0 B10R1.66 CC(=O)CCC1=CC=CO1 8369AE [0,0,0,0,0,0|0,0,0]=0 1 B10R1.66 CC(=O)CCN1C=CC=N1 2604AF [0,0,0,0,0,0|2,0,0]=2 2 B10R1.66 CN(C)CCN1C=CC=N1 1505AA [0,0,0,0,0,0|4,0,0]=4 3 B10R1.66 CN(C)\N=C\C1=CC=CO1 0768AQ [0,0,0,0,0,0|3,0,1]=4 4 B10R1.66 NC(=O)NCC1=CC=CO1 8875AB [0,0,0,0,0,0|2,0,0]=2 5 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.66 O=C(O)CCC1=CNC=N1 Y6981 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.66 O=C(O)CCN1C=CN=C1 W4087 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.66 O=C(O)CNC1=CSC=C1 Z5612 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.12 CCCCC1=CC=CO1 5552AL [1,0,0,0,0,0|0,0,1]=2 10 B9R1.12 CCCCC1=NN=CO1 6161AC [1,0,0,0,0,0|2,0,1]=4 11 B9R1.12 CNCCC1=CC=CS1 8340AC [1,0,0,0,0,0|1,1,0]=3 12 B9R1.12 NCCCC1=CC=CO1 3731AE [1,0,0,0,0,0|1,0,1]=3 13 B9R1.12 NCCCC1=CC=CS1 6482AE [1,0,0,0,0,0|1,1,1]=4 14 B9R1.12 O=C=NCC1=CC=CS1 8554AE [1,0,0,0,0,0|1,1,1]=4 15 B9R1.12 O=CCCN1C=CC=N1 5129AH [1,0,0,0,0,0|2,0,0]=3 16 B9R1.12 S=C=NCC1=CC=CO1 4029AE [1,0,0,0,0,0|1,1,1]=4 17 B11R1.25 CNC(C)CCC1=CC=CO1 5055AD [0,1,0,0,0,0|1,0,1]=3 18 B11R1.25 COC(=O)CCC1=CC=CS1 8609AA [0,1,0,0,0,0|0,1,0]=2 19 B11R1.25 COC(=O)CCC1=CNC=N1 4241AJ [0,1,0,0,0,0|2,0,0]=3 20 B11R1.25 NCC(=O)NCC1=CC=CO1 0043AD [0,1,0,0,0,0|1,0,0]=2 21 B11R1.35 NC(CC1=COC=C1)C(=O)O 4688AB [0,1,0,0,0,0|3,0,0]=4 22 B11R1.35 NC(CC1=CSC=C1)C(=O)O 4687AB [0,1,0,0,0,0|3,0,0]=4 23 B11R1.35 NC(CC1=NC=CS1)C(=O)O 0260AA [0,1,0,0,0,0|2,1,0]=4 24 B11R1.35 NC(CN1C=CC=N1)C(=O)O 1495AJ [0,1,0,0,0,0|3,0,0]=4 25 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O Q849 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O Q870 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O Q850 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O 3479AL [0,1,0,0,0,0|3,0,0]=4 29 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O 7655AA [0,1,0,0,0,0|3,0,0]=4 30 B11R1.75 CC1=CC=C(CCC(=O)O)S1 2246AL [0,1,0,0,0,0|1,1,0]=3 31 B11R1.75 CC1=CC=C(CNC(C)C)O1 0886AF [0,1,0,0,0,0|2,0,1]=4 32 B11R1.75 CC1=CN(CCC(=O)O)N=C1 4635AE [0,1,0,0,0,0|3,0,0]=4 33 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 9960AE [0,1,0,0,0,0|2,0,0]=3 34 B11R1.75 O=C(O)CCC1=CC(O)=NO1 9328AE [0,1,0,0,0,0|2,0,0]=3 35 B11R1.75 O=C(O)CCN1C=C(Br)C=N1 3332AF [0,1,0,0,0,0|3,0,0]=4 36 B11R1.77 CC(CC(=O)O)N1C=CC=N1 2163AF [0,1,0,0,0,0|3,0,0]=4 37 B11R1.77 NC(CC(=O)O)C1=CC=CO1 1415AC [0,1,0,0,0,0|1,0,0]=2 38 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 5899AA [0,1,0,0,0,0|1,1,0]=3 39 B11R1.90 CC1=CC=NN1CCC(=O)O 6060AD [0,1,0,0,0,0|3,0,0]=4 40 B11R1.510 CC(C)(C)NCC1=CC=CO1 9662AC [0,1,0,0,0,0|2,0,1]=4 41 B11R2.36 CC1=CC2=C(C=C1)OC=C2 6383AJ [0,0,0,1,0,0|1,0,2]=4 42 B9R1.13 CC(=O)CC1=CC=CS1 4644AD [0,0,0,0,1,0|0,1,0]=2 43 B9R1.13 CC(=O)CC1=CSC=C1 1470AL [0,0,0,0,1,0|2,0,0]=3 44 B9R1.13 CC(=O)CN1C=CN=C1 3690AD [0,0,0,0,1,0|3,0,0]=4 45 B9R1.13 CC(=O)NC1=CC=CS1 D141 [0,0,0,0,1,0|1,1,0]=3 46 B9R1.13 CC(N)CC1=CC=CO1 8493AB [0,0,0,0,1,0|1,0,1]=3 47 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [0,0,0,0,1,0|0,0,2]=3 48 B9R1.13 CN(C)CC1=CC=CN1 4514AD [0,0,0,0,1,0|3,0,0]=4 49 B9R1.13 CN(C)CC1=CC=CS1 2203AB [0,0,0,0,1,0|2,1,0]=4 50 B9R1.13 N=C(N)CC1=CC=CS1 7341AE [0,0,0,0,1,0|2,1,0]=4 51 B9R1.13 O=C(O)CC1=CC=CN1 2447AC [0,0,0,0,1,0|2,0,0]=3 52 B9R1.13 O=C(O)CC1=CN=CN1 7355AE [0,0,0,0,1,0|3,0,0]=4 53 B9R1.13 O=C(O)CC1=CNC=C1 3621AC [0,0,0,0,1,0|3,0,0]=4 54 B9R1.13 O=C(O)CC1=CSC=N1 5235AJ [0,0,0,0,1,0|3,0,0]=4 55 B9R1.13 O=C(O)CC1=NC=CN1 6377AD [0,0,0,0,1,0|3,0,0]=4 56 B9R1.13 O=C(O)CC1=NC=CN1 9876AA [0,0,0,0,1,0|3,0,0]=4 57 B9R1.13 O=C(O)CC1=NC=CS1 W4072 [0,0,0,0,1,0|2,1,0]=4 58 B9R1.13 O=C(O)CC1=NNC=C1 1006AJ [0,0,0,0,1,0|3,0,0]=4 59 B9R1.13 O=C(O)CC1=NOC=C1 9989AH [0,0,0,0,1,0|3,0,0]=4 60 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [0,0,0,0,0,1|3,0,0]=4 61 B11R1.91 CC(=O)COC1=CC=CC=C1 X5334 [0,0,0,0,0,1|2,0,0]=3 62 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [0,0,0,0,0,1|2,0,0]=3 63 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [0,0,0,0,0,1|3,0,0]=4 64 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [0,0,0,0,0,1|2,0,0]=3 65 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 E582 [0,0,0,0,0,1|3,0,0]=4 66 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [0,0,0,0,0,1|2,0,0]=3 67 B11R1.91 O=C(O)COC1=CN=CC=C1 1038AF [0,0,0,0,0,1|3,0,0]=4 68 B11R1.91 O=C(O)CSC1=NC=CC=C1 7051AC [0,0,0,0,0,1|3,0,0]=4 69 B11R1.172 O=C(O)CCCN1C=CC=N1 8733AC [0,0,0,0,0,1|3,0,0]=4 70 B11R1.172 O=C(O)CSCC1=CC=CO1 2370AF [0,0,0,0,0,1|1,0,0]=2 71 B11R1.172 O=C(O)CSCC1=CC=CS1 4298AE [0,0,0,0,0,1|1,1,0]=3 72 B8R0.7 C=CCOCCC(=O)O 7716AD [1,0,1,0,0,0|1,0,1]=4 73 B8R1.8 BrCCC1=CC=CS1 Z5496 [2,0,0,0,0,0|1,1,0]=4 74 B8R1.8 CCCC1=CC=CO1 Z5525 [2,0,0,0,0,0|0,0,0]=2 75 B8R1.8 CCCC1=CSC=C1 Z5466 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.8 CCCC1=NN=CO1 5829AA [2,0,0,0,0,0|2,0,0]=4 77 B8R1.8 CCNC1=CC=CS1 W4294 [2,0,0,0,0,0|1,1,0]=4 78 B8R1.8 CNCC1=CC=NO1 4172AJ [2,0,0,0,0,0|2,0,0]=4 79 B8R1.8 NCCC1=CC=CN1 1070AJ [2,0,0,0,0,0|2,0,0]=4 80 B8R1.8 NCCC1=CC=CN1 5556AB [2,0,0,0,0,0|2,0,0]=4 81 B10R1.11 CCCC(=O)C1=CC=CO1 Z5524 [1,1,0,0,0,0|0,0,2]=4 82 B10R1.11 CCCC(N)C1=CC=CS1 4090AE [1,1,0,0,0,0|0,1,1]=4 83 B10R1.16 CCNCC1=CC=C(C)O1 5879AD [1,1,0,0,0,0|1,0,1]=4 84 B10R1.21 CNCCCC1=CC=CO1 5597AD [1,1,0,0,0,0|0,0,1]=3 85 B10R1.21 OCCNCC1=CC=CO1 3755AE [1,1,0,0,0,0|0,0,2]=4 86 B10R1.23 CC(C(=O)O)C1=CC=CS1 7991AB [0,1,0,0,1,0|1,1,0]=4 87 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 Z5876 [0,1,0,0,1,0|1,1,0]=4 88 B10R1.54 CC1=CC=C(CC(=O)O)S1 0941AC [0,1,0,0,1,0|1,1,0]=4 89 B10R1.64 CN1C=CC=C1CC(=O)O W4519 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2186AC [0,1,0,0,0,1|1,0,0]=3 91 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [0,1,0,0,0,1|1,0,0]=3 92 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 5859AD [0,1,0,0,0,1|2,0,0]=4 93 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 0915AF [0,1,0,0,0,1|2,0,0]=4 94 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [0,1,0,0,0,1|1,0,0]=3 95 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [0,1,0,0,0,1|1,0,0]=3 96 B12R1.27 COC(=O)CCC1=CN=CN=C1 X7986 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.27 NCC(=O)NCC1=CC=CN=C1 2265AD [0,1,0,0,0,1|2,0,0]=4 98 B12R1.27 NCC(=O)NCC1=CC=NC=C1 1843AD [0,1,0,0,0,1|2,0,0]=4 99 B12R1.27 NCC(=O)NCC1=NC=CC=C1 1909AD [0,1,0,0,0,1|2,0,0]=4 100 B12R1.27 NNC(=O)CCC1=CN=CC=C1 9437AJ [0,1,0,0,0,1|2,0,0]=4 101 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [0,1,0,0,0,1|2,0,0]=4 102 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 6856AC [0,1,0,0,0,1|2,0,0]=4 104 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [0,1,0,0,0,1|2,0,0]=4 105 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O X2941 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.43 O=C(O)C(O)CC1=CN=CC=C1 4393AH [0,1,0,0,0,1|2,0,0]=4 107 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.107 CC(CC(=O)O)C1=CN=CC=C1 3138AF [0,1,0,0,0,1|2,0,0]=4 109 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [0,1,0,0,0,1|1,0,0]=3 110 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [0,1,0,0,0,1|1,0,0]=3 111 B12R1.226 NC(=O)CCC1=CC(Br)=CC=C1 5635AJ [0,1,0,0,0,1|2,0,0]=4 112 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 0483AC [0,1,0,0,0,1|2,0,0]=4 113 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 8241AC [0,1,0,0,0,1|1,0,0]=3 114 B12R1.260 CC(CC(=O)O)SC1=CC=CS1 3512AA [0,1,0,0,0,1|1,1,0]=4 115 B12R1.260 C[C@@H](CC(=O)O)SC1=CC=CS1 Z2149 [0,1,0,0,0,1|1,1,0]=4 116 B12R1.260 N[C@H](CC(=O)O)CC1=CC=CO1 4422AH [0,1,0,0,0,1|1,0,0]=3 117 B12R1.477 NCC(O)COCC1=CC=CO1 5185AE [0,1,0,0,0,1|0,0,2]=4 118 B12R1.477 O=C(CCl)NCCC1=CC=CS1 3929AD [0,1,0,0,0,1|0,1,0]=3 119 B12R1.26 COC(=O)CCN1C=C(Br)C=N1 7251AC [0,2,0,0,0,0|2,0,0]=4 120 B12R1.51 CCOC(=O)CCC1=CSC=C1 6952AC [0,2,0,0,0,0|2,0,0]=4 121 B12R1.51 N#CCC(=O)NCC1=CC=CS1 1061AE [0,2,0,0,0,0|1,1,0]=4 122 B12R1.51 NCCC(=O)NCC1=CC=CO1 2260AD [0,2,0,0,0,0|1,0,0]=3 123 B12R1.51 O=C(CCCl)NCC1=CC=CO1 7254AE [0,2,0,0,0,0|1,0,0]=3 124 B12R1.59 COC1=NOC(CCC(=O)O)=C1 5002AE [0,2,0,0,0,0|2,0,0]=4 125 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [0,0,1,1,0,0|1,0,1]=4 126 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,0,1,1,0,0|1,0,1]=4 127 B10R2.32 O=C1CCC2=C1SC=C2 W7014 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [0,0,0,1,0,1|2,0,0]=4 129 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [0,0,0,1,0,1|2,0,0]=4 130 B12R2.24 O=C1CCC2=C(N=CC=C2)N1 5286AB [0,0,0,1,0,1|2,0,0]=4 131 B12R2.24 O=C1CSC2=CC=CC=C2C1 4666AJ [0,0,0,1,0,1|2,0,0]=4 132 B12R2.114 O=C1CCCC2=C(C=CS2)N1 Z4781 [0,0,0,1,0,1|1,1,0]=4 133 B12R2.1354 O=C(O)C1CC1C2=CC=CS2 1904AJ [0,0,0,1,0,1|1,1,0]=4 134 B8R1.7 CC(=O)C1=COC=C1 7011AA [0,0,0,0,2,0|2,0,0]=4 135 B8R1.7 CC(N)C1=CC=CO1 7556AD [0,0,0,0,2,0|1,0,1]=4 136 B8R1.7 NC(=O)C1=CN=CO1 Y7670 [0,0,0,0,2,0|2,0,0]=4 137 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [0,0,0,0,2,0|2,0,0]=4 138 B10R1.17 CCCCC1=CC=NC=C1 Y9365 [1,0,0,0,0,1|1,0,1]=4 139 B10R1.17 CCCCC1=NC=CC=C1 S413 [1,0,0,0,0,1|1,0,1]=4 140 B10R1.17 CNCCC1=CC=NC=C1 5552AE [1,0,0,0,0,1|2,0,0]=4 141 B10R1.17 CNCCC1=CC=NC=C1 5553AE [1,0,0,0,0,1|2,0,0]=4 142 B10R1.17 CNCCC1=CC=NC=C1 X8552 [1,0,0,0,0,1|2,0,0]=4 143 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [1,0,0,0,0,1|2,0,0]=4 144 B12R1.252 O=C(O)CCCC1=CC=NC=C1 7697AC [0,0,0,0,0,2|2,0,0]=4 145 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [0,0,0,0,0,2|2,0,0]=4 146 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z2473 [0,0,0,0,0,2|2,0,0]=4 147 B12R1.255 CN(C)CCNCC1=CC=CO1 6949AE [0,0,0,0,0,2|2,0,0]=4 148 B12R1.255 NC(=O)CCNCC1=CC=CO1 0752AF [0,0,0,0,0,2|1,0,0]=3 149 B12R1.255 NC(=O)CCNCC1=CC=CS1 7885AC [0,0,0,0,0,2|1,1,0]=4 150 B12R1.255 O=C(O)CCCCC1=CC=CS1 M841 [0,0,0,0,0,2|1,1,0]=4