0 B9R1.15 COC1=CC=CN=C1Br NP43815 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.15 COC1=CC=CN=C1N NP45374 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.15 COC1=NC=CC=C1N SPB07839 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.15 N#CC1=CC=NC=C1Br NP45227 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 N#CC1=CN=CC=C1I NP43745 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 N#CC1=NC=CC=C1F MO07483 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 O=CC1=CC=NC=C1Br NP39808 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 O=CC1=NC=CC=C1F CC30904 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.5 CC1=CC=CNC1=O CD09405 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.5 FC1=NC=CC=C1I MO00359 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.2 FC1=C(CBr)C=CC=C1Br MAY00216 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.4 CNCC1=NC=CC=C1F CC30946 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.20 CSC1=C(CN)C=CC=C1 KM09736 [0,1,0,0,0,0|1,1,0]=3 15 B10R1.25 CC1=CC(Cl)=CC=C1NN SB01504 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.25 CC1=CC(N)=C(C#N)C=C1 TL00552 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 CD05201 [0,1,0,0,0,0|1,1,0]=3 18 B10R1.25 FC1=C(CBr)C=CC(Cl)=C1 KM10077 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.25 N#CC1=CC=C(Cl)C=C1Cl TL00187 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.25 N#CC1=CC=C(O)C=C1F KM10855 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.25 NNC1=CC=C(Cl)C=C1Cl BTB07732 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.30 N#CC1=CC(Cl)=CC=C1Cl DP01309 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.30 O=CC1=C(I)C=CC(O)=C1 MO07995 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.245 NNC1=C(Cl)C=CC=C1Cl BTB08663 [0,1,0,0,0,0|3,0,0]=4 25 B10R2.7 C1=CC2=C(C=C1)OCO2 SB00944 [0,0,0,1,0,0|0,0,0]=1 26 B10R2.7 C1=CC2=NON=C2C=C1 KM06477 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.3 IC1=CC=NC=C1 MO00014 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.1 CC1=CC=C(CS)C=C1 TL00457 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.1 NNC1=CC=C(I)C=C1 RF01374 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.1 OCC1=CC=C(Cl)C=C1 SB01197 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.2 CC1=CC=CC(CS)=C1 TL00469 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [1,1,0,0,0,0|1,0,0]=3 35 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [1,1,0,0,0,0|1,0,0]=3 36 B9R1.2 COC1=CC=CC(N)=N1 MO08464 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.2 OCC1=CC(Cl)=CC=C1 SB01130 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.8 CNCC1=CC=CN=C1 TL00368 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.8 CNCC1=CC=NC=C1 MO00914 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.8 OCCC1=CC=CN=C1 KM09875 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.3 CC1=C(O)N=CN=C1Cl MAY00120 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.3 CC1=CC=CC(C)=C1F CD05584 [1,1,0,0,0,0|1,0,0]=3 43 B9R1.3 CC1=CC=CC(N)=C1N BTB07447 [1,1,0,0,0,0|1,0,0]=3 44 B9R1.69 CC1=C(N)N=CC(Br)=C1 XBX00112 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [1,1,0,0,0,0|1,0,0]=3 46 B9R1.69 CC1=NC(N)=CC=C1Br XBX00110 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.69 ClC1=C(Cl)C=C(I)C=C1 BTB06155 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.69 ClC1=CC(Cl)=C(I)C=C1 TL00185 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.69 FC1=C(F)C=C(Cl)C=C1 SB01824 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.69 FC1=C(F)C=C(I)C=C1 SB01245 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.69 FC1=CC(Cl)=C(I)C=C1 TL00223 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.69 FC1=CC=C(S)C=C1Cl TL00315 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.69 OC1=CC(F)=C(F)C=C1 SB01786 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.14 COC1=C(C=O)SC=C1 CC68604 [0,1,0,0,1,0|1,0,1]=4 55 B9R1.14 COC1=C(CN)SC=C1 CC68613 [0,1,0,0,1,0|2,0,0]=4 56 B11R1.8 CC1=CC(Cl)=CC(C=O)=C1O BTB03914 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.8 O=CC1=CC(Br)=CC(Br)=C1O BTB02697 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O BTB10071 [0,2,0,0,0,0|1,0,0]=3 59 B11R1.17 NCCOC1=CC=CC=C1Cl RF03300 [0,2,0,0,0,0|1,0,0]=3 60 B11R1.41 CCC1=CC=CC=C1N=C=O AC31420 [0,2,0,0,0,0|1,0,1]=4 61 B11R1.41 CCC1=CC=CC=C1N=C=S SB01715 [0,2,0,0,0,0|1,1,0]=4 62 B11R1.41 COC1=CC=CC=C1N=C=S TL00631 [0,2,0,0,0,0|0,1,0]=3 63 B11R1.222 COC(=O)C1=CC=CN=C1N KM07908 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl SPB06335 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.53 COC1=NC=CC=C1C(=O)O KM01841 [0,2,0,0,0,0|1,0,0]=3 66 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] SPB06058 [0,2,0,0,0,0|1,0,1]=4 67 B11R1.53 CSC1=NC=CC=C1C(=O)O BTB06287 [0,2,0,0,0,0|1,1,0]=4 68 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [0,2,0,0,0,0|1,0,0]=3 69 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SB01749 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BTB04130 [0,2,0,0,0,0|1,0,0]=3 71 B11R2.106 BrC1=CC=CC2=C1OC=C2 MAY00313 [0,1,0,1,0,0|1,0,1]=4 72 B11R2.106 BrC1=CC=CC2=C1OCO2 CC01710 [0,1,0,1,0,0|0,0,0]=2 73 B11R2.106 IC1=CC=CC2=C1OCC2 CC00911 [0,1,0,1,0,0|1,0,0]=3 74 B11R2.106 NC1=CC=CC2=C1OCC2 CC00914 [0,1,0,1,0,0|1,0,0]=3 75 B11R2.106 NC1=CC=CC2=NON=C12 BTB13048 [0,1,0,1,0,0|2,0,0]=4 76 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 CC06610 [0,1,0,1,0,0|1,0,1]=4 77 B11R2.20 C1=CC2=C(N=C1)NCCO2 CC60830 [0,1,0,1,0,0|2,0,0]=4 78 B11R2.20 C1=CC=C2OCCNC2=C1 MAY00300 [0,1,0,1,0,0|1,0,0]=3 79 B11R2.1 BrC1=COC2=C1C=CC=C2 CC27510 [0,1,0,1,0,0|1,0,1]=4 80 B11R2.1 ClC1=NOC2=C1C=CC=C2 MO00450 [0,1,0,1,0,0|2,0,0]=4 81 B11R2.1 OC1=NOC2=C1C=CC=C2 RF01278 [0,1,0,1,0,0|1,0,0]=3 82 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 CC07110 [0,1,0,1,0,0|1,0,1]=4 83 B11R2.36 BrC1=CC2=C(C=C1)OCC2 CC00810 [0,1,0,1,0,0|1,0,0]=3 84 B11R2.36 NC1=CC2=C(C=C1)OC=C2 CC07114 [0,1,0,1,0,0|1,0,1]=4 85 B11R2.36 NC1=CC2=C(C=C1)OCC2 NP43803 [0,1,0,1,0,0|1,0,0]=3