOC1=CC(CN)=CC=C1 4027733 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.382 CCCOC1=CC(CN)=CC=C1 4090700 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.382 CCCOC1=CC(CO)=CC=C1 9071828 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.382 CCNCC1=CC(OC)=CC=C1 4090705 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.382 CCNCC1=CC(OC)=CC=C1 5545112 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.382 COC1=CC(CCCN)=CC=C1 4101633 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.382 COC1=CC(OCCCl)=CC=C1 9071216 [0,2,0,0,0,0|0,0,0]=2 82 B12R1.382 COC1=CC=CC(OCCBr)=C1 5471033 [0,2,0,0,0,0|0,0,0]=2 83 B12R1.435 CNC(C)C1=CC(OC)=CC=C1 4004540 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.435 COC1=CC(C(=O)NN)=CC=C1 4045138 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.435 COC1=CC=CC(C(O)CN)=N1 4110619 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.438 CC(C)OC1=CC(CN)=CC=C1 4027994 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.438 CC(C)OC1=CC=CC(C=O)=C1 4302400 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 4027897 [0,2,0,0,0,0|2,0,0]=4 89 B12R2.44 COC1=CC=C2C=CNC2=C1 4036833 [0,1,0,1,0,0|1,0,1]=4 90 B12R2.44 NNC1=CC=C2OCOC2=C1 4003163 [0,1,0,1,0,0|2,0,0]=4 91 B12R2.315 COC1=C2C=CNC2=CC=C1 4036775 [0,1,0,1,0,0|1,0,1]=4