0 B11R1.280 CCc1cc(ccc1O)C#N MB23616 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.280 CCc1cc(ccc1O)C=O MB23625 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.280 CCc1cc(ccc1O)CN MB23654 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.280 CCc1cc(ccc1O)NC MB23664 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.280 CCc1cc(ccc1O)OC MB23776 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.280 CCc1cc(ccc1O)SC MB23777 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.280 CCc1ccc(c(c1)C#N)O MB23858 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.280 CCc1ccc(c(c1)CC)O MB23888 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.280 CCc1ccc(c(c1)CN)O MB23892 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.280 CCc1ccc(c(c1)NC)O MB23902 [0,0,0,0,0,0|1,0,2]=3 10 B11R1.280 CCc1ccc(c(c1)SC)O MB23909 [0,0,0,0,0,0|0,1,2]=3 11 B11R1.280 CNc1cc(ccc1F)CBr AB66016 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.280 CNc1cc(ccc1O)C#N MB26626 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.280 CNc1cc(ccc1O)C=O MB32371 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.280 CNc1cc(ccc1O)CN MB28730 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.280 CNc1cc(ccc1O)OC MB34517 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.280 CNc1cc(ccc1O)SC MB35888 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.280 CNc1ccc(c(c1)C#N)O MB38357 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.280 CNc1ccc(c(c1)C=O)O MB33629 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.280 CNc1ccc(c(c1)CN)O MB25856 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.280 CNc1ccc(c(c1)NC)O MB31107 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [0,0,0,0,0,0|1,0,1]=2 22 B11R1.280 CNc1ccc(c(c1)SC)O MB32002 [0,0,0,0,0,0|1,1,1]=3 23 B11R1.280 COc1c(ccc(n1)C#C)F AB76725 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.280 COc1c(ccc(n1)C=O)F AB70966 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.280 COc1c(ccc(n1)CCl)F AB71011 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.280 COc1c(ccc(n1)CN)F AB75154 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.280 COc1cc(c(nc1)Br)OC AB74694 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.280 COc1cc(c(nc1)N)OC AB49203 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.280 COc1cc(ccc1Cl)C=O AB42981 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.280 COc1cc(ccc1N)C=O AB54813 [0,0,0,0,0,0|2,0,0]=2 31 B11R1.280 COc1cc(ccc1N)CO AB44207 [0,0,0,0,0,0|2,0,1]=3 32 B11R1.280 COc1cc(ccc1O)SC MB01847 [0,0,0,0,0,0|1,0,1]=2 33 B11R1.280 COc1cc(cnc1Cl)C=O AB67544 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.280 COc1cc(cnc1Cl)CN AB73142 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.280 COc1cc(cnc1F)C=O AB73653 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.280 COc1cc(ncc1Br)OC AB70587 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.280 COc1cc(ncc1N)OC AB49206 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.280 COc1ccc(c(c1)C#N)O MB02405 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.280 COc1ccc(c(c1)CN)O MB01567 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [0,0,0,0,0,0|1,0,1]=2 41 B11R1.280 COc1ccc(c(c1)SC)O MB25475 [0,0,0,0,0,0|1,1,1]=3 42 B11R1.280 COc1ccc(c(n1)OC)Br AB46106 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.280 CSc1cc(ccc1O)C#N MB25650 [0,0,0,0,0,0|1,1,1]=3 44 B11R1.280 CSc1cc(ccc1O)C=O MB25805 [0,0,0,0,0,0|1,1,0]=2 45 B11R1.280 CSc1ccc(c(c1)C=O)O MB02696 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.280 CSc1ccc(c(c1)CN)O MB28138 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.280 CSc1ccc(c(c1)SC)O MB30090 [0,0,0,0,0,0|1,1,1]=3 48 B11R1.280 c1c(c(cnc1C=O)O)C=O AB84406 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.280 c1c(cnc(c1C=O)O)C=O AB84515 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.280 c1cc(c(cc1C#N)C#N)O MB10376 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.280 c1cc(c(cc1C#N)C=O)O MB07859 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.280 c1cc(c(cc1C#N)CN)O MB30149 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.280 c1cc(c(cc1C=O)C#N)F CB10572 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.280 c1cc(c(cc1C=O)C#N)O MB25655 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.280 c1cc(c(cc1C=O)CN)O MB27171 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.280 c1cc(c(cc1CN)C#N)O MB33026 [0,0,0,0,0,0|3,0,1]=4 57 B11R1.280 c1cc(c(cc1CN)C=O)O MB30824 [0,0,0,0,0,0|3,0,1]=4 58 B11R1.280 c1cc(c(cc1CN)CN)O MB31492 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.280 c1cc(c(nc1C=O)C=O)O AB76119 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.30 CCc1cc(ccc1Br)O MB23770 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.30 CCc1cc(ccc1C)O MB23722 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.30 CCc1cc(ccc1F)O MB23754 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.30 CCc1cc(ccc1I)O MB09270 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.30 CCc1cc(ccc1N)O MB23757 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.30 CCc1cc(ccc1O)Br MB00480 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.30 CCc1cc(ccc1O)C MB23622 [1,0,0,0,0,0|1,0,1]=3 67 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.30 CCc1cc(ccc1O)I MB23657 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.30 CCc1cc(ccc1O)N MB23663 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.30 CNc1cc(ccc1Cl)O MB30361 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.30 CNc1cc(ccc1F)O MB28645 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.30 CNc1cc(ccc1I)O MB33108 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.30 CNc1cc(ccc1N)O MB33092 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.30 CNc1cc(ccc1O)Br MB32072 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.30 CNc1cc(ccc1O)F MB26737 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.30 CNc1cc(ccc1O)I MB35760 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.30 CNc1cc(ccc1O)N MB28647 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.30 COc1c(ccc(n1)Br)F AB74998 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.30 COc1c(ccc(n1)I)Br AB73529 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.30 COc1c(ccc(n1)N)F AB76983 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.30 COc1cc(ccc1Br)O MB00359 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.30 COc1cc(ccc1Cl)O MB25434 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.30 COc1cc(ccc1F)O MB08744 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.30 COc1cc(ccc1I)Br CB11560 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.30 COc1cc(ccc1I)O MB29625 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.30 COc1cc(ccc1N)F MB00562 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.30 COc1cc(ccc1N)O MB01122 [1,0,0,0,0,0|2,0,0]=3 89 B10R1.30 COc1cc(ccc1O)Br PB30583 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.30 COc1cc(ccc1O)I MB05217 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.30 COc1cc(cnc1Cl)Br AB43719 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.30 COc1cc(cnc1Cl)F AB74801 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.30 COc1cc(ncc1Cl)N AB70478 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.30 CSc1cc(ccc1Br)O MB38334 [1,0,0,0,0,0|2,1,0]=4 95 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [1,0,0,0,0,0|2,1,0]=4 96 B10R1.30 CSc1cc(ccc1F)O MB25679 [1,0,0,0,0,0|2,1,0]=4 97 B10R1.30 CSc1cc(ccc1I)O MB30001 [1,0,0,0,0,0|2,1,0]=4 98 B10R1.30 CSc1cc(ccc1N)O MB25516 [1,0,0,0,0,0|2,1,0]=4 99 B10R1.30 CSc1cc(ccc1O)Br MB28713 [1,0,0,0,0,0|1,1,0]=3 100 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [1,0,0,0,0,0|1,1,0]=3 101 B10R1.30 CSc1cc(ccc1O)F MB35476 [1,0,0,0,0,0|1,1,0]=3 102 B10R1.30 CSc1cc(ccc1O)N MB29519 [1,0,0,0,0,0|1,1,0]=3 103 B10R1.30 Cc1cc(c(cn1)Br)OC AB40816 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.30 Cc1ccc(c(c1)C#N)O MB36141 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [1,0,0,0,0,0|0,1,1]=3 106 B10R1.30 Cc1ccc(cc1NC)O MB36159 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.30 Cc1ccc(cc1OC)O MB25418 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.30 c1cc(c(cc1Br)CN)O AB10938 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.30 c1cc(c(cc1F)C#N)O MB10100 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.30 c1cc(c(cc1F)CN)O MB12059 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.30 c1cc(c(cc1I)C#N)O MB02487 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.30 c1cc(c(cc1I)CN)O MB08421 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.30 c1cc(c(cc1N)C#N)O MB01949 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.30 c1cc(c(cc1N)C=O)O MB01352 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.172 C#Cc1cccc(c1)C=O AB23573 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.172 CCc1cccc(c1)NN AB27881 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.172 CNc1ccnc(c1)OC AB60615 [1,0,0,0,0,0|2,0,1]=4 122 B10R1.172 COc1cc(ccn1)C#C AB68333 [1,0,0,0,0,0|1,0,2]=4 123 B10R1.172 COc1cc(ccn1)C#N PB24932 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.172 COc1cc(ccn1)C=O PB32415 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.172 COc1cc(ccn1)CCl AB59894 [1,0,0,0,0,0|2,0,1]=4 126 B10R1.172 COc1cc(ccn1)CN PB12590 [1,0,0,0,0,0|2,0,1]=4 127 B10R1.172 COc1cc(ccn1)CO PB12206 [1,0,0,0,0,0|2,0,1]=4 128 B10R1.172 COc1cc(cnc1)C#C AB63414 [1,0,0,0,0,0|1,0,2]=4 129 B10R1.172 COc1cc(cnc1)C=O PB23495 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.172 COc1cc(cnc1)CCl AB67553 [1,0,0,0,0,0|2,0,1]=4 131 B10R1.172 COc1cc(cnc1)CN PB36726 [1,0,0,0,0,0|2,0,1]=4 132 B10R1.172 COc1cc(cnc1)CO PB11991 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.172 COc1cccc(c1)C#C AB04227 [1,0,0,0,0,0|0,0,2]=3 134 B10R1.172 COc1cccc(c1)C#N AB00159 [1,0,0,0,0,0|1,0,1]=3 135 B10R1.172 COc1cccc(c1)C=O AB00318 [1,0,0,0,0,0|1,0,0]=2 136 B10R1.172 COc1cccc(n1)C=O AB22243 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.172 COc1cccc(n1)CCl AB59984 [1,0,0,0,0,0|2,0,1]=4 138 B10R1.172 COc1cccc(n1)CN AB64449 [1,0,0,0,0,0|2,0,1]=4 139 B10R1.172 COc1cccc(n1)CO AB43774 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.172 COc1ccnc(c1)C=O AB43663 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.172 COc1ccnc(c1)CCl AB42302 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.172 COc1ccnc(c1)CCl MB05825 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.172 COc1ccnc(c1)CN AB63680 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.172 COc1ccnc(c1)CO AB42298 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.172 COc1cncc(n1)C=O AB73162 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.172 COc1nccc(n1)C=O AB44816 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [1,0,0,0,0,0|0,0,2]=3 148 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [1,0,0,0,0,0|1,0,2]=4 149 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [1,0,0,0,0,0|1,0,2]=4 150 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [1,0,0,0,0,0|1,0,2]=4 151 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [1,0,0,0,0,0|1,0,2]=4 152 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [1,0,0,0,0,0|1,0,2]=4 153 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [1,0,0,0,0,0|1,0,2]=4 154 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [1,0,0,0,0,0|1,0,2]=4 155 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [1,0,0,0,0,0|1,0,2]=4 156 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [1,0,0,0,0,0|1,0,2]=4 157 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [1,0,0,0,0,0|2,0,1]=4 158 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [1,0,0,0,0,0|2,0,1]=4 159 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [1,0,0,0,0,0|2,0,1]=4 160 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [1,0,0,0,0,0|2,0,1]=4 163 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [1,0,0,0,0,0|2,0,1]=4 164 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [1,0,0,0,0,0|2,0,1]=4 165 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [1,0,0,0,0,0|2,0,1]=4 166 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [1,0,0,0,0,0|2,0,1]=4 167 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [1,0,0,0,0,0|2,0,1]=4 168 B10R1.176 COc1ccc(c(c1)I)O MB07821 [1,0,0,0,0,0|2,0,1]=4 169 B10R1.176 COc1ccc(c(c1)N)O AB25358 [1,0,0,0,0,0|2,0,1]=4 170 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [1,0,0,0,0,0|2,0,1]=4 171 B10R1.176 COc1ccc(c(c1)O)F MB25573 [1,0,0,0,0,0|2,0,1]=4 172 B10R1.176 COc1ccc(c(c1)O)I MB12203 [1,0,0,0,0,0|2,0,1]=4 173 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [1,0,0,0,0,0|2,0,1]=4 174 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [1,0,0,0,0,0|2,0,1]=4 175 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [1,0,0,0,0,0|2,0,1]=4 181 B10R1.176 Cc1c(ccc(n1)C=O)Br MB09863 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.176 Cc1c(ccc(n1)C=O)Cl AB70731 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.176 Cc1c(ccc(n1)C=O)F AB44884 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.176 Cc1cc(ccc1Br)C#N AB01529 [1,0,0,0,0,0|2,0,1]=4 185 B10R1.176 Cc1cc(ccc1Br)C=O AB42951 [1,0,0,0,0,0|2,0,0]=3 186 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [1,0,0,0,0,0|2,0,1]=4 187 B10R1.176 Cc1cc(ccc1Br)NN AB12016 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.176 Cc1cc(ccc1Cl)C=O AB11800 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.176 Cc1cc(ccc1Cl)NN AB13351 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [1,0,0,0,0,0|1,0,1]=3 191 B10R1.176 Cc1cc(ccc1O)CN MB05062 [1,0,0,0,0,0|1,0,1]=3 192 B10R1.176 Cc1cc(ccc1O)NC MB07546 [1,0,0,0,0,0|1,0,1]=3 193 B10R1.176 Cc1cc(cnc1Br)C=O AB44906 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.176 Cc1cc(cnc1C)C=O AB75407 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.176 Cc1cc(cnc1Cl)C=O AB64236 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.176 Cc1cc(cnc1F)C=O AB25943 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.176 Cc1cc(ncc1Br)C=O AB41159 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.176 Cc1cc(ncc1C)C=O AB74125 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.176 Cc1cc(ncc1Cl)C=O AB41161 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.176 Cc1cc(ncc1F)C=O AB75169 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.176 Cc1ccc(cc1O)C#N MB06106 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [1,0,0,0,0,0|2,0,0]=3 203 B10R1.176 Cc1ccc(cc1O)NC MB25401 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.176 Cc1ccc(cc1O)OC MB11905 [1,0,0,0,0,0|2,0,1]=4 205 B10R1.176 Cc1ccc(cc1O)SC MB25438 [1,0,0,0,0,0|2,0,1]=4 206 B10R1.176 Cc1ccc(nc1C)C=O AB74104 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.176 c1c(cnc(c1Cl)O)C=O AB20957 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.176 c1c(cnc(c1O)Cl)C=O AB62785 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.176 c1c(ncc(c1Cl)O)C=O AB67780 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.176 c1c(ncc(c1O)Cl)C=O AB75002 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.176 c1cc(c(cc1C#N)I)O MB09222 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.176 c1cc(c(cc1C#N)O)Br MB25476 [1,0,0,0,0,0|2,0,1]=4 213 B10R1.176 c1cc(c(cc1C#N)O)Cl MB25577 [1,0,0,0,0,0|2,0,1]=4 214 B10R1.176 c1cc(c(cc1C#N)O)I MB12046 [1,0,0,0,0,0|2,0,1]=4 215 B10R1.176 c1cc(c(cc1C#N)O)N MB03898 [1,0,0,0,0,0|2,0,1]=4 216 B10R1.176 c1cc(c(cc1C=O)Cl)Br AB43050 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.176 c1cc(c(cc1C=O)I)F AB44172 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.176 c1cc(c(cc1C=O)I)O MB00259 [1,0,0,0,0,0|2,0,0]=3 219 B10R1.176 c1cc(c(cc1C=O)N)O MB13575 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [1,0,0,0,0,0|2,0,0]=3 221 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [1,0,0,0,0,0|2,0,0]=3 222 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [1,0,0,0,0,0|2,0,0]=3 223 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [1,0,0,0,0,0|2,0,0]=3 224 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [1,0,0,0,0,0|2,0,1]=4 225 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [1,0,0,0,0,0|2,0,1]=4 226 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [1,0,0,0,0,0|2,0,1]=4 227 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [1,0,0,0,0,0|2,0,1]=4 228 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [1,0,0,0,0,0|2,0,1]=4 229 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [1,0,0,0,0,0|2,0,1]=4 230 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [1,0,0,0,0,0|2,0,1]=4 231 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [1,0,0,0,0,0|2,0,1]=4 232 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [1,0,0,0,0,0|2,0,1]=4 233 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.176 c1cc(c(nc1C=O)Cl)O AB74848 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.176 c1cc(c(nc1C=O)O)Cl AB70962 [1,0,0,0,0,0|3,0,0]=4 236 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O AB44497 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.56 CC(C)c1ccc(c(c1)NC)O MB30243 [0,1,0,0,0,0|1,0,2]=4 238 B12R1.56 CC(C)c1ccc(c(c1)OC)O MB01575 [0,1,0,0,0,0|0,0,2]=3 239 B12R1.56 CC(C)c1ccc(c(c1)SC)O MB25794 [0,1,0,0,0,0|0,1,2]=4 240 B12R1.56 CCc1cc(ccc1O)C(=O)N MB23638 [0,1,0,0,0,0|2,0,0]=3 241 B12R1.56 CCc1cc(ccc1O)C(=O)O MB09659 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.56 CCc1cc(ccc1O)C(C)C MB23619 [0,1,0,0,0,0|1,0,2]=4 243 B12R1.56 CCc1cc(ccc1O)N(C)C MB23642 [0,1,0,0,0,0|2,0,1]=4 244 B12R1.56 CN(C)c1ccc(c(c1)OC)O MB38324 [0,1,0,0,0,0|1,0,1]=3 245 B12R1.56 CN(C)c1ccc(c(c1)SC)O MB29146 [0,1,0,0,0,0|1,1,1]=4 246 B12R1.56 CNc1cc(ccc1O)C(=O)N MB36307 [0,1,0,0,0,0|2,0,0]=3 247 B12R1.56 CNc1cc(ccc1O)C(=O)O MB14732 [0,1,0,0,0,0|2,0,0]=3 248 B12R1.56 CNc1cc(ccc1O)N(C)C MB29170 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.56 COc1c(ccc(n1)C(=O)O)F AB66806 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.56 COc1cc(ccc1Br)C(=O)O AB44930 [0,1,0,0,0,0|2,0,0]=3 251 B12R1.56 COc1cc(ccc1O)C(=O)N MB25472 [0,1,0,0,0,0|1,0,0]=2 252 B12R1.56 COc1cc(cnc1Cl)C(=O)O AB66372 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.56 CSc1cc(ccc1O)C(=O)N MB36366 [0,1,0,0,0,0|1,1,0]=3 254 B12R1.56 c1cc(c(cc1C(=O)N)C#N)O MB26383 [0,1,0,0,0,0|3,0,0]=4 255 B12R1.56 c1cc(c(cc1C(=O)N)CN)O MB32597 [0,1,0,0,0,0|3,0,0]=4 256 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O MB08388 [0,1,0,0,0,0|3,0,0]=4 257 B12R1.56 c1cc(c(cc1C(=O)O)CN)O MB02933 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.78 COc1cc(ccc1SC)C=O AB21299 [0,1,0,0,0,0|1,1,0]=3 259 B12R1.286 COc1cc(ccc1O)CC=O CB11185 [0,1,0,0,0,0|0,0,1]=2 260 B12R1.300 COc1cc(cc(c1F)F)C=O AB21036 [0,1,0,0,0,0|2,0,0]=3 261 B12R1.300 COc1cc(cc(c1F)F)CBr AB21049 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.300 COc1cc(cc(c1F)F)CO AB21047 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.300 Cc1cc(cc(c1O)OC)C#N PB11362 [0,1,0,0,0,0|1,0,1]=3 264 B12R1.453 CC(=O)c1c(ccc(n1)C=O)O AB84301 [0,1,0,0,0,0|3,0,0]=4 265 B12R1.453 CC(=O)c1cc(cnc1O)C=O AB84265 [0,1,0,0,0,0|3,0,0]=4 266 B12R1.453 CC(=O)c1cc(ncc1O)C=O AB84161 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.453 CC(C)c1cc(ccc1O)C#N MB22341 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.453 CC(C)c1cc(ccc1O)C=O MB22345 [0,1,0,0,0,0|2,0,0]=3 269 B12R1.453 CC(C)c1cc(ccc1O)CN MB37830 [0,1,0,0,0,0|2,0,1]=4 270 B12R1.453 CC(C)c1cc(ccc1O)OC MB05105 [0,1,0,0,0,0|2,0,1]=4 271 B12R1.453 CCc1ccc(c(c1)C(C)C)O MB01995 [0,1,0,0,0,0|1,0,2]=4 272 B12R1.453 CCc1ccc(c(c1)N(C)C)O MB23877 [0,1,0,0,0,0|1,0,2]=4 273 B12R1.453 CN(C)c1cc(ccc1O)C#N MB32754 [0,1,0,0,0,0|2,0,1]=4 274 B12R1.453 CN(C)c1cc(ccc1O)C=O MB33544 [0,1,0,0,0,0|2,0,0]=3 275 B12R1.453 CN(C)c1cc(ccc1O)CN MB32176 [0,1,0,0,0,0|2,0,1]=4 276 B12R1.453 CN(C)c1cc(ccc1O)OC MB28072 [0,1,0,0,0,0|2,0,1]=4 277 B12R1.453 CN(C)c1cc(ccc1O)SC MB27336 [0,1,0,0,0,0|2,0,1]=4 278 B12R1.453 CNc1ccc(c(c1)N(C)C)O MB27180 [0,1,0,0,0,0|2,0,1]=4 279 B12R1.453 c1cc(c(cc1C=O)C(=O)N)O MB13460 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.654 CCc1ccc(c(c1O)CC)O AB24908 [0,1,0,0,0,0|1,0,2]=4 281 B12R1.654 Cc1cnc(c(c1OC)C)C=O CB11625 [0,1,0,0,0,0|3,0,0]=4 282 B12R2.44 C#Cc1ccc2c(c1)OCO2 AB42394 [0,0,0,1,0,0|0,0,2]=3 283 B12R2.44 c1c(cnc2c1OCO2)C=O AB66663 [0,0,0,1,0,0|2,0,0]=3 284 B12R2.44 c1c(cnc2c1OCO2)CCl AB73668 [0,0,0,1,0,0|2,0,1]=4 285 B12R2.44 c1c(cnc2c1OCO2)CN AB73667 [0,0,0,1,0,0|2,0,1]=4 286 B12R2.44 c1cc(cc2c1cco2)C=O MB06876 [0,0,0,1,0,0|2,0,1]=4 287 B12R2.44 c1cc2c(cc1C=O)CCO2 AB02770 [0,0,0,1,0,0|2,0,0]=3 288 B12R2.44 c1cc2c(cc1C=O)cno2 AB70274 [0,0,0,1,0,0|3,0,0]=4 289 B12R2.44 c1cc2c(cc1CCl)CCO2 MB07132 [0,0,0,1,0,0|2,0,1]=4 290 B12R2.44 c1cc2c(cco2)cc1C=O MB02725 [0,0,0,1,0,0|2,0,1]=4 291 B9R1.2 C=Cc1cccc(n1)Br AB74634 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.2 CNc1cccc(c1)O MB25493 [2,0,0,0,0,0|1,0,1]=4 293 B9R1.2 COc1cc(ccn1)Br AB44876 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.2 COc1cc(ccn1)Cl AB27571 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.2 COc1cc(ccn1)F AB53299 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.2 COc1cc(ccn1)I MB06098 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.2 COc1cc(ccn1)N PB20942 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.2 COc1cc(ccn1)O MB11972 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.2 COc1cc(cnc1)Br PB24634 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.2 COc1cc(cnc1)Cl AB55073 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.2 COc1cc(cnc1)F AB66777 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.2 COc1cc(cnc1)I AB43793 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.2 COc1cc(cnc1)N PB12653 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.2 COc1cc(cnc1)N PB25488 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.2 COc1cc(cnc1)O AB29711 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.2 COc1cccc(n1)Cl AB00671 [2,0,0,0,0,0|2,0,0]=4 307 B9R1.2 COc1cccc(n1)F AB55818 [2,0,0,0,0,0|2,0,0]=4 308 B9R1.2 COc1cccc(n1)I AB31101 [2,0,0,0,0,0|2,0,0]=4 309 B9R1.2 COc1cccc(n1)N AB21183 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.2 COc1cccc(n1)O AB31854 [2,0,0,0,0,0|2,0,0]=4 311 B9R1.2 COc1ccnc(c1)Br AB23696 [2,0,0,0,0,0|2,0,0]=4 312 B9R1.2 COc1ccnc(c1)Cl AB10868 [2,0,0,0,0,0|2,0,0]=4 313 B9R1.2 COc1ccnc(c1)F AB66367 [2,0,0,0,0,0|2,0,0]=4 314 B9R1.2 COc1ccnc(c1)N AB41933 [2,0,0,0,0,0|2,0,0]=4 315 B9R1.2 Cc1cc(ccn1)C=O AB24827 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.2 Cc1cc(cnc1)C=O PB18860 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.2 Cc1cc(cnc1)OC AB64998 [2,0,0,0,0,0|1,0,1]=4 318 B9R1.2 Cc1cccc(n1)C=O AB00683 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.2 c1c(cncc1O)C=O AB67779 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [2,0,0,0,0,0|1,0,1]=4 321 B9R1.2 c1cnc(cc1O)C=O AB68125 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.15 CCc1c(cccn1)O MB01433 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.15 CCc1ccncc1O MB12325 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.15 CCc1cnccc1O MB24095 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.15 CNc1ccncc1O MB27525 [2,0,0,0,0,0|2,0,0]=4 326 B9R1.15 CNc1cnccc1O MB29366 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.15 COc1c(cccn1)Br PB20024 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.15 COc1c(cccn1)Cl AB13603 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.15 COc1c(cccn1)F AB13397 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.15 COc1c(cccn1)I AB13400 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.15 COc1c(cccn1)N AB07386 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.15 COc1c(cccn1)O AB06074 [2,0,0,0,0,0|1,0,0]=3 333 B9R1.15 COc1cccnc1Br PB29151 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.15 COc1cccnc1Cl AB14749 [2,0,0,0,0,0|2,0,0]=4 335 B9R1.15 COc1cccnc1I AB05182 [2,0,0,0,0,0|2,0,0]=4 336 B9R1.15 COc1cccnc1N AB40614 [2,0,0,0,0,0|2,0,0]=4 337 B9R1.15 COc1cccnc1O AB43293 [2,0,0,0,0,0|1,0,0]=3 338 B9R1.15 COc1ccncc1Br AB22230 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.15 COc1ccncc1Cl AB51203 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.15 COc1ccncc1F AB66775 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.15 COc1ccncc1I AB09106 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.15 COc1ccncc1N AB40817 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.15 COc1ccncc1O MB09117 [2,0,0,0,0,0|1,0,0]=3 344 B9R1.15 COc1cnccc1Br AB43705 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.15 COc1cnccc1Br MB09674 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.15 COc1cnccc1Cl AB66368 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.15 COc1cnccc1F AB66590 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.15 COc1cnccc1N AB55709 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.15 COc1cnccc1O MB25455 [2,0,0,0,0,0|1,0,0]=3 350 B9R1.15 CSc1c(cccn1)O MB01598 [2,0,0,0,0,0|1,1,0]=4 351 B9R1.15 CSc1ccncc1O MB25632 [2,0,0,0,0,0|1,1,0]=4 352 B9R1.15 CSc1cnccc1O MB31499 [2,0,0,0,0,0|1,1,0]=4 353 B9R1.15 Cc1c(cccn1)OC AB03569 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.15 Cc1cccnc1OC AB31414 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.15 c1ccc(c(c1)CI)O MB07048 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.15 c1ccc(c(c1)CN)O MB01565 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [2,0,0,0,0,0|1,0,1]=4 358 B9R1.69 Cc1cc(ccc1I)O MB06793 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.69 Cc1cc(cnc1O)Br AB15087 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.69 Cc1cc(cnc1O)F AB82901 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.69 Cc1cc(cnc1O)I CB10781 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.69 Cc1cc(cnc1O)N AB41215 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.69 Cc1cc(ncc1O)C AB44457 [2,0,0,0,0,0|1,0,1]=4 365 B9R1.69 Cc1cc(ncc1O)Cl AB71184 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.69 Cc1cc(ncc1O)F AB71303 [2,0,0,0,0,0|2,0,0]=4 367 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [2,0,0,0,0,0|1,0,1]=4 368 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [2,0,0,0,0,0|1,0,1]=4 369 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [2,0,0,0,0,0|1,0,1]=4 370 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [2,0,0,0,0,0|1,0,1]=4 371 B9R1.69 Cc1ccc(cc1O)Br MB05210 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.69 Cc1ccc(cc1O)I MB12091 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.69 c1c(c(cnc1Cl)O)O AB69329 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.69 c1cc(c(cc1Br)Cl)O AB00210 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.69 c1cc(c(cc1Br)I)O MB06781 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.69 c1cc(c(cc1Br)N)O MB01067 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.69 c1cc(c(cc1Cl)I)O MB05977 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.69 c1cc(c(cc1F)I)O MB14767 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.69 c1cc(c(cc1F)O)I MB25431 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.69 c1cc(c(cc1I)Br)O MB10373 [2,0,0,0,0,0|2,0,0]=4 385 B9R1.69 c1cc(c(cc1I)Cl)O MB09341 [2,0,0,0,0,0|2,0,0]=4 386 B9R1.69 c1cc(c(cc1I)F)O MB09308 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.69 c1cc(c(cc1I)I)O MB01999 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.69 c1cc(c(cc1I)N)O MB14432 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.69 c1cc(c(cc1I)O)F MB14983 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.69 c1cc(c(cc1I)O)I MB07529 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.69 c1cc(c(cc1I)O)N MB14436 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.69 c1cc(c(cc1N)O)F MB13362 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.69 c1cc(c(cc1N)O)I MB37209 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.1 Cc1ccc(cn1)C=C PB17233 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.1 c1cc(ccc1CI)O MB06957 [2,0,0,0,0,0|1,0,1]=4 398 B9R1.1 c1cc(ccc1CN)O AB11678 [2,0,0,0,0,0|1,0,1]=4 399 B9R1.1 c1cc(ncc1O)C=O AB59867 [2,0,0,0,0,0|2,0,0]=4 400 B11R1.8 COc1cc(cc(c1F)F)Br AB09370 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.8 Cc1cc(cc(c1N)OC)Br AB45704 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.8 Cc1cc(cc(c1O)OC)Br PB12607 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.37 CCc1cc(ccc1OC)O MB13572 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.37 CCc1ccc(cc1OC)O MB23954 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.37 CNc1cc(ccc1OC)O MB27280 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.37 CNc1ccc(cc1OC)O MB33444 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.37 COc1cc(ccc1C#N)Br AB27561 [1,1,0,0,0,0|2,0,0]=4 408 B11R1.37 COc1cc(ccc1C#N)O MB06526 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.37 COc1cc(ccc1C=O)Br AB44855 [1,1,0,0,0,0|1,0,1]=4 410 B11R1.37 COc1cc(ccc1CN)O MB05069 [1,1,0,0,0,0|2,0,0]=4 411 B11R1.37 COc1ccc(cc1SC)O MB31332 [1,1,0,0,0,0|1,1,0]=4 412 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.167 CC(C)c1cc(ccc1O)Br MB00402 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.167 CC(C)c1cc(ccc1O)Cl MB22459 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.167 CC(C)c1cc(ccc1O)F MB22379 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.167 CC(C)c1cc(ccc1O)I MB22381 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.167 CC(C)c1cc(ccc1O)N MB22385 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.167 CN(C)c1cc(ccc1O)Br MB24765 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.167 CN(C)c1cc(ccc1O)Cl MB24769 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.167 CN(C)c1cc(ccc1O)F MB24705 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.167 CN(C)c1cc(ccc1O)I MB24708 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.167 CN(C)c1cc(ccc1O)N MB24713 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.167 Cc1ccc(c(c1)C(C)C)O MB00760 [1,1,0,0,0,0|1,0,1]=4 424 B11R1.167 Cc1ccc(c(c1)N(C)C)O MB23437 [1,1,0,0,0,0|1,0,1]=4 425 B11R1.182 CCOc1cc(ccc1N)F AB20299 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.277 COc1cc(c(cc1O)Br)Cl MB19828 [1,1,0,0,0,0|1,0,0]=3 427 B11R1.9 CCc1cc(cc(c1)O)C=O MB23697 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.9 CCc1cc(cc(c1)OC)O MB23713 [1,1,0,0,0,0|0,0,2]=4 429 B11R1.9 CNc1cc(cc(c1)O)C=O MB26342 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.9 COc1cc(cc(c1)Br)C=O AB29742 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.9 COc1cc(cc(c1)Br)CCl AB70771 [1,1,0,0,0,0|1,0,1]=4 432 B11R1.9 COc1cc(cc(c1)Br)CN AB75539 [1,1,0,0,0,0|1,0,1]=4 433 B11R1.9 COc1cc(cc(c1)Cl)C=O AB43613 [1,1,0,0,0,0|1,0,0]=3 434 B11R1.9 COc1cc(cc(c1)Cl)CBr MB05603 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.9 COc1cc(cc(c1)Cl)CCl AB65632 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.9 COc1cc(cc(c1)Cl)CN AB64550 [1,1,0,0,0,0|1,0,1]=4 437 B11R1.9 COc1cc(cc(c1)Cl)CO MB05597 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.9 COc1cc(cc(c1)F)C=O AB48770 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.9 COc1cc(cc(c1)F)CCl AB66770 [1,1,0,0,0,0|1,0,1]=4 440 B11R1.9 COc1cc(cc(c1)F)CN AB20688 [1,1,0,0,0,0|1,0,1]=4 441 B11R1.9 COc1cc(cc(c1)I)C=O AB77657 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.9 COc1cc(cc(c1)I)CCl AB77557 [1,1,0,0,0,0|1,0,1]=4 443 B11R1.9 COc1cc(cc(c1)I)CN AB77863 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.9 COc1cc(cc(c1)N)CN AB75511 [1,1,0,0,0,0|1,0,1]=4 445 B11R1.9 COc1cc(cc(c1)O)C#N MB09942 [1,1,0,0,0,0|1,0,1]=4 446 B11R1.9 COc1cc(cc(c1)O)C=O AB71613 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.9 COc1cc(cc(c1)O)CN AB71627 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.9 COc1cc(cc(n1)Br)C=O AB67006 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.9 COc1cc(cc(n1)C=O)Br AB67004 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.9 COc1cc(cc(n1)C=O)Cl AB66995 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.9 COc1cc(cc(n1)C=O)F AB78994 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.9 COc1cc(cc(n1)C=O)I AB79037 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.9 COc1cc(cc(n1)C=O)O AB78958 [1,1,0,0,0,0|2,0,0]=4 454 B11R1.9 COc1cc(cc(n1)Cl)C=O AB24808 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.9 COc1cc(cc(n1)F)C=O AB71335 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.9 COc1cc(cc(n1)I)C=O AB79160 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.9 COc1cc(cc(n1)O)C=O AB79201 [1,1,0,0,0,0|2,0,0]=4 458 B11R1.9 COc1cc(nc(c1)Br)C=O AB67863 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.9 COc1cc(nc(c1)Cl)C=O AB67860 [1,1,0,0,0,0|2,0,0]=4 460 B11R1.9 COc1cc(nc(c1)F)C=O AB78853 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.9 COc1cc(nc(c1)I)C=O AB78899 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.9 COc1cc(nc(c1)O)C=O AB79089 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.9 Cc1cc(cc(c1)OC)C=O AB63000 [1,1,0,0,0,0|1,0,0]=3 464 B11R1.9 Cc1cc(cc(c1)OC)CBr AB50499 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.9 Cc1cc(cc(c1)OC)CCl AB75675 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.9 Cc1cc(cc(c1)OC)CN AB75674 [1,1,0,0,0,0|1,0,1]=4 467 B11R1.9 Cc1cc(cc(n1)C=O)OC AB75413 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.9 Cc1cc(cc(n1)OC)C=O AB71378 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.9 Cc1cc(nc(c1)OC)C=O AB75230 [1,1,0,0,0,0|2,0,0]=4 470 B11R1.189 COc1cccc(c1)CC#C AB61395 [1,1,0,0,0,0|0,0,2]=4 471 B11R1.189 COc1cccc(c1)CC=O AB11807 [1,1,0,0,0,0|0,0,1]=3 472 B11R1.189 COc1cccc(c1)CNN PB20154 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.189 COc1cccc(c1)N=C=O AB00186 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.189 COc1cccc(c1)\C=C\Br AB06116 [1,1,0,0,0,0|0,0,0]=2 475 B11R1.266 B(c1cccc(c1)C=C)(O)O AB08117 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.266 B(c1cccc(c1)OC)(O)O AB04236 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.266 CC(=O)c1cc(ccn1)OC AB60202 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.266 CC(=O)c1cc(cnc1)OC AB41130 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.266 CC(=O)c1cccc(n1)OC AB44858 [1,1,0,0,0,0|1,0,1]=4 480 B11R1.266 CC(=O)c1ccnc(c1)OC AB60316 [1,1,0,0,0,0|1,0,1]=4 481 B11R1.266 CCc1cccc(c1)C(=S)N AB26908 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.266 COc1cc(ccn1)C(=O)O PB21858 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.266 COc1cc(cnc1)C(=O)O PB12749 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.266 COc1cccc(c1)C(=N)N AB18305 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.266 COc1cccc(c1)C(=S)N AB20844 [1,1,0,0,0,0|1,0,0]=3 486 B11R1.266 COc1cccc(n1)C(=O)N AB43417 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.266 COc1cccc(n1)C(=O)O AB29993 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.266 COc1ccnc(c1)C(=O)N AB07772 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.266 COc1ccnc(c1)C(=O)O AB20458 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.266 COc1ccnc(c1)C(=O)O AB21831 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.267 CCc1cccc(c1O)C=O MB06560 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.267 CCc1cccc(c1O)OC MB24092 [1,1,0,0,0,0|0,0,2]=4 493 B11R1.267 CNc1cccc(c1O)C=O MB27331 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.267 CNc1cccc(c1O)OC MB37936 [1,1,0,0,0,0|1,0,1]=4 495 B11R1.267 COc1c(c(ccn1)C=O)F AB70965 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.267 COc1c(c(ccn1)C=O)N AB83587 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.267 COc1c(c(ccn1)C=O)O AB74867 [1,1,0,0,0,0|2,0,0]=4 498 B11R1.267 COc1cccc(c1F)C=O AB14344 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.267 COc1cccc(c1I)CO AB63858 [1,1,0,0,0,0|1,0,1]=4 500 B11R1.267 COc1cccc(c1N)C=O AB55845 [1,1,0,0,0,0|1,0,0]=3 501 B11R1.267 COc1ccnc(c1N)C=O AB83755 [1,1,0,0,0,0|2,0,0]=4 502 B11R1.267 COc1ccnc(c1O)C=O AB76798 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.267 COc1cncc(c1N)C=O AB83653 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.267 COc1cncc(c1O)C=O AB74864 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.267 CSc1cccc(c1O)C=O MB33773 [1,1,0,0,0,0|1,1,0]=4 506 B11R1.267 Cc1c(ccnc1C=O)OC AB40740 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.14 Cc1cc(cc(c1O)C)C#N PB30622 [1,1,0,0,0,0|1,0,1]=4 508 B11R1.14 Cc1cc(cc(c1O)Cl)C#N PB11866 [1,1,0,0,0,0|1,0,1]=4 509 B11R1.14 c1c(cc(c(c1O)F)F)C=O AB21039 [1,1,0,0,0,0|2,0,0]=4 510 B11R1.14 c1c(cc(c(c1O)O)Br)C=O MB00252 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.21 Cc1cc(ccc1O)C(=O)N MB23357 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.21 Cc1cc(ccc1O)C(C)C MB22526 [1,1,0,0,0,0|0,0,2]=4 513 B11R1.21 Cc1cc(ccc1O)N(C)C MB23339 [1,1,0,0,0,0|1,0,1]=4 514 B11R1.21 Cc1ccc(cc1C)C(=N)N AB21798 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.21 Cc1ccc(cc1C)C(=S)N AB26899 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.21 Cc1ccc(cc1O)C(=O)N AB63532 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.21 c1cc(c(cc1C(=O)N)Br)O MB31615 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O MB09407 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.21 c1cc(c(cc1C(=O)N)F)O MB30803 [1,1,0,0,0,0|2,0,0]=4 520 B11R1.21 c1cc(c(cc1C(=O)N)I)O MB25459 [1,1,0,0,0,0|2,0,0]=4 521 B11R1.21 c1cc(c(cc1C(=O)N)N)O MB11674 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.21 c1cc(c(cc1C(=O)N)O)Br MB25480 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.21 c1cc(c(cc1C(=O)N)O)Cl MB27786 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.21 c1cc(c(cc1C(=O)N)O)F MB26081 [1,1,0,0,0,0|2,0,0]=4 525 B11R1.21 c1cc(c(cc1C(=O)N)O)I MB09166 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.21 c1cc(c(cc1C(=O)N)O)N MB25500 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.21 c1cc(c(cc1C(=O)O)F)O AB03853 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.21 c1cc(c(cc1C(=O)O)O)F AB05533 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.21 c1cc(c(cc1C(=O)O)O)I AB10648 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.278 c1cc(c(c(c1C=O)F)O)O MB02737 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [1,1,0,0,0,0|0,0,2]=4 533 B11R1.279 CCc1ccc(cc1O)C=O MB23812 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.279 CNc1ccc(cc1O)C=O MB01978 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.279 COc1ccc(cc1O)C#N MB02393 [1,1,0,0,0,0|1,0,1]=4 537 B11R1.279 COc1ccc(cc1O)SC MB37214 [1,1,0,0,0,0|1,0,1]=4 538 B11R1.279 CSc1ccc(cc1O)C=O MB32965 [1,1,0,0,0,0|1,1,0]=4 539 B11R1.279 Cc1cc(cnc1OC)C=O AB64858 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.279 c1cc(c(cc1C=O)O)C#N MB25582 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.279 c1cc(c(cc1C=O)O)C=O MB31163 [1,1,0,0,0,0|1,0,1]=4 542 B13R1.13 CC(C)c1cc(ccc1O)C(=O)N MB22354 [0,2,0,0,0,0|2,0,0]=4 543 B13R1.13 CC(C)c1cc(ccc1O)C(=O)O MB22358 [0,2,0,0,0,0|2,0,0]=4 544 B13R1.13 CN(C)c1cc(ccc1O)C(=O)N MB24682 [0,2,0,0,0,0|2,0,0]=4 545 B13R1.13 CN(C)c1cc(ccc1O)C(=O)O MB24683 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.49 CCc1cc(ccc1O)C(=O)NC MB23632 [0,2,0,0,0,0|1,0,1]=4 547 B13R1.49 CCc1cc(ccc1O)C(=O)OC MB05558 [0,2,0,0,0,0|1,0,1]=4 548 B13R1.49 CNC(=O)c1ccc(c(c1)SC)O MB33967 [0,2,0,0,0,0|0,1,1]=4 549 B13R1.49 CNc1cc(ccc1O)C(=O)NC MB26316 [0,2,0,0,0,0|1,0,1]=4 550 B13R1.49 COc1cc(ccc1I)C(=O)OC AB31122 [0,2,0,0,0,0|1,0,1]=4 551 B13R1.49 Cc1ccc(cc1OC)C(=O)OC AB03124 [0,2,0,0,0,0|1,0,1]=4 552 B13R1.50 COc1cc(ccc1O)C(F)(F)F MB13381 [0,2,0,0,0,0|1,0,1]=4 553 B13R1.298 COc1cc(cc(c1F)F)C(=O)O AB21041 [0,2,0,0,0,0|2,0,0]=4 554 B13R1.298 COc1cc(cc(c1N)S)C(=O)O AB63831 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.651 COc1cc(c(cc1F)N)C(=O)O PB24212 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O AB08049 [0,2,0,0,0,0|2,0,0]=4 557 B13R1.3091 COc1cc(ccc1CN)C(=O)O AB21166 [0,2,0,0,0,0|2,0,0]=4 558 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] AB44873 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.3091 COc1ccc(cc1OC)C(=N)N AB09711 [0,2,0,0,0,0|1,0,0]=3 560 B13R1.99 B(c1ccc(cc1OC)OC)(O)O AB08057 [0,2,0,0,0,0|1,0,1]=4 561 B13R1.99 B(c1ccc(nc1OC)C=O)(O)O AB67132 [0,2,0,0,0,0|2,0,0]=4 562 B13R1.99 B(c1cnc(cc1OC)C=O)(O)O AB67907 [0,2,0,0,0,0|2,0,0]=4 563 B13R1.355 CCOc1cc(ccc1OC)CO CB10086 [0,2,0,0,0,0|1,0,1]=4 564 B13R1.386 COc1ccc(cc1OC)N=C=O AB10404 [0,2,0,0,0,0|1,0,1]=4 565 B13R1.2200 COc1cc(c(cc1OC)Br)OC CB10225 [0,2,0,0,0,0|1,0,1]=4 566 B13R1.2200 COc1cc(c(cc1OC)N)C#N MB00492 [0,2,0,0,0,0|1,0,1]=4 567 B13R1.2200 Cc1cc(c(cc1OC)OC)OC AB20919 [0,2,0,0,0,0|1,0,1]=4 568 B13R1.2422 COc1ccc(c(c1OC)F)C=O MB02736 [0,2,0,0,0,0|1,0,0]=3 569 B13R1.97 CC(C)Oc1cc(ccc1O)C#N MB22824 [0,2,0,0,0,0|1,0,1]=4 570 B13R1.97 CC(C)Oc1cc(ccc1O)C=O MB22831 [0,2,0,0,0,0|1,0,0]=3 571 B13R1.97 CC(C)Oc1cc(ccc1O)CN MB31710 [0,2,0,0,0,0|1,0,1]=4 572 B13R1.97 CC(C)Oc1cc(ccc1O)NC MB34529 [0,2,0,0,0,0|1,0,1]=4 573 B13R1.97 CC(C)Oc1cc(ccc1O)SC MB32564 [0,2,0,0,0,0|1,0,1]=4 574 B13R1.97 CCc1ccc(c(c1)OC(C)C)O MB23907 [0,2,0,0,0,0|0,0,2]=4 575 B13R1.2431 CNC(=O)c1cc(ccc1O)C=O MB25127 [0,2,0,0,0,0|2,0,0]=4 576 B13R1.52 CC(C)Oc1ccc(c(c1)OC)O MB31337 [0,2,0,0,0,0|0,0,2]=4 577 B13R1.98 CC(C)(C)c1cc(ccc1O)C=O MB10140 [0,2,0,0,0,0|2,0,0]=4 578 B11R2.36 c1c(cnc2c1OCO2)Br AB66660 [1,0,0,1,0,0|2,0,0]=4 579 B11R2.36 c1c(cnc2c1OCO2)Cl AB73686 [1,0,0,1,0,0|2,0,0]=4 580 B11R2.36 c1c(cnc2c1OCO2)F AB73689 [1,0,0,1,0,0|2,0,0]=4 581 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [1,0,0,1,0,0|2,0,0]=4 582 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [1,0,0,1,0,0|2,0,0]=4 583 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [1,0,0,1,0,0|2,0,0]=4 584 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O AB07960 [0,1,0,1,0,0|2,0,0]=4 585 B13R2.430 CC(=O)c1cc2c(nc1)OCO2 AB73670 [0,1,0,1,0,0|1,0,1]=4 586 B13R2.430 c1c(cnc2c1OCO2)C(=O)O AB73665 [0,1,0,1,0,0|2,0,0]=4 587 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 AB30281 [0,1,0,1,0,0|1,0,0]=3 588 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 AB12143 [0,1,0,1,0,0|1,0,0]=3 589 B13R2.57 c1c(cnc2c1OCCO2)C=O AB65653 [0,1,0,1,0,0|2,0,0]=4 590 B13R2.57 c1c(ncc2c1OCCO2)C=O MB08156 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.57 c1cc2c(cc1NN)OCCO2 AB12012 [0,1,0,1,0,0|2,0,0]=4 592 B13R2.449 c1cc2c(cc1\C=C\Br)OCO2 AB49370 [0,1,0,1,0,0|0,0,0]=2 593 B13R2.599 c1c(c(cc2c1OCO2)Br)C#N MB02421 [0,1,0,1,0,0|1,0,1]=4 594 B13R2.599 c1c(c(cc2c1OCO2)N)C=O AB06502 [0,1,0,1,0,0|1,0,0]=3 595 B13R2.599 c1c(c(cc2c1OCO2)N)CO AB52835 [0,1,0,1,0,0|1,0,1]=4 596 B13R2.654 c1c(cc2c(c1O)OCO2)C=O AB31261 [0,1,0,1,0,0|1,0,0]=3 597 B11R1.265 CCc1c(cccc1O)C=O MB23582 [0,0,0,0,1,1|2,0,0]=4 598 B11R1.265 CCc1cccc(c1OC)O MB24065 [0,0,0,0,1,1|0,0,2]=4 599 B11R1.265 CNc1cccc(c1OC)O MB37522 [0,0,0,0,1,1|1,0,1]=4 600 B11R1.265 COc1c(cccc1O)C#N MB35446 [0,0,0,0,1,1|1,0,1]=4 601 B11R1.265 COc1c(cccc1O)C=O MB03871 [0,0,0,0,1,1|1,0,0]=3 602 B11R1.265 COc1c(cccc1O)CN MB27427 [0,0,0,0,1,1|1,0,1]=4 603 B11R1.265 CSc1c(cccc1O)C=O MB26872 [0,0,0,0,1,1|1,1,0]=4