0 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 4034699 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.189 CNCC1=CC(OC)=CC=C1 4004535 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.189 CNCC1=CC(OC)=CC=C1 4087815 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.189 CNCC1=CC(SC)=CC=C1 4002913 [1,0,0,0,0,0|2,1,0]=4 4 B11R1.189 CNCC1=NC=CC(OC)=C1 4088040 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.189 COC1=CC(CNN)=CC=C1 4015018 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.192 CCNC1=CC=C(Br)C(C)=C1 4029408 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 4004512 [0,1,0,0,0,0|2,0,0]=3 8 B13R1.386 COC1=CC=C(CNN)C=C1OC 4110605 [0,1,0,0,0,0|1,0,0]=2 9 B13R2.449 CNCC1=CC2=C(C=C1)OCO2 4015017 [0,0,0,1,0,0|2,0,0]=3 10 B13R2.449 NNCC1=CC=C2OCOC2=C1 4014997 [0,0,0,1,0,0|1,0,0]=2 11 B13R2.449 S=C=NC1=CC2=C(C=C1)OCO2 3005197 [0,0,0,1,0,0|2,0,1]=4 12 B10R1.10 CC1=CC=CC(CCN)=N1 4002941 [2,0,0,0,0,0|1,0,0]=3 13 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [2,0,0,0,0,0|1,0,0]=3 14 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [2,0,0,0,0,0|1,0,0]=3 15 B10R1.10 CC1=NC(CCBr)=CC=C1 4030426 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.10 NCCC1=CC(O)=NC=N1 4034682 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.10 NNCC1=CC=CC(Cl)=C1 4015030 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.172 COC1=CC(CCl)=NC=C1 4016648 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.172 CSC1=CC=CC(CN)=C1 4002912 [2,0,0,0,0,0|0,1,0]=3 21 B10R1.172 N#CC1=CC(CN)=CC=C1 4044429 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.172 NCC1=CC=CC(CO)=C1 4035214 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.1 NNCC1=CC=C(Cl)C=C1 4014992 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.1 NNCC1=CC=C(Cl)C=C1 4108287 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.1 NNCC1=CC=C(F)C=C1 4014991 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.1 NOCC1=CC=C(Cl)C=C1 4004196 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.176 CC1=C(C)N=CC(CN)=C1 4035699 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.176 OCC1=NC=C(O)C(O)=C1 4001621 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.30 CCC1=NC(C)=CC=C1O 5170366 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [2,0,0,0,0,0|0,0,0]=2 39 B10R1.30 N#CC1=C(O)C=CC(N)=C1 4044158 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.278 CCOC1=CC=CC(CNC)=C1 4089403 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.278 CCOC1=CC=CC(CNC)=C1 9070811 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.382 CCNCC1=CC(OC)=CC=C1 4090705 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.382 CCNCC1=CC(OC)=CC=C1 5545112 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.382 COC1=CC(CCCN)=CC=C1 4101633 [1,1,0,0,0,0|0,0,0]=2 45 B12R1.382 COC1=CC(OCCCl)=CC=C1 9071216 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.382 COC1=CC=CC(OCCBr)=C1 5471033 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.435 CNC(C)C1=CC(OC)=CC=C1 4004540 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.435 COC1=CC(C(=O)NN)=CC=C1 4045138 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.435 COC1=CC=CC(C(O)CN)=N1 4110619 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.288 CNCC1=CC(O)=C(OC)C=C1 9070925 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4032465 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4088468 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.367 CC[C@@H](N)C1=CC=C(C)C(C)=C1 4093962 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.367 CC[C@H](N)C1=CC=C(C)C(C)=C1 4092259 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.385 CC1=C(C)C=C(OCCN)C=C1 4089285 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.385 CC1=C(C)C=C(OCCN)C=C1 6679953 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 4027897 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.654 COC1=C(C)C(CN)=NC=C1C 4030682 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.1864 CCC(N)C1=CC(OC)=C(OC)C=C1 4032810 [0,2,0,0,0,0|1,0,0]=3 60 B14R1.1864 CCC(N)C1=CC(OC)=C(OC)C=C1 4090843 [0,2,0,0,0,0|1,0,0]=3 61 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 4012624 [0,2,0,0,0,0|0,0,1]=3 62 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 4090941 [0,2,0,0,0,0|0,0,1]=3 63 B14R1.6787 CCOC1=CC(CNC)=CC=C1OC 4090546 [0,2,0,0,0,0|2,0,0]=4 64 B14R1.6787 CCOC1=CC(CNC)=CC=C1OC 5563263 [0,2,0,0,0,0|2,0,0]=4 65 B14R1.793 COC1=CC=C(CCCN)C=C1OC 4001946 [0,2,0,0,0,0|0,0,0]=2 66 B14R1.42 COC1=C(C)C=CC(CCC(=O)O)=C1 6524773 [0,2,0,0,0,0|2,0,0]=4 67 B14R2.82 COC1=CC2=C(C=C1C=O)CCC2 4015064 [0,1,0,1,0,0|1,0,1]=4 68 B14R2.991 N#CCOC1=CC=C2OCOC2=C1 4028128 [0,1,0,1,0,0|0,0,2]=4