0 B10R1.61 CC(=O)c1cccnc1Cl BCP10419 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 CC(C1=C(O)C=NC=C1)=O BCP28934 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.61 CN(C)C1=CC=CC=C1Br BCP05527 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.61 C[C](N)C1=CC=CC=C1Br BCP20468 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.61 FC1=C(C(C)O)N=CC=C1 BCP06886 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.61 FC1=C([C@@H](O)C)C=CC=C1 BCP12488 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.61 NC1=C([N+]([O-])=O)C=CC=C1 BCP05324 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.61 NC1=CC=CC=C1B(O)O BCP14682 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.61 O=C1C(C(C)=O)=CC=CN1 BCP28633 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.61 OB(c1ccccc1Br)O BCP11801 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.6 N[C](C)C1=CC=CC=C1 BCP13697 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.6 O[C](C)C1=NC=CC=C1 BCP18401 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.15 CC1=CC=CC=C1CN BCP14971 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.15 CNC1=CC=CC=C1N BCP19652 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.15 FC1=CC=CN=C1CO BCP15521 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 IC1=C(C=O)C=CC=C1 BCP07495 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.15 NC1=C(C=O)C=CC=C1 BCP07330 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.15 NC1=NC=CC=C1CC BCP11445 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.15 NC1=NC=CC=C1OC BCP12904 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.15 OC1=CC=CN=C1CO BCP11425 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.15 OCC1=C(Cl)C=NC=C1 BCP10230 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.15 OCC1=NC=CC=C1O BCP14980 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.15 OCc1ccncc1F BCP10228 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.53 O=CC1=CC=CC=C1C(C)C BCP04819 [0,1,0,0,0,0|0,0,1]=2 25 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 BCP15257 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.156 CC1=CC=CC(O)=C1C(O)=O BCP05389 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.156 ClC1=C([C@@H](O)C)C(Cl)=CN=C1 BCP14150 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.156 OC1=C([N+]([O-])=O)C(Br)=CC=C1 BCP14019 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.159 ClC(C)C1=CC=CC(C)=C1C BCP13455 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.159 OC1=C(Br)C=CC=C1[N+]([O-])=O BCP13329 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.159 OC1=C(N)C=CC=C1C(C)=O BCP10837 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.166 Brc1ccc(c(c1)O)C(=O)C BCP18244 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.166 FC1=C([C@@H](C)N)C=CC(F)=C1 BCP07396 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.166 OC1=C(C(O)=O)C=CC(N)=C1 BCP18565 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.167 CC(C1=C(C=CC(F)=C1)I)=O BCP07101 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.167 OC=1C=CC(=CC1C(O)=O)N BCP05326 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.222 CCC(C1=CC=CC=C1Cl)=O BCP07782 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.222 O=C(NC)C1=CC=CC=C1S BCP11862 [0,1,0,0,0,0|1,1,1]=4 39 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C BCP00912 [0,0,0,1,0,0|1,0,2]=4 40 B11R2.1 CN1C2=C(N=N1)C=CC=C2 BCP20547 [0,0,0,1,0,0|3,0,0]=4 41 B11R2.1 NC1CCC2=C1C=CC=C2 BCP04726 [0,0,0,1,0,0|2,0,0]=3 42 B11R2.1 N[C@@H]1C2=C(CC1)C=CC=C2 BCP15509 [0,0,0,1,0,0|2,0,0]=3 43 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 BCP14221 [0,0,0,1,0,0|2,0,0]=3 44 B11R2.1 N[C]1CCC2=CC=CC=C21 BCP15726 [0,0,0,1,0,0|2,0,1]=4 45 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,0,0,1,0,0|2,0,1]=4 46 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,0,0,1,0,0|1,0,1]=3 47 B11R1.86 NC1=C(SC(C)C)C=CC=C1 BCP18377 [0,0,0,0,0,1|1,0,0]=2 48 B8R1.2 NCC1=CC=CN=C1 BCP13872 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.2 OCC1=CC=CN=C1 BCP20084 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.5 Brc1cccnc1O BCP11402 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.5 CC1=C(N)C=CC=C1 BCP17522 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.5 CC1=NC=CC=C1F BCP04309 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.5 ClC1=C(Cl)C=CC=C1 BCP08071 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.5 IC1=C(I)C=CC=C1 BCP05858 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.5 OC1=CC=CC=[N+]1[O-] BCP13006 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.5 SC1=CC=CC=C1Br BCP09623 [2,0,0,0,0,0|1,1,0]=4 58 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 BCP07421 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.13 C[C](N)C1=CC=C(F)C=C1 BCP12200 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.13 NC1=NC=C(C=C1)C(C)C BCP00188 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.13 N[C@@H](C)C1=CC=C(Br)C=C1 BCP07969 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.13 N[C](C)C1=CC=C(Br)C=C1 BCP09414 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.13 N[C](C)C1=CC=C(Cl)C=C1 BCP09416 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.13 N[C](C)C=1C=CC(=CC1)F BCP12199 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.15 OC(CN)C1=CC=CN=C1 BCP11465 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.113 N[C@@H](C)C1=CC(Br)=CC=C1 BCP09419 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.113 N[C@@H](C)C1=CC(F)=CC=C1 BCP09418 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.113 N[C](C)C1=CC(F)=CC=C1 BCP09417 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.2 OC1=C(OC)C=CC=C1Br BCP04858 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.20 CCC1=C(C=O)C=CC=C1 BCP06174 [1,1,0,0,0,0|0,0,1]=3 71 B10R1.20 COC1=C(CN)C=CC=C1 BCP11246 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.20 N#CC1=C(CBr)C=CC=C1 BCP08886 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.20 OCC1=CC=CN=C1NC BCP15519 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.25 NC1=CC(F)=CC=C1OC BCP05920 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.25 NC1=CC=C(OC)C(F)=C1 BCP05898 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.25 NCC1=CC=C(F)C=C1F BCP12876 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.25 O=CC1=CC=C(Br)C=C1O BCP00254 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.25 OC1=CC(Br)=CC=C1OC BCP13373 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.25 OCC1=CC=C(Br)C=C1Br BCP17133 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.30 BrC1=CC=C(N)C=C1OC BCP05908 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.30 C1=C(C(=CC=C1F)O)C=O BCP18438 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.30 ClC=1C=CC(=CC1OC)N BCP15300 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.30 FC=1C=CC(=CC1OC)O BCP10034 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.30 NC1=CC=C(F)C=C1OC BCP11916 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.30 OC=1C=CC(=CC1OC)C BCP19090 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.30 OC=1C=CC(=NC1CC)C BCP13392 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.30 OC=1C=CC(=NC1CC)C BCP13396 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.30 OC=1C=CC(=NC1CC)C BCP13397 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.245 O=CC=1C(O)=CC=CC1O BCP16333 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 BCP17205 [0,1,0,0,0,1|1,0,1]=4 91 B12R1.261 CC(C)C1=C(C(O)=O)C=CC=C1 BCP04820 [0,2,0,0,0,0|0,0,0]=2 92 B12R1.261 C[C@@H](N)C1=CC=CC=C1[N+]([O-])=O BCP20467 [0,2,0,0,0,0|1,0,1]=4 93 B12R1.126 CC(C)(C)C1=C(C=C(C=C1)N)O BCP29444 [0,2,0,0,0,0|0,0,0]=2 94 B12R1.126 OC1=CC(Br)=CC=C1C(F)(F)F BCP10268 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.894 ClC=1C([C@@H](C)O)=C(Cl)C=CC1F BCP04719 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.232 O=C1C(C)=CC(C(C(C)C)=C1)=O BCP16946 [0,2,0,0,0,0|0,0,1]=3 97 B10R2.6 [C]1(C2=CC=CC=C2)OC1 BCP14534 [1,0,0,1,0,0|1,0,1]=4 98 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [1,0,0,1,0,0|2,0,0]=4 99 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [1,0,0,1,0,0|2,0,0]=4 100 B10R2.7 C=12C=CC=CC1OBO2 BCP15959 [1,0,0,1,0,0|2,0,0]=4 101 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [1,0,0,1,0,0|1,0,0]=3 102 B10R2.7 c1cnc2c(c1)CCC2 BCP01061 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.24 CC1COC2=C(C=CC=C2)N1 BCP14442 [0,0,0,1,0,1|0,0,0]=2 104 B12R2.1081 CC1C2=C(C=CC=C2)CCN1 BCP14751 [0,1,0,1,0,0|1,0,0]=3 105 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BCP06538 [0,1,0,1,0,0|1,0,1]=4 106 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 BCP11607 [0,1,0,1,0,0|1,0,1]=4