0 B10R1.4 C1=CC(=C(CC#N)N=C1)Br BCP16569 [0,0,0,0,0,0|1,1,2]=4 1 B9R1.8 BrCCC1=CC=CN=C1 BCP07727 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.15 CC1=CC=CC=C1CN BCP14971 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.15 CNC1=CC=CC=C1N BCP19652 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.15 ClC1=C(C=O)C=CC=N1 BCP08292 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.15 ClC1=C(NN)N=CC=C1 BCP15445 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.15 ClC1=NC=CC=C1C#N BCP03202 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.15 FC1=CC=CN=C1CO BCP15521 [1,0,0,0,0,0|2,1,0]=4 9 B9R1.15 IC1=C(C=O)C=CC=C1 BCP07495 [1,0,0,0,0,0|1,1,1]=4 10 B9R1.15 NC1=C(C=O)C=CC=C1 BCP07330 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.15 NC1=NC=CC=C1CC BCP11445 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 NC1=NC=CC=C1OC BCP12904 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 NCc1nccnc1Cl BCP20593 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.15 OC1=CC=CN=C1CO BCP11425 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 OCC1=C(Cl)C=NC=C1 BCP10230 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.15 OCC1=NC=CC=C1O BCP14980 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.15 OCc1ccncc1F BCP10228 [1,0,0,0,0,0|2,1,0]=4 18 B11R1.17 OC1=C(OCCO)C=CC=C1 BCP18969 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.41 N#CC1=CC=CC=C1CC#N BCP17338 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.81 ClC1=C(N=C=S)C=CC(Cl)=C1 BCP26064 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.86 NC1=C(SC(C)C)C=CC=C1 BCP18377 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.222 CCC(C1=CC=CC=C1Cl)=O BCP07782 [0,1,0,0,0,0|1,0,1]=3 23 B11R2.10 NC1=NC2=CC=CC=C2O1 BCP08019 [0,0,0,1,0,0|2,0,1]=4 24 B11R2.10 NC1CC2=CC=CC=C2C1 BCP06421 [0,0,0,1,0,0|1,0,0]=2 25 B11R2.20 C12=C(N=CC=C1)CCCC2 BCP10417 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.20 C12=C(N=CC=C1)CCNC2 BCP08024 [0,0,0,1,0,0|2,0,0]=3 27 B11R2.20 C12=CC=NC=C1CNCC2 BCP14718 [0,0,0,1,0,0|2,0,0]=3 28 B11R2.20 N1=CC=CC2=C1CCNC2 BCP06160 [0,0,0,1,0,0|2,0,0]=3 29 B11R2.106 BrC1=CC=CC2=C1C=CN2 BCP00057 [0,0,0,1,0,0|0,1,2]=4 30 B11R2.106 BrC1=CC=CC2=C1C=NN2 BCP00013 [0,0,0,1,0,0|1,1,1]=4 31 B11R2.106 BrC1=CC=CC2=C1NCC2 BCP11779 [0,0,0,1,0,0|2,1,0]=4 32 B11R2.106 Brc1cccc2c1OCC2 BCP07134 [0,0,0,1,0,0|2,1,0]=4 33 B11R2.106 ClC1=CC=NC2=C1CC=N2 BCP00243 [0,0,0,1,0,0|1,0,2]=4 34 B11R2.106 ClC1=NC=CC2=C1C=NN2 BCP05300 [0,0,0,1,0,0|2,0,1]=4 35 B11R2.106 Clc1ccnc2c1cn[nH]2 BCP05298 [0,0,0,1,0,0|2,0,1]=4 36 B11R2.106 NC1=C2OCCC2=CC=C1 BCP14902 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.2 NCC1=CC=CN=C1 BCP13872 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.2 NCC1=NC=CC=N1 BCP00118 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 NCC1=NN=CC=C1 BCP04627 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 OCC1=CC=CN=C1 BCP20084 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.5 CC1=C(N)C=CC=C1 BCP17522 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.5 CC1=NC=CC=C1F BCP04309 [2,0,0,0,0,0|1,1,0]=4 44 B8R1.5 ClC1=C(Br)C=NC=C1 BCP10659 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.5 ClC1=C(Cl)C=CC=C1 BCP08071 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.5 ClC1=CC=CN=C1I BCP04456 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.5 IC1=C(I)C=CC=C1 BCP05858 [2,0,0,0,0,0|1,1,0]=4 48 B8R1.5 IC1=CC=CN=C1Cl BCP03191 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.5 NC1=CC=NC=C1Br BCP03800 [2,0,0,0,0,0|1,1,0]=4 50 B8R1.5 NC1=CC=NC=C1F BCP01703 [2,0,0,0,0,0|1,1,0]=4 51 B8R1.5 NC1=NC=CC=C1N BCP04951 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.5 SC1=CC=CC=C1Br BCP09623 [2,0,0,0,0,0|1,1,0]=4 53 B10R1.1 ClC1=CC=C(CCBr)C=C1 BCP09513 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.1 FC1=CC=C(CCBr)C=C1 BCP15339 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.15 OC(CN)C1=CC=CN=C1 BCP11465 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.17 CNCCC1=CC=CC=N1 BCP13129 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.17 CNCCC1=CC=CC=N1 BCP13779 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.17 CNCCC1=NC=CC=C1 BCP16849 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [1,1,0,0,0,0|0,0,1]=3 60 B10R1.2 OC1=C(OC)C=CC=C1Br BCP04858 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.20 CCC1=C(C=O)C=CC=C1 BCP06174 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.20 COC1=C(CN)C=CC=C1 BCP11246 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.20 N#CC1=C(CBr)C=CC=C1 BCP08886 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.25 NC1=CC(F)=CC=C1OC BCP05920 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.25 NC1=CC=C(OC)C(F)=C1 BCP05898 [1,1,0,0,0,0|1,1,0]=4 66 B10R1.25 NCC1=CC=C(F)C=C1F BCP12876 [1,1,0,0,0,0|0,1,0]=3 67 B10R1.25 O=CC1=CC=C(O)C=C1Cl BCP16836 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.25 OC1=CC(Br)=CC=C1OC BCP13373 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.25 OCC1=CC=C(Br)C=C1Br BCP17133 [1,1,0,0,0,0|1,1,0]=4 70 B10R1.30 BrC1=CC=C(N)C=C1OC BCP05908 [1,1,0,0,0,0|1,1,0]=4 71 B10R1.30 ClC=1C=CC(=CC1OC)N BCP15300 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.30 FC=1C=CC(=CC1OC)O BCP10034 [1,1,0,0,0,0|1,1,0]=4 73 B10R1.30 NC1=CC=C(F)C=C1OC BCP11916 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.30 OC=1C=CC(=CC1OC)C BCP19090 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.30 OC=1C=CC(=NC1CC)C BCP13392 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.30 OC=1C=CC(=NC1CC)C BCP13396 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.30 OC=1C=CC(=NC1CC)C BCP13397 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.61 CC(=O)c1cccnc1Cl BCP10419 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.61 CN(C)C1=CC=CC=C1Br BCP05527 [1,1,0,0,0,0|1,1,0]=4 80 B10R1.61 C[C](N)C1=CC=CC=C1Br BCP20468 [1,1,0,0,0,0|0,1,1]=4 81 B10R1.61 ClC1=C(C(N)=O)C=NC=C1 BCP06914 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.61 FC1=C(C(C)O)N=CC=C1 BCP06886 [1,1,0,0,0,0|1,1,0]=4 83 B10R1.61 FC1=C([C@@H](O)C)C=CC=C1 BCP12488 [1,1,0,0,0,0|0,1,0]=3 84 B10R1.245 O=CC1=C(Cl)C=CC=C1N BCP20567 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.69 OC1=CC(O)=CC=C1CCCC BCP08128 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.121 COC1=C(OCCN)C=CC=C1 BCP12481 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.1123 OC1=CC(CCN)=C(O)C=C1O BCP18603 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.1703 ClC1=C(C=CC(Cl)=C1)C(CCl)=O BCP17104 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.1703 O[C](CCl)C1=CC=C(Cl)C=C1Cl BCP09385 [0,2,0,0,0,0|1,0,1]=4 90 B10R2.6 [C]1(C2=CC=CC=C2)OC1 BCP14534 [1,0,0,1,0,0|1,0,1]=4 91 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [1,0,0,1,0,0|2,0,0]=4 92 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [1,0,0,1,0,0|2,0,0]=4 93 B10R2.7 C12=C(NC=C1)C=CC=C2 BCP29310 [1,0,0,1,0,0|0,0,2]=4 94 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [1,0,0,1,0,0|2,0,0]=4 95 B10R2.7 c1cnc2c(c1)CCC2 BCP01061 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.82 ClC1=C2C=NNC2=CC=C1Br BCP01345 [0,1,0,1,0,0|1,0,1]=4 97 B12R2.202 O=C1NC2=C(C1)C(Br)=CC=C2 BCP05909 [0,1,0,1,0,0|0,1,1]=4 98 B12R2.1081 CC1C2=C(C=CC=C2)CCN1 BCP14751 [0,1,0,1,0,0|1,0,0]=3 99 B12R2.1081 NC1=C2OCCOC2=CC=C1 BCP11255 [0,1,0,1,0,0|2,0,0]=4 100 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 BCP10139 [0,1,0,1,0,0|1,0,0]=3 101 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 BCP07129 [0,1,0,1,0,0|1,0,0]=3 102 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 BCP10140 [0,1,0,1,0,0|1,0,0]=3 103 B12R2.24 C1=C2COCCC2=CC(=C1)Br BCP08491 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.24 CC1COC2=C(C=CC=C2)N1 BCP14442 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.24 ClC1=NC2=C(CNCC2)C=C1 BCP19287 [0,1,0,1,0,0|2,0,0]=4 106 B12R2.24 OC1=CC=2NCCCC2C=C1 BCP13852 [0,1,0,1,0,0|2,0,0]=4 107 B12R2.24 OC1=CC=C2CCCCC2=C1 BCP20248 [0,1,0,1,0,0|2,0,0]=4 108 B12R2.32 NCC1=NC2=C(N1)C=CC=C2 BCP05262 [0,1,0,1,0,0|1,0,1]=4 109 B12R2.18 O[C@@H]1[C](N)C2=C(C=CC=C2)C1 BCP01235 [0,1,0,1,0,0|2,0,0]=4 110 B12R2.606 NC1Cc2c(C1)cc(cc2)Br BCP05915 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.8 NCCC1=CN=CN1 BCP16313 [1,0,0,0,1,0|2,0,0]=4