0 B12R2.44 O=CC1=CC=C2NCCC2=C1 AT-051/43422878 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.44 OCC1=CC=C2OCOC2=C1 AP-065/40214405 [0,0,0,0,0,0|0,0,2]=2 2 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCO2 AE-508/40226031 [0,1,0,0,0,0|0,0,0]=1 3 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCC2 AE-562/43286929 [0,1,0,0,0,0|2,0,0]=3 4 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 AE-562/40258182 [0,1,0,0,0,0|0,0,0]=1 5 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 AS-710/42568629 [0,1,0,0,0,0|3,0,0]=4 6 B13R2.430 O=C(O)C1=CC=C2N=CSC2=C1 AR-009/42290059 [0,1,0,0,0,0|1,1,1]=4 7 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 AN-584/43408344 [0,1,0,0,0,0|3,0,0]=4 8 B13R2.430 O=C([O-])C1=CC2=C(C=C1)OCO2 AE-562/43459564 [0,1,0,0,0,0|0,0,0]=1 9 B13R2.430 O=[N+]([O-])C1=CC=C2NCCC2=C1 AO-080/43377997 [0,1,0,0,0,0|3,0,0]=4 10 B13R2.599 O=CC1=C(Br)C=C2OCOC2=C1 AE-641/00346054 [0,1,0,0,0,0|0,0,0]=1 11 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 AM-807/25099016 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.279 CNC1=C(Br)C=C(C=O)C=C1 AT-051/43421254 [0,0,1,0,0,0|2,0,0]=3 13 B11R1.279 CNC1=C(Cl)C=C(C=O)C=C1 AT-051/43421150 [0,0,1,0,0,0|2,0,0]=3 14 B11R1.279 CNC1=C(I)C=C(C=O)C=C1 AT-051/43421255 [0,0,1,0,0,0|2,0,0]=3 15 B11R1.280 COC1=CC(C=O)=CC=C1O AC-907/21098004 [0,0,1,0,0,0|0,0,0]=1 16 B11R1.280 O=CC1=CC=C(O)C(C=O)=C1 AA-516/30054020 [0,0,1,0,0,0|2,0,0]=3 17 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 AR-360/40172602 [0,0,0,0,0,1|0,0,0]=1 18 B10R1.3 COC1=CC=C(C=S)C=C1 AB-131/40897145 [1,0,1,0,0,0|0,1,0]=3 19 B10R1.172 O=CC1=CC=CC(C=O)=C1 AT-051/40181211 [1,0,1,0,0,0|0,0,2]=4 20 B10R1.25 COC1=CC=C(N)C=C1Br AF-962/00506056 [1,0,1,0,0,0|2,0,0]=4 21 B10R1.176 CC1=CC=C(C=O)C=C1Br AB-131/25126042 [1,0,1,0,0,0|1,0,0]=3 22 B10R1.176 O=CC1=CC(=O)C(O)=CO1 AI-942/25034140 [1,0,1,0,0,0|1,0,1]=4 23 B10R1.176 O=CC1=CC=C(O)C(O)=C1 AR-360/40191185 [1,0,1,0,0,0|0,0,0]=2 24 B10R1.30 COC1=C(N)C=CC(Br)=C1 AN-584/11607260 [1,0,1,0,0,0|2,0,0]=4 25 B10R1.30 COC1=CC(Cl)=CC=C1N AN-584/43422715 [1,0,1,0,0,0|2,0,0]=4 26 B10R2.7 C1=CC2=C(C=C1)NCC2 AG-690/11351758 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 AH-034/32461045 [0,1,1,0,0,0|1,0,0]=3 28 B12R1.113 NCCC1=CC=C(C(=O)O)C=C1 AE-562/42531522 [0,1,1,0,0,0|2,0,0]=4 29 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 AE-562/43460135 [0,1,1,0,0,0|2,0,0]=4 30 B12R1.279 CCOC1=CC(C(=O)O)=CC=C1 AE-562/40249747 [0,1,1,0,0,0|1,0,0]=3 31 B12R1.279 CCOC1=CC(C(N)=O)=CC=C1 AE-562/43459662 [0,1,1,0,0,0|1,0,0]=3 32 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 AN-584/40427371 [0,1,1,0,0,0|1,0,0]=3 33 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 AE-641/00128055 [0,1,1,0,0,0|1,0,0]=3 34 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 AE-562/43286909 [0,1,1,0,0,0|1,0,0]=3 35 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 AE-641/00127024 [0,1,1,0,0,0|1,0,0]=3 36 B12R1.48 COC1=CC=C(C(=O)O)C=C1C AE-562/43459660 [0,1,1,0,0,0|1,0,0]=3 37 B12R1.48 COC1=CC=C(C(=O)O)C=C1I AN-329/40792233 [0,1,1,0,0,0|1,0,0]=3 38 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br AN-584/43294054 [0,1,1,0,0,0|2,0,0]=4 39 B12R1.48 COC1=CC=C(C(=O)O)N=C1Cl AN-584/43303035 [0,1,1,0,0,0|2,0,0]=4 40 B12R1.48 COC1=CC=C(C(=O)O)N=C1I AN-584/43294058 [0,1,1,0,0,0|2,0,0]=4 41 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1Br AF-962/00506057 [0,1,1,0,0,0|2,0,0]=4 42 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1C AN-584/43492793 [0,1,1,0,0,0|2,0,0]=4 43 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1N AN-652/40187552 [0,1,1,0,0,0|2,0,0]=4 44 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 AP-065/41884102 [0,1,1,0,0,0|1,0,1]=4 45 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 AH-034/32845024 [0,1,1,0,0,0|0,0,0]=2 46 B12R1.301 CNC1=C(Br)C=C(C=O)C=C1Br AT-051/43421171 [0,1,1,0,0,0|2,0,0]=4 47 B12R1.301 CNC1=C(Cl)C=C(C=O)C=C1Cl AT-051/43421157 [0,1,1,0,0,0|2,0,0]=4 48 B12R1.450 COC1=CC(O)=C(C=O)C=C1Br AE-848/30539042 [0,1,1,0,0,0|1,0,0]=3 49 B12R1.452 CN(C)C1=C(Br)C=C(C=O)C=C1 AN-584/13062409 [0,1,1,0,0,0|2,0,0]=4 50 B12R1.56 COC1=CC(C(C)=O)=CC=C1O AA-504/20839006 [0,1,1,0,0,0|0,0,0]=2 51 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1Br AE-641/00638021 [0,1,1,0,0,0|2,0,0]=4 52 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1N AQ-776/40179312 [0,1,1,0,0,0|2,0,0]=4 53 B12R1.300 CC1=CC(C=O)=CC(C=O)=C1O AE-848/30539050 [0,1,1,0,0,0|2,0,0]=4 54 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 AE-562/43346630 [0,1,1,0,0,0|0,0,0]=2 55 B12R2.246 FC1=CC(Br)=CC2=C1OCO2 AN-584/43471644 [1,1,0,0,0,0|1,0,0]=3 56 B14R2.781 O=C(O)C1=CC2=C(C=C1)CCCC2 AE-562/43286930 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.601 CC1CC2=CC(C(=O)O)=CC=C2O1 AO-080/43404983 [0,2,0,0,0,0|1,0,0]=3 58 B14R2.601 O=C(O)C1=CC2=C(C=C1)OC(S)=N2 AG-205/14378040 [0,2,0,0,0,0|1,0,1]=4 59 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 AP-065/41718246 [0,2,0,0,0,0|0,0,0]=2