0 B12R2.612 CC1=NNC2=C1C=CC(Br)=C2 Y4619 [0,0,0,0,0,0|1,1,0]=2 1 B12R2.612 CN1N=CC2=C1C=CC(Cl)=C2 Y5772 [0,0,0,0,0,0|3,1,0]=4 2 B12R2.612 FC1=CC2=C(C=C1)C(Br)=CN2 1860AA [0,0,0,0,0,0|2,0,0]=2 3 B11R2.1 CC1=NOC2=C1C=CC=N2 8579AB [1,0,0,0,0,0|3,0,0]=4 4 B11R2.1 IC1=CNC2=C1C=CC=C2 2307AJ [1,0,0,0,0,0|2,0,0]=3 5 B11R2.1 NC1=CNC2=C1C=CC=C2 8737AE [1,0,0,0,0,0|2,0,0]=3 6 B11R2.1 NC1=NNC2=C1C=CN=C2 Z5104 [1,0,0,0,0,0|2,0,0]=3 7 B11R2.1 OC1=CSC2=CC=CC=C12 Z5532 [1,0,0,0,0,0|2,0,0]=3 8 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 V1332 [1,0,0,0,0,0|2,0,1]=4 9 B11R2.36 BrC1=CC2=C(C=C1)C=NS2 3952AC [1,0,0,0,0,0|1,1,0]=3 10 B11R2.36 FC1=CC2=C(C=C1)OC=C2 1825AB [1,0,0,0,0,0|3,0,0]=4 11 B11R2.36 OC1=CC=C2N=NSC2=C1 Y4044 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.36 OC1=CC=C2SN=NC2=C1 Y4045 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.662 CC1=CC2=C(C=C1)C(C#N)=NN2 X3754 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.2130 COC1=CC=C2C(=C1)ON=C2Cl 2241AJ [0,1,0,0,0,0|3,0,0]=4 15 B13R2.11634 CC1=C2C=C(Br)C(F)=CC2=NN1 3557AC [0,1,0,0,0,0|1,0,2]=4 16 B13R2.11634 CC1=CNC2=C1C=C(F)C(Cl)=C2 5971AH [0,1,0,0,0,0|2,1,0]=4 17 B11R1.22 O\N=C(/Cl)C1=CC=C(F)C=C1 9588AJ [0,0,1,0,0,0|2,0,0]=3 18 B11R1.166 CC1=CC(Cl)=C(C(=N)N)C=C1 1656AJ [0,0,1,0,0,0|3,0,0]=4 19 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 Q197 [0,0,1,0,0,0|3,0,0]=4 20 B11R1.166 N=C(N)C1=C(F)C=C(Cl)C=C1 2757AJ [0,0,1,0,0,0|2,1,0]=4 21 B11R1.166 NC(=S)C1=CC=C(F)C=C1F 9148AA [0,0,1,0,0,0|1,1,1]=4 22 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 5297AL [0,0,1,0,0,0|2,0,0]=3 23 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 7684AH [0,0,1,0,0,0|3,0,0]=4 24 B13R2.3683 CC1=CC=C2C=C(Cl)N=CC2=C1 Z6616 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.3683 O=C1COC2=CC(F)=CC=C2C1 6197AC [0,0,0,0,0,1|2,0,1]=4 26 B13R2.3683 O=C1N=CC2=CC(Br)=CC=C2N1 2476AC [0,0,0,0,0,1|1,1,1]=4 27 B13R2.5179 CC1=C2C=CC(Br)=CC2=CN=C1 Y4855 [0,0,0,0,0,1|2,1,0]=4 28 B13R2.5179 NC1=CC2=C(C=C1)C(=O)N=CN2 4956AC [0,0,0,0,0,1|1,0,1]=3 29 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 0105AB [1,0,1,0,0,0|1,1,0]=4 30 B10R1.13 N=C(N)C1=CC=C(F)C=C1 Y5354 [1,0,1,0,0,0|1,0,0]=3 31 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [1,0,1,0,0,0|2,0,0]=4 32 B10R1.15 N=C(NN)C1=CC=CC=C1 Y8569 [1,0,1,0,0,0|1,0,1]=4 33 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [1,0,1,0,0,0|1,0,1]=4 34 B10R1.30 CNC1=C(O)C=CC(N)=C1 9417AJ [1,0,1,0,0,0|2,0,0]=4 35 B10R1.61 NC1=CC=NC=C1C(=O)O Y7102 [1,0,1,0,0,0|2,0,0]=4 36 B10R2.7 C1=CC2=CNC=C2C=C1 0763AP [2,0,0,0,0,0|1,0,1]=4 37 B10R2.7 C1=CC=C2NCNC2=C1 6469AB [2,0,0,0,0,0|2,0,0]=4 38 B10R2.7 C1=CN=C2NC=CC2=C1 7845AF [2,0,0,0,0,0|2,0,0]=4 39 B12R1.1703 NCC(=O)C1=CC=C(F)C=C1F L158 [0,1,1,0,0,0|1,0,1]=4 40 B12R2.1 NCC1=CNC2=C1C=CC=C2 W4590 [1,1,0,0,0,0|2,0,0]=4 41 B12R2.1 OCC1=CNC2=CC=CC=C12 2717AD [1,1,0,0,0,0|1,0,0]=3 42 B12R2.1 OCC1=CSC2=CC=CC=C12 Y9385 [1,1,0,0,0,0|2,0,0]=4 43 B12R2.132 BrC1=CC2=C(C=C1)NN=C2Br W6113 [1,1,0,0,0,0|1,0,0]=3 44 B12R2.132 O=C1CNC2=CC=C(Br)C=C12 9806AB [1,1,0,0,0,0|1,0,1]=4 45 B12R2.196 NC1=C2NC=C(Br)C2=CC=C1 2179AJ [1,1,0,0,0,0|2,0,0]=4 46 B12R2.203 ClC1=C2C(Br)=CNC2=CC=C1 2959AA [1,1,0,0,0,0|2,0,0]=4 47 B12R2.203 ClC1=NC=CC2=C1C(I)=NN2 X9266 [1,1,0,0,0,0|2,0,0]=4 48 B12R2.203 NC1=C2C(=CC=N1)NN=C2I W3305 [1,1,0,0,0,0|2,0,0]=4 49 B12R2.44 NCC1=CN=C2C=NNC2=C1 4956AA [1,1,0,0,0,0|2,0,0]=4 50 B12R2.44 NNC1=CC=C2C=NNC2=C1 3553AJ [1,1,0,0,0,0|1,0,0]=3 51 B12R2.44 OCC1=CC2=C(C=CN2)C=C1 Z7180 [1,1,0,0,0,0|2,0,0]=4 52 B12R2.82 FC1=C(Cl)C2=C(C=C1)C=NN2 Z1594 [1,1,0,0,0,0|0,0,0]=2 53 B12R2.100 CC1=C(N)C=C2C=CNC2=C1 Y1632 [1,1,0,0,0,0|2,0,0]=4 54 B12R2.246 ClC1=CC(Br)=C2C=NOC2=C1 2715AJ [1,1,0,0,0,0|1,1,0]=4 55 B12R2.246 FC1=CC(Cl)=CC2=C1C=NN2 Y4526 [1,1,0,0,0,0|0,1,0]=3 56 B14R2.29365 FC1=CC2=NC(Cl)=NC(Cl)=C2C=C1 W3813 [0,1,0,0,0,1|1,0,1]=4 57 B14R2.5719 CC1=NNC2=C1C=CC(C(=O)O)=C2 Y5334 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.49 NNC(=S)NC1=CC=C(F)C=C1 C149 [0,0,1,0,0,1|0,1,1]=4 59 B12R1.233 O=C(O)CC1=CC=C(F)C=C1Cl X2678 [0,0,1,0,0,1|2,0,0]=4