0 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F 5113 [0,0,0,0,0,0|2,1,1]=4 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|1,0,0]=2 8 B11R2.36 C1=CC(=CC2=C1C=CN2)F 10188 [1,0,0,0,0,0|1,1,0]=3 9 B11R2.36 C1=CC(=CC2=C1C=CN2)F 8532 [1,0,0,0,0,0|1,1,0]=3 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=C1Cl 6668 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.36 C1CNC2=C1C=C(C=C2)Cl 9578 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.36 CC1=CC2=C(C=C1)C=CN2 5403 [1,0,0,0,0,0|2,0,0]=3 16 B11R2.36 CC1=CC2=C(C=C1)C=CN2 6502 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O 9960 [0,1,0,0,0,0|1,1,1]=4 18 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O 8142 [0,1,0,0,0,0|1,1,1]=4 19 B13R2.11642 c1c(cc(c2c1CCC2=O)Cl)Cl D1890 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Cl 8413 [0,0,1,0,0,0|2,0,1]=4 21 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br 5721 [0,0,1,0,0,0|0,1,2]=4 22 B11R1.22 C1=CC(=CC=C1C(=O)NN)F 8576 [0,0,1,0,0,0|0,1,2]=4 23 B11R1.22 C1=CC(=CC=C1C(=O)NN)I 6553 [0,0,1,0,0,0|0,1,2]=4 24 B11R1.166 B(C1=C(C=C(C=C1)Cl)Cl)(O)O 9953 [0,0,1,0,0,0|3,0,0]=4 25 B11R1.166 C1=C(C(=CN=C1Cl)C(=O)O)Cl 8416 [0,0,1,0,0,0|3,0,0]=4 26 B11R1.166 C1=C(C=NC(=C1Cl)C(=O)O)Cl 8448 [0,0,1,0,0,0|3,0,0]=4 27 B11R1.166 C1=CC(=C(C=C1Br)Br)C(=O)O 9828 [0,0,1,0,0,0|2,1,0]=4 28 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O 5684 [0,0,1,0,0,0|2,1,0]=4 29 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O 9928 [0,0,1,0,0,0|2,1,0]=4 30 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O 6787 [0,0,1,0,0,0|2,0,0]=3 31 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)O 6191 [0,0,1,0,0,0|2,0,0]=3 32 B11R1.166 C1=CC(=C(C=C1Cl)I)C(=O)O 5553 [0,0,1,0,0,0|2,0,0]=3 33 B11R1.166 C1=CC(=C(C=C1Cl)N)[N+](=O)[O-] 6627 [0,0,1,0,0,0|2,0,1]=4 34 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O 5117 [0,0,1,0,0,0|2,0,0]=3 35 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 6240 [0,0,1,0,0,0|2,1,0]=4 36 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 9681 [0,0,1,0,0,0|2,1,0]=4 37 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O 5349 [0,0,1,0,0,0|2,1,0]=4 38 B11R1.166 C1=CC(=C(C=C1F)N)C(=O)O 10307 [0,0,1,0,0,0|1,1,0]=3 39 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O 6786 [0,0,1,0,0,0|3,0,0]=4 40 B11R1.166 C1=CC(=C(C=C1O)Cl)C(=O)O 8738 [0,0,1,0,0,0|3,0,0]=4 41 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O 5209 [0,0,1,0,0,0|3,0,0]=4 42 B11R1.166 C1=CC(=NC(=C1C(=O)O)Cl)Cl 5307 [0,0,1,0,0,0|3,0,0]=4 43 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F 10081 [0,0,1,0,0,0|2,0,1]=4 44 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O 10616 [0,0,1,0,0,0|2,1,0]=4 45 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O 5555 [0,0,1,0,0,0|2,0,0]=3 46 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O 9034 [0,0,1,0,0,0|3,0,0]=4 47 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6607 [0,0,1,0,0,0|3,0,0]=4 48 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6608 [0,0,1,0,0,0|3,0,0]=4 49 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl 6538 [0,0,0,0,0,1|3,0,0]=4 50 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O 9616 [0,0,0,0,0,1|3,0,0]=4 51 B13R2.5179 C1=CC2=C(C=CN=C2C=C1Cl)Cl 6761 [0,0,0,0,0,1|2,0,1]=4 52 B13R2.5179 C1=CC2=C(C=CN=C2C=C1Cl)Cl 8505 [0,0,0,0,0,1|2,0,1]=4 53 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [1,0,1,0,0,0|1,0,1]=4 54 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [1,0,1,0,0,0|1,0,0]=3 55 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [1,0,1,0,0,0|1,0,0]=3 56 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [1,0,1,0,0,0|1,1,0]=4 57 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [1,0,1,0,0,0|1,1,0]=4 58 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [1,0,1,0,0,0|0,1,0]=3 59 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.15 C1=CC=C(C=C1)C(=O)CN 5484 [1,0,1,0,0,0|1,0,1]=4 62 B10R1.10 C1=CC(=CC(=C1)Cl)N=C=O 8145 [1,0,1,0,0,0|0,0,2]=4 63 B10R1.25 C1=CC(=C(C=C1Cl)F)CO 9790 [1,0,1,0,0,0|1,0,1]=4 64 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O 6718 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [1,0,1,0,0,0|2,0,0]=4 66 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [1,0,1,0,0,0|2,0,0]=4 67 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [1,0,1,0,0,0|2,0,0]=4 68 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [1,0,1,0,0,0|2,0,0]=4 69 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [1,0,1,0,0,0|2,0,0]=4 70 B10R1.61 C1=CN=CC(=C1N)C(=O)O 9973 [1,0,1,0,0,0|2,0,0]=4 71 B10R1.61 CC(c1ccccc1N)O A1015 [1,0,1,0,0,0|1,0,1]=4 72 B10R2.7 C1=CC2=C(NC=C2)N=C1 10095 [2,0,0,0,0,0|2,0,0]=4 73 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [2,0,0,0,0,0|2,0,0]=4 74 B10R2.7 C1=CNC2=C1C=NC=C2 9955 [2,0,0,0,0,0|2,0,0]=4 75 B12R1.226 C1=CC(=CC(=C1)Cl)CCC(=O)O 6537 [0,1,1,0,0,0|2,0,0]=4 76 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O D1689 [0,1,1,0,0,0|2,0,0]=4 77 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)N 8810 [0,1,1,0,0,0|2,0,0]=4 78 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O 5481 [1,1,0,0,0,0|1,0,1]=4 79 B12R2.18 CC1=C(NC2=CC=CC=C12)C 8616 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.18 Cc1c([nH]c2c1cccc2)C D0124 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.44 C1=CC(=CC2=C1C=CN2)C#N 9833 [1,1,0,0,0,0|2,0,0]=4 82 B12R2.44 COC1=CC2=C(C=C1)C=CN2 6603 [1,1,0,0,0,0|2,0,0]=4 83 B12R2.44 COC1=CC2=C(C=C1)C=CN2 8822 [1,1,0,0,0,0|2,0,0]=4 84 B12R2.44 c1cc(cc2c1cc[nH]2)C=O F0277 [1,1,0,0,0,0|2,0,0]=4 85 B12R2.44 c1cc(cc2c1cc[nH]2)CN A4991 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.233 C1=CC(=C(C=C1Cl)F)CC(=O)O 10469 [0,0,1,0,0,1|2,0,0]=4