0 B12R1.286 COc1cc(ccc1O)CC=O CB11185 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.189 CCCc1cccc(c1)NN AB07394 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.189 CNCc1cc(ccn1)OC AB56429 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.189 CNCc1cc(cnc1)OC AB67557 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.189 CNCc1cccc(n1)OC AB67055 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.189 CNCc1ccnc(c1)OC AB67060 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.189 COc1cc(ccn1)CC#N AB63151 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.189 COc1cc(ccn1)CCN AB60206 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.189 COc1cc(cnc1)CCN AB55164 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.189 COc1cc(ncn1)CCN AB76655 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.189 COc1cccc(c1)CC#C AB61395 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.189 COc1cccc(c1)CC=O AB11807 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.189 COc1cccc(c1)CNN PB20154 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.189 COc1cccc(c1)N=C=O AB00186 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.189 COc1cccc(c1)\C=C\Br AB06116 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.189 COc1cccc(n1)CC#N AB55136 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.189 COc1cccc(n1)CCN AB55158 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.189 COc1ccnc(c1)CCN AB65489 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.189 COc1ccnc(n1)CCN AB59354 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.189 COc1cncc(n1)CCN AB73161 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.189 COc1nccc(n1)CCN AB77444 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.189 c1c(cncc1C#N)CCN AB67732 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.189 c1cc(cc(c1)C#N)CCO AB56090 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.189 c1cc(nc(c1)C#N)CCN AB67413 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.189 c1cnc(cc1C#N)CCN AB68141 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.189 c1cnc(cc1CCN)C#N AB67415 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.192 Cc1c(cc(cn1)CCN)Cl AB83313 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.192 Cc1c(cc(cn1)CCN)F AB83027 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.192 Cc1c(ccc(n1)CCN)Cl AB83323 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.192 Cc1c(ccc(n1)CCN)F AB55176 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.192 Cc1cc(cnc1C)CCN AB82569 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.192 Cc1cc(cnc1Cl)CCN AB83362 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.192 Cc1cc(cnc1F)CCN AB55181 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.192 Cc1cc(ncc1Br)CCN AB41181 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.192 Cc1cc(ncc1C)CCN AB65480 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.192 Cc1cc(ncc1Cl)CCN AB41187 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.192 Cc1ccc(nc1C)CCN AB65477 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.192 Cc1ccc(nc1Cl)CCN AB83357 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.192 Cc1ccc(nc1F)CCN AB83081 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.192 Cc1cnc(cc1Cl)CCN AB83280 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.192 Cc1cnc(cc1F)CCN AB82959 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.192 c1c(cnc(c1Cl)F)CCN AB83170 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.192 c1c(cnc(c1Cl)O)CCN AB84072 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.192 c1c(cnc(c1F)Cl)CCN AB83221 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.192 c1c(cnc(c1O)Cl)CCN AB84106 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.192 c1c(ncc(c1Cl)Cl)CCN AB70219 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.192 c1c(ncc(c1Cl)F)CCN AB83159 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.192 c1c(ncc(c1Cl)O)CCN AB84016 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.192 c1c(ncc(c1F)Cl)CCN AB82991 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.192 c1c(ncc(c1N)Cl)CCN AB83920 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.192 c1c(ncc(c1O)Cl)CCN AB84047 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.192 c1cc(c(nc1CCN)Cl)F AB83216 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.192 c1cc(c(nc1CCN)Cl)O AB84098 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.192 c1cc(c(nc1CCN)F)Cl AB83176 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.192 c1cc(c(nc1CCN)O)Cl AB84087 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.280 CCc1cc(ccc1O)C#N MB23616 [1,0,0,0,0,0|1,0,2]=4 56 B11R1.280 CCc1cc(ccc1O)C=O MB23625 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.280 CCc1cc(ccc1O)CN MB23654 [1,0,0,0,0,0|1,0,0]=2 58 B11R1.280 CCc1cc(ccc1O)NC MB23664 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.280 CCc1cc(ccc1O)OC MB23776 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.280 CCc1cc(ccc1O)SC MB23777 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.280 CCc1ccc(c(c1)C#N)O MB23858 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.280 CCc1ccc(c(c1)CC)O MB23888 [1,0,0,0,0,0|1,0,0]=2 63 B11R1.280 CCc1ccc(c(c1)CN)O MB23892 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.280 CCc1ccc(c(c1)NC)O MB23902 [1,0,0,0,0,0|1,0,0]=2 65 B11R1.280 CCc1ccc(c(c1)SC)O MB23909 [1,0,0,0,0,0|0,1,0]=2 66 B11R1.280 CNc1cc(ccc1F)CBr AB66016 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.280 CNc1cc(ccc1O)C#N MB26626 [1,0,0,0,0,0|1,0,2]=4 68 B11R1.280 CNc1cc(ccc1O)C=O MB32371 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.280 CNc1cc(ccc1O)CN MB28730 [1,0,0,0,0,0|1,0,0]=2 70 B11R1.280 CNc1cc(ccc1O)OC MB34517 [1,0,0,0,0,0|2,0,0]=3 71 B11R1.280 CNc1cc(ccc1O)SC MB35888 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.280 CNc1ccc(c(c1)C#N)O MB38357 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.280 CNc1ccc(c(c1)C=O)O MB33629 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.280 CNc1ccc(c(c1)CN)O MB25856 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.280 CNc1ccc(c(c1)NC)O MB31107 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [1,0,0,0,0,0|1,0,0]=2 77 B11R1.280 CNc1ccc(c(c1)SC)O MB32002 [1,0,0,0,0,0|1,1,0]=3 78 B11R1.280 COc1c(ccc(n1)CCl)F AB71011 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.280 COc1c(ccc(n1)CN)F AB75154 [1,0,0,0,0,0|2,0,0]=3 80 B11R1.280 COc1cc(c(nc1)Br)OC AB74694 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.280 COc1cc(c(nc1)N)OC AB49203 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.280 COc1cc(ccc1Cl)C=O AB42981 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.280 COc1cc(ccc1N)C=O AB54813 [1,0,0,0,0,0|2,0,1]=4 84 B11R1.280 COc1cc(ccc1N)CO AB44207 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.280 COc1cc(ccc1O)SC MB01847 [1,0,0,0,0,0|1,0,0]=2 86 B11R1.280 COc1cc(cnc1Cl)CN AB73142 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.280 COc1cc(ncc1Br)OC AB70587 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.280 COc1cc(ncc1N)OC AB49206 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.280 COc1ccc(c(c1)C#N)O MB02405 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.280 COc1ccc(c(c1)CN)O MB01567 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [1,0,0,0,0,0|1,0,0]=2 92 B11R1.280 COc1ccc(c(c1)SC)O MB25475 [1,0,0,0,0,0|1,1,0]=3 93 B11R1.280 COc1ccc(c(n1)OC)Br AB46106 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.280 CSc1cc(ccc1O)C#N MB25650 [1,0,0,0,0,0|0,1,2]=4 95 B11R1.280 CSc1cc(ccc1O)C=O MB25805 [1,0,0,0,0,0|1,1,1]=4 96 B11R1.280 CSc1ccc(c(c1)C=O)O MB02696 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.280 CSc1ccc(c(c1)CN)O MB28138 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.280 CSc1ccc(c(c1)SC)O MB30090 [1,0,0,0,0,0|1,1,0]=3 99 B11R1.280 c1cc(c(cc1CN)C#N)O MB33026 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.280 c1cc(c(cc1CN)C=O)O MB30824 [1,0,0,0,0,0|2,0,0]=3 101 B11R1.280 c1cc(c(cc1CN)CN)O MB31492 [1,0,0,0,0,0|2,0,0]=3 102 B13R1.52 CC(C)Oc1ccc(c(c1)OC)O MB31337 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.52 CC(C)Oc1ccc(c(c1)SC)O MB26196 [0,1,0,0,0,0|2,1,0]=4 104 B13R1.52 CCc1cc(ccc1O)OC(C)C MB23772 [0,1,0,0,0,0|3,0,0]=4 105 B13R1.386 COc1ccc(cc1OC)N=C=O AB10404 [0,1,0,0,0,0|2,0,1]=4 106 B13R2.449 CNCc1cc2c(nc1)OCO2 AB73675 [0,0,0,1,0,0|3,0,0]=4 107 B13R2.449 c1c(cnc2c1OCO2)CCN AB73681 [0,0,0,1,0,0|1,0,0]=2 108 B13R2.449 c1cc2c(cc1\C=C\Br)OCO2 AB49370 [0,0,0,1,0,0|1,0,2]=4 109 B10R1.10 Cc1cc(ccn1)CCN AB55165 [2,0,0,0,0,0|1,0,0]=3 110 B10R1.10 Cc1cc(cnc1)CCN AB55190 [2,0,0,0,0,0|1,0,0]=3 111 B10R1.10 Cc1cc(ncn1)CCN AB64311 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.10 Cc1cccc(c1)CC=O AB11815 [2,0,0,0,0,0|1,0,1]=4 113 B10R1.10 Cc1cccc(n1)CCN AB17067 [2,0,0,0,0,0|1,0,0]=3 114 B10R1.10 Cc1ccnc(n1)CCN AB59280 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.10 c1c(cncc1Br)CCN AB41071 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.10 c1c(cncc1Cl)CCN AB67621 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.10 c1c(cncc1F)CCN AB55166 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.10 c1c(cncc1N)CCN AB67760 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [2,0,0,0,0,0|1,0,0]=3 120 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [2,0,0,0,0,0|1,0,0]=3 122 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [2,0,0,0,0,0|2,0,0]=4 124 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [2,0,0,0,0,0|1,0,0]=3 125 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [2,0,0,0,0,0|0,0,2]=4 126 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.10 c1cnc(cc1Br)CCN AB55853 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.10 c1cnc(cc1CCN)Br AB45468 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.10 c1cnc(cc1CCN)F AB55184 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.10 c1cnc(cc1F)CCN AB55195 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.10 c1cnc(nc1O)CCN AB59283 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.172 C#Cc1cccc(c1)CN AB61367 [2,0,0,0,0,0|1,0,1]=4 138 B10R1.172 CCc1cccc(c1)NN AB27881 [2,0,0,0,0,0|2,0,0]=4 139 B10R1.172 CNc1ccnc(c1)OC AB60615 [2,0,0,0,0,0|2,0,0]=4 140 B10R1.172 COc1cc(ccn1)CCl AB59894 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.172 COc1cc(ccn1)CN PB12590 [2,0,0,0,0,0|1,0,0]=3 142 B10R1.172 COc1cc(ccn1)CO PB12206 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.172 COc1cc(cnc1)CCl AB67553 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.172 COc1cc(cnc1)CN PB36726 [2,0,0,0,0,0|1,0,0]=3 145 B10R1.172 COc1cc(cnc1)CO PB11991 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.172 COc1cc(ncn1)CN PB31189 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.172 COc1cccc(c1)C#C AB04227 [2,0,0,0,0,0|0,0,2]=4 148 B10R1.172 COc1cccc(c1)C#N AB00159 [2,0,0,0,0,0|0,0,2]=4 149 B10R1.172 COc1cccc(c1)C=O AB00318 [2,0,0,0,0,0|1,0,1]=4 150 B10R1.172 COc1cccc(n1)CCl AB59984 [2,0,0,0,0,0|2,0,0]=4 151 B10R1.172 COc1cccc(n1)CN AB64449 [2,0,0,0,0,0|1,0,0]=3 152 B10R1.172 COc1cccc(n1)CO AB43774 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.172 COc1ccnc(c1)CCl AB42302 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.172 COc1ccnc(c1)CCl MB05825 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.172 COc1ccnc(c1)CN AB63680 [2,0,0,0,0,0|1,0,0]=3 156 B10R1.172 COc1ccnc(c1)CO AB42298 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.172 COc1ccnc(n1)CN AB63192 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.172 COc1cncc(n1)CN AB73157 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.172 COc1nccc(n1)CN PB16289 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.1 Cc1ccc(cn1)CCN AB55173 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.1 Cc1ccc(nc1)CCN AB31467 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.1 c1cc(ccc1CCBr)N MB02970 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.1 c1cc(ccc1CCN)Br AB00934 [2,0,0,0,0,0|1,0,0]=3 164 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [2,0,0,0,0,0|1,0,0]=3 165 B10R1.1 c1cc(ccc1CCN)F AB03730 [2,0,0,0,0,0|1,0,0]=3 166 B10R1.1 c1cc(ccc1CCN)N AB00936 [2,0,0,0,0,0|1,0,0]=3 167 B10R1.1 c1cc(ccc1CCO)Br AB00280 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.1 c1cc(ccc1CNN)Br PB32548 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.1 c1cc(ccc1CNN)F PB20964 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.1 c1cc(ncc1Br)CCN PB20258 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.1 c1cc(ncc1CCN)Br AB45460 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.1 c1cc(ncc1CCN)N AB76809 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.1 c1cc(ncc1F)CCN AB45484 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.1 c1cc(ncc1N)CCN AB67762 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.1 c1cc(ncc1O)CCN AB67805 [2,0,0,0,0,0|1,0,0]=3 179 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [2,0,0,0,0,0|0,0,0]=2 180 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [2,0,0,0,0,0|1,0,0]=3 181 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [2,0,0,0,0,0|1,0,0]=3 182 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [2,0,0,0,0,0|1,0,0]=3 183 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [2,0,0,0,0,0|1,0,0]=3 184 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [2,0,0,0,0,0|1,0,0]=3 185 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [2,0,0,0,0,0|1,0,0]=3 186 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [2,0,0,0,0,0|1,0,0]=3 188 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [2,0,0,0,0,0|1,0,0]=3 189 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.176 COc1ccc(c(c1)I)O MB07821 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.176 COc1ccc(c(c1)N)O AB25358 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.176 COc1ccc(c(c1)O)F MB25573 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.176 COc1ccc(c(c1)O)I MB12203 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.176 Cc1c(ccc(n1)CN)Cl AB75079 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.176 Cc1c(ccc(n1)CN)F AB75158 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.176 Cc1cc(ccc1Br)NN AB12016 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.176 Cc1cc(ccc1Cl)NN AB13351 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.176 Cc1cc(ccc1O)C#N MB10144 [2,0,0,0,0,0|0,0,2]=4 219 B10R1.176 Cc1cc(ccc1O)CN MB05062 [2,0,0,0,0,0|0,0,0]=2 220 B10R1.176 Cc1cc(ccc1O)NC MB07546 [2,0,0,0,0,0|1,0,0]=3 221 B10R1.176 Cc1cc(cnc1C)CN AB70585 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.176 Cc1cc(cnc1Cl)CN AB74569 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.176 Cc1cc(cnc1F)CN AB83087 [2,0,0,0,0,0|2,0,0]=4 224 B10R1.176 Cc1cc(ncc1Br)CN AB41153 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.176 Cc1cc(ncc1C)CN AB65468 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.176 Cc1cc(ncc1Cl)CN AB41152 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.176 Cc1cc(ncc1F)CN AB74877 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.176 Cc1ccc(cc1O)NC MB25401 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.176 Cc1ccc(cc1O)OC MB11905 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.176 Cc1ccc(cc1O)SC MB25438 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.176 Cc1ccc(nc1C)CN AB65463 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.176 Cn1cc(ccc1=O)CN PB15234 [2,0,0,0,0,0|1,0,1]=4 233 B10R1.176 c1c(cnc(c1Cl)O)CN AB84069 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.176 c1c(cnc(c1O)Cl)CN AB84104 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.176 c1c(ncc(c1Cl)O)CN AB84014 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.176 c1c(ncc(c1O)Cl)CN AB84044 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [2,0,0,0,0,0|1,0,0]=3 238 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [2,0,0,0,0,0|1,0,0]=3 239 B10R1.176 c1cc(c(cc1CN)F)N AB50278 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [2,0,0,0,0,0|1,0,0]=3 241 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [2,0,0,0,0,0|1,0,0]=3 242 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [2,0,0,0,0,0|1,0,0]=3 243 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [2,0,0,0,0,0|1,0,0]=3 244 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [2,0,0,0,0,0|1,0,0]=3 245 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [2,0,0,0,0,0|1,0,0]=3 246 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [2,0,0,0,0,0|1,0,0]=3 247 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [2,0,0,0,0,0|1,0,0]=3 248 B10R1.176 c1cc(c(nc1CN)Cl)O AB84096 [2,0,0,0,0,0|2,0,0]=4 249 B10R1.176 c1cc(c(nc1CN)O)Cl AB84086 [2,0,0,0,0,0|2,0,0]=4 250 B10R1.30 CCc1cc(ccc1O)Br MB00480 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.30 CCc1cc(ccc1O)C MB23622 [2,0,0,0,0,0|1,0,0]=3 252 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [2,0,0,0,0,0|2,0,0]=4 253 B10R1.30 CCc1cc(ccc1O)I MB23657 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.30 CCc1cc(ccc1O)N MB23663 [2,0,0,0,0,0|1,0,0]=3 255 B10R1.30 CNc1cc(ccc1O)Br MB32072 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.30 CNc1cc(ccc1O)F MB26737 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.30 CNc1cc(ccc1O)I MB35760 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.30 CNc1cc(ccc1O)N MB28647 [2,0,0,0,0,0|1,0,0]=3 259 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [2,0,0,0,0,0|2,0,0]=4 260 B10R1.30 COc1c(ccc(n1)N)F AB76983 [2,0,0,0,0,0|2,0,0]=4 261 B10R1.30 COc1cc(ccc1Br)O MB00359 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.30 COc1cc(ccc1Cl)O MB25434 [2,0,0,0,0,0|2,0,0]=4 263 B10R1.30 COc1cc(ccc1F)O MB08744 [2,0,0,0,0,0|2,0,0]=4 264 B10R1.30 COc1cc(ccc1I)Br CB11560 [2,0,0,0,0,0|2,0,0]=4 265 B10R1.30 COc1cc(ccc1I)O MB29625 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.30 COc1cc(ccc1N)F MB00562 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.30 COc1cc(ccc1N)O MB01122 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.30 COc1cc(ccc1O)Br PB30583 [2,0,0,0,0,0|1,0,0]=3 269 B10R1.30 COc1cc(ccc1O)I MB05217 [2,0,0,0,0,0|1,0,0]=3 270 B10R1.30 COc1cc(ncc1Cl)N AB70478 [2,0,0,0,0,0|2,0,0]=4 271 B10R1.30 CSc1cc(ccc1O)Br MB28713 [2,0,0,0,0,0|1,1,0]=4 272 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [2,0,0,0,0,0|1,1,0]=4 273 B10R1.30 CSc1cc(ccc1O)F MB35476 [2,0,0,0,0,0|1,1,0]=4 274 B10R1.30 CSc1cc(ccc1O)N MB29519 [2,0,0,0,0,0|0,1,0]=3 275 B10R1.30 Cc1cc(c(cn1)Br)OC AB40816 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.30 Cc1ccc(c(c1)C#N)O MB36141 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [2,0,0,0,0,0|0,1,0]=3 278 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.30 Cc1ccc(cc1OC)O MB25418 [2,0,0,0,0,0|2,0,0]=4 280 B10R1.30 c1cc(c(cc1N)C#N)O MB01949 [2,0,0,0,0,0|2,0,0]=4 281 B10R1.30 c1cc(c(cc1N)C=O)O MB01352 [2,0,0,0,0,0|2,0,0]=4 282 B10R1.30 c1cc(c(cc1N)CN)O MB10073 [2,0,0,0,0,0|2,0,0]=4 283 B12R1.41 COc1cc(cc(c1)Br)CCN AB66382 [1,1,0,0,0,0|0,0,0]=2 284 B12R1.41 COc1cc(cc(c1)Cl)CCN AB76553 [1,1,0,0,0,0|0,0,0]=2 285 B12R1.41 COc1cc(cc(c1)F)CCN AB55191 [1,1,0,0,0,0|0,0,0]=2 286 B12R1.41 COc1cc(cc(c1)I)CCN AB78228 [1,1,0,0,0,0|0,0,0]=2 287 B12R1.41 COc1cc(cc(c1)N)CCN AB78296 [1,1,0,0,0,0|0,0,0]=2 288 B12R1.41 COc1cc(cc(c1)O)CCN AB78307 [1,1,0,0,0,0|0,0,0]=2 289 B12R1.41 COc1cc(cc(n1)Br)CCN AB82303 [1,1,0,0,0,0|1,0,0]=3 290 B12R1.41 COc1cc(cc(n1)CCN)Br AB82128 [1,1,0,0,0,0|1,0,0]=3 291 B12R1.41 COc1cc(cc(n1)CCN)Cl AB82107 [1,1,0,0,0,0|1,0,0]=3 292 B12R1.41 COc1cc(cc(n1)CCN)F AB82084 [1,1,0,0,0,0|1,0,0]=3 293 B12R1.41 COc1cc(cc(n1)CCN)I AB82149 [1,1,0,0,0,0|1,0,0]=3 294 B12R1.41 COc1cc(cc(n1)CCN)N AB82013 [1,1,0,0,0,0|1,0,0]=3 295 B12R1.41 COc1cc(cc(n1)CCN)O AB82029 [1,1,0,0,0,0|1,0,0]=3 296 B12R1.41 COc1cc(cc(n1)Cl)CCN AB71860 [1,1,0,0,0,0|1,0,0]=3 297 B12R1.41 COc1cc(cc(n1)F)CCN AB82263 [1,1,0,0,0,0|1,0,0]=3 298 B12R1.41 COc1cc(cc(n1)I)CCN AB82323 [1,1,0,0,0,0|1,0,0]=3 299 B12R1.41 COc1cc(cc(n1)N)CCN AB82381 [1,1,0,0,0,0|1,0,0]=3 300 B12R1.41 COc1cc(cc(n1)O)CCN AB82393 [1,1,0,0,0,0|1,0,0]=3 301 B12R1.41 COc1cc(nc(c1)Br)CCN AB81940 [1,1,0,0,0,0|1,0,0]=3 302 B12R1.41 COc1cc(nc(c1)Cl)CCN AB81923 [1,1,0,0,0,0|1,0,0]=3 303 B12R1.41 COc1cc(nc(c1)F)CCN AB81903 [1,1,0,0,0,0|1,0,0]=3 304 B12R1.41 COc1cc(nc(c1)I)CCN AB81960 [1,1,0,0,0,0|1,0,0]=3 305 B12R1.41 COc1cc(nc(c1)N)CCN AB82204 [1,1,0,0,0,0|1,0,0]=3 306 B12R1.41 COc1cc(nc(c1)O)CCN AB82216 [1,1,0,0,0,0|1,0,0]=3 307 B12R1.41 COc1cc(nc(n1)CCN)Cl AB59343 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.41 Cc1cc(cc(c1)C#N)CCN AB78260 [1,1,0,0,0,0|2,0,0]=4 309 B12R1.41 Cc1cc(cc(c1)OC)CCN AB55192 [1,1,0,0,0,0|0,0,0]=2 310 B12R1.41 Cc1cc(cc(n1)CCN)OC AB81989 [1,1,0,0,0,0|1,0,0]=3 311 B12R1.41 Cc1cc(cc(n1)OC)CCN AB82362 [1,1,0,0,0,0|1,0,0]=3 312 B12R1.41 Cc1cc(nc(c1)OC)CCN AB82179 [1,1,0,0,0,0|1,0,0]=3 313 B12R1.41 Cc1cc(nc(n1)CCN)OC AB63280 [1,1,0,0,0,0|2,0,0]=4 314 B12R1.41 c1c(cc(cc1C#N)Br)CCN AB71878 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.41 c1c(cc(cc1C#N)Cl)CCN AB78189 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.41 c1c(cc(cc1C#N)F)CCN AB76808 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.41 c1c(cc(cc1C#N)I)CCN AB78220 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.41 c1c(cc(cc1C#N)N)CCN AB78241 [1,1,0,0,0,0|2,0,0]=4 319 B12R1.41 c1c(cc(cc1C#N)O)CCN AB78257 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.279 c1cc(cc(c1)C(=O)O)CCN MB05049 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.280 COc1c(c(ccn1)CCN)F AB76981 [1,1,0,0,0,0|1,0,0]=3 322 B12R1.382 CNCCc1cccc(c1)OC AB09810 [1,1,0,0,0,0|0,0,0]=2 323 B12R1.382 COc1cc(ccn1)CCC=O AB61444 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.382 COc1cc(ccn1)CCCN AB61457 [1,1,0,0,0,0|1,0,0]=3 325 B12R1.382 COc1cccc(c1)CCC=O AB42268 [1,1,0,0,0,0|1,0,0]=3 326 B12R1.382 COc1cccc(c1)CCCN AB07601 [1,1,0,0,0,0|0,0,0]=2 327 B12R1.382 COc1cccc(n1)CCCN AB55126 [1,1,0,0,0,0|1,0,0]=3 328 B12R1.382 COc1ccnc(c1)CCCN AB67906 [1,1,0,0,0,0|1,0,0]=3 329 B12R1.435 C[C@H](CN)c1cccc(c1)OC AB85100 [1,1,0,0,0,0|0,0,0]=2 330 B12R1.438 CC(Cc1cccc(c1)OC)N MB01562 [1,1,0,0,0,0|0,0,0]=2 331 B12R1.438 COc1cccc(c1)CC(=N)N AB21306 [1,1,0,0,0,0|0,0,1]=3 332 B12R1.438 COc1cccc(c1)NC(=N)N AB30295 [1,1,0,0,0,0|1,0,1]=4 333 B12R1.438 C[C@@H](Cc1cccc(c1)OC)N AB76439 [1,1,0,0,0,0|0,0,0]=2 334 B12R1.438 C[C@H](Cc1cccc(c1)OC)N AB76426 [1,1,0,0,0,0|0,0,0]=2 335 B12R1.19 Cc1cc(ccc1O)OC(C)C MB23056 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.44 Cc1cc(nc(c1C)C)CCN AB82600 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.288 COc1c(cc(cn1)CCN)F AB76978 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.385 Cc1c(ccc(n1)CCCN)Cl AB83324 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.385 Cc1c(ccc(n1)CCCN)F AB83037 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.385 Cc1cc(cnc1C)CCCN AB82570 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.385 Cc1cc(cnc1Cl)CCCN AB83363 [1,1,0,0,0,0|2,0,0]=4 342 B12R1.385 Cc1cc(cnc1F)CCCN AB83090 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.385 Cc1cc(ncc1C)CCCN AB82564 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.385 Cc1cc(ncc1Cl)CCCN AB83296 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.385 Cc1ccc(nc1C)CCCN AB82573 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.385 c1c(cnc(c1Cl)O)CCCN AB84073 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.385 c1c(cnc(c1O)Cl)CCCN AB84108 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.385 c1c(ncc(c1Cl)O)CCCN AB84017 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.385 c1c(ncc(c1O)Cl)CCCN AB84049 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.385 c1cc(c(cc1CCCN)F)F AB38731 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.385 c1cc(c(nc1CCCN)Cl)O AB84099 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.385 c1cc(c(nc1CCCN)O)Cl AB84090 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.56 CC(C)c1ccc(c(c1)C#N)O MB15050 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.56 CC(C)c1ccc(c(c1)NC)O MB30243 [1,1,0,0,0,0|1,0,0]=3 355 B12R1.56 CC(C)c1ccc(c(c1)OC)O MB01575 [1,1,0,0,0,0|0,0,0]=2 356 B12R1.56 CC(C)c1ccc(c(c1)SC)O MB25794 [1,1,0,0,0,0|0,1,0]=3 357 B12R1.56 CCc1cc(ccc1O)C(=O)N MB23638 [1,1,0,0,0,0|1,0,1]=4 358 B12R1.56 CCc1cc(ccc1O)C(C)C MB23619 [1,1,0,0,0,0|1,0,0]=3 359 B12R1.56 CCc1cc(ccc1O)N(C)C MB23642 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.56 CN(C)c1ccc(c(c1)OC)O MB38324 [1,1,0,0,0,0|1,0,0]=3 361 B12R1.56 CN(C)c1ccc(c(c1)SC)O MB29146 [1,1,0,0,0,0|1,1,0]=4 362 B12R1.56 CNc1cc(ccc1O)C(=O)N MB36307 [1,1,0,0,0,0|1,0,1]=4 363 B12R1.56 CNc1cc(ccc1O)N(C)C MB29170 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.56 COc1cc(ccc1O)C(=O)N MB25472 [1,1,0,0,0,0|0,0,1]=3 365 B12R1.56 CSc1cc(ccc1O)C(=O)N MB36366 [1,1,0,0,0,0|0,1,1]=4 366 B12R1.300 COc1cc(cc(c1F)F)CBr AB21049 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.300 COc1cc(cc(c1F)F)CO AB21047 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.300 Cc1cc(cc(c1O)OC)C#N PB11362 [1,1,0,0,0,0|0,0,2]=4 369 B12R1.453 CC(C)c1cc(ccc1O)CN MB37830 [1,1,0,0,0,0|1,0,0]=3 370 B12R1.453 CC(C)c1cc(ccc1O)OC MB05105 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.453 CCc1ccc(c(c1)C(=O)N)O MB23859 [1,1,0,0,0,0|2,0,0]=4 372 B12R1.453 CCc1ccc(c(c1)C(=O)O)O MB09459 [1,1,0,0,0,0|2,0,0]=4 373 B12R1.453 CCc1ccc(c(c1)C(C)C)O MB01995 [1,1,0,0,0,0|1,0,0]=3 374 B12R1.453 CCc1ccc(c(c1)N(C)C)O MB23877 [1,1,0,0,0,0|1,0,0]=3 375 B12R1.453 CN(C)c1cc(ccc1O)CN MB32176 [1,1,0,0,0,0|1,0,0]=3 376 B12R1.453 CN(C)c1cc(ccc1O)OC MB28072 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.453 CN(C)c1cc(ccc1O)SC MB27336 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.453 CNc1ccc(c(c1)N(C)C)O MB27180 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.453 c1cc(c(cc1CN)C(=O)N)O MB35030 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.453 c1cc(c(cc1CN)C(=O)O)O MB01553 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.654 CCc1ccc(c(c1O)CC)O AB24908 [1,1,0,0,0,0|1,0,0]=3 382 B14R1.3412 CC(C)(C)Oc1ccc(c(c1)OC)O MB36455 [0,2,0,0,0,0|2,0,0]=4 383 B14R1.492 B(c1ccc(cc1OC)OCC)(O)O AB17001 [0,2,0,0,0,0|2,0,0]=4 384 B14R1.492 COc1cc(ccc1[N+](=O)[O-])CCO AB70408 [0,2,0,0,0,0|1,0,1]=4 385 B14R1.793 COc1ccc(cc1OC)CCCN AB08354 [0,2,0,0,0,0|0,0,0]=2 386 B14R1.10285 COc1ccc(c(c1OC)F)CC#N MB02733 [0,2,0,0,0,0|0,0,2]=4 387 B12R2.43 COc1cccc(c1)C2CO2 MB01957 [1,0,0,1,0,0|1,0,0]=3 388 B12R2.44 COc1cc2c(nc1)NCC2 AB26242 [1,0,0,1,0,0|1,0,0]=3 389 B12R2.44 COc1ccc2c(c1)CNC2 AB30381 [1,0,0,1,0,0|2,0,0]=4 390 B12R2.44 COc1ccc2c(c1)NCC2 AB32628 [1,0,0,1,0,0|2,0,0]=4 391 B12R2.44 COc1ccc2c(n1)CCN2 AB73735 [1,0,0,1,0,0|1,0,0]=3 392 B12R2.44 c1cc2c(cc1C#N)CCN2 MB04564 [1,0,0,1,0,0|2,0,0]=4 393 B12R2.315 COc1cccc2c1CNC2 AB63834 [1,0,0,1,0,0|2,0,0]=4 394 B12R2.100 c1c2c(cc(c1Cl)F)NCC2 MB14985 [1,0,0,1,0,0|2,0,0]=4 395 B12R2.100 c1c2c(cc(c1F)Cl)NCC2 MB12062 [1,0,0,1,0,0|2,0,0]=4 396 B12R2.100 c1c2c(cc(c1F)F)NCC2 MB01679 [1,0,0,1,0,0|2,0,0]=4 397 B14R2.3168 CCc1cc(ccc1O)CC2CC2 MB23559 [0,1,0,1,0,0|2,0,0]=4 398 B14R2.3168 CSc1cc(ccc1O)CC2CC2 MB32461 [0,1,0,1,0,0|1,1,0]=4 399 B14R2.82 COc1cc2c(cc1OC)CNC2 MB05818 [0,1,0,1,0,0|2,0,0]=4 400 B14R2.475 Cn1c2cc(ccc2cn1)CCN MB11532 [0,1,0,1,0,0|2,0,0]=4 401 B14R2.991 c1c(cnc2c1OCO2)CCCN AB73684 [0,1,0,1,0,0|1,0,0]=3 402 B14R2.991 c1cc2c(cc1CCC=O)OCO2 AB49248 [0,1,0,1,0,0|1,0,0]=3 403 B14R2.991 c1cc2c(cc1CCCN)OCO2 AB38744 [0,1,0,1,0,0|0,0,0]=2 404 B14R3.3022 c1c2c(cc3c1OCO3)N=NC2 AB58201 [0,0,0,2,0,0|1,0,1]=4