0 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.61 CC1=C(B(O)O)C=CC=N1 NP43039 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.6 N=C(N)C1=CC=CC=N1 RF01042 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.6 O=C(Cl)C1=NC=CN=C1 CC03402 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.6 O=C(O)C1=CN=CN=C1 CC07401 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.15 COC1=CC=CN=C1Br NP43815 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.15 COC1=CC=CN=C1N NP45374 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.15 COC1=NC=CC=C1N SPB07839 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 N#CC1=NC=CN=C1Cl KM04911 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.15 O=CC1=NC=CC=C1F CC30904 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.53 COC1=NC=CC=C1C(=O)O KM01841 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] SPB06058 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.53 CSC1=NC=CC=C1C(=O)O BTB06287 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1O BTB10071 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BTB10056 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 TL00910 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.166 CC1=NC(Cl)=C(C(N)=O)C=C1 SPB04933 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.167 CC(=O)C1=CC(F)=CC=C1O BTB04130 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.167 CC1=C(C(N)=O)C=C(F)C=C1 TL00714 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.167 O=C(Cl)C1=C(Cl)N=CC(Cl)=C1 SPB06842 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.167 O=C(O)C1=C(F)C=CC(F)=N1 MAY00214 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.222 CC1=CC=CN=C1\C(N)=N\O MO01289 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.222 COC(=O)C1=CC=CN=C1N KM07908 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl SPB06335 [0,1,0,0,0,0|3,0,0]=4 28 B11R2.1 NC1=CSC2=NC=CN=C12 MO07822 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.41 CC1=C(C(=O)Cl)C=NO1 CC26302 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.41 CC1=C(C(=O)Cl)OC=N1 CC10002 [0,0,0,0,1,0|2,0,0]=3 31 B9R1.41 CC1=C(C(=O)Cl)SN=N1 CC02302 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.41 CC1=C(C(=O)O)OC=N1 CC10001 [0,0,0,0,1,0|2,0,0]=3 33 B9R1.41 CC1=C(C(=O)O)SC=N1 MO00777 [0,0,0,0,1,0|2,0,0]=3 34 B9R1.41 CC1=C(C(=O)O)SN=N1 CC02301 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.41 CC1=NOC=C1C(=O)O MO01252 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.41 NC1=NSN=C1C(=O)O MAY00178 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.41 O=C(Cl)C1=C(Br)C=CO1 CC67202 [0,0,0,0,1,0|3,0,0]=4 38 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 GK01307 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.41 O=C(O)C1=C(Br)C=CO1 CC67201 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.41 O=C(O)C1=C(Br)OC=C1 CC64701 [0,0,0,0,1,0|3,0,0]=4 41 B8R1.2 OCC1=NC=CN=C1 CC03409 [2,0,0,0,0,0|0,0,2]=4 42 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.5 CC1=CC=CNC1=O CD09405 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.15 O=C(CBr)C1=NC=CC=C1 CC04005 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.39 COC1=C(C(=O)O)SC=C1 CC68601 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.59 CC(=O)C1=C(C)C=C(C)N1 SEW06333 [0,1,0,0,1,0|0,0,1]=3 50 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 MO00751 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 CC01102 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.59 CC1=NC(C(=O)Cl)=C(C)O1 CC26802 [0,1,0,0,1,0|2,0,0]=4 53 B10R1.59 CC1=NC(C(=O)O)=C(C)O1 CC26801 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CC05801 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 CC12501 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.149 COC(=O)C1=C(Br)C=CS1 SEW02691 [0,1,0,0,1,0|2,0,0]=4 57 B10R1.149 COC(=O)C1=C(Br)OC=C1 CC64722 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.149 COC(=O)C1=C(N)SC=C1 GK02784 [0,1,0,0,1,0|2,0,0]=4 59 B10R1.149 COC(=O)C1=C(O)C=CS1 SB01952 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.192 CC1=COC(C)=C1C(=O)Cl CC65802 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.192 CC1=COC(C)=C1C(=O)O CC65801 [0,1,0,0,1,0|2,0,0]=4 62 B10R1.192 CC1=NNC(C)=C1C(=O)O CC01201 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.192 CC1=NOC(C)=C1C(=O)Cl CC00602 [0,1,0,0,1,0|2,0,0]=4 64 B10R1.192 CC1=NOC(C)=C1C(=O)O CC00601 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.127 CC(=O)NC1=C(C)C=CC(N)=C1 BTB00549 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.233 CC(=O)NC1=CC=C(N)C=C1C BTB06485 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.261 O=C(O)C1=NC=CN=C1C(=O)O BTB07953 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.283 CCSC1=NC=CC=C1C(=O)O BTB06379 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.283 CCSC1=NC=CC=C1C(N)=O BTB06390 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 CD00248 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.308 CCOC(=O)C1=CC=CN=C1C NP43619 [0,2,0,0,0,0|1,0,0]=3 72 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 NRB01003 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.7 CC(=O)C1=CC=NN1 SPB05355 [1,0,0,0,1,0|1,0,0]=3 74 B8R1.7 O=C(Cl)C1=CC=NO1 CC10302 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.7 O=C(O)C1=CC=NO1 CC10301 [1,0,0,0,1,0|2,0,0]=4 76 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.7 O=C(O)C1=NC=CN1 CC08901 [1,0,0,0,1,0|1,0,1]=4 78 B8R1.7 O=C(O)C1=NC=CS1 CC09501 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.7 O=C(O)C1=NNC=C1 NP44158 [1,0,0,0,1,0|2,0,0]=4 80 B8R1.7 O=C(O)C1=NON=C1 CC07901 [1,0,0,0,1,0|2,0,0]=4 81 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [1,0,0,0,1,0|1,0,0]=3 82 B8R1.11 CC1=C(C=O)NC=N1 SB01366 [1,0,0,0,1,0|0,0,1]=3 83 B8R1.11 CC1=C(C=O)SC=N1 NP42997 [1,0,0,0,1,0|1,0,0]=3 84 B8R1.11 CN1N=CC=C1C=O CC62304 [1,0,0,0,1,0|1,0,0]=3 85 B8R1.11 O=CC1=C(Br)C=CS1 SEW01928 [1,0,0,0,1,0|2,0,0]=4 86 B8R1.11 O=CC1=C(Br)SC=C1 CC56604 [1,0,0,0,1,0|2,0,0]=4 87 B8R1.11 O=CC1=C(Cl)C=CS1 SEW06567 [1,0,0,0,1,0|2,0,0]=4