0 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 D0879 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 A1489 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 A5381 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.59 CC(=O)C1=C(Cl)SC(Cl)=C1 A3757 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.59 CC1=C(C(=O)O)NC(=O)N1 D4435 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.59 CC1=CC(C(=N)N)=C(C)O1 D16850 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 D7475 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 D15082 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 D15080 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 D7443 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.59 CC1=NN(C)C(C(=O)Cl)=C1 D7476 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 D15147 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.22 CC1=CC(C)=C(C=O)N1 D15105 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.22 CC1=NC(C=O)=C(C)O1 D16214 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.35 CC(=O)C1=CC=C(Br)S1 A3938 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.35 CC(=O)C1=CNC(C)=N1 A12830 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.35 CC1=CC(C(=O)O)=CN1 M16417 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.35 CC1=CC(C(=O)O)=CN1 M16417 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.35 CC1=NC=C(C(=O)O)S1 M15609 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.35 CC1=NC=C([N+](=O)[O-])N1 M0158 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.35 CC1=NNC(C(=O)O)=C1 M12250 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.35 NC1=NC=C([N+](=O)[O-])S1 A0593 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.35 O=C(O)C1=CC=C(Br)S1 B9313 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.35 O=C(O)C1=CN=C(Br)S1 B14465 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.35 O=[N+]([O-])C1=CN=C(Br)S1 B9406 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.41 CC1=C(C(=O)O)SC=C1 M0715 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.41 CC1=C(C(=O)O)SC=N1 M15610 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.41 CN1N=CC=C1C(=O)O M17588 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.41 NC(=O)C1=C(N)N=CN1 A0775 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.41 NC(=O)C1=C(N)N=CN1 A0775 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 C8239 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.41 O=C(O)C1=C(Br)C=CS1 B9312 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.41 O=C(O)C1=C(Br)C=CS1 B9312 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.41 O=C(O)C1=C(Cl)C=CS1 C7552 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.50 CCC1=NC(C)=C(C(=O)O)S1 E0655 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.225 CC1=NN(C)C(C(=O)NN)=C1 D15149 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.225 COC(=O)C1=C(C)N=C(N)S1 M7912 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.646 CC1=NC(C)=C(S(=O)(=O)Cl)S1 D9525 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.74 CC1=CC(C(=O)Cl)=CC(Cl)=N1 C8587 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 D3213 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 D0285 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.166 CC1=C(C(=O)O)C=NC(N)=N1 A14668 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 D18767 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 C7883 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.166 CC1=NC=C(C(=O)O)C(C)=N1 D14251 [0,0,0,0,0,1|2,0,0]=3 45 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=N1 B14139 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.167 CC1=NC=C(Cl)C(C(=O)O)=N1 C14140 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.645 CC1=C(CC(=O)O)SC(=S)N1 M17853 [0,0,0,0,0,1|2,0,1]=4 48 B11R1.645 CC1=C(CC(=O)O)SC(S)=N1 M3431 [0,0,0,0,0,1|2,0,0]=3 49 B11R1.645 CC1=NC(CC(=O)O)=C(C)S1 D7871 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.1 C(=O)C1=CC=C(C)S1 M5366 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.1 CC1=NC=C(C=O)S1 M15635 [2,0,0,0,0,0|0,0,0]=2 52 B8R1.1 CN1C=C(C=O)C=N1 M11562 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.1 NC1=NC=C(C=O)S1 A18207 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.1 NC1=NC=C(C=O)S1 A4535 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.1 O=CC1=CN=C(Br)S1 B14493 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.11 C(=O)C1=C(C)C=CS1 M0714 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.11 C=CC1=C(C)N=CS1 V6715 [2,0,0,0,0,0|0,0,1]=3 58 B8R1.11 CC1=C(C=O)N=CN1 M12761 [2,0,0,0,0,0|1,0,1]=4 59 B8R1.11 CC1=C(C=O)SC=N1 T6714 [2,0,0,0,0,0|0,0,0]=2 60 B8R1.11 O=CC1=C(Br)C=CS1 B8637 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.18 CC1=NC(C)=C(Br)S1 B8669 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.18 CC1=NC(C)=C(C)S1 T11320 [2,0,0,0,0,0|0,0,0]=2 63 B8R1.7 CC(=O)C1=CC=CN1 A0582 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.7 CC(=O)C1=CC=CO1 A1473 [2,0,0,0,0,0|1,1,0]=4 65 B8R1.7 CC(=O)C1=CC=CS1 A0583 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.7 CC(=O)C1=CNC=C1 P7297 [2,0,0,0,0,0|1,0,1]=4 67 B8R1.7 CC(=O)C1=CNN=C1 A17999 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.7 CC(=O)C1=NC=CS1 A1214 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.7 O=C(O)C1=CC=CS1 T4980 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.7 O=C(O)C1=CC=CS1 T4980 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.7 O=C(O)C1=CN=CS1 T17631 [2,0,0,0,0,0|1,0,0]=3 72 B10R1.14 COC(=O)C1=CN=C(Br)S1 M15704 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.14 COC(=O)C1=COC(C)=N1 M3673 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.14 O=C(CBr)C1=CC=C(Cl)S1 B10632 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.14 O=C(CCl)C1=CC=C(Br)S1 B10633 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.31 CCC1=NC=C(C(=O)O)N1 E14802 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.149 COC(=O)C1=C(C)C=CO1 M4783 [1,1,0,0,0,0|1,1,0]=4 78 B10R1.149 COC(=O)C1=C(C)N=CS1 M7444 [1,1,0,0,0,0|0,0,0]=2 79 B10R1.149 COC(=O)C1=C(N)C=CS1 A4697 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.192 CC(=O)C1=C(C)NC=C1C D4109 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.192 CC(=O)C1=C(C)NN=C1C D15148 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.358 COC(=O)C1=NC(Cl)=NC(C)=C1 M13736 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.511 CC(=O)C1=CC(C)=CC(C)=C1O D7643 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.276 COCC1=C(C(=O)O)SC(C)=N1 E4534 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.608 COC(=O)C1=C(C)OC(CO)=C1 H14922 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.313 CC1=CC(C(=O)CC#N)=C(C)O1 D7583 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.313 CCOC(=O)C1=C(C)C=C(C)N1 D7750 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 E4525 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.313 CCOC(=O)C1=CC(C)=NN1C E7769 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.61 CC(=O)C1=C(C)N=CC=N1 A3758 [0,0,1,1,0,0|1,0,1]=4 91 B10R2.2 CC1=NC2=C(C=CS2)S1 M11091 [1,0,0,1,0,0|1,0,1]=4 92 B10R1.8 C(=O)C1=CC(C)=CC(C)=C1 D5519 [1,0,0,0,0,1|2,0,0]=4 93 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B11426 [1,0,0,0,0,1|2,0,0]=4 94 B10R1.13 CC1=CC=C(C(=O)O)C=N1 M5526 [1,0,0,0,0,1|2,0,0]=4 95 B10R1.13 CC1=CC=C(C(=O)O)C=N1 M5526 [1,0,0,0,0,1|2,0,0]=4 96 B10R1.13 CC1=CN=C(C(=O)O)C=N1 M0470 [1,0,0,0,0,1|2,0,0]=4 97 B10R1.13 CC1=NC=C(C(=O)O)C=N1 M12568 [1,0,0,0,0,1|2,0,0]=4