0 B11R2.106 CC1=C2C=NNC2=CC=C1 CBR00232 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.106 ClC1=CC=CC2=C1C=NN2 BML00245 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.106 ClC1=NC=CC2=C1C=CN2 ADE000994 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.106 ClC1=NC=CC2=C1C=NN2 BLN00015 [0,0,0,0,0,0|2,0,1]=3 4 B11R2.106 ClC1=NC=NC2=C1N=CS2 CDS021287 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.106 IC1=C2C=CNC2=NC=C1 ADE000928 [0,0,0,0,0,0|3,0,0]=3 6 B11R2.106 NC1=C2C=CNC2=NC=C1 ADE000973 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.106 O=C1CCCC2=C1C=NN2 CBR02120 [0,0,0,0,0,0|2,0,2]=4 8 B11R2.106 O=C1NC=NC2=C1C=CS2 JRD0205 [0,0,0,0,0,0|2,0,1]=3 9 B11R2.106 O=C1NCCC2=C1C=CN2 PH003760 [0,0,0,0,0,0|2,0,2]=4 10 B11R2.106 OC1=C2C=CNC2=NC=C1 ADE000935 [0,0,0,0,0,0|2,0,1]=3 11 B11R2.106 OC1=NC=CC2=C1C=CO2 CVT00122 [0,0,0,0,0,0|3,0,1]=4 12 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,0,0,0|2,0,0]=3 13 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [1,0,0,0,0,0|1,0,1]=3 14 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.82 CC1=C2C=CNC2=NC=C1Cl ADE000993 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.82 CC1=C2C=CNC2=NC=C1F ADE001062 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.82 CC1=CN=C2NC=CC2=C1Cl ADE000979 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.82 ClC1=C(C2=C(N=C1)NC=C2)I ADE000989 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.82 ClC1=C2C=CNC2=NC=C1Br CVT00115 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.82 ClC1=C2C=CNC2=NC=C1I ADE000983 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.82 ClC1=CN=C2NC=CC2=C1Cl ADE001014 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.82 FC1=CN=C2NC=CC2=C1Cl ADE001015 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.82 FC1=CN=C2NC=CC2=C1I ADE000982 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.82 NC1=C2C=CNC2=NC=C1Cl ADE001007 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.82 OC1=C(C2=C(N=C1)NC=C2)Cl ADE000991 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.82 OC1=C2C=CNC2=NC=C1Cl ADE000990 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.82 OC1=C2C=CNC2=NC=C1F ADE001023 [0,1,0,0,0,0|2,0,1]=4 28 B12R2.196 CN1C=CC2=C(C=CN=C12)Cl CDS023532 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.196 CN1C=CC2=C(N=CN=C12)Cl JRD0459 [0,1,0,0,0,0|2,0,0]=3 30 B12R2.196 CN1C=CC2=C(N=CN=C12)N JRD0458 [0,1,0,0,0,0|2,0,0]=3 31 B12R2.202 CC1=NC2=C(N1)N=CN=C2Cl CDS009066 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.202 ClC1=CC=NC2=C1C=C(N2)I CVT00093 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.202 N1C(=NC2=C1N=CN=C2O)S S458120 [0,1,0,0,0,0|2,0,1]=4 34 B12R2.202 O=C1NC=NC2=C1C=C(S2)Br JRD0182 [0,1,0,0,0,0|2,0,1]=4 35 B12R2.203 BrC1=NC=CC2=C1C(=NN2)Br BLN00061 [0,1,0,0,0,0|2,0,1]=4 36 B12R2.203 BrC1=NC=CC2=C1C(=NN2)I BLN00064 [0,1,0,0,0,0|2,0,1]=4 37 B12R2.203 ClC1=C2C(=CNC2=CC=N1)I ADE001313 [0,1,0,0,0,0|3,0,0]=4 38 B12R2.203 ClC1=C2C(=CNC2=NC=C1)Br SYX00215 [0,1,0,0,0,0|3,0,0]=4 39 B12R2.203 ClC1=C2C(=CNC2=NC=C1)I ADE000946 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.203 ClC1=NC=CC2=C1C(=NN2)Br BLN00028 [0,1,0,0,0,0|2,0,1]=4 41 B12R2.203 ClC1=NC=CC2=C1C(=NN2)I BLN00018 [0,1,0,0,0,0|2,0,1]=4 42 B12R2.203 NC1=C2C(=NNC2=NC=N1)Br ADE001441 [0,1,0,0,0,0|1,0,1]=3 43 B12R2.203 NC1=C2C(=NNC2=NC=N1)I ADE001444 [0,1,0,0,0,0|1,0,1]=3 44 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)Cl JRD0183 [0,1,0,0,0,0|2,0,0]=3 45 B12R2.246 CC1=NC2=C(C=CN2)C(=N1)N JRD0185 [0,1,0,0,0,0|2,0,0]=3 46 B12R2.246 CC1=NC2=C(C=CS2)C(=N1)Cl JRD0215 [0,1,0,0,0,0|3,0,0]=4 47 B12R2.246 CC1=NC2=C(C=CS2)C(=O)N1 JRD0266 [0,1,0,0,0,0|2,0,1]=4 48 B12R2.246 CC1=NC2=C(C=NN2)C(=N1)O PH018689 [0,1,0,0,0,0|0,0,2]=3 49 B12R2.246 ClC1=NC(=C2C=CSC2=N1)Cl SYX00043 [0,1,0,0,0,0|3,0,0]=4 50 B12R2.246 ClC1=NC2=C(CNC2)C(=N1)Cl PHB00104 [0,1,0,0,0,0|2,0,1]=4 51 B12R2.246 N1C=NC2=C1N=C(N=C2O)S S448524 [0,1,0,0,0,0|2,0,1]=4 52 B12R2.246 NC1=NC(=C2C=NNC2=N1)Cl CDS007701 [0,1,0,0,0,0|1,0,1]=3 53 B12R2.246 NC1=NC(=NC2=C1C=CS2)S CDS011798 [0,1,0,0,0,0|3,0,0]=4 54 B12R2.246 NC1=NC(=NC2=C1C=NN2)O CDS000700 [0,1,0,0,0,0|1,0,1]=3 55 B12R2.246 NC1=NC(=NC2=C1N=CN2)O CDS000009 [0,1,0,0,0,0|3,0,0]=4 56 B12R2.246 O=C1NC(=NC2=C1C=CN2)S JRD0216 [0,1,0,0,0,0|1,0,1]=3 57 B12R2.246 SC1=NC2=C(N=CN2)C(=N1)S S459070 [0,1,0,0,0,0|2,1,0]=4 58 B12R2.315 C(=O)C1=C2C=CNC2=NC=C1 CVT00121 [0,1,0,0,0,0|2,0,0]=3 59 B12R2.315 COC1=C2C=CNC2=NC=C1 ADE000907 [0,1,0,0,0,0|2,0,1]=4 60 B12R2.315 N#CC1=NC=CC2=C1C=CN2 ADE000998 [0,1,0,0,0,0|3,0,0]=4 61 B12R2.315 NNC1=NC=NC2=C1C=CN2 JRD1572 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.4 CC1=NC=CC=C1CNN PH019261 [0,0,1,0,0,0|2,0,1]=4 63 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 CBR00181 [0,0,0,0,0,1|3,0,0]=4 64 B9R1.2 NCC1=CC(=NC=N1)O CBR02401 [1,0,1,0,0,0|1,0,1]=4 65 B9R1.3 NC1=NC=NC(=C1Cl)Cl CDS009579 [1,0,1,0,0,0|2,0,0]=4 66 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,0,1,0,0,0|2,0,0]=4 67 B9R1.8 CNCC1=NC=NC=C1 PH017743 [1,0,1,0,0,0|1,0,1]=4 68 B9R1.8 CNCC1=NC=NC=C1 PH019105 [1,0,1,0,0,0|1,0,1]=4 69 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.464 C(=O)C1=C(N=C(N=C1N)N)O CBR02336 [0,1,1,0,0,0|1,0,1]=4 71 B11R2.1 BrC1=NNC2=C1C=CC=N2 BLN00006 [1,1,0,0,0,0|1,0,1]=4 72 B11R2.1 BrC1=NNC2=C1C=NC=C2 BLN00011 [1,1,0,0,0,0|1,0,1]=4 73 B11R2.1 ClC1=NNC2=C1C=CC=N2 BLN00021 [1,1,0,0,0,0|1,0,1]=4 74 B11R2.1 ClC1=NNC2=C1C=CC=N2 CDS020261 [1,1,0,0,0,0|1,0,1]=4 75 B11R2.1 IC1=CNC2=NC=NC=C12 ADE000075 [1,1,0,0,0,0|1,0,0]=3 76 B11R2.36 BrC1=CC2=C(C=NN2)C=N1 BLN00019 [1,1,0,0,0,0|1,0,1]=4 77 B11R2.36 BrC1=CN=C2NN=CC2=C1 ADE000064 [1,1,0,0,0,0|1,0,1]=4 78 B11R2.36 BrC1=NC2=C(C=CN2)C=C1 CDS022311 [1,1,0,0,0,0|2,0,0]=4 79 B11R2.36 CC1=CC2=C(N=C1)NC=C2 ADE000939 [1,1,0,0,0,0|2,0,0]=4 80 B11R2.36 ClC1=CC2=C(C=NN2)C=N1 BLN00009 [1,1,0,0,0,0|1,0,1]=4 81 B11R2.36 ClC1=CN=C2NC=CC2=C1 ADE000883 [1,1,0,0,0,0|2,0,0]=4 82 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [1,1,0,0,0,0|1,0,0]=3 83 B11R2.36 ClC1=NC2=C(C=CS2)C=N1 CDS021232 [1,1,0,0,0,0|2,0,0]=4 84 B11R2.36 FC1=CN=C2NC=CC2=C1 ADE000902 [1,1,0,0,0,0|2,0,0]=4 85 B11R2.36 IC1=CN=C2NC=CC2=C1 ADE000885 [1,1,0,0,0,0|2,0,0]=4 86 B11R2.36 IC1=CN=C2NN=CC2=C1 ADE000069 [1,1,0,0,0,0|1,0,1]=4 87 B11R2.36 NC1=CN=C2NC=CC2=C1 ADE000889 [1,1,0,0,0,0|2,0,0]=4 88 B11R2.36 OC1=CN=C2NC=CC2=C1 ADE000886 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.121 O=CC1=C2C=CNC2=NC=C1Cl ADE000987 [0,2,0,0,0,0|2,0,0]=4 90 B13R2.121 O=CC1=C2C=CNC2=NC=C1F ADE001061 [0,2,0,0,0,0|2,0,0]=4 91 B13R2.4857 CN1C=C(C2=C(N=CN=C12)Cl)Br JRD0460 [0,2,0,0,0,0|2,0,0]=4 92 B13R2.2091 CCC1=CNC2=NC=NC(=C12)Cl PH018557 [0,2,0,0,0,0|2,0,0]=4 93 B13R2.654 CSC1=NC(=C2C=CNC2=N1)O R439363 [0,2,0,0,0,0|1,0,1]=4 94 B13R2.654 CSC1=NC2=C(C=CN2)C(=N1)Cl JRD0387 [0,2,0,0,0,0|2,0,0]=4 95 B13R2.654 CSC1=NC2=C(C=CN2)C(=N1)S T121169 [0,2,0,0,0,0|1,1,0]=4 96 B13R2.654 CSC1=NC2=C(C=CN2)C(=O)N1 JRD0386 [0,2,0,0,0,0|1,0,1]=4 97 B13R2.654 CSC1=NC2=C(C=NN2)C(=N1)N JRD0261 [0,2,0,0,0,0|1,0,1]=4 98 B13R2.5569 NC(=O)C1=C2C=CNC2=NC=C1 ADE001033 [0,2,0,0,0,0|2,0,0]=4 99 B13R2.5569 O=C(O)C1=C2C=CNC2=NC=C1 ADE000938 [0,2,0,0,0,0|2,0,0]=4 100 B13R2.5569 O=C(O)C1=NC=CC2=C1C=CN2 ADE001003 [0,2,0,0,0,0|2,0,0]=4