0 B13R2.1613 BrCC1=CC=CC2=CC=CC=C21 NO18965 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.1613 BrCC1=NC=CC2=CC=CC=C21 DY113760 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.1613 BrCC1=NC=CC2=CC=CC=C21 NO20656 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 NO10073 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.1613 CNC1=NC=NC2=CC=CC=C21 DY782800 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.1613 COC1=CC=CC2=CC=CC=C21 NO19878 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.1613 COC1=CN=CC2=CC=CC=C21 NO13081 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.1613 ClCC1=NC=CC2=CC=CC=C21 DY545769 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.1613 N#CC1=CN=CC2=CC=CC=C12 NO17749 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.1613 NCC1=C2N=CC=CC2=CC=C1 DY692091 [0,0,0,0,0,0|4,0,0]=4 10 B13R2.1613 NCC1=CC=NC2=CC=CC=C12 DY576921 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.1613 NCC1=CC=NC2=CC=CC=C12 NO18368 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.1613 NCC1=NC=CC2=CC=CC=C21 NO14852 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.1613 NNC1=C2N=CC=CC2=CC=C1 DY610080 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.1613 NNC1=CC=CC2=CC=CC=C21 DY542373 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.1613 N\N=C1\N=NC=C2C=CC=CC21 DY585803 [0,0,0,0,0,0|0,0,2]=2 16 B13R2.1613 OCC1=CN=CC2=CC=CC=C21 DY718509 [0,0,0,0,0,0|3,0,0]=3 17 B12R2.1081 BrC1=C2N=CC=CC2=CN=C1 DY442546 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 NO10939 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 DY526749 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.1081 BrC1=NC=CC2=CN=CC=C21 NO16903 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.1081 BrC1=NC=NC2=CC=CC=C21 DY550665 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.1081 BrC1=NN=CC2=CC=CC=C21 DY774315 [1,0,0,0,0,0|1,0,0]=2 23 B12R2.1081 CC1=CN=CC2=CC=CC=C12 NO13187 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.1081 CC1=CN=CC2=CN=CC=C12 DY769251 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.1081 ClC1=C2C=CC=NC2=CN=C1 DY769125 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.1081 ClC1=CN=CC2=CC=CC=C12 NO12363 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 NO10943 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.1081 ClC1=NC=CC2=CC=NC=C21 NO14833 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.1081 FC1=CC=CC2=CC=CC=C12 DY20582 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.1081 IC1=CN=CC2=CC=CC=C12 NO12479 [1,0,0,0,0,0|2,0,0]=3 31 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 NO11013 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.1081 NC1=C2C=NC=CC2=CC=C1 NO18182 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 NO22125 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.1081 NC1=CC=CC2=C1C=CC=N2 NO11015 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.1081 NC1=CC=NC2=CC=CC=C12 DY692073 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.1081 NC1=CC=NC2=CC=CC=C12 NO18376 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.1081 NC1=CN=CC2=CC=CC=C12 NO11011 [1,0,0,0,0,0|1,0,0]=2 38 B12R2.1081 NC1=NC=CC2=CC=CC=C21 NO21592 [1,0,0,0,0,0|1,0,0]=2 39 B12R2.1081 O=C1C=NNC2=CC=CC=C12 NO20704 [1,0,0,0,0,0|3,0,0]=4 40 B12R2.1081 O=C1NN=CC2=CC=CC=C12 NO19825 [1,0,0,0,0,0|1,0,1]=3 41 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 DY20712 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.1081 OC1=CC=CC2=CC=CC=C12 NO18546 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.1081 OC1=CN=NC2=CC=CC=C12 NO22888 [1,0,0,0,0,0|3,0,0]=4 44 B12R2.1081 OC1=NC=CC2=CC=CC=C21 NO10978 [1,0,0,0,0,0|2,0,0]=3 45 B12R2.1081 OC1=NC=NC2=CC=CC=C21 NO14542 [1,0,0,0,0,0|3,0,0]=4 46 B14R2.203 NCC1=C(I)C=CC2=CC=CC=C21 DY764855 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.1073 CC1=CC=C2C(=C1)C=CC=C2CN DY763865 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.1073 N#CC1=NC=CC2=CC(Br)=CC=C21 NO17826 [0,1,0,0,0,0|2,0,1]=4 49 B14R2.1073 NCC1=CC=CC2=CC(Cl)=CC=C21 DY764099 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.1078 CC1=C2C=CC=C(CN)C2=CC=C1 DY763805 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.1078 NCC1=CC=CC2=C(I)C=CC=C12 DY764861 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.1131 COC1=NC=C(Br)C2=CC=CC=C21 NO12237 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.1131 N#CC1=NC=C(Br)C2=CC=CC=C21 DY545733 [0,1,0,0,0,0|2,0,1]=4 54 B14R2.1131 NCC1=CC=C(I)C2=CC=CC=C12 DY764825 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.1131 NNC1=C2C=CC=CC2=C(Br)C=C1 DY765395 [0,1,0,0,0,0|2,0,0]=3 56 B14R2.1146 COC1=NC(N)=CC2=CC=CC=C21 DY572745 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 DY459252 [0,1,0,0,0,0|3,0,0]=4 58 B14R2.11684 NNC1=CC=NC2=CC=C(F)C=C21 DY795789 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.31359 CC(=O)C1=NC=CC2=CC=CC=C21 DY561603 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.31359 C[C@@H](N)C1=CC=CC2=CC=CC=C21 DY505113 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.31359 C[C@@H](N)C1=CC=CC2=CC=CC=C21 NO14252 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.31359 N=C(N)C1=CC=CC2=CC=CC=C21 DY586912 [0,1,0,0,0,0|3,0,0]=4 63 B14R2.31359 O=C(O)C1=CN=CC2=CC=CC=C21 NO18438 [0,1,0,0,0,0|3,0,0]=4 64 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 NO21774 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.77 N#CC1=C(C(=O)NN)C=CC=C1 NO16910 [0,0,1,0,0,0|1,0,2]=4 66 B12R2.1 CCC1=NNC2=CC=CC=C21 DY762674 [0,0,0,0,1,0|2,0,1]=4 67 B12R2.1 CSC1=NNC2=CC=CC=C21 DY503733 [0,0,0,0,1,0|2,0,1]=4 68 B12R2.1 N#CC1=NNC2=CC=CC=C21 NO18335 [0,0,0,0,1,0|1,0,2]=4 69 B12R2.1 NCC1=C2C=CC=CN2C=N1 DY683089 [0,0,0,0,1,0|2,0,0]=3 70 B12R2.1 NCC1=CN=C2C=CC=CN12 NO18027 [0,0,0,0,1,0|3,0,0]=4 71 B12R2.1 NCC1=CNC2=CC=CC=C12 DY515577 [0,0,0,0,1,0|2,0,1]=4 72 B12R2.1 NCC1=CNC2=CC=CC=C12 DY728299 [0,0,0,0,1,0|2,0,1]=4 73 B12R2.1 NCC1=CNC2=CC=CC=C12 NO20093 [0,0,0,0,1,0|2,0,1]=4 74 B12R2.1 NCC1=NN=C2C=CC=CN21 DY580041 [0,0,0,0,1,0|2,0,0]=3 75 B12R2.1 NCC1=NNC2=CC=CC=C21 NO11089 [0,0,0,0,1,0|1,0,1]=3 76 B12R2.1 O=CC1=C2C=CC=CN2C=N1 NO17748 [0,0,0,0,1,0|3,0,0]=4 77 B12R2.1 O=CC1=NNC2=CC=CC=C21 NO20713 [0,0,0,0,1,0|2,0,1]=4 78 B11R1.53 COC1=C(C(=N)N)C=CC=C1 DY795999 [1,0,1,0,0,0|2,0,0]=4 79 B11R1.222 N\C(=N/O)C1=C(Cl)C=CC=C1 DY788421 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.222 N\C(=N/O)c1ccccc1N DY529467 [1,0,1,0,0,0|2,0,0]=4 81 B11R2.20 C1=CC=C2C=NC=CC2=C1 NO19770 [2,0,0,0,0,0|1,0,0]=3 82 B11R2.20 C1=CC=C2C=NN=CC2=C1 NO10532 [2,0,0,0,0,0|0,0,0]=2 83 B11R2.20 C1=CC=C2N=CN=CC2=C1 NO11926 [2,0,0,0,0,0|2,0,0]=4 84 B11R2.20 C1=CC=C2N=NC=CC2=C1 NO11145 [2,0,0,0,0,0|2,0,0]=4 85 B13R2.32 BrC1=C(Br)C2=CC=CC=C2C=N1 NO14781 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.32 CC1=C(N)C2=CC=CC=C2C=C1 DY447699 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.32 NC1=C(Cl)N=CC2=CC=CC=C21 NO12478 [1,1,0,0,0,0|1,0,0]=3 88 B13R2.32 NC1=C(I)C=CC2=CC=CC=C21 DY768955 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.32 NC1=C(O)C=CC2=CC=CC=C21 NO20594 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.162 CC1=CC=C2C=NC=C(Br)C2=C1 NO16559 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.162 ClC1=CC=C2C=CN=C(Cl)C2=C1 NO13151 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 DY509420 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.162 NC1=NC=CC2=CC=C(Br)C=C21 NO17665 [1,1,0,0,0,0|1,0,0]=3 94 B13R2.162 NC1=NC=NC2=CC=C(Cl)C=C21 NO10698 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.162 NC1=NC=NC2=CC=C(F)C=C21 DY443430 [1,1,0,0,0,0|2,0,0]=4 96 B13R2.162 O=C1N=NNC2=C1C=C(F)C=C2 DY501254 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.162 OC1=NC=CC2=CC=C(Br)C=C21 NO21409 [1,1,0,0,0,0|2,0,0]=4 98 B13R2.328 BrC1=CC2=CC=CC=C2C(Br)=N1 NO12194 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.328 CC1=CC2=CC=CC=C2C(Cl)=N1 DY33405 [1,1,0,0,0,0|2,0,0]=4 100 B13R2.328 NC1=CC(O)=CC2=CC=CC=C12 DY768431 [1,1,0,0,0,0|2,0,0]=4 101 B13R2.328 NC1=CC2=CC=CC=C2C(Br)=N1 DY517305 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.328 NC1=NC(Cl)=CC2=CC=CC=C21 DY570501 [1,1,0,0,0,0|1,0,0]=3 103 B13R2.342 CC1=CN=CC2=C(Br)C=CC=C12 DY718473 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.342 CC1=NC=CC2=C(Br)C=CC=C12 DY718461 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.342 NC1=CC=CC2=C(Br)C=CC=C12 NO19078 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.342 OC1=NC=CC2=C(Br)C=CC=C12 NO14932 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.371 CC1=CN=C(Br)C2=CC=CC=C12 DY443347 [1,1,0,0,0,0|2,0,0]=4 108 B13R2.371 ClC1=C2C=CC=NC2=C(Cl)N=N1 NO14662 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.371 ClC1=CN=C(Cl)C2=CC=CC=C12 NO18756 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.371 ClC1=NC=C(Br)C2=CC=CC=C21 NO21346 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.371 ClC1=NN=C(Cl)C2=C1C=CN=C2 NO20535 [1,1,0,0,0,0|2,0,0]=4 112 B13R2.371 ClC1=NN=C(Cl)C2=CC=CC=C21 DY460254 [1,1,0,0,0,0|1,0,0]=3 113 B13R2.371 NC1=CC=C(Br)C2=CC=CC=C12 NO20596 [1,1,0,0,0,0|2,0,0]=4 114 B13R2.371 NC1=CC=C(N)C2=CC=CC=C12 DY609008 [1,1,0,0,0,0|2,0,0]=4 115 B13R2.371 NC1=NC=C(Br)C2=CC=CC=C21 NO13673 [1,1,0,0,0,0|1,0,0]=3 116 B13R2.371 NC1=NC=C(Cl)C2=CC=CC=C21 DY547557 [1,1,0,0,0,0|1,0,0]=3 117 B13R2.4818 NC1=CC=CC2=CC=CC(I)=C12 DY764879 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 DY443731 [1,1,0,0,0,0|2,0,0]=4 119 B13R2.5179 ClC1=CC=C2C(=C1)C=CN=C2Cl NO18402 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.5179 ClC1=NC2=CN=NC(Cl)=C2C=C1 DY670794 [1,1,0,0,0,0|2,0,0]=4 121 B13R2.5179 ClC1=NC=CC2=CC(Br)=CC=C21 NO18144 [1,1,0,0,0,0|2,0,0]=4 122 B13R2.5179 FC1=CC=C2C(=C1)C=NN=C2Cl DY543537 [1,1,0,0,0,0|1,0,0]=3 123 B13R2.5179 NC1=CC2=CN=CC(N)=C2N=C1 DY534837 [1,1,0,0,0,0|2,0,0]=4 124 B13R2.5179 NC1=CC=C2C(=C1)C=CN=C2Cl NO16892 [1,1,0,0,0,0|2,0,0]=4 125 B13R2.5179 NC1=NC=CC2=CC(Br)=CC=C21 NO17632 [1,1,0,0,0,0|1,0,0]=3 126 B13R2.5179 NC1=NC=NC2=CC(Br)=CC=C21 NO14265 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.5179 NC1=NC=NC2=CC(Cl)=CC=C21 DY780250 [1,1,0,0,0,0|2,0,0]=4 128 B13R2.5179 O=C1NN=CC2=CC(Br)=CC=C12 NO12793 [1,1,0,0,0,0|1,0,1]=4 129 B13R2.1 NCCC1=NNC2=CC=CC=C21 NO15644 [0,1,0,0,1,0|1,0,1]=4 130 B13R2.72 NC(=S)C1=NNC2=CC=CC=C21 DY789825 [0,1,0,0,1,0|1,0,1]=4 131 B15R2.4382 NNCC1=CC=C(O)C2=CC=CC=C12 DY765407 [0,2,0,0,0,0|2,0,0]=4 132 B15R2.22222 NNC1=NN=C(NN)C2=CC=CC=C21 DY795741 [0,2,0,0,0,0|0,0,0]=2 133 B15R2.18471 NCCNC1=CC=CC2=CC=CC=C21 NO15028 [0,2,0,0,0,0|2,0,0]=4 134 B13R2.3 C1=CC=C(C2=CC=CN=N2)C=C1 NO22399 [0,0,1,1,0,0|2,0,0]=4 135 B13R2.3085 NN1C(=O)C2=CC=CC=C2C1=O DY510711 [0,0,1,1,0,0|2,0,0]=4 136 B13R2.18 IC1=C(C2=NN=NN2)C=CC=C1 DY569313 [0,0,1,1,0,0|1,0,1]=4 137 B11R2.1 BrC1=NN=C2C=CC=CN12 NO14600 [1,0,0,0,1,0|2,0,0]=4 138 B11R2.1 CC1=NNC2=CC=CC=C21 NO17372 [1,0,0,0,1,0|1,0,1]=4 139 B11R2.1 CC1=NOC2=C1C=CC=C2 NO22352 [1,0,0,0,1,0|2,0,0]=4 140 B11R2.1 ClC1=NOC2=C1C=CC=C2 NO19970 [1,0,0,0,1,0|2,0,0]=4 141 B11R2.1 NC1=C2C=CC=CC2=NS1 DY751663 [1,0,0,0,1,0|1,0,0]=3 142 B11R2.1 NC1=C2C=CC=CN2N=C1 DY519951 [1,0,0,0,1,0|2,0,0]=4 143 B11R2.1 NC1=C2C=CC=NC2=NS1 DY608089 [1,0,0,0,1,0|2,0,0]=4 144 B11R2.1 NC1=CNC2=CC=CC=C12 DY585665 [1,0,0,0,1,0|1,0,1]=4 145 B11R2.1 NC1=CNC2=CC=CC=C12 DY585666 [1,0,0,0,1,0|1,0,1]=4 146 B11R2.1 NC1=CSC2=C1C=CC=C2 NO13998 [1,0,0,0,1,0|2,0,0]=4 147 B11R2.1 NC1=NCC2=CC=CC=C21 DY459738 [1,0,0,0,1,0|0,0,1]=3 148 B11R2.1 NC1=NNC2=CC=CC=C21 NO20708 [1,0,0,0,1,0|0,0,1]=3 149 B11R2.1 NC1=NOC2=C1C=CC=C2 NO20240 [1,0,0,0,1,0|1,0,0]=3 150 B11R2.1 NC1=NOC2=CC=CN=C21 NO12630 [1,0,0,0,1,0|2,0,0]=4 151 B11R2.1 NC1=NOC2=CN=CC=C21 DY507662 [1,0,0,0,1,0|2,0,0]=4 152 B11R2.1 NC1=NSC2=C1C=CC=C2 NO13975 [1,0,0,0,1,0|1,0,0]=3 153 B11R2.1 NC1=NSC2=NC=CC=C12 NO15789 [1,0,0,0,1,0|2,0,0]=4 154 B11R2.1 NC1N=NC2=CC=CN=C21 DY777712 [1,0,0,0,1,0|1,0,1]=4 155 B11R2.1 NN1C=CC2=CC=CC=C21 NO19942 [1,0,0,0,1,0|2,0,0]=4 156 B11R2.1 O=C1N=NC2=CC=CC=C12 DY762524 [1,0,0,0,1,0|1,0,0]=3 157 B11R2.1 ON1N=NC2=C1C=CC=C2 NO19338 [1,0,0,0,1,0|2,0,0]=4 158 B11R2.1 ON1N=NC2=C1C=CC=C2 NO22993 [1,0,0,0,1,0|2,0,0]=4