0 B13R1.97 COC1=CC(=C(C=C1)O)NC(=O)C S983187 [1,0,0,0,0,0|0,0,0]=1 1 B13R1.97 COC1=CC=C(C(=C1)CN(C)C)O PH019164 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.373 CC(=O)NC1=CC=CC(=C1)CCO PH016322 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.373 CCNC1=CC=CC(=C1)NC(=O)C S908711 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.373 CCOC1=CC=CC(=C1)NC(=O)C S806153 [1,0,0,0,0,0|2,0,0]=3 5 B15R1.901 CC(=O)NC1=CC(=C(C=C1)O)NC(=O)C PH010135 [0,1,0,0,0,0|2,0,0]=3 6 B15R2.964 CC(=O)NC1=CC2=C(C=C1Br)CCC2 PH002958 [0,0,0,1,0,0|2,0,0]=3 7 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O S571989 [2,0,0,0,0,0|0,0,0]=2 8 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)C S344311 [2,0,0,0,0,0|2,0,0]=4 9 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl S390119 [2,0,0,0,0,0|2,0,0]=4 10 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C PH011772 [2,0,0,0,0,0|2,0,0]=4 11 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Br CDS021152 [2,0,0,0,0,0|2,0,0]=4 12 B12R1.127 CC(=O)NC1=CC(=CC=[N+]1[O-])C PH009059 [2,0,0,0,0,0|1,0,1]=4 13 B12R1.127 CC(=O)NC1=CC(=CN=C1O)I ADE000682 [2,0,0,0,0,0|2,0,0]=4 14 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO EME00277 [2,0,0,0,0,0|0,0,0]=2 15 B12R1.438 CC(=O)NC1=CC=CC(=C1)CN CDS010992 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [2,0,0,0,0,0|0,0,0]=2 17 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [2,0,0,0,0,0|0,1,0]=3 20 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [2,0,0,0,0,0|0,0,0]=2 21 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [2,0,0,0,0,0|0,0,0]=2 22 B12R1.438 COC1=CC=CC(=C1)NC(=S)N R617539 [2,0,0,0,0,0|1,1,0]=4 23 B12R1.438 COC1=CC=CC(=C1)NC(=S)N S223026 [2,0,0,0,0,0|1,1,0]=4 24 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [2,0,0,0,0,0|0,1,0]=3 26 B12R1.286 CCCC1=CC=C(C(=C1)C=O)O ASX00135 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.286 CCOC1=CC=C(C(=C1)C=O)O ASX00006 [2,0,0,0,0,0|2,0,0]=4 28 B14R1.676 CC(=O)NC1=C(C=CC(=C1)C(=O)C)C S742503 [1,1,0,0,0,0|1,0,1]=4 29 B14R1.676 CC(=O)NC1=C(C=CC(=C1)C(=O)C)Cl S744697 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.676 CC(=O)NC1=C(C=CC(=C1)C(=O)O)C S454893 [1,1,0,0,0,0|1,0,1]=4 31 B14R1.3723 COC1=CC=C(C(=C1)NC(=O)C)OC R166227 [1,1,0,0,0,0|0,0,0]=2 32 B14R1.439 C=CCC1=C(C=CC(=C1)NC(=O)C)O PH007840 [1,1,0,0,0,0|1,0,1]=4 33 B14R1.439 CCNC1=C(C=CC(=C1)NC(=O)C)C S909009 [1,1,0,0,0,0|2,0,0]=4 34 B14R1.472 C=CCC1=CC=CC(=C1O)NC(=O)C S814555 [1,1,0,0,0,0|1,0,1]=4 35 B14R1.733 CCC(=O)C1=CC=CC(=C1)NC(=O)C S746916 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.733 COC(=O)C1=CC(=CC=C1)NC(=O)N EME00276 [1,1,0,0,0,0|1,0,1]=4 37 B14R1.733 COC(=O)C1=CC=CC(=C1)CC(=O)C PH016726 [1,1,0,0,0,0|1,0,1]=4 38 B14R1.811 CC(=O)NC1=CC=CC(=C1)OC(=O)C PH009816 [1,1,0,0,0,0|2,0,0]=4 39 B14R1.705 CC(=O)OC1=CC=C(C(=C1)C(=O)C)O IDF00012 [0,1,0,0,1,0|2,0,0]=4 40 B14R1.794 C=CCOC1=CC=C(C(=C1)C(=O)C)O S808881 [0,1,0,0,1,0|1,0,1]=4 41 B14R1.794 CCCOC1=CC(=C(C=C1)O)C(=O)O R439150 [0,1,0,0,1,0|2,0,0]=4 42 B14R1.6730 CCCC1=C(C(=C(C=C1)O)C(=O)C)O PH004641 [0,1,0,0,1,0|1,0,0]=3 43 B16R1.966 CCOC(=O)C1=CC(=C(C=C1)O)NC(=O)C S389315 [0,2,0,0,0,0|0,0,1]=3 44 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)O2 IDF00007 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.134 COC1=CC=C2OCC(=O)NC2=C1 JRD0383 [1,0,0,1,0,0|0,0,0]=2 46 B14R2.134 O=C1COC2=CC=C(C=C2N1)CO JRD0945 [1,0,0,1,0,0|0,0,0]=2 47 B14R2.134 O=C1COC2=CN=C(C=C2N1)CO PH018586 [1,0,0,1,0,0|1,0,0]=3 48 B16R2.1205 COC(=O)C1=CC=C2OCC(=O)NC2=C1 JRD0724 [0,1,0,1,0,0|0,0,1]=3 49 B16R2.1205 COC(=O)C1=CC=C2SCC(=O)NC2=C1 JRD0740 [0,1,0,1,0,0|0,1,1]=4 50 B12R1.453 COC1=CC=C(C(=C1)C(=O)N)N BBO000414 [1,0,0,0,1,0|2,0,0]=4 51 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)Cl ANV00090 [1,0,0,0,1,0|2,0,0]=4 52 B12R1.453 CSC1=CC=C(C(=C1)C(=O)O)O S449385 [1,0,0,0,1,0|1,1,0]=4 53 B12R1.279 COCC1=CC=CC(=C1)C(=O)O CDS011694 [1,0,0,0,1,0|1,0,0]=3 54 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [3,0,0,0,0,0|1,0,0]=4 55 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [3,0,0,0,0,0|1,0,0]=4 56 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [3,0,0,0,0,0|1,0,0]=4 57 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [3,0,0,0,0,0|1,0,0]=4 58 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [3,0,0,0,0,0|1,0,0]=4 59 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [3,0,0,0,0,0|1,0,0]=4 60 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [3,0,0,0,0,0|1,0,0]=4 61 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [3,0,0,0,0,0|1,0,0]=4 62 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [3,0,0,0,0,0|1,0,0]=4 63 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [3,0,0,0,0,0|1,0,0]=4 64 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [3,0,0,0,0,0|1,0,0]=4 65 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [3,0,0,0,0,0|1,0,0]=4 66 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [3,0,0,0,0,0|1,0,0]=4 67 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [3,0,0,0,0,0|1,0,0]=4 68 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [3,0,0,0,0,0|0,0,0]=3 69 B11R1.189 CCNC1=CC(=CC=C1)CC PH012321 [3,0,0,0,0,0|0,0,1]=4 70 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [3,0,0,0,0,0|0,1,0]=4 71 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [3,0,0,0,0,0|1,0,0]=4 72 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)Br)C S803685 [2,1,0,0,0,0|1,0,0]=4 73 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)C)I)C L168319 [2,1,0,0,0,0|1,0,0]=4 74 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)C)O S582514 [2,1,0,0,0,0|1,0,0]=4 75 B13R1.876 CC(=O)NC1=CC(=C(C=C1Br)C)C L168262 [2,1,0,0,0,0|1,0,0]=4 76 B13R1.876 CC(=O)NC1=CC(=C(C=C1I)C)C L168475 [2,1,0,0,0,0|1,0,0]=4 77 B13R1.2872 CC1=CC(=C(C=C1)C)NC(=O)CCl S746568 [2,1,0,0,0,0|1,0,0]=4 78 B13R1.2872 CC1=CC(=C(C=C1)Cl)NC(=O)CCl S378003 [2,1,0,0,0,0|1,0,0]=4 79 B13R1.2872 CC1=CC=C(C(=C1)NC(=O)CI)C L172669 [2,1,0,0,0,0|1,0,0]=4 80 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)C)Cl S844055 [2,1,0,0,0,0|1,0,0]=4 81 B13R1.2872 CNC(=O)NC1=C(C=CC(=C1)C)C S636657 [2,1,0,0,0,0|1,0,0]=4 82 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)C)C S636231 [2,1,0,0,0,0|1,0,0]=4 83 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)Br)O R590207 [2,1,0,0,0,0|1,0,0]=4 84 B13R1.2872 O=C(CCl)NC1=C(C=CC(=C1)Cl)O MNO000017 [2,1,0,0,0,0|1,0,0]=4 85 B13R1.3089 COC1=CC=C(C=C1NC(=O)C)C PH002939 [2,1,0,0,0,0|0,0,0]=3 86 B13R1.3089 COC1=CC=C(C=C1NC(=O)C)Cl R591610 [2,1,0,0,0,0|1,0,0]=4 87 B13R1.354 CC1=C(C=C(C=C1)C(C)C)NC=O S721646 [2,1,0,0,0,0|1,0,0]=4 88 B13R1.52 CCC1=C(C=CC(=C1)NC(=O)C)Br S751863 [2,1,0,0,0,0|0,0,0]=3 89 B13R1.52 COC1=C(C=CC(=C1)NC(=O)C)N R871605 [2,1,0,0,0,0|0,0,0]=3 90 B13R1.52 COC1=CC(=CC=C1F)CC(=O)C PH014745 [2,1,0,0,0,0|1,0,0]=4 91 B13R1.81 CCC(=O)NC1=CC(=CC=C1)OC S101311 [2,1,0,0,0,0|0,0,0]=3 92 B13R1.81 CCC1=CC(=CC=C1)OC(=O)NC S763179 [2,1,0,0,0,0|1,0,0]=4 93 B13R1.81 CCC1=CC=CC(=C1)NC(=O)CCl TMT00601 [2,1,0,0,0,0|0,0,0]=3 94 B13R1.81 CNC(=O)NC1=CC=CC(=C1)OC S647217 [2,1,0,0,0,0|0,0,0]=3 95 B13R1.81 CNC(=S)NC1=CC(=CC=C1)OC TMT00075 [2,1,0,0,0,0|0,1,0]=4 96 B13R1.81 COC(=O)NC1=CC(=CC=C1)OC S609366 [2,1,0,0,0,0|0,0,0]=3 97 B13R1.81 COC1=CC=CC(=C1)NC(=O)CCl S520322 [2,1,0,0,0,0|0,0,0]=3 98 B13R1.81 CSC1=CC=CC(=C1)NC(=O)CCl S916722 [2,1,0,0,0,0|0,1,0]=4 99 B13R1.575 CCCCC1=CC(=C(C=C1)O)C=O ASX00136 [2,1,0,0,0,0|1,0,0]=4 100 B13R1.575 CCCOC1=CC(=C(C=C1)O)C=O ASX00137 [2,1,0,0,0,0|1,0,0]=4 101 B13R1.13 CC(=O)C1=CC(=CC=C1O)C(=O)O PH000237 [1,1,0,0,1,0|0,0,1]=4 102 B13R1.651 COC1=C(C=C(C(=C1)C(=O)C)F)Cl PH017273 [1,1,0,0,1,0|1,0,0]=4 103 B13R1.2430 COC1=CC=C(C(=C1)C(=O)Cl)OC PH016681 [1,1,0,0,1,0|1,0,0]=4 104 B15R1.3824 CC1=C(C=C(C=C1)C(C)C)NC(=O)CCl PH007030 [1,2,0,0,0,0|1,0,0]=4 105 B15R1.3824 CCC(=O)NC1=C(C=CC(=C1)C(C)C)C S892866 [1,2,0,0,0,0|1,0,0]=4 106 B15R1.4512 COC1=CC=C(C=C1NC(=O)C)S(=O)O S450391 [1,2,0,0,0,0|1,0,0]=4 107 B15R1.1910 CCC(=O)NC1=C(C=CC(=C1)OC)OC S780456 [1,2,0,0,0,0|0,0,0]=3 108 B15R1.1910 CNC(=O)NC1=CC(=CC=C1OC)OC S667536 [1,2,0,0,0,0|0,0,0]=3 109 B15R1.1910 CNC(=S)NC1=CC(=CC=C1OC)OC S917079 [1,2,0,0,0,0|0,1,0]=4 110 B15R1.1910 COC(=O)NC1=C(C=CC(=C1)OC)OC S634751 [1,2,0,0,0,0|0,0,0]=3 111 B15R1.1910 COC1=CC(=C(C=C1)OC)NC(=O)CCl S854824 [1,2,0,0,0,0|0,0,0]=3 112 B15R1.1910 COC1=CC=C(C(=C1)NC(=O)CI)OC L172685 [1,2,0,0,0,0|0,0,0]=3 113 B15R1.926 COC(=O)C1=C(C=CC(=C1)NC(=O)C)C S307165 [1,2,0,0,0,0|0,0,1]=4 114 B15R1.1196 CCNCCC1=CC=C(C(=C1)C(=O)C)O PH013791 [0,2,0,0,1,0|1,0,0]=4 115 B17R1.4666 COC1=CC=C(C=C1OC(=O)C)COC(=O)C S332372 [0,3,0,0,0,0|1,0,0]=4 116 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)O S671819 [1,0,1,1,0,0|0,0,1]=4 117 B13R2.155 CC1=CN=C2OCC(=O)NC2=C1 ADE001276 [2,0,0,1,0,0|1,0,0]=4 118 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [2,0,0,1,0,0|0,0,0]=3 119 B13R2.2121 COC1=CC2=C(C=C1)OC(=N2)C S986259 [2,0,0,1,0,0|0,0,1]=4 120 B15R2.4834 COC1=CC=C2OC(=CC2=C1)C(=O)C PH011148 [1,0,0,1,0,1|1,0,0]=4 121 B15R2.7174 O=C1COC2=CC=C(C=C2N1)C(=O)O CDS014371 [1,1,0,1,0,0|0,0,1]=4 122 B15R2.1824 N1C(=O)CCC2=C1C=C(C(=C2)O)OC S116890 [1,1,0,1,0,0|1,0,0]=4 123 B15R2.4807 COC1=CC=C2OCC(=O)N(C2=C1)O T320757 [1,1,0,1,0,0|0,0,0]=3 124 B15R2.89396 COC1=CC=C2C(=CC(=O)NC2=C1)O CVT00065 [1,1,0,1,0,0|0,0,1]=4 125 B15R2.4343 COC(=O)NC1=CC=C2CCCC2=C1 T167681 [1,1,0,1,0,0|1,0,0]=4 126 B15R2.19139 COC(=O)NC1=C2CCCC2=CC=C1 T167614 [1,1,0,1,0,0|1,0,0]=4 127 B15R3.14759 O=C1NC2=C3C1CCCC3=CC=C2 R425850 [1,0,0,2,0,0|1,0,0]=4 128 B15R3.10059 O=C1COC2=CC3=C(C=C12)CCC3 R261521 [0,0,0,2,1,0|1,0,0]=4 129 B17R2.6194 CCOC(=O)C1=CC=C2OCC(=O)NC2=C1 T315389 [0,2,0,1,0,0|0,0,1]=4 130 B17R2.357666 COC(=O)C1=CC=C2OC(C(=O)NC2=C1)C JRD0892 [0,2,0,1,0,0|0,0,1]=4 131 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [2,0,0,0,1,0|1,0,0]=4 132 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [2,0,0,0,1,0|1,0,0]=4