0 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 4034699 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.189 CCCC1=NC=CC(C#N)=C1 4040617 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.189 CCOC1=CC(C=O)=CC=C1 3002619 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.189 CNCC1=CC(OC)=CC=C1 4004535 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.189 CNCC1=CC(OC)=CC=C1 4087815 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.189 CNCC1=CC(SC)=CC=C1 4002913 [1,0,0,0,0,0|1,1,0]=3 6 B11R1.189 CNCC1=NC=CC(OC)=C1 4088040 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.189 COC1=CC(CNN)=CC=C1 4015018 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.192 CCNC1=CC=C(Br)C(C)=C1 4029408 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.192 CCOC1=CC=C(N)C(F)=C1 4030157 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.386 CNCC1=CC(OC)=C(OC)C=C1 4004512 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.386 COC1=CC=C(CNN)C=C1OC 4110605 [0,1,0,0,0,0|2,0,0]=3 12 B13R2.449 CNCC1=CC2=C(C=C1)OCO2 4015017 [0,0,0,1,0,0|1,0,0]=2 13 B13R2.449 NNCC1=CC=C2OCOC2=C1 4014997 [0,0,0,1,0,0|2,0,0]=3 14 B13R2.449 S=C=NC1=CC2=C(C=C1)OCO2 3005197 [0,0,0,1,0,0|2,0,1]=4 15 B10R1.10 CC1=CC=CC(CCN)=N1 4002941 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.10 CC1=NC(CCBr)=CC=C1 4030426 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.172 COC1=CC(CCl)=NC=C1 4016648 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.172 CSC1=CC=CC(CN)=C1 4002912 [2,0,0,0,0,0|1,1,0]=4 22 B10R1.1 CCSC1=CC=C(N)C=C1 4027323 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.1 CCSC1=CC=C(N)C=C1 4088201 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.176 OCC1=NC=C(O)C(O)=C1 4001621 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.30 CCC1=NC(C)=CC=C1O 5170366 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.278 CCOC1=CC=CC(CNC)=C1 4089403 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.278 CCOC1=CC=CC(CNC)=C1 9070811 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.279 CCOC1=CC(C(C)=O)=CC=C1 3000300 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.279 CCOC1=CC=CC([C@@H](C)N)=C1 4106802 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.279 CCOC1=CC=CC([C@H](C)N)=C1 4095793 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.382 CCCOC1=CC(C=O)=CC=C1 3005062 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.382 CCCOC1=CC(CN)=CC=C1 4027733 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.382 CCCOC1=CC(CN)=CC=C1 4090700 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.382 CCCOC1=CC(CO)=CC=C1 9071828 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.382 CCNCC1=CC(OC)=CC=C1 4090705 [1,1,0,0,0,0|0,0,0]=2 44 B12R1.382 CCNCC1=CC(OC)=CC=C1 5545112 [1,1,0,0,0,0|0,0,0]=2 45 B12R1.382 COC1=CC(CCCN)=CC=C1 4101633 [1,1,0,0,0,0|0,0,0]=2 46 B12R1.382 COC1=CC(OCCCl)=CC=C1 9071216 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.382 COC1=CC=CC(OCCBr)=C1 5471033 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.435 CNC(C)C1=CC(OC)=CC=C1 4004540 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.435 COC1=CC=CC(C(O)CN)=N1 4110619 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.288 CNCC1=CC(O)=C(OC)C=C1 9070925 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.367 CCC(=O)C1=CC=C(C)C(C)=C1 4303058 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4032465 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4088468 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.367 CC[C@@H](N)C1=CC=C(C)C(C)=C1 4093962 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.367 CC[C@H](N)C1=CC=C(C)C(C)=C1 4092259 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.385 CC1=C(C)C=C(OCCN)C=C1 4089285 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.385 CC1=C(C)C=C(OCCN)C=C1 6679953 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 4027897 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.1864 CCC(N)C1=CC(OC)=C(OC)C=C1 4032810 [0,2,0,0,0,0|0,0,0]=2 60 B14R1.1864 CCC(N)C1=CC(OC)=C(OC)C=C1 4090843 [0,2,0,0,0,0|0,0,0]=2 61 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 4012624 [0,2,0,0,0,0|1,0,1]=4 62 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 4090941 [0,2,0,0,0,0|1,0,1]=4 63 B14R1.6787 CCOC1=CC(CNC)=CC=C1OC 4090546 [0,2,0,0,0,0|1,0,0]=3 64 B14R1.6787 CCOC1=CC(CNC)=CC=C1OC 5563263 [0,2,0,0,0,0|1,0,0]=3 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|1,0,1]=4 67 B12R2.44 NNC1=CC2=C(C=C1)CCC2 4011144 [1,0,0,1,0,0|2,0,0]=4 68 B12R2.44 NNC1=CC2=C(C=C1)CCC2 4089943 [1,0,0,1,0,0|2,0,0]=4 69 B14R2.82 COC1=CC2=C(C=C1C=O)CCC2 4015064 [0,1,0,1,0,0|0,0,1]=3 70 B14R2.991 N#CCOC1=CC=C2OCOC2=C1 4028128 [0,1,0,1,0,0|1,0,1]=4