0 B13R2.64 C1=CC=C(CC2=NC=CN2)C=C1 B38260 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 B12263 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.19 BrC1=CN(CC2=CC=CC=C2)N=C1 B53838 [0,1,0,0,0,0|2,0,0]=3 3 B14R2.19 BrC1=CN=C(NC2=CC=CC=C2)S1 B51068 [0,1,0,0,0,0|3,0,0]=4 4 B14R2.19 CN1C=C[N+](CC2=CC=CC=C2)=C1 B55430 [0,1,0,0,0,0|2,0,0]=3 5 B14R2.19 IC1=CN(CC2=CC=CC=C2)C=N1 B62028 [0,1,0,0,0,0|2,0,1]=4 6 B14R2.19 IC1=CN(CC2=CC=CC=C2)N=C1 B53848 [0,1,0,0,0,0|2,0,0]=3 7 B14R2.19 NC1=CN(CC2=CC=CC=C2)N=C1 B37764 [0,1,0,0,0,0|2,0,0]=3 8 B14R2.19 NC1=CN(CC2=CC=CC=C2)N=C1 B54102 [0,1,0,0,0,0|2,0,0]=3 9 B14R2.19 NC1=NNC(CC2=CC=CC=C2)=C1 B52523 [0,1,0,0,0,0|2,0,1]=4 10 B14R2.19 OC1=CN(CC2=CC=CC=C2)N=C1 B62890 [0,1,0,0,0,0|2,0,0]=3 11 B14R2.30 BrC1=CN=CN1CC2=CC=CC=C2 B53839 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.50 BrC1=C(CN2C=CN=C2)C=CC=C1 B53840 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.72 BrC1=CC=C(CN2C=CN=C2)C=C1 B53841 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.72 FC1=CC=C(CC2=CC=CS2)C=C1 F24677 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.72 NC1=CC=C(CN2C=CN=C2)C=C1 K52525 [0,1,0,0,0,0|2,0,1]=4 16 B14R2.114 O=C(C1=CC=CC=C1)C2=CC=CS2 P55305 [0,1,0,0,0,0|2,0,1]=4 17 B12R2.2 C1=CC(C2=CSC=C2)=CC=N1 T51247 [0,0,0,0,1,0|3,0,0]=4 18 B12R2.2 C1=CC(C2=NNC=C2)=CC=N1 P61606 [0,0,0,0,1,0|3,0,0]=4 19 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 P38157 [0,0,0,0,1,0|1,0,1]=3 20 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 P53834 [0,0,0,0,1,0|2,0,0]=3 21 B12R2.2 C1=CC=C(C2=CC=NN2)C=C1 P22610 [0,0,0,0,1,0|2,0,1]=4 22 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 P68097 [0,0,0,0,1,0|1,0,1]=3 23 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 P51246 [0,0,0,0,1,0|1,0,1]=3 24 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 P68881 [0,0,0,0,1,0|0,0,0]=1 25 B12R2.2 C1=CC=C(C2=CNN=C2)C=C1 P16046 [0,0,0,0,1,0|2,0,0]=3 26 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 P51158 [0,0,0,0,1,0|1,0,0]=2 27 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 P24827 [0,0,0,0,1,0|2,0,0]=3 28 B12R2.2 C1=CC=C(C2=NC=CS2)C=C1 P51245 [0,0,0,0,1,0|2,0,0]=3 29 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 P51335 [0,0,0,0,1,0|2,0,0]=3 30 B12R2.2 C1=CC=C(N2C=CN=C2)C=C1 P67670 [0,0,0,0,1,0|2,0,1]=4 31 B12R2.2 C1=CC=C(N2C=NC=N2)C=C1 P48387 [0,0,0,0,1,0|1,0,1]=3 32 B12R2.2 C1=CC=C(N2C=NN=N2)C=C1 P38054 [0,0,0,0,1,0|2,0,1]=4 33 B12R2.2 C1=CN=C(C2=CC=CS2)C=C1 T68559 [0,0,0,0,1,0|3,0,0]=4 34 B12R2.2 C1=CN=C(C2=NC=CN2)C=C1 P68096 [0,0,0,0,1,0|3,0,0]=4 35 B12R2.2 C1=CN=C(C2=NNC=C2)C=C1 P9922 [0,0,0,0,1,0|3,0,0]=4 36 B12R2.2 C1=CN=C(C2=NNC=N2)C=C1 T37759 [0,0,0,0,1,0|2,0,0]=3 37 B12R2.2 C1=CN=CC(C2=CN=CN2)=C1 K69498 [0,0,0,0,1,0|1,0,2]=4 38 B12R2.2 C1=CN=CC(C2=NC=CN2)=C1 K63708 [0,0,0,0,1,0|3,0,0]=4 39 B14R2.6 C1=CC=C(CC2=NC=CN=C2)C=C1 B54255 [0,0,0,0,0,1|0,0,1]=2 40 B14R2.6 C1=CC=C(NC2=CC=CC=C2)C=C1 D56647 [0,0,0,0,0,1|3,0,0]=4 41 B14R2.6 C1=CC=C(NC2=NC=CC=C2)C=C1 P54260 [0,0,0,0,0,1|2,0,0]=3 42 B14R2.6 C1=CC=C(NC2=NC=CC=N2)C=C1 A2894 [0,0,0,0,0,1|2,0,0]=3 43 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 P56556 [0,0,0,0,0,1|3,0,0]=4 44 B14R2.6 C1=CC=C(OC2=CC=NC=C2)C=C1 P55340 [0,0,0,0,0,1|2,0,1]=4 45 B14R2.6 C1=CC=C(OC2=CN=CC=C2)C=C1 P55339 [0,0,0,0,0,1|2,0,0]=3 46 B14R2.6 C1=CC=C(OC2=NC=CC=C2)C=C1 P55338 [0,0,0,0,0,1|2,0,0]=3 47 B14R2.6 C1=CC=C([SiH2]C2=CC=CC=C2)C=C1 D55781 [0,0,0,0,0,1|2,1,0]=4 48 B14R2.6 C1=CN=C(NC2=NC=CC=C2)C=C1 D69023 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [1,0,1,0,0,0|2,0,0]=4 52 B13R2.10 BrC1=CC(C2=CC=CC=C2)=NN1 B37497 [0,1,0,0,1,0|2,0,0]=4 53 B13R2.10 BrC1=CC=C(C2=CC=CC=C2)S1 B53499 [0,1,0,0,1,0|2,0,0]=4 54 B13R2.10 BrC1=CN(C2=CC=CC=C2)N=C1 B51062 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.10 BrC1=CN=C(C2=CC=CC=C2)O1 B36883 [0,1,0,0,1,0|2,0,0]=4 56 B13R2.10 BrC1=COC(C2=CC=CC=C2)=N1 B50912 [0,1,0,0,1,0|2,0,0]=4 57 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 B47610 [0,1,0,0,1,0|2,0,0]=4 58 B13R2.10 BrC1=NC(C2=CN=CC=C2)=CS1 B47550 [0,1,0,0,1,0|2,0,0]=4 59 B13R2.10 BrC1=NC=C(C2=CC=CC=C2)O1 B50911 [0,1,0,0,1,0|1,0,1]=4 60 B13R2.10 CC1=CNC(C2=CC=CC=C2)=N1 M52284 [0,1,0,0,1,0|2,0,0]=4 61 B13R2.10 CC1=NC(C2=CC=CC=C2)=CN1 M52283 [0,1,0,0,1,0|0,0,0]=2 62 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 M52280 [0,1,0,0,1,0|2,0,0]=4 63 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 C50933 [0,1,0,0,1,0|2,0,0]=4 64 B13R2.10 IC1=CC=C(C2=CC=CC=C2)S1 K53503 [0,1,0,0,1,0|2,0,0]=4 65 B13R2.10 IC1=CN(C2=CC=CC=C2)N=C1 K68498 [0,1,0,0,1,0|2,0,0]=4 66 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 A51351 [0,1,0,0,1,0|2,0,0]=4 67 B13R2.10 NC1=CC(C2=CC=CC=C2)=NS1 P51430 [0,1,0,0,1,0|2,0,0]=4 68 B13R2.10 NC1=NC(C2=CC=NC=C2)=CS1 P48421 [0,1,0,0,1,0|2,0,0]=4 69 B13R2.10 NC1=NC(C2=CN=CC=C2)=CS1 P48420 [0,1,0,0,1,0|2,0,0]=4 70 B13R2.10 NC1=NC(C2=NC=CC=C2)=CS1 P9961 [0,1,0,0,1,0|2,0,0]=4 71 B13R2.10 NC1=NC(C2=NC=CC=C2)=NN1 P63202 [0,1,0,0,1,0|2,0,0]=4 72 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 P38913 [0,1,0,0,1,0|0,0,2]=4 73 B13R2.10 NC1=NC=C(C2=CC=CC=C2)N1 P59346 [0,1,0,0,1,0|0,0,2]=4 74 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 P9980 [0,1,0,0,1,0|2,0,0]=4 75 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 P48864 [0,1,0,0,1,0|1,0,1]=4 76 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 P61590 [0,1,0,0,1,0|2,0,0]=4 77 B13R2.10 SC1=NC(C2=CC=NC=C2)=CS1 P47910 [0,1,0,0,1,0|2,0,0]=4 78 B13R2.12 BrC1=CC=C(C2=CC=CS2)C=C1 B53500 [0,1,0,0,1,0|2,0,0]=4 79 B13R2.12 BrC1=CC=C(C2=NC=CN2)C=C1 B61680 [0,1,0,0,1,0|2,0,0]=4 80 B13R2.12 BrC1=CC=C(C2=NC=CS2)C=C1 B50849 [0,1,0,0,1,0|2,0,0]=4 81 B13R2.12 BrC1=CC=C(C2=NNC=N2)C=C1 B47919 [0,1,0,0,1,0|1,0,0]=3 82 B13R2.12 BrC1=CC=C(C2=NNN=N2)C=C1 B12476 [0,1,0,0,1,0|2,0,0]=4 83 B13R2.12 BrC1=CC=C(C2=NOC=C2)C=C1 B0547 [0,1,0,0,1,0|2,0,0]=4 84 B13R2.12 FC1=CC=C(C2=CC=CS2)C=C1 F12824 [0,1,0,0,1,0|2,0,0]=4 85 B13R2.12 FC1=CC=C(C2=CN=CO2)C=C1 F50946 [0,1,0,0,1,0|1,0,1]=4 86 B13R2.12 FC1=CC=C(C2=NC=CN2)C=C1 F51094 [0,1,0,0,1,0|2,0,0]=4 87 B13R2.12 FC1=CC=C(C2=NNC=C2)C=C1 F9719 [0,1,0,0,1,0|2,0,0]=4 88 B13R2.12 FC1=CC=C(C2=NOC=C2)C=C1 F62939 [0,1,0,0,1,0|2,0,0]=4 89 B13R2.12 IC1=CC=C(N2C=CC=N2)C=C1 K51099 [0,1,0,0,1,0|2,0,0]=4 90 B13R2.12 NC1=CC=C(C2=CC=CO2)C=C1 F53892 [0,1,0,0,1,0|2,0,0]=4 91 B13R2.12 NC1=CC=C(C2=CN=CO2)C=C1 X51354 [0,1,0,0,1,0|1,0,1]=4 92 B13R2.12 NC1=CC=C(C2=CNN=C2)C=C1 P51703 [0,1,0,0,1,0|2,0,0]=4 93 B13R2.12 NC1=CC=C(C2=NC=CO2)C=C1 X63980 [0,1,0,0,1,0|2,0,0]=4 94 B13R2.12 NC1=CC=C(C2=NC=CS2)C=C1 T51429 [0,1,0,0,1,0|2,0,0]=4 95 B13R2.12 NC1=CC=C(N2C=CC=N2)C=C1 P51704 [0,1,0,0,1,0|2,0,0]=4 96 B13R2.13 BrC1=CC(C2=CN=CN2)=CC=C1 B51066 [0,1,0,0,1,0|0,0,2]=4 97 B13R2.13 BrC1=CC(C2=NC=CN2)=CC=C1 B51065 [0,1,0,0,1,0|2,0,0]=4 98 B13R2.13 BrC1=CC(C2=NNC=N2)=CC=C1 B62023 [0,1,0,0,1,0|1,0,0]=3 99 B13R2.13 CC1=CC=CC(C2=NNC=C2)=C1 T52276 [0,1,0,0,1,0|2,0,0]=4 100 B13R2.13 FC1=CC(C2=NNN=N2)=CC=C1 F62254 [0,1,0,0,1,0|2,0,0]=4 101 B13R2.13 FC1=CC=CC(C2=CC=CS2)=C1 F66554 [0,1,0,0,1,0|2,0,0]=4 102 B13R2.13 NC1=CC=CC(C2=CN=CO2)=C1 X20479 [0,1,0,0,1,0|1,0,1]=4 103 B13R2.15 BrC1=C(C2=CC=CC=C2)OC=N1 B50913 [0,1,0,0,1,0|1,0,1]=4 104 B13R2.15 BrC1=CNN=C1C2=CC=CC=C2 B51063 [0,1,0,0,1,0|2,0,0]=4 105 B13R2.15 CC1=CC=NN1C2=CC=CC=C2 M62966 [0,1,0,0,1,0|2,0,0]=4 106 B13R2.15 CC1=CNN=C1C2=CC=CC=C2 M52282 [0,1,0,0,1,0|2,0,0]=4 107 B13R2.15 IC1=CC=NN1C2=CC=CC=C2 K51098 [0,1,0,0,1,0|2,0,0]=4 108 B13R2.15 NC1=C(C2=CC=CC=C2)N=NS1 A66853 [0,1,0,0,1,0|2,0,0]=4 109 B13R2.15 NC1=CC=NN1C2=CC=CC=C2 P25545 [0,1,0,0,1,0|2,0,0]=4 110 B13R2.15 OC1=CC=NN1C2=CC=CC=C2 P51348 [0,1,0,0,1,0|2,0,0]=4 111 B13R2.18 BrC1=C(C2=NC=CN2)C=CC=C1 B51064 [0,1,0,0,1,0|2,0,0]=4 112 B13R2.18 BrC1=C(C2=NC=CO2)C=CC=C1 B36887 [0,1,0,0,1,0|2,0,0]=4 113 B13R2.18 BrC1=C(C2=NNC=C2)C=CC=C1 B37194 [0,1,0,0,1,0|2,0,0]=4 114 B13R2.18 CC1=C(N2C=CC=N2)C=CC=C1 T52274 [0,1,0,0,1,0|2,0,0]=4 115 B13R2.18 FC1=C(C2=CC=CS2)C=CC=C1 F66553 [0,1,0,0,1,0|2,0,0]=4 116 B13R2.18 IC1=C(C2=NNN=N2)C=CC=C1 K62450 [0,1,0,0,1,0|2,0,0]=4 117 B13R2.18 NC1=C(C2=NC=NN2)C=CC=C1 T63661 [0,1,0,0,1,0|1,0,1]=4 118 B13R2.18 OC1=C(C2=NC=CN2)C=CC=C1 K51353 [0,1,0,0,1,0|2,0,0]=4 119 B15R2.29 BrC1=CN=C(OC2=CC=CC=C2)N=C1 B53531 [0,1,0,0,0,1|2,0,0]=4 120 B15R2.29 ClC1=CC=C(CC2=NC=CC=C2)C=C1 C63480 [0,1,0,0,0,1|1,0,0]=3 121 B15R2.29 NC1=CC=C(CC2=CC=CC=C2)C=C1 B69306 [0,1,0,0,0,1|2,0,0]=4 122 B15R2.29 NC1=CC=C(OC2=CN=CC=C2)C=C1 P38785 [0,1,0,0,0,1|2,0,0]=4 123 B15R2.29 OC1=CN=C(CC2=CC=CC=C2)C=C1 B63773 [0,1,0,0,0,1|1,0,0]=3 124 B15R2.31 ClC1=NC(OC2=CC=CC=C2)=CC=N1 C53536 [0,1,0,0,0,1|1,0,1]=4 125 B15R2.31 ClC1=NC=NC(OC2=CC=CC=C2)=C1 C32322 [0,1,0,0,0,1|1,0,1]=4 126 B15R2.31 NC1=CC(OC2=CC=CC=C2)=NC=C1 P54267 [0,1,0,0,0,1|2,0,0]=4 127 B15R2.31 NC1=NC(CC2=CC=CC=C2)=CC=C1 B32205 [0,1,0,0,0,1|1,0,0]=3 128 B15R2.31 OC1=CC(CC2=CC=CC=C2)=CC=C1 B56773 [0,1,0,0,0,1|2,0,0]=4 129 B15R2.38 NC1=C(CC2=CC=CC=C2)C=CC=C1 B56797 [0,1,0,0,0,1|2,0,0]=4 130 B15R2.38 NC1=C(OC2=CC=CC=C2)C=CC=N1 P54268 [0,1,0,0,0,1|2,0,0]=4 131 B15R2.38 OC1=C(CC2=CC=CC=C2)C=CC=C1 B68950 [0,1,0,0,0,1|2,0,0]=4 132 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 D15569 [0,1,0,0,0,1|2,0,0]=4 133 B15R2.2226 N[C@@H](C1=CC=CC=C1)C2=CC=NC=C2 P55701 [0,1,0,0,0,1|1,0,1]=4 134 B15R2.2226 N[C@@H](C1=CC=CC=C1)C2=NC=CC=C2 P67748 [0,1,0,0,0,1|1,0,0]=3 135 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 D67582 [0,1,0,0,0,1|2,0,0]=4 136 B15R2.2226 O[C@@H](C1=CC=CC=C1)C2=NC=CC=C2 P63262 [0,1,0,0,0,1|1,0,0]=3 137 B15R2.2226 [SiH3]C(C1=CC=CC=C1)C2=CC=CC=C2 D56889 [0,1,0,0,0,1|2,0,0]=4 138 B15R2.64 N[C@@H](CC1=CC=CC=C1)C2=NC=CS2 P66632 [0,1,0,0,0,1|2,0,0]=4 139 B15R2.64 N[C@H](CC1=CC=CC=C1)C2=NC=CO2 X55445 [0,1,0,0,0,1|2,0,0]=4 140 B15R2.100 ClC1=CC=C(NCC2=NC=CN2)C=C1 K67118 [0,1,0,0,0,1|2,0,0]=4 141 B15R2.562 OC1=C(CNC2=NC=CS2)C=CC=C1 T52338 [0,1,0,0,0,1|2,0,0]=4 142 B15R2.15 N#CC1=CN(CC2=CC=CC=C2)N=C1 B37410 [0,2,0,0,0,0|2,0,0]=4 143 B15R2.15 O=CC1=CN(CC2=CC=CC=C2)N=C1 B54273 [0,2,0,0,0,0|2,0,0]=4 144 B15R2.98 FC1=CC=C(CC2=CC=C(I)S2)C=C1 F20358 [0,2,0,0,0,0|2,0,0]=4 145 B15R2.359 NC1=CC=NN1CC2=C(F)C=CC=C2 A0724 [0,2,0,0,0,0|2,0,0]=4 146 B15R2.7567 CC1=C(CC2=CC=CS2)C=C(Br)C=C1 B66730 [0,2,0,0,0,0|2,0,0]=4 147 B15R2.7567 CC1=C(CC2=CC=CS2)C=C(I)C=C1 K66732 [0,2,0,0,0,0|2,0,0]=4 148 B15R2.91 O=C(C1=CC=C(Cl)C=C1)C2=CNC=C2 C55289 [0,2,0,0,0,0|1,0,1]=4 149 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 P67859 [0,0,1,1,0,0|1,0,1]=4 150 B13R2.3 C1=CC=C(C2=NC=NC=C2)C=C1 P53630 [0,0,1,1,0,0|0,0,2]=4 151 B13R2.328 NC1=NC(Cl)=CC2=CC=CC=C21 C51077 [0,0,1,1,0,0|1,0,1]=4 152 B13R2.328 NC1=NC(Cl)=NC2=CC=CC=C21 C47920 [0,0,1,1,0,0|2,0,0]=4 153 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 I32057 [0,0,1,1,0,0|0,0,2]=4 154 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 Q54084 [0,0,1,1,0,0|0,0,2]=4 155 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 I3896 [0,0,1,1,0,0|1,0,1]=4 156 B15R3.3 C1=CC2=C(C=C1)C3=C(C=NC=C3)N2 P38101 [0,0,0,1,0,1|2,0,0]=4 157 B15R3.3 C1=CN=C2C(=C1)NC3=C2C=CC=C3 P55218 [0,0,0,1,0,1|2,0,0]=4 158 B15R3.3 C1=CN=C2NC3=C(C=CC=C3)C2=C1 P38207 [0,0,0,1,0,1|2,0,0]=4 159 B15R2.2195 C1=CC=C(COC2=CC=CC=C2)C=C1 B56774 [0,0,0,0,0,2|2,0,0]=4 160 B15R2.2195 C1=CC=C(COC2=CC=NC=C2)C=C1 B38941 [0,0,0,0,0,2|1,0,1]=4 161 B15R2.2195 C1=CC=C(COC2=CN=CC=C2)C=C1 B5427 [0,0,0,0,0,2|1,0,0]=3