0 B11R2.20 C1=CC2=C(C=N1)CCCN2 BBS-00012748 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.20 C1=CC2=C(CNCC2)N=C1 BBS-00013162 [0,0,0,0,0,0|2,0,0]=2 2 B11R2.20 C1=CC=C2CNCCC2=C1 BBS-00021795 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.20 C1=CC=C2NCCCC2=C1 BBS-00003596 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.20 C1=CC=C2OCCNC2=C1 BBS-00002717 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.20 C1=CC=C2SCCNC2=C1 BBS-00002921 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.20 C1=CN=C2CCNCC2=C1 BBS-00013724 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.24 BrC1=CC2=C(N=C1)NCCC2 BBS-00013163 [0,1,0,0,0,0|2,0,0]=3 8 B12R2.24 BrC1=NC2=C(C=C1)NCCC2 BBS-00013154 [0,1,0,0,0,0|2,0,0]=3 9 B12R2.24 CC1=NC2=C(C=C1)CCCN2 BBS-00013160 [0,1,0,0,0,0|2,0,0]=3 10 B12R2.24 CC1CCC2=CC=CC=C2N1 BBS-00001527 [0,1,0,0,0,0|3,0,0]=4 11 B12R2.24 NC1=NC2=C(C=N1)CNCC2 BBS-00021029 [0,1,0,0,0,0|3,0,0]=4 12 B12R2.24 NC1=NC=C2CCCCC2=N1 BBS-00015074 [0,1,0,0,0,0|2,0,0]=3 13 B12R2.24 O=C1C=C2CCCCC2=NN1 BBS-00030880 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.24 O=C1C=C2CCCCC2=[NH+]N1 BBS-00000078 [0,1,0,0,0,0|2,0,1]=4 15 B12R2.24 O=C1C=C2COCCC2=NN1 BBS-00030870 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.24 O=C1C=C2CSCCC2=NN1 BBS-00030869 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.24 SC1=NC=C2CCCCC2=N1 BBS-00015075 [0,1,0,0,0,0|2,0,0]=3 18 B12R2.1081 ClC1=C2CCCCC2=NC=N1 BBS-00032804 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.1081 ClC1=C2CCNCC2=CC=C1 BBS-00024884 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.1081 ClC1CCCC2=C1C=CC=C2 BBS-00032692 [0,1,0,0,0,0|2,0,0]=3 21 B12R2.1081 ClC1CCOC2=CC=CC=C21 BBS-00025168 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.1081 NC1=C2NCCCC2=CC=C1 BBS-00008242 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.1081 NC1=C2OCCCC2=CC=C1 BBS-00022067 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.1081 NC1CCCC2=CC=CC=C21 BBS-00003619 [0,1,0,0,0,0|2,0,0]=3 25 B12R2.1081 NC1CCOC2=CC=CC=C21 BBS-00006847 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.1081 O=C1CCCC2=CC=CC=C12 BBS-00028238 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.1081 OC1=C2NCCCC2=CC=C1 BBS-00001526 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.1081 OC1=NC=NC2=C1CCCC2 BBS-00019568 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.4 C=CCC1CCCCC1=O BBS-00028847 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.4 CCOC1=CC=CC=C1C BBS-00015692 [0,0,1,0,0,0|3,0,0]=4 31 B10R1.17 CNCCC1=NC=CC=C1 BBS-00002883 [0,0,1,0,0,0|2,0,0]=3 32 B10R1.17 NCCCC1=CC=CC=C1 BBS-00017110 [0,0,1,0,0,0|3,0,0]=4 33 B10R1.17 NCCCC1=NC=CC=C1 BBS-00021922 [0,0,1,0,0,0|2,0,0]=3 34 B10R1.17 OCCCC1=CC=CC=C1 BBS-00017111 [0,0,1,0,0,0|3,0,0]=4 35 B10R1.20 CCC1=CC=CC=C1CN BBS-00030007 [0,0,1,0,0,0|3,0,0]=4 36 B10R1.20 OCC1=CC=CN=C1CO BBS-00020110 [0,0,1,0,0,0|3,0,0]=4 37 B10R2.7 C1=C2CCCCC2=NN1 BBS-00015522 [0,0,0,0,1,0|1,0,0]=2 38 B10R2.7 C1=C2CNCCN2N=N1 BBS-00017220 [0,0,0,0,1,0|3,0,0]=4 39 B10R2.7 C1=CC2=C(CCNC2)S1 BBS-00026985 [0,0,0,0,1,0|2,0,0]=3 40 B10R2.7 C1=CC2=C(CCNC2)S1 BBS-00032463 [0,0,0,0,1,0|2,0,0]=3 41 B10R2.7 C1=CC=C2CNCC2=C1 BBS-00020874 [0,0,0,0,1,0|3,0,0]=4 42 B10R2.7 C1=CC=C2NCCC2=C1 BBS-00020855 [0,0,0,0,1,0|3,0,0]=4 43 B10R2.7 C1=NC2=C(CCCC2)N1 BBS-00000164 [0,0,0,0,1,0|0,0,1]=2 44 B10R2.7 C1=NC2=C(CCNC2)N1 BBS-00021804 [0,0,0,0,1,0|1,0,1]=3 45 B10R2.7 C1=NC2=C(CNCC2)N1 BBS-00030835 [0,0,0,0,1,0|1,0,1]=3 46 B10R2.7 C1=NC2=C(CNCC2)N1 BBS-00033485 [0,0,0,0,1,0|1,0,1]=3 47 B10R2.7 C1=NNC2=C1CCCC2 BBS-00015072 [0,0,0,0,1,0|1,0,1]=3 48 B10R2.7 C1=NNC2=C1COCC2 BBS-00025335 [0,0,0,0,1,0|2,0,1]=4 49 B10R2.7 C1CCN2CCN=C2C1 BBS-00020919 [0,0,0,0,1,0|1,0,2]=4 50 B12R2.41 C1=CC=C2SCCCNC2=C1 BBS-00006297 [0,0,0,0,0,1|3,0,0]=4 51 B9R1.8 CNCC1=NC=CN=C1 BBS-00032926 [1,0,1,0,0,0|1,0,0]=3 52 B9R1.8 OCCC1=NC=CC=C1 BBS-00028971 [1,0,1,0,0,0|2,0,0]=4 53 B9R1.15 CC1=CC=CN=C1CCl BBS-00028918 [1,0,1,0,0,0|2,0,0]=4 54 B9R1.15 CC1=CC=CN=C1CO BBS-00029050 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.17 CC1=C(CCCN)C=CC=C1 BBS-00021926 [0,1,1,0,0,0|2,0,0]=4 56 B11R1.1 CCCCC1=CC=C(N)C=C1 BBS-00003555 [0,1,1,0,0,0|2,0,0]=4 57 B11R1.28 CNCCCC1=CC=CC=C1 BBS-00017109 [0,1,1,0,0,0|2,0,0]=4 58 B11R2.1 BrC1=C2CNCCN2N=C1 BBS-00037361 [0,1,0,0,1,0|2,0,0]=4 59 B11R2.1 BrC1=C2OCCCN2N=C1 BBS-00032033 [0,1,0,0,1,0|2,0,0]=4 60 B11R2.1 CC1=NNC2=C1CCCC2 BBS-00023516 [0,1,0,0,1,0|1,0,1]=4 61 B11R2.1 CN1C=NC2=C1CCCC2 BBS-00026915 [0,1,0,0,1,0|0,0,1]=3 62 B11R2.1 NC1=C2CCCCC2=NO1 BBS-00001755 [0,1,0,0,1,0|1,0,0]=3 63 B11R2.1 NC1=C2CCCCC2=NS1 BBS-00032211 [0,1,0,0,1,0|1,0,0]=3 64 B11R2.1 NC1=C2OCCCN2N=C1 BBS-00025313 [0,1,0,0,1,0|2,0,0]=4 65 B11R2.1 NC1=NNC2=C1CCCC2 BBS-00021465 [0,1,0,0,1,0|1,0,1]=4 66 B11R2.1 OC1=C2CNCCN2N=C1 BBS-00037343 [0,1,0,0,1,0|2,0,0]=4 67 B11R2.1 OC1=NNC2=C1CCCC2 BBS-00023548 [0,1,0,0,1,0|1,0,1]=4 68 B11R2.1 SC1CCC2=CC=CC=C21 BBS-00028756 [0,1,0,0,1,0|2,0,0]=4 69 B11R2.10 ClC1=NC2=C(CCCC2)N1 BBS-00020639 [0,1,0,0,1,0|0,0,1]=3 70 B11R2.10 NC1=NC2=C(CCCC2)S1 BBS-00002178 [0,1,0,0,1,0|1,0,0]=3 71 B11R2.10 NC1=NC2=C(CNCC2)S1 BBS-00025966 [0,1,0,0,1,0|2,0,0]=4 72 B11R2.10 NC1=NC2=C(COCC2)S1 BBS-00025794 [0,1,0,0,1,0|2,0,0]=4 73 B11R2.10 NC1=NC2=C(COCC2)S1 BBS-00032872 [0,1,0,0,1,0|2,0,0]=4 74 B11R2.10 O=C1NC2=C(CCCC2)N1 BBS-00020640 [0,1,0,0,1,0|0,0,2]=4 75 B11R2.10 SC1=NC2=C(CCCC2)N1 BBS-00022452 [0,1,0,0,1,0|0,0,1]=3 76 B11R2.36 NC1=NC=C2CCCC2=N1 BBS-00015077 [0,1,0,0,1,0|2,0,0]=4 77 B11R2.36 O=C1C=C2CCCC2=NN1 BBS-00030879 [0,1,0,0,1,0|2,0,0]=4 78 B11R2.36 SC1=NC=C2CCCC2=N1 BBS-00015076 [0,1,0,0,1,0|2,0,0]=4 79 B11R2.106 CC1NCCC2=C1C=CS2 BBS-00024878 [0,1,0,0,1,0|2,0,0]=4 80 B11R2.106 ClC1=C2CCCC2=NC=N1 BBS-00032724 [0,1,0,0,1,0|2,0,0]=4 81 B11R2.106 NC1=NC=NC2=C1CCC2 BBS-00013380 [0,1,0,0,1,0|2,0,0]=4 82 B11R2.106 O=C1CCCC2=C1C=CO2 BBS-00019944 [0,1,0,0,1,0|1,0,1]=4 83 B11R2.106 O=C1CCCC2=C1C=CS2 BBS-00000945 [0,1,0,0,1,0|1,0,1]=4 84 B11R2.106 OC1=NC=NC2=C1CCC2 BBS-00023372 [0,1,0,0,1,0|2,0,0]=4 85 B13R2.33 O=C1CCC2=CC=CC=C2CC1 BBS-00026022 [0,1,0,0,0,1|2,0,0]=4 86 B13R2.3729 NC1=NC2=C(C=N1)CCCCC2 BBS-00026093 [0,1,0,0,0,1|2,0,0]=4 87 B13R2.3729 O=C1C=C2CCCCCC2=NN1 BBS-00030878 [0,1,0,0,0,1|2,0,0]=4 88 B13R2.57 CCC1=CC=C2CCCCC2=C1 BBS-00029459 [0,2,0,0,0,0|2,0,0]=4 89 B13R2.57 N#CC1=CC2=C(N=C1)NCCC2 BBS-00013165 [0,2,0,0,0,0|2,0,0]=4 90 B13R2.57 N#CC1=NC2=C(C=C1)NCCC2 BBS-00013156 [0,2,0,0,0,0|2,0,0]=4 91 B13R2.328 CC1=CC(C)=NC2=C1CCCN2 BBS-00012751 [0,2,0,0,0,0|2,0,0]=4 92 B13R2.328 CC1=CC(C)=NC2=C1NCCC2 BBS-00013157 [0,2,0,0,0,0|2,0,0]=4 93 B13R2.328 NC1=NC(N)=C2CCCCC2=N1 BBS-00004718 [0,2,0,0,0,0|2,0,0]=4 94 B13R2.328 NC1=NC2=C(CCCC2)C(=O)N1 BBS-00015234 [0,2,0,0,0,0|2,0,0]=4 95 B13R2.328 OC1=NC(S)=NC2=C1CCCC2 BBS-00023510 [0,2,0,0,0,0|2,0,0]=4 96 B13R2.369 CC1=NC2=C(C=C1Br)CCCN2 BBS-00013161 [0,2,0,0,0,0|2,0,0]=4 97 B13R2.5179 NC1=NC2=C(C=C1)C(=O)CCC2 BBS-00026935 [0,2,0,0,0,0|1,0,1]=4 98 B13R2.5179 O=C1CCCC2=C1C=CC(Cl)=N2 BBS-00026913 [0,2,0,0,0,0|1,0,1]=4 99 B13R2.5179 OC1CCCC2=C1C=CC(Cl)=N2 BBS-00026937 [0,2,0,0,0,0|1,0,0]=3 100 B13R2.1613 BrCC1CCCC2=CC=CC=C21 BBS-00022081 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.33 CC1=NC=CN1CCN BBS-00030822 [0,0,1,0,1,0|2,0,0]=4 102 B9R1.33 CN1N=CN=C1CCN BBS-00024344 [0,0,1,0,1,0|2,0,0]=4 103 B9R1.12 NCCCN1C=CN=C1 BBS-00012077 [0,0,1,0,1,0|2,0,0]=4 104 B9R2.3 C1=C2CCCC2=NN1 BBS-00015521 [0,0,0,0,2,0|1,0,0]=3 105 B9R2.3 C1=NC2=C(CCC2)N1 BBS-00021801 [0,0,0,0,2,0|0,0,1]=3 106 B9R2.3 C1=NNC2=C1CCC2 BBS-00015073 [0,0,0,0,2,0|1,0,1]=4