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|3,0,1]=4 3 B11R2.1 C1=CC2=C(NN=C2C=C1)Br 9942 [1,0,0,0,0,0|1,0,2]=4 4 B11R2.1 c1ccn2c(c1)nnc2N T2938 [1,0,0,0,0,0|2,0,1]=4 5 B11R2.36 C1=CC(=CC2=C1C=CN2)Br 10604 [1,0,0,0,0,0|1,1,0]=3 6 B11R2.36 C1=CC(=CC2=C1C=CN2)Br 6492 [1,0,0,0,0,0|1,1,0]=3 7 B11R2.36 C1=CC(=CC2=C1C=CN2)Cl 10638 [1,0,0,0,0,0|1,1,0]=3 8 B11R2.36 C1=CC(=CC2=C1C=CN2)F 10188 [1,0,0,0,0,0|1,0,0]=2 9 B11R2.36 C1=CC(=CC2=C1C=CN2)F 8532 [1,0,0,0,0,0|1,0,0]=2 10 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 6671 [1,0,0,0,0,0|2,1,0]=4 11 B11R2.36 C1=CC2=C(C=C1Br)NN=C2 5089 [1,0,0,0,0,0|0,1,0]=2 12 B11R2.36 C1=CC2=C(C=C1N)NC=N2 9866 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.36 C1=CC2=C(C=CN2)C=C1F 8339 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.36 CC1=CC2=C(C=C1)C=CN2 5403 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.36 CC1=CC2=C(C=C1)C=CN2 6502 [1,0,0,0,0,0|2,0,0]=3 16 B11R2.36 c1cc2c(cc1F)CCN2 F1286 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.36 c1cc2c(cc[nH]2)cc1F F0451 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O 10367 [0,1,0,0,0,0|2,0,1]=4 19 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O 9896 [0,1,0,0,0,0|2,0,1]=4 20 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O 9960 [0,1,0,0,0,0|1,1,1]=4 21 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O 8142 [0,1,0,0,0,0|1,0,1]=3 22 B13R2.11642 C1CC(=O)C2=C1C=C(C=C2F)F D1892 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F 6237 [0,0,1,0,0,0|2,0,1]=4 24 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 5562 [0,0,1,0,0,0|2,0,1]=4 25 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 6515 [0,0,1,0,0,0|2,0,1]=4 26 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br 5721 [0,0,1,0,0,0|0,1,2]=4 27 B11R1.22 C1=CC(=CC=C1C(=O)NN)F 8576 [0,0,1,0,0,0|0,0,2]=3 28 B11R1.22 C1=CC(=CC=C1C(=O)NN)I 6553 [0,0,1,0,0,0|0,1,2]=4 29 B11R1.24 C1=CC(=CC(=C1)F)CN=C=S 9469 [0,0,1,0,0,0|1,1,1]=4 30 B11R1.166 B(C1=C(C=C(C=C1)F)F)(O)O 5014 [0,0,1,0,0,0|3,0,0]=4 31 B11R1.166 B(C1=C(C=C(C=C1)F)F)(O)O 9885 [0,0,1,0,0,0|3,0,0]=4 32 B11R1.166 C1=CC(=C(C=C1Br)Br)C(=O)O 9828 [0,0,1,0,0,0|2,1,0]=4 33 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O 5684 [0,0,1,0,0,0|2,1,0]=4 34 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O 9928 [0,0,1,0,0,0|2,1,0]=4 35 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O 6787 [0,0,1,0,0,0|2,1,0]=4 36 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)O 6191 [0,0,1,0,0,0|2,1,0]=4 37 B11R1.166 C1=CC(=C(C=C1Cl)I)C(=O)O 5553 [0,0,1,0,0,0|2,1,0]=4 38 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O 5117 [0,0,1,0,0,0|2,1,0]=4 39 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 6240 [0,0,1,0,0,0|2,0,0]=3 40 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 9681 [0,0,1,0,0,0|2,0,0]=3 41 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl 6193 [0,0,1,0,0,0|2,0,1]=4 42 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O 5349 [0,0,1,0,0,0|2,0,0]=3 43 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl 6207 [0,0,1,0,0,0|2,0,1]=4 44 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N 9781 [0,0,1,0,0,0|1,0,2]=4 45 B11R1.166 C1=CC(=C(C=C1F)N)C(=O)O 10307 [0,0,1,0,0,0|1,0,0]=2 46 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O 6786 [0,0,1,0,0,0|3,0,0]=4 47 B11R1.166 C1=CC(=C(C=C1O)Cl)C(=O)O 8738 [0,0,1,0,0,0|3,0,0]=4 48 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O 5209 [0,0,1,0,0,0|3,0,0]=4 49 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O 9883 [0,0,1,0,0,0|2,0,1]=4 50 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O 10616 [0,0,1,0,0,0|2,1,0]=4 51 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O 5555 [0,0,1,0,0,0|2,1,0]=4 52 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O 9034 [0,0,1,0,0,0|3,0,0]=4 53 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6607 [0,0,1,0,0,0|3,0,0]=4 54 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6608 [0,0,1,0,0,0|3,0,0]=4 55 B13R2.3683 Cc1ccc2cc(ccc2n1)F F0126 [0,0,0,0,0,1|3,0,0]=4 56 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O 9616 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [1,0,1,0,0,0|1,0,1]=4 58 B10R1.13 B(C1=CC=C(C=C1)F)(O)O 6296 [1,0,1,0,0,0|2,0,0]=4 59 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [1,0,1,0,0,0|1,1,0]=4 60 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [1,0,1,0,0,0|1,0,1]=4 61 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [1,0,1,0,0,0|1,1,0]=4 62 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [1,0,1,0,0,0|1,0,0]=3 63 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [1,0,1,0,0,0|1,0,0]=3 64 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [1,0,1,0,0,0|0,2,0]=4 65 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [1,0,1,0,0,0|2,0,0]=4 66 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [1,0,1,0,0,0|1,0,1]=4 67 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [1,0,1,0,0,0|2,0,0]=4 68 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [1,0,1,0,0,0|1,0,1]=4 69 B10R1.25 C1=CC(=C(C=C1F)Br)C=O 5308 [1,0,1,0,0,0|1,0,1]=4 70 B10R1.25 C1=CC(=C(C=C1F)F)C=O 8215 [1,0,1,0,0,0|1,0,1]=4 71 B10R1.25 C1=CC(=C(C=C1F)F)CO 5619 [1,0,1,0,0,0|1,0,1]=4 72 B10R1.25 c1cc(c(cc1F)F)C=O D0156 [1,0,1,0,0,0|1,0,1]=4 73 B10R1.30 C1=CC(=C(C=C1F)C=O)O 10080 [1,0,1,0,0,0|2,0,0]=4 74 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [1,0,1,0,0,0|2,0,0]=4 75 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [1,0,1,0,0,0|2,0,0]=4 76 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [1,0,1,0,0,0|2,0,0]=4 77 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [1,0,1,0,0,0|2,0,0]=4 78 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [1,0,1,0,0,0|2,0,0]=4 79 B10R1.61 C1=CN=CC(=C1N)C(=O)O 9973 [1,0,1,0,0,0|2,0,0]=4 80 B10R1.61 CC(c1ccccc1N)O A1015 [1,0,1,0,0,0|1,0,1]=4 81 B10R2.7 C1=CC2=C(NC=C2)N=C1 10095 [2,0,0,0,0,0|2,0,0]=4 82 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [2,0,0,0,0,0|2,0,0]=4 83 B10R2.7 C1=CNC2=C1C=NC=C2 9955 [2,0,0,0,0,0|2,0,0]=4 84 B12R1.226 C1=CC(=CC(=C1)F)\C=C\C(=O)O 6032 [0,1,1,0,0,0|2,0,0]=4 85 B12R1.232 C1=C(C(=CC(=C1F)F)Cl)C(=O)O 6044 [0,1,1,0,0,0|2,0,0]=4 86 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)O 5056 [0,1,1,0,0,0|2,0,0]=4 87 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)O 6045 [0,1,1,0,0,0|2,0,0]=4 88 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)N 8810 [0,1,1,0,0,0|2,0,0]=4 89 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)F 5142 [0,1,1,0,0,0|2,0,0]=4 90 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)F 6058 [0,1,1,0,0,0|2,0,0]=4 91 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O 5481 [1,1,0,0,0,0|1,0,1]=4 92 B12R2.18 CC1=C(NC2=CC=CC=C12)C 8616 [1,1,0,0,0,0|2,0,0]=4 93 B12R2.18 Cc1c([nH]c2c1cccc2)C D0124 [1,1,0,0,0,0|2,0,0]=4 94 B12R2.44 C1=CC(=CC2=C1C=CN2)C#N 9833 [1,1,0,0,0,0|2,0,0]=4 95 B12R2.44 COC1=CC2=C(C=C1)C=CN2 6603 [1,1,0,0,0,0|2,0,0]=4 96 B12R2.44 COC1=CC2=C(C=C1)C=CN2 8822 [1,1,0,0,0,0|2,0,0]=4 97 B12R2.44 c1cc(cc2c1cc[nH]2)C=O F0277 [1,1,0,0,0,0|2,0,0]=4 98 B12R2.44 c1cc(cc2c1cc[nH]2)CN A4991 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O 5453 [0,0,1,0,0,1|2,0,0]=4 100 B12R1.233 C1=CC(=C(C=C1F)F)CC(=O)O 6068 [0,0,1,0,0,1|2,0,0]=4