0 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 DY798153 [0,0,0,0,0,0|0,0,2]=2 1 B13R1.348 CC(C)NC(=S)NC1=CC=CC=C1 DY791697 [0,0,0,0,0,0|2,1,0]=3 2 B13R1.348 O=C(C[N+](=O)[O-])NC1=CC=CC=C1 DY584628 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.32 CCNC(=S)NC1=CC=CC=C1 DY427354 [1,0,0,0,0,0|2,1,0]=4 4 B12R1.32 CCOC(=O)CC1=NC=CC=N1 NO12227 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.32 CN(CCO)CC1=CC=CC=C1 NO11755 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.32 CNCC(=O)NC1=CC=CC=C1 DY562887 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 DY623915 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.32 NCCC(F)CC1=CC=CC=C1 DY527259 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.252 CC(C)CNCC1=CC=NC=C1 DY611023 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.252 CN(C)CCOC1=CC=CC=C1 NO11261 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 NO20248 [1,0,0,0,0,0|2,0,0]=3 12 B14R1.417 CC(C)CC(O)C(=O)C1=CC=CC=C1 DY584426 [0,1,0,0,0,0|0,0,3]=4 13 B14R1.425 CC(=O)N(O)C(=O)CC1=CC=CC=C1 DY798093 [0,1,0,0,0,0|2,0,1]=4 14 B14R1.425 CC(C)C(Br)C(=O)NC1=CC=CC=C1 DY746749 [0,1,0,0,0,0|1,0,0]=2 15 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 NO22473 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.433 CN(CC1=CC=CC=C1)CC(C)(C)N DY578331 [0,1,0,0,0,0|2,0,0]=3 17 B14R1.698 CC(C)NC(=O)NC1=CC=C(O)C=C1 DY793275 [0,1,0,0,0,0|2,0,0]=3 18 B14R1.5978 CC1=CC=CC(CC(=O)CC(=O)O)=C1 DY105952 [0,1,0,0,0,0|2,0,1]=4 19 B14R1.5978 O=C(O)CC(=O)CC1=CC(Cl)=CC=C1 DY105946 [0,1,0,0,0,0|2,0,1]=4 20 B14R2.19 I[C@H]1CCN(CC2=CC=CC=C2)C1 DY664904 [0,0,0,1,0,0|3,0,0]=4 21 B14R2.19 NC1CCN(CC2=CC=CC=C2)C1 NO11457 [0,0,0,1,0,0|3,0,0]=4 22 B14R2.19 N[C@@H]1CCN(CC2=CC=CC=C2)C1 DY507884 [0,0,0,1,0,0|3,0,0]=4 23 B14R2.598 CC1CC(C2=CC=CC=C2)C(C)N1 DY585741 [0,0,0,1,0,0|2,0,1]=4 24 B14R2.598 O=C1CC(C2=CC=CC=C2)C(=O)O1 DY440514 [0,0,0,1,0,0|2,0,1]=4 25 B14R2.8189 CC1CC2=CC=CC=C2C(C)(C)C1 DY763871 [0,0,0,1,0,0|1,0,1]=3 26 B12R1.43 CC(C)C(=O)CC1=CC=CN=C1 DY714151 [0,0,0,0,1,0|1,0,0]=2 27 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 DY605141 [0,0,0,0,1,0|2,0,0]=3 28 B12R1.107 CC(Br)CC(C)C1=CC=CC=C1 DY747547 [0,0,0,0,1,0|2,0,1]=4 29 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 DY626041 [0,0,0,0,1,0|2,0,1]=4 30 B12R1.107 CC(C)N[C@H](C)C1=CC=CC=C1 DY622905 [0,0,0,0,1,0|2,0,1]=4 31 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 DY822243 [0,0,0,0,1,0|1,0,2]=4 32 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 DY459348 [0,0,0,0,1,0|2,0,1]=4 33 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 NO17400 [0,0,0,0,1,0|2,0,1]=4 34 B14R1.423 O=C(O)CNC(=O)Cc1ccccc1 DY438092 [0,0,0,0,0,1|2,0,1]=4 35 B11R1.28 BrCCCCC1=CC=CC=C1 DY519843 [2,0,0,0,0,0|1,0,1]=4 36 B11R1.28 BrCCOCC1=CC=CC=C1 NO10998 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.28 CCCCCC1=CC=CC=C1 DY745567 [2,0,0,0,0,0|0,0,1]=3 38 B11R1.28 CCO\C=N\C1=CC=CC=C1 DY566853 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.28 NCCOCC1=CC=CC=C1 NO20892 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.28 OCCCCC1=CC=CC=C1 NO11170 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.28 OCCOCC1=CC=CC=C1 DY20071 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.40 CCC(=O)OC1=CC=CC=C1 DY584283 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.40 CCC(N)CC1=CC=CC=C1 DY538887 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.40 CNC(=O)OC1=CC=CC=C1 DY584385 [2,0,0,0,0,0|2,0,0]=4 45 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 NO13678 [1,1,0,0,0,0|1,0,0]=3 46 B13R1.19 CCOC(=O)CC1=CC=C(Cl)C=C1 NO11364 [1,1,0,0,0,0|1,0,0]=3 47 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 DY531249 [1,1,0,0,0,0|1,0,0]=3 48 B13R1.20 CCOC(=O)CC1=CC(Br)=CC=C1 NO12283 [1,1,0,0,0,0|1,0,0]=3 49 B13R1.20 CCOC(=O)CC1=CC(N)=CC=C1 NO17331 [1,1,0,0,0,0|1,0,0]=3 50 B13R1.20 CCOC(=O)CC1=NC(N)=CC=C1 DY568611 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.44 NCCCC(=O)NC1=CC=NC=C1 DY520431 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 DY528423 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.47 CCOC(=O)C(Br)C1=CC=CC=C1 DY546525 [1,1,0,0,0,0|1,0,0]=3 54 B13R1.47 CCOC(=O)C(N)C1=NC=CC=C1 DY105176 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.47 CCOC(=O)C(N)C1=NC=CC=C1 DY513519 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 DY20544 [1,1,0,0,0,0|1,0,0]=3 57 B13R1.47 CCOC(=O)N(C)C1=CC=CC=C1 DY585126 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.47 CCOC(=O)[C@H](O)C1=CC=CC=C1 DY744409 [1,1,0,0,0,0|1,0,0]=3 59 B13R1.470 CC1=C(NC(=O)CCCl)C=CC=C1 DY612353 [1,1,0,0,0,0|2,0,0]=4 60 B13R1.470 CC1=C(NC(=O)CCN)C=CC=C1 DY609644 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=C1 NO17651 [1,1,0,0,0,0|1,0,0]=3 62 B13R1.513 CC(C)CCOC1=CC=C(N)C=C1 DY501819 [1,1,0,0,0,0|1,0,1]=4 63 B13R1.513 CC(C)CNCC1=CC=C(F)C=C1 DY612422 [1,1,0,0,0,0|1,0,0]=3 64 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 DY622029 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 NO13312 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.718 OCC(O)COCC1=CC=CC=C1 NO20085 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.3523 C[Si](C)(C)CNCC1=CC=CC=C1 NO11721 [1,1,0,0,0,0|1,1,0]=4 68 B13R1.133 CC(Br)C(=O)NC1=CC=C(F)C=C1 DY604090 [0,1,0,0,1,0|2,0,0]=4 69 B13R1.133 CC1=CC=C(NC(=O)N(C)C)C=C1 DY568659 [0,1,0,0,1,0|2,0,0]=4 70 B13R1.148 CC(C)C(=O)CC1=CC(N)=CC=C1 DY528285 [0,1,0,0,1,0|0,0,0]=2 71 B13R1.132 CC(C)NC(=O)C1=CC=C(Br)N=C1 DY714944 [0,1,0,0,1,0|2,0,0]=4 72 B13R1.132 CC(C)NC(=O)C1=CC=C(N)C=C1 DY604557 [0,1,0,0,1,0|1,0,0]=3 73 B13R1.147 CC(C)CC(=O)C1=CC(Cl)=NC=C1 DY655440 [0,1,0,0,1,0|1,0,0]=3 74 B13R1.147 CC(C)NC(=O)C1=NC(Cl)=CC=C1 DY715286 [0,1,0,0,1,0|2,0,0]=4 75 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O DY745651 [0,1,0,0,1,0|1,0,0]=3 76 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 DY796641 [0,1,0,0,1,0|1,0,0]=3 77 B13R1.352 CN(CC(C)(C)N)C1=CC=CC=C1 DY565245 [0,1,0,0,1,0|2,0,0]=4 78 B13R1.352 O=C(CC(F)(F)F)C1=CC=CC=C1 DY433251 [0,1,0,0,1,0|2,0,0]=4 79 B13R1.1116 CC(C)(C)OC(=O)CC1=CC=CN1 DY717891 [0,1,0,0,1,0|2,0,0]=4 80 B15R1.3675 CC(C)C(=O)CC(=O)NC1=CC=CC=C1 DY20988 [0,1,0,0,0,1|1,0,0]=3 81 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 DY627524 [0,1,0,0,0,1|1,0,0]=3 82 B15R1.741 C[C@H](CN)NC(=O)OCC1=CC=CC=C1 DY789603 [0,1,0,0,0,1|1,0,0]=3 83 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=NC=C1 DY664188 [0,1,0,0,0,1|2,0,0]=4 84 B15R1.3678 CC(C)C(N)C(=O)NCC1=NC=CC=C1 DY654852 [0,1,0,0,0,1|1,0,0]=3 85 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 DY20664 [0,1,0,0,0,1|0,0,0]=2 86 B15R1.363 CC1=C(NC(=O)C(N)C(C)C)C=CC=C1 DY746341 [0,2,0,0,0,0|1,0,0]=3 87 B15R1.5802 CC(C)(C)OC(=O)NC1=C(N)C=CC=C1 NO20121 [0,2,0,0,0,0|2,0,0]=4 88 B15R1.8426 C\C(CC(C)C)=N/C1=C(F)C=C(O)C=C1 DY518397 [0,2,0,0,0,0|2,0,0]=4 89 B15R1.3977 CC(C)(C)OC(=O)[C@@H](N)C1=CC=CC=C1 NO13785 [0,2,0,0,0,0|1,0,0]=3 90 B15R1.8303 CC(C)(C)OC(=O)NC1=CC(N)=CC=C1 NO12282 [0,2,0,0,0,0|2,0,0]=4 91 B15R1.982 COC(=O)CC(=O)CC1=CC(C)=CC=C1 DY106048 [0,2,0,0,0,0|1,0,1]=4 92 B13R2.15 N[C@H]1CCC[C@@H]1C2=CC=CC=C2 DY620298 [1,0,0,1,0,0|1,0,1]=4 93 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 NO19133 [1,0,0,1,0,0|2,0,0]=4 94 B13R2.163 O=C1CC2=C(C=CC=C2)CCN1 DY528321 [1,0,0,1,0,0|1,0,0]=3 95 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 NO10012 [1,0,0,1,0,0|1,0,0]=3 96 B13R2.163 O=C1CNCC2=C(C=CC=C2)N1 DY534075 [1,0,0,1,0,0|2,0,0]=4 97 B13R2.444 OC(CC1=CC=CC=C1)C2CC2 DY758617 [1,0,0,1,0,0|0,0,2]=4 98 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 DY20949 [1,0,0,1,0,0|2,0,0]=4 99 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 DY20329 [1,0,0,1,0,0|2,0,0]=4 100 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 DY20328 [1,0,0,1,0,0|2,0,0]=4 101 B13R2.3122 CC1(C)CNCC2=CC=CC=C21 DY571923 [1,0,0,1,0,0|1,0,0]=3 102 B13R2.27 CC1CCN1CC2=CC=CC=C2 DY571305 [0,0,0,1,1,0|2,0,0]=4 103 B13R2.359 CC1(C)C(=O)NC2=NC=CC=C21 DY673416 [0,0,0,1,1,0|2,0,0]=4 104 B13R2.359 CC1=Nc2ccccc2C1(C)C DY445122 [0,0,0,1,1,0|2,0,0]=4 105 B13R2.373 NC1CN(C2=CC=CC=C2)C1=O DY719848 [0,0,0,1,1,0|2,0,0]=4 106 B13R2.435 CC(C)C1=CC2=C(C=CC=C2)O1 DY751093 [0,0,0,1,1,0|0,0,2]=4 107 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 DY538383 [0,0,0,1,0,1|1,0,0]=3 108 B15R2.61354 CC1(C)CC(=O)NC2=C(F)C=CC=C21 DY718611 [0,1,0,1,0,0|1,0,0]=3 109 B15R2.24965 CC(C)N1C(=O)C(=O)C2=CC=CC=C21 DY504105 [0,1,0,1,0,0|1,0,1]=4 110 B15R2.31 C[C@@H]1CN(CC2=CC=CC=C2)CCN1 DY734437 [0,1,0,1,0,0|2,0,0]=4 111 B15R2.1853 CC(C)N1C(C=O)=NC2=C1C=CC=C2 DY549621 [0,1,0,1,0,0|2,0,0]=4 112 B15R2.7252 CC(C)CC1=CC2=CC=C(F)C=C2N1 DY727123 [0,1,0,1,0,0|1,0,1]=4 113 B15R2.13973 CC1(C)CC(=O)NC2=CC=C(Br)C=C21 NO10637 [0,1,0,1,0,0|1,0,0]=3 114 B15R2.13973 CC1(C)OC(=O)NC2=C1C=C(Br)C=C2 NO13943 [0,1,0,1,0,0|2,0,0]=4 115 B15R2.18927 NC1=CC=C(CC(=O)NC2CC2)C=C1 DY604755 [0,1,0,1,0,0|1,0,0]=3 116 B15R2.5142 CC1(CN)CN(CC2=CC=CC=C2)C1 DY585828 [0,1,0,1,0,0|2,0,0]=4 117 B15R2.7491 CC1(C)CC(=O)NC2=CC(F)=CC=C21 DY718719 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.16 CCCC(=O)C1=NC=CN=C1 DY710605 [1,0,0,0,1,0|2,0,0]=4 119 B11R1.16 CCOC(=N)C1=CC=CC=C1 DY744223 [1,0,0,0,1,0|2,0,0]=4 120 B11R1.16 CCOC(=O)C1=CN=CC=C1 NO19194 [1,0,0,0,1,0|2,0,0]=4 121 B11R1.16 CCOC(=O)C1=NC=CC=C1 NO14035 [1,0,0,0,1,0|2,0,0]=4 122 B11R1.16 CNCC(=O)C1=CC=CC=C1 DY794643 [1,0,0,0,1,0|1,0,0]=3 123 B11R1.16 N#CCC(=O)C1=CC=CC=C1 NO10995 [1,0,0,0,1,0|1,0,1]=4 124 B11R1.30 CCCC(=O)CC1=CC=CO1 DY604803 [1,0,0,0,1,0|1,0,0]=3 125 B11R1.91 CC(C)COC1=NC=CC=C1 DY655892 [1,0,0,0,1,0|2,0,0]=4 126 B11R1.91 CC(C)\N=C\C1=CC=CC=C1 DY797541 [1,0,0,0,1,0|1,0,0]=3 127 B11R1.91 CC(O)CCC1=CC=CC=C1 DY746761 [1,0,0,0,1,0|1,0,0]=3 128 B11R1.36 CC(Br)C(=O)C1=CC=NC=C1 DY716660 [0,0,0,0,2,0|2,0,0]=4 129 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 DY662080 [0,0,0,0,2,0|1,0,0]=3 130 B11R1.36 CC(C)C(O)c1ccccc1 DY822221 [0,0,0,0,2,0|0,0,2]=4 131 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 DY567369 [0,0,0,0,2,0|1,0,1]=4 132 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 DY625015 [0,0,0,0,2,0|0,0,2]=4 133 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 DY789267 [0,0,0,0,2,0|1,0,0]=3 134 B11R1.36 O=C(C1=CC=CC=C1)C(F)F DY552861 [0,0,0,0,2,0|2,0,0]=4 135 B13R1.42 CCOC(=O)CCC1=CC=CN=C1 DY661743 [1,0,0,0,0,1|2,0,0]=4 136 B13R1.42 CCOC(=O)COC1=CC=CN=C1 NO19787 [1,0,0,0,0,1|2,0,0]=4 137 B13R1.42 CNCC(=O)NCC1=NC=CC=C1 DY654600 [1,0,0,0,0,1|2,0,0]=4 138 B13R1.42 CNCC(=O)OCc1ccccc1 DY438153 [1,0,0,0,0,1|1,0,0]=3 139 B13R1.42 N#CCC(=O)OCC1=CC=CC=C1 DY584512 [1,0,0,0,0,1|1,0,1]=4 140 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 DY537999 [1,0,0,0,0,1|1,0,0]=3 141 B13R1.42 NCCC(=O)NCC1=NC=CC=C1 DY656860 [1,0,0,0,0,1|2,0,0]=4 142 B13R1.337 CN(C)CCNCC1=CC=CC=C1 DY21090 [1,0,0,0,0,1|1,0,1]=4