0 B11R1.182 CCOc1cc(ccc1N)F AB20299 [1,0,0,0,0,0|2,0,0]=3 1 B11R1.189 C#CCc1cccc(c1)C=O AB61402 [1,0,0,0,0,0|1,0,2]=4 2 B11R1.189 CCCc1cccc(c1)NN AB07394 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.189 c1cc(cc(c1)N=C=O)C=O AB74255 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.280 CCc1cc(ccc1O)C#N MB23616 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.280 CCc1cc(ccc1O)C=O MB23625 [1,0,0,0,0,0|0,0,0]=1 6 B11R1.280 CCc1cc(ccc1O)CN MB23654 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.280 CCc1cc(ccc1O)NC MB23664 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.280 CCc1cc(ccc1O)OC MB23776 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.280 CCc1cc(ccc1O)SC MB23777 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.280 CCc1ccc(c(c1)CC)O MB23888 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.280 CCc1ccc(c(c1)CN)O MB23892 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.280 CCc1ccc(c(c1)NC)O MB23902 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.280 CCc1ccc(c(c1)SC)O MB23909 [1,0,0,0,0,0|1,1,1]=4 14 B11R1.280 CNc1cc(ccc1O)C#N MB26626 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.280 CNc1cc(ccc1O)C=O MB32371 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.280 CNc1cc(ccc1O)CN MB28730 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.280 CNc1cc(ccc1O)OC MB34517 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.280 CNc1cc(ccc1O)SC MB35888 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.280 CNc1ccc(c(c1)CN)O MB25856 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.280 CNc1ccc(c(c1)NC)O MB31107 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.280 CNc1ccc(c(c1)SC)O MB32002 [1,0,0,0,0,0|2,1,0]=4 23 B11R1.280 COc1c(ccc(n1)C=O)F AB70966 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.280 COc1cc(ccc1Cl)C=O AB42981 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.280 COc1cc(ccc1N)C=O AB54813 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.280 COc1cc(ccc1N)CO AB44207 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.280 COc1cc(ccc1O)SC MB01847 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.280 COc1cc(cnc1Cl)C=O AB67544 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.280 COc1cc(cnc1F)C=O AB73653 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.280 COc1ccc(c(c1)CN)O MB01567 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.280 COc1ccc(c(c1)SC)O MB25475 [1,0,0,0,0,0|2,1,0]=4 33 B11R1.280 CSc1cc(ccc1O)C#N MB25650 [1,0,0,0,0,0|1,1,1]=4 34 B11R1.280 CSc1cc(ccc1O)C=O MB25805 [1,0,0,0,0,0|0,1,0]=2 35 B11R1.280 CSc1ccc(c(c1)CN)O MB28138 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.280 CSc1ccc(c(c1)SC)O MB30090 [1,0,0,0,0,0|2,1,0]=4 37 B11R1.280 c1c(c(cnc1C=O)O)C=O AB84406 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.280 c1c(cnc(c1C=O)O)C=O AB84515 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.280 c1cc(c(cc1C#N)CN)O MB30149 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.280 c1cc(c(cc1C=O)C#N)F CB10572 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.280 c1cc(c(cc1C=O)C#N)O MB25655 [1,0,0,0,0,0|1,0,1]=3 42 B11R1.280 c1cc(c(cc1C=O)CN)O MB27171 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.280 c1cc(c(cc1CN)CN)O MB31492 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.280 c1cc(c(nc1C=O)C=O)O AB76119 [1,0,0,0,0,0|2,0,1]=4 45 B13R1.97 CC(C)Oc1cc(ccc1O)C#N MB22824 [0,1,0,0,0,0|1,0,1]=3 46 B13R1.97 CC(C)Oc1cc(ccc1O)C=O MB22831 [0,1,0,0,0,0|0,0,0]=1 47 B13R1.97 CC(C)Oc1cc(ccc1O)CN MB31710 [0,1,0,0,0,0|1,0,1]=3 48 B13R1.97 CC(C)Oc1cc(ccc1O)NC MB34529 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.97 CC(C)Oc1cc(ccc1O)SC MB32564 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.97 CCc1ccc(c(c1)OC(C)C)O MB23907 [0,1,0,0,0,0|1,0,1]=3 51 B13R1.97 Cc1ccc(cc1NC(=O)C)C=O AB63910 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.354 B(c1ccc(c(c1)OCC)Cl)(O)O AB48431 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.355 CCOc1cc(ccc1OC)CO CB10086 [0,1,0,0,0,0|0,0,2]=3 54 B13R1.2431 CNC(=O)c1cc(ccc1O)C=O MB25127 [0,1,0,0,0,0|2,0,0]=3 55 B13R2.57 COc1ccc2c(c1)NCCO2 AB43971 [0,0,0,1,0,0|3,0,0]=4 56 B13R2.57 COc1ccc2c(c1)OCCN2 MB09263 [0,0,0,1,0,0|3,0,0]=4 57 B13R2.57 COc1ccc2c(c1)OCCN2 MB11317 [0,0,0,1,0,0|3,0,0]=4 58 B13R2.57 c1c(cnc2c1CCCO2)C=O AB71418 [0,0,0,1,0,0|2,0,0]=3 59 B13R2.57 c1c(cnc2c1OCCO2)C=O AB65653 [0,0,0,1,0,0|1,0,0]=2 60 B13R2.57 c1c(ncc2c1OCCO2)C=O MB08156 [0,0,0,1,0,0|1,0,0]=2 61 B13R2.57 c1c2c(nc(n1)C=O)OCCC2 AB74051 [0,0,0,1,0,0|3,0,0]=4 62 B13R2.57 c1cc(nc2c1CCCN2)C=O AB66650 [0,0,0,1,0,0|3,0,0]=4 63 B13R2.57 c1cc2c(cc1C#N)NCCO2 AB45779 [0,0,0,1,0,0|2,0,1]=4 64 B13R2.57 c1cc2c(cc1C#N)OCCN2 AB64783 [0,0,0,1,0,0|2,0,1]=4 65 B13R2.57 c1cc2c(cc1NN)OCCO2 AB12012 [0,0,0,1,0,0|2,0,0]=3 66 B13R2.2121 Cn1cc2cc(ccc2n1)C=O PB25792 [0,0,0,1,0,0|3,0,0]=4 67 B13R2.2121 Cn1cc2ccc(cc2n1)C=O PB11539 [0,0,0,1,0,0|3,0,0]=4 68 B10R1.4 CCOc1c(cccn1)Br AB05207 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.4 CCOc1c(cccn1)I AB05213 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.4 CCOc1ccncc1Br MB01009 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.10 CCOc1cc(ccn1)Br AB05209 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.10 CCOc1cc(ccn1)N AB05301 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.10 CCOc1cc(cnc1)Br AB05134 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.10 CCOc1cccc(n1)Br AB05279 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.10 CCOc1cccc(n1)N AB05302 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.10 CCOc1ccnc(c1)N AB09620 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.30 CCc1cc(ccc1Br)O MB23770 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.30 CCc1cc(ccc1C)O MB23722 [2,0,0,0,0,0|1,0,1]=4 80 B10R1.30 CCc1cc(ccc1F)O MB23754 [2,0,0,0,0,0|1,0,1]=4 81 B10R1.30 CCc1cc(ccc1I)O MB09270 [2,0,0,0,0,0|1,0,1]=4 82 B10R1.30 CCc1cc(ccc1N)O MB23757 [2,0,0,0,0,0|1,0,1]=4 83 B10R1.30 CCc1cc(ccc1O)Br MB00480 [2,0,0,0,0,0|1,0,0]=3 84 B10R1.30 CCc1cc(ccc1O)C MB23622 [2,0,0,0,0,0|0,0,1]=3 85 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [2,0,0,0,0,0|1,0,0]=3 86 B10R1.30 CCc1cc(ccc1O)I MB23657 [2,0,0,0,0,0|1,0,0]=3 87 B10R1.30 CCc1cc(ccc1O)N MB23663 [2,0,0,0,0,0|1,0,0]=3 88 B10R1.30 CNc1cc(ccc1O)Br MB32072 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.30 CNc1cc(ccc1O)F MB26737 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.30 CNc1cc(ccc1O)I MB35760 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.30 CNc1cc(ccc1O)N MB28647 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.30 COc1cc(ccc1Br)O MB00359 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.30 COc1cc(ccc1Cl)O MB25434 [2,0,0,0,0,0|1,0,1]=4 95 B10R1.30 COc1cc(ccc1F)O MB08744 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.30 COc1cc(ccc1I)Br CB11560 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.30 COc1cc(ccc1I)O MB29625 [2,0,0,0,0,0|1,0,1]=4 98 B10R1.30 COc1cc(ccc1N)F MB00562 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.30 COc1cc(ccc1N)O MB01122 [2,0,0,0,0,0|1,0,1]=4 100 B10R1.30 COc1cc(ccc1O)Br PB30583 [2,0,0,0,0,0|1,0,0]=3 101 B10R1.30 COc1cc(ccc1O)I MB05217 [2,0,0,0,0,0|1,0,0]=3 102 B10R1.30 CSc1cc(ccc1O)Br MB28713 [2,0,0,0,0,0|1,1,0]=4 103 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [2,0,0,0,0,0|1,1,0]=4 104 B10R1.30 CSc1cc(ccc1O)F MB35476 [2,0,0,0,0,0|1,1,0]=4 105 B10R1.30 CSc1cc(ccc1O)N MB29519 [2,0,0,0,0,0|1,1,0]=4 106 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [2,0,0,0,0,0|0,1,1]=4 107 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.30 Cc1ccc(cc1OC)O MB25418 [2,0,0,0,0,0|1,0,1]=4 109 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.172 C#Cc1cccc(c1)C=O AB23573 [2,0,0,0,0,0|0,0,2]=4 115 B10R1.172 CCc1cccc(c1)NN AB27881 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.172 COc1cc(ccn1)C=O PB32415 [2,0,0,0,0,0|1,0,0]=3 117 B10R1.172 COc1cc(cnc1)C=O PB23495 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.172 COc1cccc(c1)C#C AB04227 [2,0,0,0,0,0|1,0,1]=4 119 B10R1.172 COc1cccc(c1)C#N AB00159 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.172 COc1cccc(c1)C=O AB00318 [2,0,0,0,0,0|0,0,0]=2 121 B10R1.172 COc1cccc(n1)C=O AB22243 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.172 COc1ccnc(c1)C=O AB43663 [2,0,0,0,0,0|1,0,0]=3 123 B10R1.172 COc1cncc(n1)C=O AB73162 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.172 COc1nccc(n1)C=O AB44816 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.172 c1c(cncc1C=O)CCl AB69676 [2,0,0,0,0,0|2,0,0]=4 126 B10R1.172 c1c(cncc1C=O)CN AB31382 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.172 c1cc(nc(c1)C=O)CCl AB54693 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.172 c1cnc(cc1C=O)CN AB31349 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.176 Cc1c(ccc(n1)C=O)Br MB09863 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.176 Cc1c(ccc(n1)C=O)Cl AB70731 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.176 Cc1c(ccc(n1)C=O)F AB44884 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.176 Cc1cc(ccc1Br)C=O AB42951 [2,0,0,0,0,0|1,0,0]=3 134 B10R1.176 Cc1cc(ccc1Cl)C=O AB11800 [2,0,0,0,0,0|1,0,0]=3 135 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [2,0,0,0,0,0|1,0,1]=4 136 B10R1.176 Cc1cc(ccc1O)CN MB05062 [2,0,0,0,0,0|1,0,1]=4 137 B10R1.176 Cc1cc(ccc1O)NC MB07546 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.176 Cc1cc(cnc1Br)C=O AB44906 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.176 Cc1cc(cnc1C)C=O AB75407 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.176 Cc1cc(cnc1Cl)C=O AB64236 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.176 Cc1cc(cnc1F)C=O AB25943 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.176 Cc1cc(ncc1Br)C=O AB41159 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.176 Cc1cc(ncc1C)C=O AB74125 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.176 Cc1cc(ncc1Cl)C=O AB41161 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.176 Cc1cc(ncc1F)C=O AB75169 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [2,0,0,0,0,0|1,0,0]=3 147 B10R1.176 Cc1ccc(nc1C)C=O AB74104 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.176 c1c(cnc(c1Cl)O)C=O AB20957 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.176 c1c(cnc(c1O)Cl)C=O AB62785 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.176 c1c(ncc(c1Cl)O)C=O AB67780 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.176 c1c(ncc(c1O)Cl)C=O AB75002 [2,0,0,0,0,0|2,0,0]=4 152 B10R1.176 c1cc(c(cc1C=O)Cl)Br AB43050 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.176 c1cc(c(cc1C=O)I)F AB44172 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [2,0,0,0,0,0|1,0,0]=3 155 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [2,0,0,0,0,0|1,0,0]=3 156 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [2,0,0,0,0,0|1,0,0]=3 157 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [2,0,0,0,0,0|1,0,0]=3 158 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [2,0,0,0,0,0|1,0,0]=3 159 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.176 c1cc(c(nc1C=O)Cl)O AB74848 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.176 c1cc(c(nc1C=O)O)Cl AB70962 [2,0,0,0,0,0|2,0,0]=4 162 B12R1.127 CC(C)Oc1cc(ccc1Br)O MB22969 [1,1,0,0,0,0|1,0,1]=4 163 B12R1.127 CC(C)Oc1cc(ccc1Cl)O MB22972 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.127 CC(C)Oc1cc(ccc1F)O MB22948 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.127 CC(C)Oc1cc(ccc1I)O MB22951 [1,1,0,0,0,0|1,0,1]=4 166 B12R1.127 CC(C)Oc1cc(ccc1N)F AB09449 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.127 CC(C)Oc1cc(ccc1N)O MB22955 [1,1,0,0,0,0|1,0,1]=4 168 B12R1.127 CC(C)Oc1cc(ccc1O)Br MB22976 [1,1,0,0,0,0|1,0,0]=3 169 B12R1.127 CC(C)Oc1cc(ccc1O)Cl MB22977 [1,1,0,0,0,0|1,0,0]=3 170 B12R1.127 CC(C)Oc1cc(ccc1O)F MB22871 [1,1,0,0,0,0|1,0,0]=3 171 B12R1.127 CC(C)Oc1cc(ccc1O)I MB22873 [1,1,0,0,0,0|1,0,0]=3 172 B12R1.127 CC(C)Oc1cc(ccc1O)N MB22877 [1,1,0,0,0,0|1,0,0]=3 173 B12R1.127 Cc1ccc(c(c1)OC(C)C)O MB22829 [1,1,0,0,0,0|0,0,1]=3 174 B12R1.127 Cc1ccc(cc1OC(C)C)O MB22921 [1,1,0,0,0,0|1,0,1]=4 175 B12R1.268 CCOc1cc(ccc1OC)Br CB11416 [1,1,0,0,0,0|1,0,0]=3 176 B12R1.278 CCOc1cc(ccn1)N=C=O AB74197 [1,1,0,0,0,0|1,0,1]=4 177 B12R1.279 B(c1cccc(c1)OCC)(O)O AB05868 [1,1,0,0,0,0|1,0,1]=4 178 B12R1.279 CCOc1cc(ccn1)C(=O)O AB20466 [1,1,0,0,0,0|1,0,0]=3 179 B12R1.279 CCOc1cc(cnc1)C(=O)C AB41131 [1,1,0,0,0,0|1,0,0]=3 180 B12R1.279 CCOc1ccnc(c1)C(=O)O AB20462 [1,1,0,0,0,0|1,0,0]=3 181 B12R1.279 c1cc(cc(c1)C(=O)O)CCN MB05049 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.280 CCOc1ccnc(c1C)C=O AB40748 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.435 COC(=N)c1cccc(c1)C=O AB61000 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.56 CC(C)c1ccc(c(c1)OC)O MB01575 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.56 CCc1cc(ccc1O)C(=O)N MB23638 [1,1,0,0,0,0|0,0,0]=2 186 B12R1.56 CCc1cc(ccc1O)C(=O)O MB09659 [1,1,0,0,0,0|0,0,0]=2 187 B12R1.56 CCc1cc(ccc1O)C(C)C MB23619 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.56 CCc1cc(ccc1O)N(C)C MB23642 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.56 CN(C)c1ccc(c(c1)OC)O MB38324 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.56 CNc1cc(ccc1O)C(=O)N MB36307 [1,1,0,0,0,0|1,0,0]=3 191 B12R1.56 CNc1cc(ccc1O)C(=O)O MB14732 [1,1,0,0,0,0|1,0,0]=3 192 B12R1.56 COc1c(ccc(n1)C(=O)O)F AB66806 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.56 COc1cc(ccc1Br)C(=O)O AB44930 [1,1,0,0,0,0|1,0,0]=3 194 B12R1.56 COc1cc(ccc1O)C(=O)N MB25472 [1,1,0,0,0,0|0,0,0]=2 195 B12R1.56 COc1cc(cnc1Cl)C(=O)O AB66372 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.56 CSc1cc(ccc1O)C(=O)N MB36366 [1,1,0,0,0,0|0,1,0]=3 197 B12R1.56 c1cc(c(cc1C(=O)N)C#N)O MB26383 [1,1,0,0,0,0|1,0,1]=4 198 B12R1.56 c1cc(c(cc1C(=O)N)CN)O MB32597 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O MB08388 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.56 c1cc(c(cc1C(=O)O)CN)O MB02933 [1,1,0,0,0,0|1,0,0]=3 201 B12R1.78 COc1cc(ccc1SC)C=O AB21299 [1,1,0,0,0,0|0,1,0]=3 202 B12R1.300 COc1cc(cc(c1F)F)C=O AB21036 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.300 Cc1cc(cc(c1O)OC)C#N PB11362 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.453 CC(=O)c1c(ccc(n1)C=O)O AB84301 [1,1,0,0,0,0|1,0,1]=4 205 B12R1.453 CC(=O)c1cc(cnc1O)C=O AB84265 [1,1,0,0,0,0|1,0,1]=4 206 B12R1.453 CC(=O)c1cc(ncc1O)C=O AB84161 [1,1,0,0,0,0|1,0,1]=4 207 B12R1.453 CC(C)c1cc(ccc1O)C#N MB22341 [1,1,0,0,0,0|1,0,1]=4 208 B12R1.453 CC(C)c1cc(ccc1O)C=O MB22345 [1,1,0,0,0,0|0,0,0]=2 209 B12R1.453 CC(C)c1cc(ccc1O)CN MB37830 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.453 CC(C)c1cc(ccc1O)OC MB05105 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.453 CCc1ccc(c(c1)C(C)C)O MB01995 [1,1,0,0,0,0|1,0,1]=4 212 B12R1.453 CN(C)c1cc(ccc1O)C=O MB33544 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.453 c1cc(c(cc1C=O)C(=O)N)O MB13460 [1,1,0,0,0,0|1,0,1]=4 214 B12R1.654 CCc1ccc(c(c1O)CC)O AB24908 [1,1,0,0,0,0|1,0,1]=4 215 B12R1.654 Cc1cnc(c(c1OC)C)C=O CB11625 [1,1,0,0,0,0|2,0,0]=4 216 B14R1.676 CC(C)Nc1cc(ccc1N)C(=O)O AB48240 [0,2,0,0,0,0|2,0,0]=4 217 B14R1.676 CC(C)Oc1cc(ccc1O)C(=O)N MB22842 [0,2,0,0,0,0|0,0,0]=2 218 B14R1.676 CC(C)Oc1cc(ccc1O)C(=O)O MB22846 [0,2,0,0,0,0|0,0,0]=2 219 B14R1.676 CC(C)Oc1cc(ccc1O)N(C)C MB22856 [0,2,0,0,0,0|2,0,0]=4 220 B14R1.676 CC(C)c1ccc(c(c1)OC(C)C)O MB22837 [0,2,0,0,0,0|1,0,1]=4 221 B14R1.2336 CC(C)(C)Oc1cc(ccc1O)CN MB28960 [0,2,0,0,0,0|1,0,1]=4 222 B14R1.2336 CC(C)(C)Oc1cc(ccc1O)NC MB36474 [0,2,0,0,0,0|2,0,0]=4 223 B14R1.2336 CC(C)(C)Oc1cc(ccc1O)SC MB38124 [0,2,0,0,0,0|2,0,0]=4 224 B14R1.2336 CCc1ccc(c(c1)OC(C)(C)C)O MB23904 [0,2,0,0,0,0|1,0,1]=4 225 B14R1.2336 CS(=O)(=O)Nc1cc(ccc1O)C=O MB30061 [0,2,0,0,0,0|2,0,0]=4 226 B14R1.2340 CN(C)C(=O)c1cc(ccc1O)C=O MB24210 [0,2,0,0,0,0|2,0,0]=4 227 B14R1.706 CNC(=O)c1cc(ccc1O)C(=O)N MB25137 [0,2,0,0,0,0|2,0,0]=4 228 B14R1.706 CNC(=O)c1cc(ccc1O)C(=O)O MB25141 [0,2,0,0,0,0|2,0,0]=4 229 B12R2.24 Cc1ccc2c(c1)NCCO2 AB10553 [1,0,0,1,0,0|1,0,1]=4 230 B12R2.24 c1c(cnc2c1OCCO2)Br AB70711 [1,0,0,1,0,0|2,0,0]=4 231 B12R2.24 c1cc2c(cc1Br)CCCO2 MB08745 [1,0,0,1,0,0|2,0,0]=4 232 B12R2.24 c1cc2c(cc1Br)NCCO2 AB45777 [1,0,0,1,0,0|2,0,0]=4 233 B12R2.24 c1cc2c(cc1Br)OCCN2 AB49667 [1,0,0,1,0,0|2,0,0]=4 234 B12R2.24 c1cc2c(cc1Br)OCCO2 AB01820 [1,0,0,1,0,0|1,0,0]=3 235 B12R2.24 c1cc2c(cc1Cl)NCCO2 AB45772 [1,0,0,1,0,0|2,0,0]=4 236 B12R2.24 c1cc2c(cc1Cl)OCCN2 AB30914 [1,0,0,1,0,0|2,0,0]=4 237 B12R2.24 c1cc2c(cc1F)CCCO2 AB43944 [1,0,0,1,0,0|2,0,0]=4 238 B12R2.24 c1cc2c(cc1F)NCCO2 AB45774 [1,0,0,1,0,0|2,0,0]=4 239 B12R2.24 c1cc2c(cc1F)OCCN2 AB64780 [1,0,0,1,0,0|2,0,0]=4 240 B12R2.24 c1cc2c(cc1I)NCCO2 MB06366 [1,0,0,1,0,0|2,0,0]=4 241 B12R2.24 c1cc2c(cc1N)NCCO2 AB44324 [1,0,0,1,0,0|2,0,0]=4 242 B12R2.24 c1cc2c(cc1N)OCCN2 AB49277 [1,0,0,1,0,0|2,0,0]=4 243 B12R2.24 c1cc2c(cc1O)NCCO2 AB06521 [1,0,0,1,0,0|1,0,1]=4 244 B12R2.24 c1cc2c(cc1O)NCCO2 MB00965 [1,0,0,1,0,0|1,0,1]=4 245 B12R2.24 c1cc2c(cc1O)OCCN2 MB09266 [1,0,0,1,0,0|1,0,1]=4 246 B12R2.44 c1c(cnc2c1OCO2)C=O AB66663 [1,0,0,1,0,0|2,0,0]=4 247 B12R2.44 c1cc(cc2c1cco2)C=O MB06876 [1,0,0,1,0,0|0,0,2]=4 248 B12R2.44 c1cc2c(cc1C=O)CCO2 AB02770 [1,0,0,1,0,0|2,0,0]=4 249 B12R2.315 c1cc(c2c(c1)N=CC2)C=O AB09519 [1,0,0,1,0,0|1,0,1]=4 250 B12R2.315 c1cc(c2c(c1)N=NC2)C=O PB12386 [1,0,0,1,0,0|2,0,0]=4 251 B12R2.315 c1cc(c2ccoc2c1)C=O MB08826 [1,0,0,1,0,0|0,0,2]=4 252 B12R2.315 c1cnc2c(c1C=O)OCO2 AB73691 [1,0,0,1,0,0|2,0,0]=4 253 B14R2.134 c1cc2c(cc1C=O)NC(=O)CO2 MB04525 [0,1,0,1,0,0|1,0,1]=4 254 B14R2.161 Cc1c(cc(cn1)C=O)OC2CC2 MB68026 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.161 Cc1ccc(cc1OC2CC2)C=O MB67733 [0,1,0,1,0,0|1,0,0]=3 256 B14R2.161 Cc1cnc(cc1OC2CC2)C=O MB68205 [0,1,0,1,0,0|2,0,0]=4 257 B14R2.161 c1c(cnc(c1OC2CC2)Br)C=O MB68059 [0,1,0,1,0,0|2,0,0]=4 258 B14R2.161 c1c(cnc(c1OC2CC2)Cl)C=O MB68063 [0,1,0,1,0,0|2,0,0]=4 259 B14R2.161 c1c(cnc(c1OC2CC2)F)C=O MB68035 [0,1,0,1,0,0|2,0,0]=4 260 B14R2.161 c1c(cnc(c1OC2CC2)I)C=O MB68037 [0,1,0,1,0,0|2,0,0]=4 261 B14R2.161 c1c(cnc(c1OC2CC2)N)C=O MB68045 [0,1,0,1,0,0|2,0,0]=4 262 B14R2.161 c1c(ncc(c1OC2CC2)Br)C=O MB68319 [0,1,0,1,0,0|2,0,0]=4 263 B14R2.161 c1c(ncc(c1OC2CC2)Cl)C=O MB68323 [0,1,0,1,0,0|2,0,0]=4 264 B14R2.161 c1c(ncc(c1OC2CC2)F)C=O MB68213 [0,1,0,1,0,0|2,0,0]=4 265 B14R2.161 c1c(ncc(c1OC2CC2)I)C=O MB68217 [0,1,0,1,0,0|2,0,0]=4 266 B14R2.161 c1c(ncc(c1OC2CC2)N)C=O MB68227 [0,1,0,1,0,0|2,0,0]=4 267 B14R2.161 c1cc(c(cc1C#N)OC2CC2)O MB20177 [0,1,0,1,0,0|1,0,1]=4 268 B14R2.161 c1cc(c(cc1C=O)CC2CC2)O MB25956 [0,1,0,1,0,0|1,0,0]=3 269 B14R2.161 c1cc(c(cc1C=O)OC2CC2)Br MB67890 [0,1,0,1,0,0|1,0,0]=3 270 B14R2.161 c1cc(c(cc1C=O)OC2CC2)Cl MB67896 [0,1,0,1,0,0|1,0,0]=3 271 B14R2.161 c1cc(c(cc1C=O)OC2CC2)F MB67744 [0,1,0,1,0,0|1,0,0]=3 272 B14R2.161 c1cc(c(cc1C=O)OC2CC2)I MB67749 [0,1,0,1,0,0|1,0,0]=3 273 B14R2.161 c1cc(c(cc1C=O)OC2CC2)N MB67755 [0,1,0,1,0,0|1,0,0]=3 274 B14R2.161 c1cc(c(cc1C=O)OC2CC2)O MB06823 [0,1,0,1,0,0|0,0,0]=2 275 B14R2.3303 c1cc2c(cc1C=O)OC(O2)(F)F PB17187 [0,1,0,1,0,0|1,0,0]=3 276 B14R2.601 Cc1nc2ccc(cc2o1)C(=O)O AB42954 [0,1,0,1,0,0|1,0,1]=4 277 B14R2.781 B(c1ccc2c(c1)OCCO2)(O)O AB07964 [0,1,0,1,0,0|1,0,1]=4 278 B14R2.781 c1c(cnc2c1CCCO2)C(=O)O AB73657 [0,1,0,1,0,0|2,0,0]=4 279 B14R2.781 c1c(cnc2c1OCCO2)C(=O)O AB73659 [0,1,0,1,0,0|1,0,0]=3 280 B14R2.781 c1cc2c(cc1C(=O)O)C=CCO2 AB72151 [0,1,0,1,0,0|1,0,1]=4 281 B14R2.781 c1cc2c(cc1C(=O)O)OCCN2 PB22561 [0,1,0,1,0,0|1,0,0]=3 282 B14R2.781 c1cc2c(cc1C(=O)O)OCCO2 AB06147 [0,1,0,1,0,0|0,0,0]=2 283 B14R2.781 c1cc2c(cc1[N+](=O)[O-])NCCO2 AB42101 [0,1,0,1,0,0|2,0,0]=4 284 B14R2.781 c1cc2c(cc1[N+](=O)[O-])OCCN2 AB64327 [0,1,0,1,0,0|2,0,0]=4 285 B14R2.1801 CN1CCCc2c1ccc(c2)C=O AB13794 [0,1,0,1,0,0|2,0,0]=4 286 B14R2.2332 c1cc2c(cc1C=O)OCC(=O)N2 MB11331 [0,1,0,1,0,0|1,0,1]=4 287 B14R2.1019 c1c(cc(c2c1OCCO2)Br)C=O MB04321 [0,1,0,1,0,0|0,0,0]=2 288 B14R2.3302 Cc1c(ccc2c1OC(C2)C)C=O AB16683 [0,1,0,1,0,0|1,0,0]=3 289 B12R1.114 CCOc1c(cc(cn1)C=O)F AB40831 [0,0,0,0,1,1|1,0,0]=3