0 B10R1.4 CCOC1=C(N)N=CC=C1 B050894 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.15 COC1=CC=CN=C1O B039509 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.17 CC1=C(OCCN)C=CC=C1 B050096 [0,1,0,0,0,0|0,0,0]=1 9 B11R1.17 NC1=CC=CC=C1OCCO B030703 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.17 NCCCC1=CC=CC=C1Cl B049213 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.81 CCOC1=CC=C(F)C=C1N B047094 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.81 CCSC1=C(N)C=C(Cl)C=C1 B049688 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.86 NC(=O)NC1=CC=CC=C1Cl B028823 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.86 NC1=CC=CC=C1OC(F)F B014397 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.222 NNC(=O)C1=CC=CC=C1N B015275 [0,1,0,0,0,0|2,0,1]=4 16 B11R2.10 NC1=NC2=CC=CC=C2O1 B039652 [0,0,0,1,0,0|2,0,1]=4 17 B11R2.55 NC1=CC=CC=C1C2CC2 B039285 [0,0,0,1,0,0|2,0,0]=3 18 B11R2.106 NC1=CC=CC2=C1N=CN2 B049587 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.33 CC1=CC=NN1CCF B051641 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.33 CC1=CC=NN1CCN B023879 [0,0,0,0,1,0|2,0,0]=3 21 B9R1.33 CCCN1N=CC=C1C B030312 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.33 CN1C=CN=C1CCN B059762 [0,0,0,0,1,0|2,0,0]=3 23 B9R1.33 CN1C=NN=C1CCN B039493 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.33 CN1C=NN=C1CCN B051824 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.33 CN1N=CC=C1CCN B047655 [0,0,0,0,1,0|2,0,0]=3 26 B8R1.2 NCC1=NC=CN=C1 B050555 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.5 NC1=C(Br)C=CC=N1 B049992 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.17 NCCCC1=CC=CC=N1 B048973 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [1,1,0,0,0,0|0,0,1]=3 36 B10R1.5 CCN1N=CC=C1CCN B047435 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.29 CC1=CC=NN1CCCN B007323 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.29 CC1=NC=CN1CCCN B048780 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.64 CC(N)CC1=CC=NN1C B051165 [0,1,0,0,1,0|2,0,0]=4 40 B10R1.94 CC1=C(Cl)C=NN1CCN B023883 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.94 CC1=C(Cl)C=NN1CCN B039289 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.94 CC1=C(I)C=NN1CCN B047764 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.94 CC1=C(I)C=NN1CCN B052424 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.130 CC1=CC(C)=NN1CCN B016661 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.130 CC1=CC(C)=NN1CCN B051275 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.149 CN1C=CN=C1C(O)CN B022239 [0,1,0,0,1,0|2,0,0]=4 47 B10R1.187 CC1=NNC(C)=C1CCN B049151 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.121 COC1=CC=CC=C1OCCN B030091 [0,2,0,0,0,0|0,0,0]=2 49 B12R1.121 FCCOC1=C(CBr)C=CC=C1 B059294 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.121 FCCOC1=C(CCl)C=CC=C1 B059293 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.121 NCC1=C(OCCF)C=CC=C1 B059295 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.121 O=CC1=C(OCCF)C=CC=C1 B059290 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.121 OCC1=C(OCCF)C=CC=C1 B059292 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 B059710 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.125 CC1=CC=CC=C1NCC(=O)O B003329 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.125 NC1=C(OCC(F)F)C=CC=C1 B034854 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.125 NC1=CC=CC=C1SCC(F)F B036156 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.267 CCCCOC1=C(N)C=CC=C1 B048532 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 B059689 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.1095 CC1=CC(C)=NC(=O)N1CCN B049734 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 B029994 [0,2,0,0,0,0|1,0,0]=3 62 B12R2.202 CC1=C2N=C(S)NC2=CC=C1 B039545 [0,1,0,1,0,0|1,0,1]=4 63 B12R2.1081 CC1=CC=CC2=C1NCCC2 B016010 [0,1,0,1,0,0|1,0,0]=3 64 B12R2.1081 NC1=CC=CC2=C1CCCC2 B049826 [0,1,0,1,0,0|1,0,0]=3 65 B12R2.1081 OC1=CC=CC2=C1NCCC2 B050304 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.24 CC1=CC2=C(C=C1)NCCC2 B039264 [0,1,0,1,0,0|2,0,0]=4 67 B12R2.24 NC1=CC2=C(C=C1)CCCC2 B049556 [0,1,0,1,0,0|1,0,0]=3 68 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 B038617 [0,1,0,1,0,0|0,0,2]=4 69 B12R2.32 NCC1=NC2=CC=CC=C2N1 B036389 [0,1,0,1,0,0|1,0,1]=4 70 B12R2.32 NCC1=NC2=CC=CC=C2O1 B039653 [0,1,0,1,0,0|1,0,1]=4 71 B12R2.32 NCC1=NC2=CC=CC=C2S1 B039668 [0,1,0,1,0,0|1,0,1]=4 72 B12R2.32 NCC1CC2=CC=CC=C2O1 B049791 [0,1,0,1,0,0|0,0,0]=2 73 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 B000495 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.8 CCCC1=CC=CS1 B046363 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.8 NCCC1=CC=CO1 B029933 [1,0,0,0,1,0|1,0,0]=3 76 B8R1.8 NCCC1=CC=CO1 B049455 [1,0,0,0,1,0|1,0,0]=3 77 B8R1.8 NCCC1=CNC=N1 B048931 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.8 NCCC1=CNN=C1 B037041 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.8 NCCC1=CNN=C1 B046264 [1,0,0,0,1,0|2,0,0]=4 80 B8R1.8 NCCC1=NC=CS1 B059753 [1,0,0,0,1,0|2,0,0]=4 81 B8R1.8 NCCN1C=CC=N1 B016657 [1,0,0,0,1,0|2,0,0]=4 82 B8R1.8 NCCN1C=CN=C1 B037992 [1,0,0,0,1,0|2,0,0]=4 83 B8R1.8 NCCN1C=CN=C1 B046367 [1,0,0,0,1,0|2,0,0]=4 84 B8R1.11 CC1=NNC=C1CN B049608 [1,0,0,0,1,0|2,0,0]=4 85 B8R1.11 CCC1=CC=NN1C B037958 [1,0,0,0,1,0|2,0,0]=4 86 B8R1.11 CCN1C=NC=C1C B051962 [1,0,0,0,1,0|2,0,0]=4 87 B8R1.11 CCN1N=CC=C1C B006759 [1,0,0,0,1,0|2,0,0]=4 88 B8R1.11 CN1N=CC=C1CN B007404 [1,0,0,0,1,0|2,0,0]=4 89 B8R1.11 CN1N=CC=C1CN B016043 [1,0,0,0,1,0|2,0,0]=4