0 B9R1.6 N=C(N)C1=CC=CC=N1 RF01042 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.6 N=C(N)C1=CC=NC=C1 CD05159 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.6 O=C(Cl)C1=NC=CN=C1 CC03402 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 O=C(O)C1=CN=CN=C1 CC07401 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.2 ClCC1=NC=CC=N1 MAY00188 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.2 OCC1=NC=CN=C1 CC03409 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.13 O=C(O)C1=NN=C(O)C=C1 BTB07063 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.13 O=C([O-])C1=NN=C(Cl)C=C1 MAY00098 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.15 N\C(=N/O)C1=CC=CC=C1 RF01827 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.15 O=C(CBr)C1=NC=CC=C1 CC04005 [0,1,0,0,0,0|0,0,0]=1 15 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.61 NC1=C(C(=O)O)C=CN=C1 SP00054 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.61 NC1=C(C(=O)O)C=NC=C1 MAY00123 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 NP44172 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.61 O=C(O)C1=CC=NC=C1Br NP44275 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 SPB06910 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SPB06649 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 NP43738 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 MO08498 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.7 CC(=O)C1=CC=NN1 SPB05355 [0,0,0,0,1,0|1,0,1]=3 29 B8R1.7 N=C(N)C1=COC=C1 MO00101 [0,0,0,0,1,0|3,0,0]=4 30 B8R1.7 NC(=S)C1=COC=C1 MO00105 [0,0,0,0,1,0|2,1,0]=4 31 B8R1.7 O=C(Cl)C1=CC=NO1 CC10302 [0,0,0,0,1,0|3,0,0]=4 32 B8R1.7 O=C(O)C1=CC=NO1 CC10301 [0,0,0,0,1,0|3,0,0]=4 33 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [0,0,0,0,1,0|2,0,0]=3 34 B8R1.7 O=C(O)C1=CSN=N1 SEW00600 [0,0,0,0,1,0|3,0,0]=4 35 B8R1.7 O=C(O)C1=NC=CN1 CC08901 [0,0,0,0,1,0|2,0,0]=3 36 B8R1.7 O=C(O)C1=NC=CS1 CC09501 [0,0,0,0,1,0|2,0,0]=3 37 B8R1.7 O=C(O)C1=NNC=C1 NP44158 [0,0,0,0,1,0|2,0,0]=3 38 B8R1.7 O=C(O)C1=NON=C1 CC07901 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.18 NC(N)=NC1=CC=CC=C1 BTB10165 [0,0,0,0,0,1|3,0,0]=4 40 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [1,1,0,0,0,0|1,0,0]=3 41 B9R1.1 O=CC1=CC=C(Br)C=C1 SB01132 [1,1,0,0,0,0|1,0,0]=3 42 B9R1.1 OCC1=NC=C(Br)C=C1 MO07897 [1,1,0,0,0,0|0,0,2]=4 43 B9R1.2 CC1=NC(CO)=CC=C1 RJC03579 [1,1,0,0,0,0|0,0,2]=4 44 B9R1.2 CCC1=CC=CC(Br)=C1 TL00571 [1,1,0,0,0,0|1,0,1]=4 45 B9R1.2 CNC1=CC(Cl)=CC=C1 TL00250 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.2 COC1=CC=CC(N)=N1 MO08464 [1,1,0,0,0,0|1,0,0]=3 47 B9R1.2 O=CC1=CC(Br)=NC=C1 NP42975 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.2 O=CC1=CC(Cl)=NC=C1 CC53604 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.2 O=CC1=NC(Br)=CC=C1 MO07535 [1,1,0,0,0,0|0,0,0]=2 50 B9R1.15 COC1=NC=CC=C1N SPB07839 [1,1,0,0,0,0|1,0,0]=3 51 B9R1.15 N#CC1=NC=CC=C1F MO07483 [1,1,0,0,0,0|1,0,1]=4 52 B9R1.15 O=CC1=CC=NC=C1Br NP39808 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.15 O=CC1=NC=CC=C1F CC30904 [1,1,0,0,0,0|0,0,0]=2 54 B9R1.11 COC(=O)C1=NNC=C1 MAY00321 [0,1,0,0,1,0|1,0,0]=3 55 B9R1.11 NNC(=O)C1=CC=CN1 RF02986 [0,1,0,0,1,0|1,0,1]=4 56 B9R1.11 NNC(=O)C1=CC=CO1 BTB07860 [0,1,0,0,1,0|2,0,0]=4 57 B9R1.11 O=C(CBr)C1=CC=CS1 CC13005 [0,1,0,0,1,0|1,0,0]=3 58 B9R1.11 O=C(CBr)C1=CSC=C1 CC13105 [0,1,0,0,1,0|1,0,0]=3 59 B9R1.11 O=C(CBr)C1=NC=CS1 CC09505 [0,1,0,0,1,0|1,0,0]=3 60 B9R1.35 CC(=O)C1=CC(Br)=CS1 KM10200 [0,1,0,0,1,0|1,0,0]=3 61 B9R1.35 CC1=CC(C(=O)Cl)=NO1 CC10402 [0,1,0,0,1,0|2,0,0]=4 62 B9R1.35 CC1=CC(C(=O)O)=NN1 SPB07714 [0,1,0,0,1,0|2,0,0]=4 63 B9R1.35 CC1=CC=C(C(=O)Cl)S1 CC65002 [0,1,0,0,1,0|2,0,0]=4 64 B9R1.35 CC1=CSC(C(=O)O)=C1 GK01984 [0,1,0,0,1,0|2,0,0]=4 65 B9R1.35 CC1=CSC(C(=O)O)=N1 NP42936 [0,1,0,0,1,0|2,0,0]=4 66 B9R1.35 CC1=NC(C(=O)O)=CO1 CC57901 [0,1,0,0,1,0|2,0,0]=4 67 B9R1.35 CC1=NC(C(=O)O)=CS1 CC05701 [0,1,0,0,1,0|2,0,0]=4 68 B9R1.35 CN1C=CC(C(=O)Cl)=N1 CC48302 [0,1,0,0,1,0|2,0,0]=4 69 B9R1.35 CN1C=CC(C(=O)O)=N1 CC48301 [0,1,0,0,1,0|2,0,0]=4 70 B9R1.35 O=C(O)C1=CC(Br)=CS1 CC28501 [0,1,0,0,1,0|2,0,0]=4 71 B9R1.41 O=C(Cl)C1=C(Br)C=CO1 CC67202 [0,1,0,0,1,0|2,0,0]=4 72 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 GK01307 [0,1,0,0,1,0|2,0,0]=4 73 B9R1.41 O=C(O)C1=C(Br)C=CO1 CC67201 [0,1,0,0,1,0|2,0,0]=4 74 B9R1.41 O=C(O)C1=C(Br)OC=C1 CC64701 [0,1,0,0,1,0|2,0,0]=4 75 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 BTB10319 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.21 NC(=O)C1=CC(Cl)=C(F)C=C1 BTB03706 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.22 O=C(CO)C1=CC=C(Br)C=C1 TL00596 [0,2,0,0,0,0|1,0,0]=3 78 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [0,2,0,0,0,0|1,0,0]=3 79 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 TL00910 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.166 CC1=CC=C(C(=O)O)C(N)=C1 TL00555 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.166 CC1=CC=C(C(N)=O)C(N)=C1 TL00794 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 MO08502 [0,2,0,0,0,0|1,0,0]=3 83 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 CC53605 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 SPB06322 [0,2,0,0,0,0|1,0,0]=3 85 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 MAY00104 [0,2,0,0,0,0|1,0,1]=4 86 B11R1.222 CC1=CC=CN=C1\C(N)=N\O MO01289 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.222 COC(=O)C1=CC=CN=C1N KM07908 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl SPB06335 [0,2,0,0,0,0|1,0,0]=3 89 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1F SPB06439 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O BTB10071 [0,2,0,0,0,0|1,0,0]=3 91 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br MO07275 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BTB04130 [0,2,0,0,0,0|1,0,0]=3 93 B11R1.167 CC1=C(C(N)=O)C=C(F)C=C1 TL00714 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.167 O=C(O)C1=C(F)C=CC(F)=N1 MAY00214 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.74 NC(=O)C1=CC(Br)=CC(Br)=C1 SEW04141 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 MO07975 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.266 NC(=O)C1=CC=CC(CCl)=C1 S08130 [0,2,0,0,0,0|2,0,0]=4 98 B11R2.10 OC1=NC2=C(C=CC=N2)O1 SPB06586 [0,0,0,1,0,1|1,0,1]=4 99 B11R2.10 SC1=NC2=C(N=CC=C2)S1 RH00329 [0,0,0,1,0,1|1,1,0]=4 100 B7R1.1 O=CC1=CC=CN1 CC08704 [1,0,0,0,1,0|0,0,1]=3 101 B7R1.1 O=CC1=CNC=N1 CC08804 [1,0,0,0,1,0|1,0,0]=3 102 B7R1.1 O=CC1=CSN=N1 SP01373 [1,0,0,0,1,0|2,0,0]=4 103 B11R1.91 CN(C)CCC1=NC=CC=C1 SB01680 [0,0,0,0,0,2|2,0,0]=4