0 B10R1.58 CN1N=C(C(=O)O)CC1=O 0724AD [0,0,0,0,0,0|4,0,0]=4 1 B10R1.58 OB(O)C1=CC(Br)=C(Cl)S1 Z7558 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.23 CC1=C(Br)C=C(C=O)S1 Y8586 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.23 O=CC1=CC(Cl)=C(Cl)S1 0381AC [1,0,0,0,0,0|1,0,0]=2 4 B9R1.35 CC(=O)C1=CC(C)=NO1 W6915 [1,0,0,0,0,0|2,1,0]=4 5 B9R1.35 CC(=O)C1=NC(C)=CN1 2011AB [1,0,0,0,0,0|3,0,0]=4 6 B9R1.35 CC1=CC(C(=O)O)=CO1 Y8297 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.35 CC1=CN=C(C(=O)[O-])S1 X8956 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.35 NC(=O)C1=CC=C(Br)N1 9191AA [1,0,0,0,0,0|2,1,0]=4 9 B9R1.35 NC1=CC=C(C(=O)O)N1 3677AC [1,0,0,0,0,0|2,0,0]=3 10 B9R1.35 NC1=CN=C(C(=O)O)S1 6796AB [1,0,0,0,0,0|2,0,0]=3 11 B9R1.35 NC1=CNC(C(=O)O)=C1 7817AA [1,0,0,0,0,0|2,0,0]=3 12 B9R1.35 NC1=NC(C(=O)O)=CN1 3411AC [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 O=C(O)C1=COC(F)=N1 X6415 [1,0,0,0,0,0|2,1,0]=4 14 B9R1.35 O=C(O)C1=CSC(F)=C1 2919AL [1,0,0,0,0,0|2,1,0]=4 15 B9R1.35 OB(O)C1=CC(Cl)=CS1 Z7475 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.35 OB(O)C1=CC(F)=CS1 6429AA [1,0,0,0,0,0|2,0,1]=4 17 B11R1.48 CC1=C(CN)C=C(C(=O)O)O1 3456AE [0,1,0,0,0,0|1,1,0]=3 18 B11R1.48 O=C(O)C1=CC(CCl)=C(Cl)S1 2512AD [0,1,0,0,0,0|0,0,0]=1 19 B11R1.226 COC(=O)C1=CC(Cl)=C(Cl)N1 3399AA [0,1,0,0,0,0|2,0,0]=3 20 B11R1.226 COC(=O)C1=CC(F)=C(Br)S1 5185AB [0,1,0,0,0,0|1,1,0]=3 21 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 1470AA [0,1,0,0,0,0|2,0,0]=3 22 B11R1.226 O=C(CCl)C1=CC(Cl)=C(Cl)S1 7298AE [0,1,0,0,0,0|2,0,0]=3 23 B11R1.21 CC1=C(F)N=C(C(=O)O)C=C1 3707AA [0,0,0,0,0,1|1,1,0]=3 24 B11R1.21 CC1=CC(C(=O)O)=CN=C1N 8550AA [0,0,0,0,0,1|2,0,0]=3 25 B11R1.21 CC1=CC(C(N)=O)=CC=C1N X8784 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.21 CC1=NC=C(C(=O)O)C=C1O 1540AC [0,0,0,0,0,1|2,0,0]=3 27 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)C=C1 3194AB [0,0,0,0,0,1|3,0,0]=4 28 B11R1.21 NC1=CN=C(C(=O)O)C=C1N 6504AA [0,0,0,0,0,1|3,0,0]=4 29 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 4575AC [0,0,0,0,0,1|2,1,0]=4 30 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 0899AQ [0,0,0,0,0,1|2,1,0]=4 31 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 5025AJ [0,0,0,0,0,1|3,0,0]=4 32 B11R1.74 CC(=O)C1=NC(C)=CC(Cl)=C1 4030AB [0,0,0,0,0,1|3,0,0]=4 33 B11R1.74 CC1=CC(C(=O)O)=NC(N)=N1 7630AE [0,0,0,0,0,1|2,0,0]=3 34 B11R1.74 CC1=CC(F)=CC(C(=O)O)=N1 1356AA [0,0,0,0,0,1|2,1,0]=4 35 B11R1.74 CC1=NC(N)=CC(C(=O)O)=N1 5813AC [0,0,0,0,0,1|3,0,0]=4 36 B11R1.74 NC1=NC(O)=CC(C(=O)O)=N1 8343AE [0,0,0,0,0,1|3,0,0]=4 37 B11R1.80 CC(=O)NC1=NC(C)=C(Br)S1 7288AD [0,0,0,0,0,1|2,1,0]=4 38 B11R1.80 CC1=NN(CC(=O)O)C=C1Cl 6056AD [0,0,0,0,0,1|3,0,0]=4 39 B8R1.1 CC1=CN=C(C=O)N1 9102AC [2,0,0,0,0,0|2,0,0]=4 40 B8R1.1 CC1=COC(C=O)=C1 2776AL [2,0,0,0,0,0|0,1,0]=3 41 B8R1.1 CC1=COC(C=O)=N1 4751AF [2,0,0,0,0,0|1,1,0]=4 42 B8R1.1 N#CC1=CC=C(Cl)S1 6946AB [2,0,0,0,0,0|1,0,1]=4 43 B8R1.1 O=CC1=CC(F)=CS1 3616AB [2,0,0,0,0,0|1,0,0]=3 44 B8R1.1 O=CC1=CC=C(F)S1 2922AL [2,0,0,0,0,0|0,1,0]=3 45 B8R1.18 ClC1=CC(I)=C(Cl)S1 3312AE [2,0,0,0,0,0|2,0,0]=4 46 B8R1.7 N=C(N)C1=CC=CS1 1905AJ [2,0,0,0,0,0|2,0,0]=4 47 B8R1.7 O=C(O)C1=CSC=N1 2475AE [2,0,0,0,0,0|2,0,0]=4 48 B8R1.7 O=C(O)C1=NN=CS1 6775AB [2,0,0,0,0,0|2,0,0]=4 49 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.7 O=C([O-])C1=CC=CO1 7350AF [2,0,0,0,0,0|0,1,1]=4 51 B8R1.7 O=C([O-])C1=CC=CO1 7351AF [2,0,0,0,0,0|0,1,1]=4 52 B10R1.14 COC(=O)C1=CC(F)=CN1 6491AB [1,1,0,0,0,0|2,0,0]=4 53 B10R1.14 COC(=O)C1=CC=C(Cl)O1 7113AJ [1,1,0,0,0,0|0,1,0]=3 54 B10R1.14 COC(=O)C1=CSC(Cl)=C1 0109AP [1,1,0,0,0,0|2,0,0]=4 55 B10R1.14 COC(=O)C1=NC=C(Cl)S1 X0356 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.31 NCC1=CC(C(=O)O)=CO1 3933AF [1,1,0,0,0,0|2,0,0]=4 57 B10R1.31 O=C(O)C1=CC=C(CO)N1 6865AC [1,1,0,0,0,0|2,0,0]=4 58 B10R1.31 O=CC1=CNC(C(=O)O)=C1 1061AC [1,1,0,0,0,0|1,0,1]=4 59 B10R1.55 O=S(=O)(F)C1=CC=C(Cl)S1 0507AQ [1,1,0,0,0,0|1,0,1]=4 60 B10R1.59 CC1=C(C(=O)O)SC(=S)N1 8512AB [1,1,0,0,0,0|2,0,0]=4 61 B10R1.59 CC1=C(C(=O)O)SC(I)=N1 X6570 [1,1,0,0,0,0|1,1,0]=4 62 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 3020AE [1,1,0,0,0,0|2,0,0]=4 63 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 0935AE [1,1,0,0,0,0|1,1,0]=4 64 B10R1.59 CC1=CC(N)=C(C(=O)O)N1 1661AC [1,1,0,0,0,0|2,0,0]=4 65 B10R1.59 CC1=CC(N)=C(C(=O)O)S1 0059AA [1,1,0,0,0,0|1,0,0]=3 66 B10R1.194 CC1=C(Br)C(C(=O)O)=NN1 0859AQ [1,1,0,0,0,0|2,0,0]=4 67 B10R1.194 CC1=CSC(C(=O)O)=C1N 1700AB [1,1,0,0,0,0|0,0,0]=2 68 B10R1.194 CC1=NSC(C(=O)O)=C1N 6314AB [1,1,0,0,0,0|1,0,0]=3 69 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 6984AC [0,1,0,0,0,1|1,1,0]=4 70 B12R1.48 CCC1=CC=C(C(=O)O)C=C1I 6156AJ [0,1,0,0,0,1|1,1,0]=4 71 B12R1.48 CSC1=C(Cl)C=C(C(C)=O)C=C1 3631AB [0,1,0,0,0,1|2,0,0]=4 72 B12R1.56 COC1=CC(C(=O)O)=CN=C1F Y3972 [0,1,0,0,0,1|1,1,0]=4 73 B12R1.232 CC1=C(N)C=C(F)C(C(=O)O)=C1 2624AJ [0,1,0,0,0,1|2,0,0]=4 74 B12R1.232 CC1=CC(Br)=C(Cl)C=C1C(=O)O Z0125 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.232 CC1=NC(C)=C(Cl)N=C1C(N)=O 3373AH [0,1,0,0,0,1|2,0,0]=4 76 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1Cl 2380AC [0,1,0,0,0,1|2,0,0]=4 77 B12R1.367 COC(=O)C1=CC(Br)=C(C)N=C1 4303AJ [0,1,0,0,0,1|1,1,0]=4 78 B12R1.367 COC(=O)C1=CNC(=O)C(C)=C1 7803AE [0,1,0,0,0,1|2,0,0]=4 79 B12R1.893 CC1=C(N)C(C)=C(C(=O)O)C=C1 2122AJ [0,1,0,0,0,1|2,0,0]=4 80 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1Cl 5380AC [0,1,0,0,0,1|2,0,0]=4 81 B12R1.893 O=C(O)C1=NC=C(Br)C(Cl)=C1Br 0811AC [0,1,0,0,0,1|2,0,0]=4 82 B12R1.893 O=C(O)C1=NC=C(Cl)C(Cl)=C1Cl 7850AB [0,1,0,0,0,1|2,0,0]=4 83 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1N Z1761 [0,1,0,0,0,1|1,1,0]=4 84 B12R1.1005 CC1=C(O)C=C(C(=O)O)C=C1O 5259AH [0,1,0,0,0,1|2,0,0]=4 85 B12R1.511 CC1=CC(C(=O)O)=C(I)C(C)=C1 0191AB [0,1,0,0,0,1|2,0,0]=4 86 B12R1.511 CC1=CC(F)=C(F)C(C(=O)O)=C1 Z1807 [0,1,0,0,0,1|1,1,0]=4 87 B12R1.511 CC1=CC(O)=C(O)C(C(=O)O)=C1 6542AE [0,1,0,0,0,1|2,0,0]=4 88 B12R1.511 NC1=C(Cl)N=C(Cl)N=C1C(=O)O 3613AA [0,1,0,0,0,1|2,0,0]=4 89 B12R1.63 COC(=O)C1=CC(Br)=C(C#N)S1 9921AB [0,2,0,0,0,0|2,0,0]=4 90 B12R1.63 COC(=O)C1=CC(Br)=C(C=O)S1 9920AB [0,2,0,0,0,0|2,0,0]=4 91 B12R1.68 CCC1=C(CN)C=C(C(=O)O)O1 0214AD [0,2,0,0,0,0|1,1,0]=4 92 B12R1.111 O=C(O)C1=CC([N+](=O)[O-])=C(Br)S1 4740AC [0,2,0,0,0,0|1,1,0]=4 93 B12R1.314 CCOC(=O)C1=CC(Cl)=C(Cl)S1 5579AA [0,2,0,0,0,0|1,0,0]=3 94 B12R1.362 COC(=O)C1=C(F)C(Br)=C(Br)S1 5184AB [0,2,0,0,0,0|1,1,0]=4 95 B12R1.362 COC(=O)C1=C(O)C(Br)=C(C)S1 2314AA [0,2,0,0,0,0|2,0,0]=4 96 B10R1.39 O=CC1=C(C(=O)O)SC=C1 0273AB [0,0,1,1,0,0|2,0,0]=4 97 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 8289AJ [0,0,1,1,0,0|1,0,1]=4 98 B10R1.118 CC1=C(Cl)N=C(Cl)C(=O)O1 4900AA [0,0,1,1,0,0|2,0,0]=4 99 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 6878AC [1,0,0,0,0,1|2,0,0]=4 100 B10R1.8 CC1=NC(C=O)=CC(Cl)=N1 5811AC [1,0,0,0,0,1|2,0,0]=4 101 B10R1.54 CC(=O)NC1=CC=C(Br)S1 Z5031 [1,0,0,0,0,1|1,1,0]=4