0 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F 5113 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.612 c1cc2c(cc1N)CCC2=O A2089 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.612 c1cc2c(cc1N)COC2=O A0079 [0,0,0,0,0,0|2,0,1]=3 3 B11R2.36 C1=CC(=CC2=C1C=CN2)F 10188 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.36 C1=CC(=CC2=C1C=CN2)F 8532 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.36 C1=CC2=C(C=CN2)C=C1F 8339 [1,0,0,0,0,0|2,0,1]=4 6 B11R2.36 C1CNC2=C1C=C(C=C2)Cl 9578 [1,0,0,0,0,0|2,1,0]=4 7 B11R2.36 c1cc2c(cc1F)CCN2 F1286 [1,0,0,0,0,0|2,0,0]=3 8 B11R2.36 c1cc2c(cc[nH]2)cc1F F0451 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.2130 C1C2=C(C=CC(=C2)C#N)C(=O)O1 8410 [0,1,0,0,0,0|2,0,1]=4 10 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O 10367 [0,1,0,0,0,0|1,0,2]=4 11 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O 9896 [0,1,0,0,0,0|1,0,2]=4 12 B13R2.11642 C1CC(=O)C2=C1C=C(C=C2F)F D1892 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.22 COC(=O)C1=CC=C(C=C1)N 6641 [0,0,1,0,0,0|2,0,1]=4 14 B11R1.24 C1=CC(=CC(=C1)F)CN=C=S 9469 [0,0,1,0,0,0|2,1,0]=4 15 B11R1.166 B(C1=C(C=C(C=C1)Cl)Cl)(O)O 9953 [0,0,1,0,0,0|1,1,0]=3 16 B11R1.166 B(C1=C(C=C(C=C1)F)F)(O)O 5014 [0,0,1,0,0,0|1,0,0]=2 17 B11R1.166 B(C1=C(C=C(C=C1)F)F)(O)O 9885 [0,0,1,0,0,0|1,0,0]=2 18 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 6240 [0,0,1,0,0,0|2,0,1]=4 19 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 9681 [0,0,1,0,0,0|2,0,1]=4 20 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O 5349 [0,0,1,0,0,0|2,0,1]=4 21 B11R1.166 C1=CC(=C(C=C1F)N)C(=O)O 10307 [0,0,1,0,0,0|2,0,1]=4 22 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O 10616 [0,0,1,0,0,0|1,1,1]=4 23 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O 5555 [0,0,1,0,0,0|1,1,1]=4 24 B11R1.166 CC1=C(C=CC(=C1)F)[N+](=O)[O-] 6095 [0,0,1,0,0,0|1,0,2]=4 25 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O 9034 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.13 B(C1=CC=C(C=C1)Br)(O)O 5360 [1,0,1,0,0,0|0,1,0]=3 27 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [1,0,1,0,0,0|1,0,0]=3 28 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [1,0,1,0,0,0|1,0,0]=3 29 B10R1.13 B(C1=CC=C(C=C1)F)(O)O 6296 [1,0,1,0,0,0|0,0,0]=2 30 B10R1.13 B(C1=CC=C(C=C1)O)(O)O 6782 [1,0,1,0,0,0|1,0,0]=3 31 B10R1.13 B(C1=CN=C(C=C1)F)(O)O 5214 [1,0,1,0,0,0|1,0,0]=3 32 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [1,0,1,0,0,0|1,0,1]=4 33 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [1,0,1,0,0,0|1,0,1]=4 34 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [1,0,1,0,0,0|1,0,0]=3 35 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.10 C1=CC(=CC(=C1)F)CC#N 9476 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.10 CC1=CC(=CC=C1)CCO 8299 [1,0,1,0,0,0|2,0,0]=4 38 B10R1.25 C1=CC(=C(C=C1F)F)CO 5619 [1,0,1,0,0,0|2,0,0]=4 39 B10R1.25 CC1=C(C=CC(=C1)F)C#N 8797 [1,0,1,0,0,0|2,0,0]=4 40 B10R1.25 COC1=C(C=C(C=C1)F)O 6489 [1,0,1,0,0,0|2,0,0]=4 41 B10R1.25 Cc1cc(ccc1CN)F F0029 [1,0,1,0,0,0|2,0,0]=4 42 B10R1.30 C1=CC(=C(C=C1F)C=O)O 10080 [1,0,1,0,0,0|0,0,2]=4 43 B10R1.30 C1=CC(=C(C=C1F)CBr)Br 9632 [1,0,1,0,0,0|2,0,0]=4 44 B10R1.30 C1=CC(=C(C=C1F)CBr)F 8216 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.30 C1=CC(=C(C=C1F)CCl)F 9199 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.30 C1=CC(=C(C=C1F)CN)F 6209 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.30 C1=CC(=C(C=C1F)CO)Br 8036 [1,0,1,0,0,0|1,0,0]=3 48 B10R1.30 C1=CC(=C(C=C1F)CO)F 6070 [1,0,1,0,0,0|1,0,0]=3 49 B10R1.30 CC1=C(C=C(C=C1)F)CBr 8570 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.30 c1cc(c(cc1F)CBr)Cl C0029 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.61 B(C1=CC=CC=C1Br)(O)O 10442 [1,0,1,0,0,0|1,0,0]=3 52 B10R1.61 B(C1=CC=CC=C1C)(O)O 5424 [1,0,1,0,0,0|0,0,0]=2 53 B10R1.61 B(C1=CC=CC=C1Cl)(O)O 6452 [1,0,1,0,0,0|1,0,0]=3 54 B10R1.61 B(C1=CC=CC=C1F)(O)O 6401 [1,0,1,0,0,0|1,0,0]=3 55 B10R1.61 B(C1=CC=CC=C1F)(O)O 9224 [1,0,1,0,0,0|1,0,0]=3 56 B10R2.7 c1ccc2c(c1)CCC2 I009 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F 5606 [0,1,1,0,0,0|1,0,1]=4 58 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)F 6408 [0,1,1,0,0,0|1,0,1]=4 59 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)N 6770 [0,1,1,0,0,0|1,0,1]=4 60 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC 10692 [0,1,1,0,0,0|1,0,1]=4 61 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl 5134 [0,1,1,0,0,0|1,0,1]=4