0 B9R1.15 C#Cc1ccccc1Br TS48023 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.15 C#Cc1ccccc1Cl TS55288 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.15 C#Cc1ccccc1F TS77181 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.15 C#Cc1ccccc1O TS55318 [0,0,0,0,0,0|0,1,2]=3 4 B9R1.15 C=Cc1ccccc1Br TS55173 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.15 C=Cc1ccccc1Cl TS00968 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.15 C=Cc1ccccc1F TS32504 [0,0,0,0,0,0|1,0,2]=3 7 B9R1.15 C=Cc1ccccc1I TS24807 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.15 CC[n+]1ccccc1Br TS33546 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.15 CCc1c(cncn1)F TS71104 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.15 CCc1c(nccn1)C TS04922 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.15 CCc1cccc[n+]1[O-] TS32558 [0,0,0,0,0,0|1,1,0]=2 12 B9R1.15 CCc1ccccc1Br TS15420 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.15 CCc1ccccc1C TS16337 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.15 CCc1ccccc1Cl TS37450 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.15 CCc1ccccc1I TS25157 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.15 CCc1ccccc1N TS32474 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.15 CCc1ccccc1O TS04900 [0,0,0,0,0,0|0,1,0]=1 18 B9R1.15 CCc1ccccc1S TS06304 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.15 CCc1cccnc1C TS32475 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.15 CCc1ccncc1C TS32464 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.15 CCc1cnccc1Br TS92322 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.15 CCc1cnccc1C TS32480 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.15 CCc1cncnc1Cl TS71037 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.15 CCc1cncnc1O TS05018 [0,0,0,0,0,0|2,1,0]=3 25 B9R1.15 CNc1c(cccn1)Br TS49024 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.15 CNc1c(cccn1)Cl TS44725 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.15 CNc1ccccc1Cl TS37531 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.15 CNc1ccccc1F TS56413 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.15 CNc1ccccc1N TS01587 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.15 CNc1ccccc1N TS41998 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.15 CNc1ccccc1N TS60152 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.15 CNc1ccccc1O TS04968 [0,0,0,0,0,0|1,1,0]=2 33 B9R1.15 CNc1cccnc1Br TS49018 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.15 CNc1cccnc1Cl TS06799 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.15 CNc1cccnc1Cl TS46508 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.15 CNc1ccncc1N TS32563 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.15 COc1c(cccn1)Br TS65905 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.15 COc1c(cccn1)Cl TS65976 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.15 COc1c(cccn1)F TS36212 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.15 COc1c(cccn1)I TS02808 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.15 COc1c(cccn1)N TS02635 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.15 COc1c(nccn1)Cl TS55197 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.15 COc1c(nccn1)N TS47372 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.15 COc1ccccc1Br TS00023 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.15 COc1ccccc1Cl TS37688 [0,0,0,0,0,0|2,0,0]=2 46 B9R1.15 COc1ccccc1F TS60288 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.15 COc1ccccc1I TS09308 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.15 COc1ccccc1N TS29238 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.15 COc1ccccc1N TS59329 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.15 COc1ccccc1P TS06425 [0,0,0,0,0,0|2,0,0]=2 51 B9R1.15 COc1ccccc1S TS37393 [0,0,0,0,0,0|1,0,0]=1 52 B9R1.15 COc1ccccc1[Zn+] TS74540 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.15 COc1cccnc1Br TS08305 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.15 COc1cccnc1Cl TS55198 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.15 COc1cccnc1I TS25665 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.15 COc1cccnc1N TS47373 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.15 COc1cccnc1O TS55383 [0,0,0,0,0,0|2,1,0]=3 58 B9R1.15 COc1ccncc1Br TS09454 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.15 COc1ccncc1I TS02810 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.15 COc1ccncc1N TS65861 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.15 CSc1ccccc1Br TS19526 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.15 CSc1ccccc1Cl TS42002 [0,0,0,0,0,0|2,0,0]=2 63 B9R1.15 CSc1ccccc1F TS06689 [0,0,0,0,0,0|2,0,0]=2 64 B9R1.15 CSc1ccccc1I TS27990 [0,0,0,0,0,0|2,0,0]=2 65 B9R1.15 CSc1ccccc1O TS37395 [0,0,0,0,0,0|1,1,0]=2 66 B9R1.15 CSc1ccccc1[Zn+] TS76795 [0,0,0,0,0,0|2,0,0]=2 67 B9R1.15 Cc1c(cccn1)C#N TS60304 [0,0,0,0,0,0|3,0,1]=4 68 B9R1.15 Cc1c(cccn1)C=O TS02436 [0,0,0,0,0,0|3,0,1]=4 69 B9R1.15 Cc1c(cccn1)CBr TS87803 [0,0,0,0,0,0|3,0,0]=3 70 B9R1.15 Cc1c(cccn1)CCl TS90028 [0,0,0,0,0,0|3,0,0]=3 71 B9R1.15 Cc1c(cccn1)CN TS32520 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.15 Cc1c(cccn1)CO TS04969 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.15 Cc1c(cccn1)OC TS04964 [0,0,0,0,0,0|3,0,0]=3 74 B9R1.15 Cc1c(nccn1)CCl TS88673 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.15 Cc1c(nccn1)CN TS92714 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.15 Cc1c(nccn1)CO TS88558 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.15 Cc1c(nccn1)OC TS55427 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.15 Cc1c(nccn1)SC TS37401 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.15 Cc1ccccc1C#C TS02442 [0,0,0,0,0,0|1,0,2]=3 80 B9R1.15 Cc1ccccc1C#N TS04680 [0,0,0,0,0,0|2,0,1]=3 81 B9R1.15 Cc1ccccc1C=C TS02453 [0,0,0,0,0,0|1,0,2]=3 82 B9R1.15 Cc1ccccc1C=O TS04808 [0,0,0,0,0,0|2,0,1]=3 83 B9R1.15 Cc1ccccc1CBr TS01133 [0,0,0,0,0,0|2,0,0]=2 84 B9R1.15 Cc1ccccc1CCl TS37456 [0,0,0,0,0,0|2,0,0]=2 85 B9R1.15 Cc1ccccc1CN TS04867 [0,0,0,0,0,0|2,0,0]=2 86 B9R1.15 Cc1ccccc1CO TS04907 [0,0,0,0,0,0|2,0,0]=2 87 B9R1.15 Cc1ccccc1CS TS06308 [0,0,0,0,0,0|2,0,0]=2 88 B9R1.15 Cc1ccccc1NC TS32471 [0,0,0,0,0,0|2,0,0]=2 89 B9R1.15 Cc1ccccc1NN TS60156 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.15 Cc1ccccc1OC TS32508 [0,0,0,0,0,0|2,0,0]=2 91 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [0,0,0,0,0,0|3,0,0]=3 93 B9R1.15 Cc1cccnc1C#N TS55290 [0,0,0,0,0,0|3,0,1]=4 94 B9R1.15 Cc1cccnc1C=O TS70677 [0,0,0,0,0,0|3,0,1]=4 95 B9R1.15 Cc1cccnc1CCl TS91176 [0,0,0,0,0,0|3,0,0]=3 96 B9R1.15 Cc1cccnc1CN TS32513 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.15 Cc1cccnc1CO TS04977 [0,0,0,0,0,0|3,0,0]=3 98 B9R1.15 Cc1cccnc1OC TS04965 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.15 Cc1ccncc1C#N TS66015 [0,0,0,0,0,0|3,0,1]=4 100 B9R1.15 Cc1ccncc1C=O TS32454 [0,0,0,0,0,0|3,0,1]=4 101 B9R1.15 Cc1ccncc1CCl TS88594 [0,0,0,0,0,0|3,0,0]=3 102 B9R1.15 Cc1ccncc1CN TS04915 [0,0,0,0,0,0|3,0,0]=3 103 B9R1.15 Cc1ccncc1CO TS04980 [0,0,0,0,0,0|3,0,0]=3 104 B9R1.15 Cc1ccncc1NC TS04920 [0,0,0,0,0,0|3,0,0]=3 105 B9R1.15 Cc1ccnnc1CN TS92264 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.15 Cc1cnccc1C#N TS88896 [0,0,0,0,0,0|3,0,1]=4 107 B9R1.15 Cc1cnccc1C=O TS02833 [0,0,0,0,0,0|3,0,1]=4 108 B9R1.15 Cc1cnccc1CCl TS89010 [0,0,0,0,0,0|3,0,0]=3 109 B9R1.15 Cc1cnccc1CN TS32519 [0,0,0,0,0,0|3,0,0]=3 110 B9R1.15 Cc1cnccc1CO TS91100 [0,0,0,0,0,0|3,0,0]=3 111 B9R1.15 Cc1cnncc1CN TS92054 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.15 [C-]#[N+]c1ccccc1Br TS14868 [0,0,0,0,0,0|2,0,1]=3 113 B9R1.15 [C-]#[N+]c1ccccc1Cl TS37133 [0,0,0,0,0,0|2,0,1]=3 114 B9R1.15 c1cc(c(nc1)Br)C#N TS08295 [0,0,0,0,0,0|3,0,1]=4 115 B9R1.15 c1cc(c(nc1)Br)C=O TS08314 [0,0,0,0,0,0|3,0,1]=4 116 B9R1.15 c1cc(c(nc1)Br)CBr TS55083 [0,0,0,0,0,0|3,0,0]=3 117 B9R1.15 c1cc(c(nc1)C#N)Br TS16860 [0,0,0,0,0,0|3,0,1]=4 118 B9R1.15 c1cc(c(nc1)C#N)Cl TS65964 [0,0,0,0,0,0|3,0,1]=4 119 B9R1.15 c1cc(c(nc1)C#N)F TS00973 [0,0,0,0,0,0|3,0,1]=4 120 B9R1.15 c1cc(c(nc1)C#N)I TS52930 [0,0,0,0,0,0|3,0,1]=4 121 B9R1.15 c1cc(c(nc1)C#N)N TS02628 [0,0,0,0,0,0|3,0,1]=4 122 B9R1.15 c1cc(c(nc1)C#N)O TS55289 [0,0,0,0,0,0|2,1,1]=4 123 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [0,0,0,0,0,0|3,0,1]=4 124 B9R1.15 c1cc(c(nc1)C=O)F TS70563 [0,0,0,0,0,0|3,0,1]=4 125 B9R1.15 c1cc(c(nc1)C=O)N TS32498 [0,0,0,0,0,0|3,0,1]=4 126 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [0,0,0,0,0,0|2,1,1]=4 127 B9R1.15 c1cc(c(nc1)CBr)F TS85731 [0,0,0,0,0,0|3,0,0]=3 128 B9R1.15 c1cc(c(nc1)CBr)O TS08820 [0,0,0,0,0,0|2,1,0]=3 129 B9R1.15 c1cc(c(nc1)CCl)F TS86737 [0,0,0,0,0,0|3,0,0]=3 130 B9R1.15 c1cc(c(nc1)CN)F TS86282 [0,0,0,0,0,0|3,0,0]=3 131 B9R1.15 c1cc(c(nc1)CO)F TS88540 [0,0,0,0,0,0|3,0,0]=3 132 B9R1.15 c1cc(c(nc1)CO)N TS05011 [0,0,0,0,0,0|3,0,0]=3 133 B9R1.15 c1cc(c(nc1)CO)O TS55400 [0,0,0,0,0,0|2,1,0]=3 134 B9R1.15 c1cc(c(nc1)CO)O TS70604 [0,0,0,0,0,0|2,1,0]=3 135 B9R1.15 c1cc(c(nc1)Cl)C#N TS55285 [0,0,0,0,0,0|3,0,1]=4 136 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [0,0,0,0,0,0|3,0,1]=4 137 B9R1.15 c1cc(c(nc1)Cl)CCl TS86687 [0,0,0,0,0,0|3,0,0]=3 138 B9R1.15 c1cc(c(nc1)Cl)CO TS55211 [0,0,0,0,0,0|3,0,0]=3 139 B9R1.15 c1cc(c(nc1)F)C#N TS32483 [0,0,0,0,0,0|3,0,1]=4 140 B9R1.15 c1cc(c(nc1)F)C=O TS55324 [0,0,0,0,0,0|3,0,1]=4 141 B9R1.15 c1cc(c(nc1)F)CN TS08409 [0,0,0,0,0,0|3,0,0]=3 142 B9R1.15 c1cc(c(nc1)F)CO TS55320 [0,0,0,0,0,0|3,0,0]=3 143 B9R1.15 c1cc(c(nc1)N)C#N TS47359 [0,0,0,0,0,0|3,0,1]=4 144 B9R1.15 c1cc(c(nc1)N)CCl TS08290 [0,0,0,0,0,0|3,0,0]=3 145 B9R1.15 c1cc(c(nc1)N)CO TS47364 [0,0,0,0,0,0|3,0,0]=3 146 B9R1.15 c1cc(c(nc1)NN)Cl TS60341 [0,0,0,0,0,0|4,0,0]=4 147 B9R1.15 c1cc(c(nc1)O)C#N TS07723 [0,0,0,0,0,0|2,1,1]=4 148 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [0,0,0,0,0,0|2,1,1]=4 149 B9R1.15 c1cc(c(nc1)O)CN TS42244 [0,0,0,0,0,0|2,1,0]=3 150 B9R1.15 c1ccc(c(c1)C#N)Br TS08819 [0,0,0,0,0,0|2,0,1]=3 151 B9R1.15 c1ccc(c(c1)C#N)Cl TS37134 [0,0,0,0,0,0|2,0,1]=3 152 B9R1.15 c1ccc(c(c1)C#N)F TS01022 [0,0,0,0,0,0|2,0,1]=3 153 B9R1.15 c1ccc(c(c1)C#N)I TS60301 [0,0,0,0,0,0|2,0,1]=3 154 B9R1.15 c1ccc(c(c1)C#N)N TS47464 [0,0,0,0,0,0|2,0,1]=3 155 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [0,0,0,0,0,0|1,1,1]=3 156 B9R1.15 c1ccc(c(c1)C#N)[Zn+] TS27646 [0,0,0,0,0,0|2,0,1]=3 157 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [0,0,0,0,0,0|2,0,1]=3 158 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [0,0,0,0,0,0|2,0,1]=3 159 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [0,0,0,0,0,0|2,0,1]=3 160 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [0,0,0,0,0,0|2,0,1]=3 161 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [0,0,0,0,0,0|2,0,1]=3 162 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [0,0,0,0,0,0|2,0,1]=3 163 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [0,0,0,0,0,0|1,1,1]=3 164 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [0,0,0,0,0,0|2,0,0]=2 165 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [0,0,0,0,0,0|2,0,0]=2 166 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [0,0,0,0,0,0|2,0,0]=2 167 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [0,0,0,0,0,0|2,0,0]=2 168 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [0,0,0,0,0,0|1,1,0]=2 169 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [0,0,0,0,0,0|2,0,0]=2 170 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [0,0,0,0,0,0|2,0,0]=2 171 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [0,0,0,0,0,0|2,0,0]=2 172 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [0,0,0,0,0,0|2,0,0]=2 173 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [0,0,0,0,0,0|2,0,0]=2 174 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [0,0,0,0,0,0|2,0,0]=2 175 B9R1.15 c1ccc(c(c1)CN)F TS65429 [0,0,0,0,0,0|2,0,0]=2 176 B9R1.15 c1ccc(c(c1)CN)I TS53416 [0,0,0,0,0,0|2,0,0]=2 177 B9R1.15 c1ccc(c(c1)CN)N TS39642 [0,0,0,0,0,0|2,0,0]=2 178 B9R1.15 c1ccc(c(c1)CN)O TS04954 [0,0,0,0,0,0|1,1,0]=2 179 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [0,0,0,0,0,0|2,0,0]=2 180 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [0,0,0,0,0,0|2,0,0]=2 181 B9R1.15 c1ccc(c(c1)CO)F TS36110 [0,0,0,0,0,0|2,0,0]=2 182 B9R1.15 c1ccc(c(c1)CO)I TS01080 [0,0,0,0,0,0|2,0,0]=2 183 B9R1.15 c1ccc(c(c1)CO)N TS47468 [0,0,0,0,0,0|2,0,0]=2 184 B9R1.15 c1ccc(c(c1)CO)O TS32604 [0,0,0,0,0,0|1,1,0]=2 185 B9R1.15 c1ccc(c(c1)CO)S TS37394 [0,0,0,0,0,0|1,0,0]=1 186 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [0,0,0,0,0,0|2,0,0]=2 187 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [0,0,0,0,0,0|2,0,0]=2 188 B9R1.15 c1ccc(c(c1)CS)F TS06685 [0,0,0,0,0,0|2,0,0]=2 189 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [0,0,0,0,0,0|3,0,0]=3 190 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [0,0,0,0,0,0|3,0,0]=3 191 B9R1.15 c1ccc(c(c1)NN)F TS01033 [0,0,0,0,0,0|3,0,0]=3 192 B9R1.15 c1ccc(c(c1)NN)F TS01034 [0,0,0,0,0,0|3,0,0]=3 193 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [0,0,0,0,0,0|2,1,0]=3 194 B9R1.15 c1cn[nH]c(=O)c1CN TS85858 [0,0,0,0,0,0|3,1,0]=4 195 B9R1.15 c1cnc(c(n1)CCl)Cl TS88674 [0,0,0,0,0,0|4,0,0]=4 196 B9R1.15 c1cnc(c(n1)CN)Cl TS49175 [0,0,0,0,0,0|4,0,0]=4 197 B9R1.15 c1cnc(c(n1)CN)Cl TS86197 [0,0,0,0,0,0|4,0,0]=4 198 B9R1.15 c1cnc(c(n1)CO)Cl TS64972 [0,0,0,0,0,0|4,0,0]=4 199 B9R1.15 c1cncc(c1Br)C#N TS09573 [0,0,0,0,0,0|3,0,1]=4 200 B9R1.15 c1cncc(c1Br)C=O TS09580 [0,0,0,0,0,0|3,0,1]=4 201 B9R1.15 c1cncc(c1C#N)Br TS65919 [0,0,0,0,0,0|3,0,1]=4 202 B9R1.15 c1cncc(c1C#N)F TS04892 [0,0,0,0,0,0|3,0,1]=4 203 B9R1.15 c1cncc(c1C#N)I TS52931 [0,0,0,0,0,0|3,0,1]=4 204 B9R1.15 c1cncc(c1C#N)N TS65856 [0,0,0,0,0,0|3,0,1]=4 205 B9R1.15 c1cncc(c1C=O)Br TS48819 [0,0,0,0,0,0|3,0,1]=4 206 B9R1.15 c1cncc(c1C=O)Cl TS02716 [0,0,0,0,0,0|3,0,1]=4 207 B9R1.15 c1cncc(c1C=O)F TS36047 [0,0,0,0,0,0|3,0,1]=4 208 B9R1.15 c1cncc(c1C=O)N TS32500 [0,0,0,0,0,0|3,0,1]=4 209 B9R1.15 c1cncc(c1C=O)O TS02800 [0,0,0,0,0,0|2,1,1]=4 210 B9R1.15 c1cncc(c1CO)Br TS87802 [0,0,0,0,0,0|3,0,0]=3 211 B9R1.15 c1cncc(c1CO)F TS90447 [0,0,0,0,0,0|3,0,0]=3 212 B9R1.15 c1cncc(c1CO)N TS05021 [0,0,0,0,0,0|3,0,0]=3 213 B9R1.15 c1cncc(c1CO)O TS05089 [0,0,0,0,0,0|2,1,0]=3 214 B9R1.15 c1cncc(c1Cl)C#N TS71034 [0,0,0,0,0,0|3,0,1]=4 215 B9R1.15 c1cncc(c1Cl)C=O TS09675 [0,0,0,0,0,0|3,0,1]=4 216 B9R1.15 c1cncc(c1Cl)CO TS08032 [0,0,0,0,0,0|3,0,0]=3 217 B9R1.15 c1cncc(c1F)C=O TS33163 [0,0,0,0,0,0|3,0,1]=4 218 B9R1.15 c1cncc(c1I)C#N TS52929 [0,0,0,0,0,0|3,0,1]=4 219 B9R1.15 c1cncc(c1N)C#N TS04779 [0,0,0,0,0,0|3,0,1]=4 220 B9R1.15 c1cncc(c1N)C=O TS70883 [0,0,0,0,0,0|3,0,1]=4 221 B9R1.15 c1cncc(c1N)CN TS09431 [0,0,0,0,0,0|3,0,0]=3 222 B9R1.15 c1cncc(c1N)CO TS32608 [0,0,0,0,0,0|3,0,0]=3 223 B8R1.2 C#Cc1ccccc1 TS39865 [1,0,0,0,0,0|0,0,2]=3 224 B8R1.2 C#Cc1ccccn1 TS55319 [1,0,0,0,0,0|1,0,2]=4 225 B8R1.2 C#Cc1cccnc1 TS16364 [1,0,0,0,0,0|1,0,2]=4 226 B8R1.2 C#Cc1ccncc1 TS71113 [1,0,0,0,0,0|1,0,2]=4 227 B8R1.2 C#Cc1ccncc1 TS90305 [1,0,0,0,0,0|1,0,2]=4 228 B8R1.2 C=Cc1ccccc1 TS04045 [1,0,0,0,0,0|0,0,2]=3 229 B8R1.2 C=Cc1ccccn1 TS31704 [1,0,0,0,0,0|1,0,2]=4 230 B8R1.2 C=Cc1cccnc1 TS31705 [1,0,0,0,0,0|1,0,2]=4 231 B8R1.2 C=Cc1ccncc1 TS33177 [1,0,0,0,0,0|1,0,2]=4 232 B8R1.2 CCC1=CCC=CC1 TS04142 [1,0,0,0,0,0|0,0,2]=3 233 B8R1.2 CC[n+]1ccccc1 TS40125 [1,0,0,0,0,0|1,0,0]=2 234 B8R1.2 CC[n+]1ccccc1 TS50650 [1,0,0,0,0,0|1,0,0]=2 235 B8R1.2 CCc1ccccc1 TS04102 [1,0,0,0,0,0|0,0,0]=1 236 B8R1.2 CCc1ccccn1 TS55316 [1,0,0,0,0,0|1,0,0]=2 237 B8R1.2 CCc1cccnc1 TS04113 [1,0,0,0,0,0|1,0,0]=2 238 B8R1.2 CCc1ccncc1 TS04110 [1,0,0,0,0,0|1,0,0]=2 239 B8R1.2 CCc1cnccn1 TS31774 [1,0,0,0,0,0|2,0,0]=3 240 B8R1.2 CNc1ccccc1 TS31758 [1,0,0,0,0,0|1,0,0]=2 241 B8R1.2 CNc1ccccc1 TS40129 [1,0,0,0,0,0|1,0,0]=2 242 B8R1.2 CNc1ccccn1 TS22814 [1,0,0,0,0,0|2,0,0]=3 243 B8R1.2 CNc1cccnc1 TS09432 [1,0,0,0,0,0|2,0,0]=3 244 B8R1.2 CNc1ccncc1 TS16891 [1,0,0,0,0,0|2,0,0]=3 245 B8R1.2 CNc1cnccn1 TS31803 [1,0,0,0,0,0|3,0,0]=4 246 B8R1.2 CNc1ncccn1 TS31802 [1,0,0,0,0,0|3,0,0]=4 247 B8R1.2 COc1ccccc1 TS39801 [1,0,0,0,0,0|1,0,0]=2 248 B8R1.2 COc1cccnn1 TS02827 [1,0,0,0,0,0|3,0,0]=4 249 B8R1.2 COc1ccncc1 TS03163 [1,0,0,0,0,0|2,0,0]=3 250 B8R1.2 COc1ccncn1 TS31815 [1,0,0,0,0,0|3,0,0]=4 251 B8R1.2 COc1cnccn1 TS55429 [1,0,0,0,0,0|3,0,0]=4 252 B8R1.2 COc1ncccn1 TS31823 [1,0,0,0,0,0|3,0,0]=4 253 B8R1.2 CPc1ccccc1 TS32592 [1,0,0,0,0,0|1,0,0]=2 254 B8R1.2 CSc1ccccc1 TS36022 [1,0,0,0,0,0|1,0,0]=2 255 B8R1.2 CSc1ccccn1 TS05101 [1,0,0,0,0,0|2,0,0]=3 256 B8R1.2 CSc1cccnc1 TS05108 [1,0,0,0,0,0|2,0,0]=3 257 B8R1.2 CSc1cnccn1 TS55418 [1,0,0,0,0,0|3,0,0]=4 258 B8R1.2 CSc1ncccn1 TS36144 [1,0,0,0,0,0|3,0,0]=4 259 B8R1.2 C[NH2+]c1ccccc1 TS49917 [1,0,0,0,0,0|1,0,0]=2 260 B8R1.2 C[SiH2]c1ccccc1 TS04929 [1,0,0,0,0,0|0,1,0]=2 261 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [1,0,0,0,0,0|1,0,1]=3 262 B8R1.2 c1c(cncn1)CCl TS91001 [1,0,0,0,0,0|3,0,0]=4 263 B8R1.2 c1c(cncn1)CCl TS91653 [1,0,0,0,0,0|3,0,0]=4 264 B8R1.2 c1c(cncn1)CN TS55503 [1,0,0,0,0,0|3,0,0]=4 265 B8R1.2 c1c(cncn1)CO TS55504 [1,0,0,0,0,0|3,0,0]=4 266 B8R1.2 c1cc(cnc1)C#N TS02037 [1,0,0,0,0,0|2,0,1]=4 267 B8R1.2 c1cc(cnc1)CBr TS09437 [1,0,0,0,0,0|2,0,0]=3 268 B8R1.2 c1cc(cnc1)CCl TS00113 [1,0,0,0,0,0|2,0,0]=3 269 B8R1.2 c1cc(cnc1)CCl TS02031 [1,0,0,0,0,0|2,0,0]=3 270 B8R1.2 c1cc(cnc1)CI TS49544 [1,0,0,0,0,0|2,0,0]=3 271 B8R1.2 c1cc(cnc1)CI TS64566 [1,0,0,0,0,0|2,0,0]=3 272 B8R1.2 c1cc(cnc1)CN TS02883 [1,0,0,0,0,0|2,0,0]=3 273 B8R1.2 c1cc(cnc1)CO TS92960 [1,0,0,0,0,0|2,0,0]=3 274 B8R1.2 c1cc(cnc1)CO TS93835 [1,0,0,0,0,0|2,0,0]=3 275 B8R1.2 c1cc(cnc1)NN TS87727 [1,0,0,0,0,0|3,0,0]=4 276 B8R1.2 c1cc(nnc1)CCl TS90180 [1,0,0,0,0,0|3,0,0]=4 277 B8R1.2 c1cc(nnc1)CN TS90318 [1,0,0,0,0,0|3,0,0]=4 278 B8R1.2 c1cc(nnc1)CO TS59365 [1,0,0,0,0,0|3,0,0]=4 279 B8R1.2 c1ccc(cc1)C#N TS01882 [1,0,0,0,0,0|1,0,1]=3 280 B8R1.2 c1ccc(cc1)C#N TS80489 [1,0,0,0,0,0|1,0,1]=3 281 B8R1.2 c1ccc(cc1)C=O TS43757 [1,0,0,0,0,0|1,0,1]=3 282 B8R1.2 c1ccc(cc1)CCl TS36191 [1,0,0,0,0,0|1,0,0]=2 283 B8R1.2 c1ccc(cc1)CF TS31826 [1,0,0,0,0,0|1,0,0]=2 284 B8R1.2 c1ccc(cc1)CI TS09176 [1,0,0,0,0,0|1,0,0]=2 285 B8R1.2 c1ccc(cc1)CN TS01379 [1,0,0,0,0,0|1,0,0]=2 286 B8R1.2 c1ccc(cc1)CN TS40124 [1,0,0,0,0,0|1,0,0]=2 287 B8R1.2 c1ccc(cc1)CO TS31769 [1,0,0,0,0,0|1,0,0]=2 288 B8R1.2 c1ccc(cc1)CS TS36023 [1,0,0,0,0,0|1,0,0]=2 289 B8R1.2 c1ccc(cc1)I=O TS49692 [1,0,0,0,0,0|2,0,0]=3 290 B8R1.2 c1ccc(cc1)N=O TS31751 [1,0,0,0,0,0|2,0,0]=3 291 B8R1.2 c1ccc(cc1)NN TS07047 [1,0,0,0,0,0|2,0,0]=3 292 B8R1.2 c1ccc(cc1)NN TS31771 [1,0,0,0,0,0|2,0,0]=3 293 B8R1.2 c1ccc(cc1)NN TS61145 [1,0,0,0,0,0|2,0,0]=3 294 B8R1.2 c1ccc(cc1)NN TS76102 [1,0,0,0,0,0|2,0,0]=3 295 B8R1.2 c1ccc(cc1)NO TS31793 [1,0,0,0,0,0|2,0,0]=3 296 B8R1.2 c1ccc(cc1)NO TS37696 [1,0,0,0,0,0|2,0,0]=3 297 B8R1.2 c1ccc(cc1)ON TS07146 [1,0,0,0,0,0|2,0,0]=3 298 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [1,0,0,0,0,0|2,0,0]=3 299 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [1,0,0,0,0,0|2,0,0]=3 300 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [1,0,0,0,0,0|2,0,0]=3 301 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [1,0,0,0,0,0|2,0,0]=3 302 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [1,0,0,0,0,0|2,0,0]=3 303 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [1,0,0,0,0,0|2,0,0]=3 304 B8R1.2 c1ccnc(c1)C#N TS59347 [1,0,0,0,0,0|2,0,1]=4 305 B8R1.2 c1ccnc(c1)C=O TS02469 [1,0,0,0,0,0|2,0,1]=4 306 B8R1.2 c1ccnc(c1)CBr TS47083 [1,0,0,0,0,0|2,0,0]=3 307 B8R1.2 c1ccnc(c1)CCl TS47089 [1,0,0,0,0,0|2,0,0]=3 308 B8R1.2 c1ccnc(c1)CCl TS47090 [1,0,0,0,0,0|2,0,0]=3 309 B8R1.2 c1ccnc(c1)CN TS00811 [1,0,0,0,0,0|2,0,0]=3 310 B8R1.2 c1ccnc(c1)CO TS07144 [1,0,0,0,0,0|2,0,0]=3 311 B8R1.2 c1ccnc(c1)CO TS31798 [1,0,0,0,0,0|2,0,0]=3 312 B8R1.2 c1ccnc(c1)CS TS05100 [1,0,0,0,0,0|2,0,0]=3 313 B8R1.2 c1ccnc(c1)NN TS14875 [1,0,0,0,0,0|3,0,0]=4 314 B8R1.2 c1ccnc(c1)NN TS55380 [1,0,0,0,0,0|3,0,0]=4 315 B8R1.2 c1cnc(cn1)CCl TS88127 [1,0,0,0,0,0|3,0,0]=4 316 B8R1.2 c1cnc(cn1)CN TS01661 [1,0,0,0,0,0|3,0,0]=4 317 B8R1.2 c1cnc(cn1)CO TS88438 [1,0,0,0,0,0|3,0,0]=4 318 B8R1.2 c1cnc(cn1)CS TS36139 [1,0,0,0,0,0|3,0,0]=4 319 B8R1.2 c1cnc(nc1)CCl TS47091 [1,0,0,0,0,0|3,0,0]=4 320 B8R1.2 c1cnc(nc1)CCl TS88108 [1,0,0,0,0,0|3,0,0]=4 321 B8R1.2 c1cnc(nc1)CN TS02480 [1,0,0,0,0,0|3,0,0]=4 322 B8R1.2 c1cnc(nc1)CO TS00517 [1,0,0,0,0,0|3,0,0]=4 323 B8R1.2 c1cnccc1C#N TS03069 [1,0,0,0,0,0|2,0,1]=4 324 B8R1.2 c1cnccc1C=O TS59369 [1,0,0,0,0,0|2,0,1]=4 325 B8R1.2 c1cnccc1CBr TS39318 [1,0,0,0,0,0|2,0,0]=3 326 B8R1.2 c1cnccc1CCl TS16903 [1,0,0,0,0,0|2,0,0]=3 327 B8R1.2 c1cnccc1CN TS31773 [1,0,0,0,0,0|2,0,0]=3 328 B8R1.2 c1cnccc1CO TS07149 [1,0,0,0,0,0|2,0,0]=3 329 B8R1.2 c1cnccc1CO TS71297 [1,0,0,0,0,0|2,0,0]=3 330 B8R1.2 c1cnccc1NN TS89841 [1,0,0,0,0,0|3,0,0]=4 331 B8R1.2 c1cncnc1CN TS16892 [1,0,0,0,0,0|3,0,0]=4 332 B8R1.2 c1cncnc1CN TS85609 [1,0,0,0,0,0|3,0,0]=4 333 B8R1.2 c1cncnc1CO TS33139 [1,0,0,0,0,0|3,0,0]=4 334 B8R1.2 c1cnncc1CN TS90837 [1,0,0,0,0,0|3,0,0]=4 335 B8R1.2 c1cnncc1CO TS89532 [1,0,0,0,0,0|3,0,0]=4 336 B8R1.5 C[n+]1ccccc1Cl TS08381 [1,0,0,0,0,0|2,0,0]=3 337 B8R1.5 C[n+]1ccccc1Cl TS20654 [1,0,0,0,0,0|2,0,0]=3 338 B8R1.5 Cc1c(cccn1)Br TS65908 [1,0,0,0,0,0|2,0,0]=3 339 B8R1.5 Cc1c(cccn1)Cl TS65978 [1,0,0,0,0,0|2,0,0]=3 340 B8R1.5 Cc1c(cccn1)F TS70573 [1,0,0,0,0,0|2,0,0]=3 341 B8R1.5 Cc1c(cccn1)I TS02809 [1,0,0,0,0,0|2,0,0]=3 342 B8R1.5 Cc1c(cccn1)N TS31778 [1,0,0,0,0,0|2,0,0]=3 343 B8R1.5 Cc1c(cccn1)O TS87617 [1,0,0,0,0,0|1,1,0]=3 344 B8R1.5 Cc1c(cncn1)Br TS17002 [1,0,0,0,0,0|3,0,0]=4 345 B8R1.5 Cc1c(cncn1)N TS03237 [1,0,0,0,0,0|3,0,0]=4 346 B8R1.5 Cc1c(nccn1)Br TS08309 [1,0,0,0,0,0|3,0,0]=4 347 B8R1.5 Cc1c(nccn1)C TS47169 [1,0,0,0,0,0|3,0,0]=4 348 B8R1.5 Cc1c(nccn1)Cl TS55202 [1,0,0,0,0,0|3,0,0]=4 349 B8R1.5 Cc1c(nccn1)I TS89593 [1,0,0,0,0,0|3,0,0]=4 350 B8R1.5 Cc1c(nccn1)N TS00719 [1,0,0,0,0,0|3,0,0]=4 351 B8R1.5 Cc1c(nccn1)O TS55386 [1,0,0,0,0,0|2,1,0]=4 352 B8R1.5 Cc1ccc[nH]c1=O TS55401 [1,0,0,0,0,0|1,1,0]=3 353 B8R1.5 Cc1cccc[n+]1C TS25681 [1,0,0,0,0,0|2,0,0]=3 354 B8R1.5 Cc1ccccc1Br TS00024 [1,0,0,0,0,0|1,0,0]=2 355 B8R1.5 Cc1ccccc1C TS04099 [1,0,0,0,0,0|1,0,0]=2 356 B8R1.5 Cc1ccccc1Cl TS36192 [1,0,0,0,0,0|1,0,0]=2 357 B8R1.5 Cc1ccccc1F TS31828 [1,0,0,0,0,0|1,0,0]=2 358 B8R1.5 Cc1ccccc1I TS49343 [1,0,0,0,0,0|1,0,0]=2 359 B8R1.5 Cc1ccccc1N TS40130 [1,0,0,0,0,0|1,0,0]=2 360 B8R1.5 Cc1ccccc1N TS46845 [1,0,0,0,0,0|1,0,0]=2 361 B8R1.5 Cc1ccccc1O TS31768 [1,0,0,0,0,0|0,1,0]=2 362 B8R1.5 Cc1ccccc1S TS05037 [1,0,0,0,0,0|0,0,0]=1 363 B8R1.5 Cc1ccccn1=O TS00106 [1,0,0,0,0,0|1,1,0]=3 364 B8R1.5 Cc1cccnc1Br TS08310 [1,0,0,0,0,0|2,0,0]=3 365 B8R1.5 Cc1cccnc1C TS07903 [1,0,0,0,0,0|2,0,0]=3 366 B8R1.5 Cc1cccnc1Cl TS55203 [1,0,0,0,0,0|2,0,0]=3 367 B8R1.5 Cc1cccnc1F TS08402 [1,0,0,0,0,0|2,0,0]=3 368 B8R1.5 Cc1cccnc1I TS01069 [1,0,0,0,0,0|2,0,0]=3 369 B8R1.5 Cc1cccnc1N TS00720 [1,0,0,0,0,0|2,0,0]=3 370 B8R1.5 Cc1cccnc1N TS01794 [1,0,0,0,0,0|2,0,0]=3 371 B8R1.5 Cc1cccnc1O TS31800 [1,0,0,0,0,0|1,1,0]=3 372 B8R1.5 Cc1cccnc1[Zn+] TS26092 [1,0,0,0,0,0|2,0,0]=3 373 B8R1.5 Cc1ccn[nH]c1=O TS70611 [1,0,0,0,0,0|2,1,0]=4 374 B8R1.5 Cc1ccncc1Br TS09458 [1,0,0,0,0,0|2,0,0]=3 375 B8R1.5 Cc1ccncc1C TS00124 [1,0,0,0,0,0|2,0,0]=3 376 B8R1.5 Cc1ccncc1Cl TS65986 [1,0,0,0,0,0|2,0,0]=3 377 B8R1.5 Cc1ccncc1F TS70582 [1,0,0,0,0,0|2,0,0]=3 378 B8R1.5 Cc1ccncc1N TS02641 [1,0,0,0,0,0|2,0,0]=3 379 B8R1.5 Cc1ccncc1O TS03183 [1,0,0,0,0,0|1,1,0]=3 380 B8R1.5 Cc1ccnnc1Cl TS02026 [1,0,0,0,0,0|3,0,0]=4 381 B8R1.5 Cc1cnccc1Br TS39326 [1,0,0,0,0,0|2,0,0]=3 382 B8R1.5 Cc1cnccc1Br TS88793 [1,0,0,0,0,0|2,0,0]=3 383 B8R1.5 Cc1cnccc1F TS71122 [1,0,0,0,0,0|2,0,0]=3 384 B8R1.5 Cc1cnccc1N TS70892 [1,0,0,0,0,0|2,0,0]=3 385 B8R1.5 Cc1cnccc1O TS70666 [1,0,0,0,0,0|1,1,0]=3 386 B8R1.5 Cc1cncnc1Cl TS71045 [1,0,0,0,0,0|3,0,0]=4 387 B8R1.5 Cc1cncnc1O TS59515 [1,0,0,0,0,0|2,1,0]=4 388 B8R1.5 Cn1ccccc1=O TS31799 [1,0,0,0,0,0|1,1,0]=3 389 B8R1.5 Cn1ccccc1=S TS05102 [1,0,0,0,0,0|1,0,1]=3 390 B8R1.5 c1c[nH]cc(c1=O)I TS23215 [1,0,0,0,0,0|2,1,0]=4 391 B8R1.5 c1cc(c(=O)oc1)O TS00155 [1,0,0,0,0,0|2,1,0]=4 392 B8R1.5 c1cc(c(=S)[nH]c1)N TS36142 [1,0,0,0,0,0|2,0,1]=4 393 B8R1.5 c1cc(c(nc1)Br)Br TS47142 [1,0,0,0,0,0|3,0,0]=4 394 B8R1.5 c1cc(c(nc1)Br)Cl TS08294 [1,0,0,0,0,0|3,0,0]=4 395 B8R1.5 c1cc(c(nc1)Br)F TS08302 [1,0,0,0,0,0|3,0,0]=4 396 B8R1.5 c1cc(c(nc1)Br)N TS02623 [1,0,0,0,0,0|3,0,0]=4 397 B8R1.5 c1cc(c(nc1)Br)N TS20796 [1,0,0,0,0,0|3,0,0]=4 398 B8R1.5 c1cc(c(nc1)Br)O TS08304 [1,0,0,0,0,0|2,1,0]=4 399 B8R1.5 c1cc(c(nc1)Cl)Br TS16857 [1,0,0,0,0,0|3,0,0]=4 400 B8R1.5 c1cc(c(nc1)Cl)Cl TS47154 [1,0,0,0,0,0|3,0,0]=4 401 B8R1.5 c1cc(c(nc1)Cl)F TS55193 [1,0,0,0,0,0|3,0,0]=4 402 B8R1.5 c1cc(c(nc1)Cl)I TS55194 [1,0,0,0,0,0|3,0,0]=4 403 B8R1.5 c1cc(c(nc1)Cl)N TS88773 [1,0,0,0,0,0|3,0,0]=4 404 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [1,0,0,0,0,0|2,1,0]=4 405 B8R1.5 c1cc(c(nc1)F)Br TS16866 [1,0,0,0,0,0|3,0,0]=4 406 B8R1.5 c1cc(c(nc1)F)Cl TS65972 [1,0,0,0,0,0|3,0,0]=4 407 B8R1.5 c1cc(c(nc1)F)F TS00561 [1,0,0,0,0,0|3,0,0]=4 408 B8R1.5 c1cc(c(nc1)F)I TS55327 [1,0,0,0,0,0|3,0,0]=4 409 B8R1.5 c1cc(c(nc1)F)N TS02630 [1,0,0,0,0,0|3,0,0]=4 410 B8R1.5 c1cc(c(nc1)F)N TS40702 [1,0,0,0,0,0|3,0,0]=4 411 B8R1.5 c1cc(c(nc1)F)O TS55326 [1,0,0,0,0,0|2,1,0]=4 412 B8R1.5 c1cc(c(nc1)I)Cl TS57282 [1,0,0,0,0,0|3,0,0]=4 413 B8R1.5 c1cc(c(nc1)I)F TS70569 [1,0,0,0,0,0|3,0,0]=4 414 B8R1.5 c1cc(c(nc1)I)I TS63699 [1,0,0,0,0,0|3,0,0]=4 415 B8R1.5 c1cc(c(nc1)I)N TS02634 [1,0,0,0,0,0|3,0,0]=4 416 B8R1.5 c1cc(c(nc1)I)O TS01068 [1,0,0,0,0,0|2,1,0]=4 417 B8R1.5 c1cc(c(nc1)N)Br TS08286 [1,0,0,0,0,0|3,0,0]=4 418 B8R1.5 c1cc(c(nc1)N)Cl TS47358 [1,0,0,0,0,0|3,0,0]=4 419 B8R1.5 c1cc(c(nc1)N)F TS47362 [1,0,0,0,0,0|3,0,0]=4 420 B8R1.5 c1cc(c(nc1)N)I TS47370 [1,0,0,0,0,0|3,0,0]=4 421 B8R1.5 c1cc(c(nc1)N)N TS00550 [1,0,0,0,0,0|3,0,0]=4 422 B8R1.5 c1cc(c(nc1)N)O TS07282 [1,0,0,0,0,0|2,1,0]=4 423 B8R1.5 c1cc(c(nc1)N)O TS47366 [1,0,0,0,0,0|2,1,0]=4 424 B8R1.5 c1cc(c(nc1)N)S TS36141 [1,0,0,0,0,0|2,0,0]=3 425 B8R1.5 c1cc(c(nc1)O)Br TS09496 [1,0,0,0,0,0|2,1,0]=4 426 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [1,0,0,0,0,0|2,1,0]=4 427 B8R1.5 c1cc(c(nc1)O)F TS70564 [1,0,0,0,0,0|2,1,0]=4 428 B8R1.5 c1cc(c(nc1)O)N TS31820 [1,0,0,0,0,0|2,1,0]=4 429 B8R1.5 c1cc(c(nc1)O)O TS04242 [1,0,0,0,0,0|2,1,0]=4 430 B8R1.5 c1cc(c(nc1)S)O TS05265 [1,0,0,0,0,0|2,0,0]=3 431 B8R1.5 c1cc[n+](c(c1)O)[O-] TS93221 [1,0,0,0,0,0|2,1,0]=4 432 B8R1.5 c1cc[n+](c(c1)S)[O-] TS93094 [1,0,0,0,0,0|2,0,0]=3 433 B8R1.5 c1ccc(c(c1)Br)Br TS46780 [1,0,0,0,0,0|2,0,0]=3 434 B8R1.5 c1ccc(c(c1)Br)I TS65287 [1,0,0,0,0,0|2,0,0]=3 435 B8R1.5 c1ccc(c(c1)Cl)Br TS00021 [1,0,0,0,0,0|2,0,0]=3 436 B8R1.5 c1ccc(c(c1)Cl)Cl TS40486 [1,0,0,0,0,0|2,0,0]=3 437 B8R1.5 c1ccc(c(c1)Cl)I TS26261 [1,0,0,0,0,0|2,0,0]=3 438 B8R1.5 c1ccc(c(c1)Cl)[Zn+] TS59237 [1,0,0,0,0,0|2,0,0]=3 439 B8R1.5 c1ccc(c(c1)F)Br TS46916 [1,0,0,0,0,0|2,0,0]=3 440 B8R1.5 c1ccc(c(c1)F)Cl TS02147 [1,0,0,0,0,0|2,0,0]=3 441 B8R1.5 c1ccc(c(c1)F)F TS07875 [1,0,0,0,0,0|2,0,0]=3 442 B8R1.5 c1ccc(c(c1)F)I TS65430 [1,0,0,0,0,0|2,0,0]=3 443 B8R1.5 c1ccc(c(c1)F)S TS46406 [1,0,0,0,0,0|1,0,0]=2 444 B8R1.5 c1ccc(c(c1)I)I TS65275 [1,0,0,0,0,0|2,0,0]=3 445 B8R1.5 c1ccc(c(c1)N)Br TS20655 [1,0,0,0,0,0|2,0,0]=3 446 B8R1.5 c1ccc(c(c1)N)Br TS55149 [1,0,0,0,0,0|2,0,0]=3 447 B8R1.5 c1ccc(c(c1)N)F TS39663 [1,0,0,0,0,0|2,0,0]=3 448 B8R1.5 c1ccc(c(c1)N)I TS01078 [1,0,0,0,0,0|2,0,0]=3 449 B8R1.5 c1ccc(c(c1)N)N TS31770 [1,0,0,0,0,0|2,0,0]=3 450 B8R1.5 c1ccc(c(c1)N)N TS38979 [1,0,0,0,0,0|2,0,0]=3 451 B8R1.5 c1ccc(c(c1)N)N TS48029 [1,0,0,0,0,0|2,0,0]=3 452 B8R1.5 c1ccc(c(c1)N)O TS00817 [1,0,0,0,0,0|1,1,0]=3 453 B8R1.5 c1ccc(c(c1)N)O TS07143 [1,0,0,0,0,0|1,1,0]=3 454 B8R1.5 c1ccc(c(c1)N)O TS76832 [1,0,0,0,0,0|1,1,0]=3 455 B8R1.5 c1ccc(c(c1)N)S TS47467 [1,0,0,0,0,0|1,0,0]=2 456 B8R1.5 c1ccc(c(c1)O)Br TS00855 [1,0,0,0,0,0|1,1,0]=3 457 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [1,0,0,0,0,0|1,1,0]=3 458 B8R1.5 c1ccc(c(c1)O)F TS04282 [1,0,0,0,0,0|1,1,0]=3 459 B8R1.5 c1ccc(c(c1)O)I TS49691 [1,0,0,0,0,0|1,1,0]=3 460 B8R1.5 c1ccc(c(c1)O)O TS01670 [1,0,0,0,0,0|1,1,0]=3 461 B8R1.5 c1ccc(c(c1)O)S TS36136 [1,0,0,0,0,0|1,0,0]=2 462 B8R1.5 c1ccc(c(c1)P)P TS06642 [1,0,0,0,0,0|2,0,0]=3 463 B8R1.5 c1ccc(c(c1)S)Br TS50856 [1,0,0,0,0,0|1,0,0]=2 464 B8R1.5 c1ccc(c(c1)S)Cl TS07050 [1,0,0,0,0,0|1,0,0]=2 465 B8R1.5 c1ccc(c(c1)S)S TS06772 [1,0,0,0,0,0|1,0,0]=2 466 B8R1.5 c1ccn(=O)c(c1)Br TS07709 [1,0,0,0,0,0|2,1,0]=4 467 B8R1.5 c1ccn(=O)c(c1)Br TS43892 [1,0,0,0,0,0|2,1,0]=4 468 B8R1.5 c1ccn(=O)c(c1)Cl TS42984 [1,0,0,0,0,0|2,1,0]=4 469 B8R1.5 c1ccn(=O)c(c1)Cl TS85343 [1,0,0,0,0,0|2,1,0]=4 470 B8R1.5 c1ccn(=O)c(c1)N TS04192 [1,0,0,0,0,0|2,1,0]=4 471 B8R1.5 c1ccn(=O)c(c1)O TS04239 [1,0,0,0,0,0|2,1,0]=4 472 B8R1.5 c1ccn(=O)c(c1)[S-] TS07545 [1,0,0,0,0,0|2,0,1]=4 473 B8R1.5 c1cncc(c1Br)Br TS02534 [1,0,0,0,0,0|3,0,0]=4 474 B8R1.5 c1cncc(c1Br)Cl TS09572 [1,0,0,0,0,0|3,0,0]=4 475 B8R1.5 c1cncc(c1Br)F TS88832 [1,0,0,0,0,0|3,0,0]=4 476 B8R1.5 c1cncc(c1Br)I TS54679 [1,0,0,0,0,0|3,0,0]=4 477 B8R1.5 c1cncc(c1Br)N TS65852 [1,0,0,0,0,0|3,0,0]=4 478 B8R1.5 c1cncc(c1Br)O TS09582 [1,0,0,0,0,0|2,1,0]=4 479 B8R1.5 c1cncc(c1Cl)Br TS52758 [1,0,0,0,0,0|3,0,0]=4 480 B8R1.5 c1cncc(c1Cl)Br TS65918 [1,0,0,0,0,0|3,0,0]=4 481 B8R1.5 c1cncc(c1Cl)Cl TS15363 [1,0,0,0,0,0|3,0,0]=4 482 B8R1.5 c1cncc(c1Cl)Cl TS65745 [1,0,0,0,0,0|3,0,0]=4 483 B8R1.5 c1cncc(c1Cl)I TS57279 [1,0,0,0,0,0|3,0,0]=4 484 B8R1.5 c1cncc(c1Cl)N TS65854 [1,0,0,0,0,0|3,0,0]=4 485 B8R1.5 c1cncc(c1Cl)O TS09640 [1,0,0,0,0,0|2,1,0]=4 486 B8R1.5 c1cncc(c1F)Br TS09450 [1,0,0,0,0,0|3,0,0]=4 487 B8R1.5 c1cncc(c1F)Cl TS36634 [1,0,0,0,0,0|3,0,0]=4 488 B8R1.5 c1cncc(c1F)F TS32143 [1,0,0,0,0,0|3,0,0]=4 489 B8R1.5 c1cncc(c1I)Cl TS02697 [1,0,0,0,0,0|3,0,0]=4 490 B8R1.5 c1cncc(c1I)Cl TS85392 [1,0,0,0,0,0|3,0,0]=4 491 B8R1.5 c1cncc(c1I)F TS50244 [1,0,0,0,0,0|3,0,0]=4 492 B8R1.5 c1cncc(c1I)N TS09721 [1,0,0,0,0,0|3,0,0]=4 493 B8R1.5 c1cncc(c1I)N TS88838 [1,0,0,0,0,0|3,0,0]=4 494 B8R1.5 c1cncc(c1N)F TS70882 [1,0,0,0,0,0|3,0,0]=4 495 B8R1.5 c1cncc(c1N)F TS85432 [1,0,0,0,0,0|3,0,0]=4 496 B8R1.5 c1cncc(c1N)I TS70887 [1,0,0,0,0,0|3,0,0]=4 497 B8R1.5 c1cncc(c1N)N TS02530 [1,0,0,0,0,0|3,0,0]=4 498 B8R1.5 c1cncc(c1O)Br TS09465 [1,0,0,0,0,0|2,1,0]=4 499 B8R1.5 c1cncc(c1O)Cl TS02695 [1,0,0,0,0,0|2,1,0]=4 500 B8R1.5 c1cncc(c1O)F TS02748 [1,0,0,0,0,0|2,1,0]=4 501 B8R1.5 c1cncc(c1O)N TS65860 [1,0,0,0,0,0|2,1,0]=4 502 B8R1.5 c1cncc(c1O)O TS59374 [1,0,0,0,0,0|2,1,0]=4 503 B10R1.2 CCc1c(c(=O)cco1)O TS37337 [0,1,0,0,0,0|1,1,0]=3 504 B10R1.2 CCc1c(c(ncn1)Cl)Cl TS60037 [0,1,0,0,0,0|3,0,0]=4 505 B10R1.2 CCc1c(c(ncn1)Cl)F TS09658 [0,1,0,0,0,0|3,0,0]=4 506 B10R1.2 CCc1c(c(ncn1)O)Cl TS32988 [0,1,0,0,0,0|3,0,0]=4 507 B10R1.2 CCc1c(c(ncn1)O)F TS71103 [0,1,0,0,0,0|3,0,0]=4 508 B10R1.2 CCc1cccc(c1C)C TS36862 [0,1,0,0,0,0|1,0,0]=2 509 B10R1.2 CCc1cccc(c1O)C TS06085 [0,1,0,0,0,0|0,1,0]=2 510 B10R1.2 COc1c(c(ccn1)N)Br TS91261 [0,1,0,0,0,0|3,0,0]=4 511 B10R1.2 COc1cccc(c1Br)F TS08297 [0,1,0,0,0,0|2,0,0]=3 512 B10R1.2 COc1cccc(c1Br)N TS39650 [0,1,0,0,0,0|2,0,0]=3 513 B10R1.2 COc1cccc(c1Br)O TS38374 [0,1,0,0,0,0|2,0,0]=3 514 B10R1.2 COc1cccc(c1Cl)Cl TS85190 [0,1,0,0,0,0|2,0,0]=3 515 B10R1.2 COc1cccc(c1Cl)N TS55195 [0,1,0,0,0,0|2,0,0]=3 516 B10R1.2 COc1cccc(c1F)Br TS65479 [0,1,0,0,0,0|2,0,0]=3 517 B10R1.2 COc1cccc(c1F)Cl TS42232 [0,1,0,0,0,0|2,0,0]=3 518 B10R1.2 COc1cccc(c1F)F TS02338 [0,1,0,0,0,0|2,0,0]=3 519 B10R1.2 COc1cccc(c1F)O TS37550 [0,1,0,0,0,0|2,0,0]=3 520 B10R1.2 COc1cccc(c1I)F TS09365 [0,1,0,0,0,0|2,0,0]=3 521 B10R1.2 COc1cccc(c1N)F TS55365 [0,1,0,0,0,0|2,0,0]=3 522 B10R1.2 COc1cccc(c1O)Br TS87716 [0,1,0,0,0,0|1,1,0]=3 523 B10R1.2 COc1cccc(c1O)F TS65426 [0,1,0,0,0,0|1,1,0]=3 524 B10R1.2 COc1cccc(c1O)O TS60018 [0,1,0,0,0,0|1,1,0]=3 525 B10R1.2 COc1cccn(=O)c1Br TS19666 [0,1,0,0,0,0|3,0,0]=4 526 B10R1.2 COc1ccnc(c1I)N TS62788 [0,1,0,0,0,0|3,0,0]=4 527 B10R1.2 Cc1c(cccc1Cl)C#N TS41068 [0,1,0,0,0,0|2,0,1]=4 528 B10R1.2 Cc1c(cccc1Cl)OC TS09315 [0,1,0,0,0,0|2,0,0]=3 529 B10R1.2 Cc1c(cccc1Cl)SC TS13276 [0,1,0,0,0,0|2,0,0]=3 530 B10R1.2 Cc1c(cccc1F)C#N TS08978 [0,1,0,0,0,0|2,0,1]=4 531 B10R1.2 Cc1c(cccc1F)C=O TS08977 [0,1,0,0,0,0|2,0,1]=4 532 B10R1.2 Cc1c(cccc1F)CO TS09370 [0,1,0,0,0,0|2,0,0]=3 533 B10R1.2 Cc1c(cccc1N)CO TS37119 [0,1,0,0,0,0|2,0,0]=3 534 B10R1.2 Cc1c(cccc1OC)N TS70644 [0,1,0,0,0,0|2,0,0]=3 535 B10R1.2 Cc1cccc(c1C)C#N TS05675 [0,1,0,0,0,0|2,0,1]=4 536 B10R1.2 Cc1cccc(c1C)C=O TS59680 [0,1,0,0,0,0|2,0,1]=4 537 B10R1.2 Cc1cccc(c1C)CBr TS46745 [0,1,0,0,0,0|2,0,0]=3 538 B10R1.2 Cc1cccc(c1C)CCl TS41469 [0,1,0,0,0,0|2,0,0]=3 539 B10R1.2 Cc1cccc(c1C)CN TS36950 [0,1,0,0,0,0|2,0,0]=3 540 B10R1.2 Cc1cccc(c1C)CO TS37020 [0,1,0,0,0,0|2,0,0]=3 541 B10R1.2 Cc1cccc(c1C)NN TS13271 [0,1,0,0,0,0|3,0,0]=4 542 B10R1.2 Cc1cccc(c1C)NN TS51214 [0,1,0,0,0,0|3,0,0]=4 543 B10R1.2 Cc1cccc(c1C)OC TS02345 [0,1,0,0,0,0|2,0,0]=3 544 B10R1.2 Cc1cccc(c1Cl)C#N TS32910 [0,1,0,0,0,0|2,0,1]=4 545 B10R1.2 Cc1cccc(c1F)C#N TS02161 [0,1,0,0,0,0|2,0,1]=4 546 B10R1.2 Cc1cccc(c1F)C=O TS37170 [0,1,0,0,0,0|2,0,1]=4 547 B10R1.2 Cc1cccc(c1F)CBr TS09289 [0,1,0,0,0,0|2,0,0]=3 548 B10R1.2 Cc1cccc(c1N)OC TS01100 [0,1,0,0,0,0|2,0,0]=3 549 B10R1.2 Cc1cccc(c1O)C=O TS36989 [0,1,0,0,0,0|1,1,1]=4 550 B10R1.2 Cc1cccc(c1O)OC TS55384 [0,1,0,0,0,0|1,1,0]=3 551 B10R1.2 Cc1ccnc(c1Br)OC TS89231 [0,1,0,0,0,0|3,0,0]=4 552 B10R1.2 Cc1ccnc(c1N)OC TS06277 [0,1,0,0,0,0|3,0,0]=4 553 B10R1.2 Cn1cccc(c1=O)CN TS89038 [0,1,0,0,0,0|2,1,0]=4 554 B10R1.2 Cn1cccc(c1=O)CO TS86425 [0,1,0,0,0,0|2,1,0]=4 555 B10R1.2 [C-]#[N+]c1cccc(c1Cl)Cl TS13101 [0,1,0,0,0,0|2,0,1]=4 556 B10R1.2 c1cc(c(c(c1)Br)Br)C=O TS29979 [0,1,0,0,0,0|2,0,1]=4 557 B10R1.2 c1cc(c(c(c1)Br)F)C#N TS01366 [0,1,0,0,0,0|2,0,1]=4 558 B10R1.2 c1cc(c(c(c1)Br)O)C#N TS86717 [0,1,0,0,0,0|1,1,1]=4 559 B10R1.2 c1cc(c(c(c1)Br)O)C=O TS65902 [0,1,0,0,0,0|1,1,1]=4 560 B10R1.2 c1cc(c(c(c1)Cl)Cl)C#N TS47150 [0,1,0,0,0,0|2,0,1]=4 561 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O TS47149 [0,1,0,0,0,0|2,0,1]=4 562 B10R1.2 c1cc(c(c(c1)Cl)Cl)CBr TS07691 [0,1,0,0,0,0|2,0,0]=3 563 B10R1.2 c1cc(c(c(c1)Cl)Cl)CCl TS52077 [0,1,0,0,0,0|2,0,0]=3 564 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN TS47151 [0,1,0,0,0,0|2,0,0]=3 565 B10R1.2 c1cc(c(c(c1)Cl)Cl)CO TS02329 [0,1,0,0,0,0|2,0,0]=3 566 B10R1.2 c1cc(c(c(c1)Cl)Cl)NN TS21555 [0,1,0,0,0,0|3,0,0]=4 567 B10R1.2 c1cc(c(c(c1)Cl)F)C#N TS65484 [0,1,0,0,0,0|2,0,1]=4 568 B10R1.2 c1cc(c(c(c1)Cl)F)C=O TS65968 [0,1,0,0,0,0|2,0,1]=4 569 B10R1.2 c1cc(c(c(c1)Cl)F)CBr TS16732 [0,1,0,0,0,0|2,0,0]=3 570 B10R1.2 c1cc(c(c(c1)Cl)F)CN TS11185 [0,1,0,0,0,0|2,0,0]=3 571 B10R1.2 c1cc(c(c(c1)Cl)F)CO TS42233 [0,1,0,0,0,0|2,0,0]=3 572 B10R1.2 c1cc(c(c(c1)Cl)F)NN TS65488 [0,1,0,0,0,0|3,0,0]=4 573 B10R1.2 c1cc(c(c(c1)Cl)N)C#N TS08289 [0,1,0,0,0,0|2,0,1]=4 574 B10R1.2 c1cc(c(c(c1)Cl)O)C=O TS10793 [0,1,0,0,0,0|1,1,1]=4 575 B10R1.2 c1cc(c(c(c1)F)Br)C#N TS65375 [0,1,0,0,0,0|2,0,1]=4 576 B10R1.2 c1cc(c(c(c1)F)Br)C=O TS38367 [0,1,0,0,0,0|2,0,1]=4 577 B10R1.2 c1cc(c(c(c1)F)Cl)C#N TS41553 [0,1,0,0,0,0|2,0,1]=4 578 B10R1.2 c1cc(c(c(c1)F)Cl)C=O TS08398 [0,1,0,0,0,0|2,0,1]=4 579 B10R1.2 c1cc(c(c(c1)F)Cl)CBr TS08826 [0,1,0,0,0,0|2,0,0]=3 580 B10R1.2 c1cc(c(c(c1)F)F)C#N TS00556 [0,1,0,0,0,0|2,0,1]=4 581 B10R1.2 c1cc(c(c(c1)F)F)C=O TS00555 [0,1,0,0,0,0|2,0,1]=4 582 B10R1.2 c1cc(c(c(c1)F)F)CBr TS08794 [0,1,0,0,0,0|2,0,0]=3 583 B10R1.2 c1cc(c(c(c1)F)F)CCl TS02340 [0,1,0,0,0,0|2,0,0]=3 584 B10R1.2 c1cc(c(c(c1)F)F)CN TS00557 [0,1,0,0,0,0|2,0,0]=3 585 B10R1.2 c1cc(c(c(c1)F)F)CO TS02339 [0,1,0,0,0,0|2,0,0]=3 586 B10R1.2 c1cc(c(c(c1)F)I)C#N TS62378 [0,1,0,0,0,0|2,0,1]=4 587 B10R1.2 c1cc(c(c(c1)F)I)C=O TS09366 [0,1,0,0,0,0|2,0,1]=4 588 B10R1.2 c1cc(c(c(c1)F)N)C#N TS47361 [0,1,0,0,0,0|2,0,1]=4 589 B10R1.2 c1cc(c(c(c1)F)O)C=O TS02771 [0,1,0,0,0,0|1,1,1]=4 590 B10R1.2 c1cc(c(c(c1)I)O)C=O TS27692 [0,1,0,0,0,0|1,1,1]=4 591 B10R1.2 c1cc(c(c(c1)N)O)C#N TS36813 [0,1,0,0,0,0|1,1,1]=4 592 B10R1.2 c1cc(c(c(c1)O)Br)C=O TS94632 [0,1,0,0,0,0|2,0,1]=4 593 B10R1.2 c1cc(c(c(c1)O)F)C#N TS65413 [0,1,0,0,0,0|2,0,1]=4 594 B10R1.2 c1cc(c(c(c1)O)O)C#N TS07696 [0,1,0,0,0,0|1,1,1]=4 595 B10R1.2 c1cc(c(c(c1)O)O)C=O TS06231 [0,1,0,0,0,0|1,1,1]=4 596 B10R1.2 c1cc(c(c(c1)O)O)CN TS37279 [0,1,0,0,0,0|1,1,0]=3 597 B10R1.4 C=CCc1ccccc1Cl TS41221 [0,1,0,0,0,0|1,0,1]=3 598 B10R1.4 C=CCc1ccccc1O TS36846 [0,1,0,0,0,0|0,1,1]=3 599 B10R1.4 C=CCn1ccccc1=O TS36913 [0,1,0,0,0,0|1,1,1]=4 600 B10R1.4 CC=Cc1ccccc1O TS36834 [0,1,0,0,0,0|0,1,1]=3 601 B10R1.4 CCCc1ccccc1C TS05927 [0,1,0,0,0,0|1,0,0]=2 602 B10R1.4 CCCc1ccccc1N TS36961 [0,1,0,0,0,0|1,0,0]=2 603 B10R1.4 CCCc1ccccc1O TS06077 [0,1,0,0,0,0|0,1,0]=2 604 B10R1.4 CCCn1ccccc1=O TS37115 [0,1,0,0,0,0|1,1,0]=3 605 B10R1.4 CCNc1ccccc1C TS06011 [0,1,0,0,0,0|1,0,0]=2 606 B10R1.4 CCNc1ccccc1F TS37294 [0,1,0,0,0,0|1,0,0]=2 607 B10R1.4 CCOc1c(cccn1)Br TS19321 [0,1,0,0,0,0|2,0,0]=3 608 B10R1.4 CCOc1c(cccn1)I TS27857 [0,1,0,0,0,0|2,0,0]=3 609 B10R1.4 CCOc1c(nccn1)C TS37192 [0,1,0,0,0,0|3,0,0]=4 610 B10R1.4 CCOc1ccccc1Br TS39657 [0,1,0,0,0,0|1,0,0]=2 611 B10R1.4 CCOc1ccccc1Cl TS41727 [0,1,0,0,0,0|1,0,0]=2 612 B10R1.4 CCOc1ccccc1F TS37374 [0,1,0,0,0,0|1,0,0]=2 613 B10R1.4 CCOc1ccccc1N TS37118 [0,1,0,0,0,0|1,0,0]=2 614 B10R1.4 CCOc1ccccc1N TS45700 [0,1,0,0,0,0|1,0,0]=2 615 B10R1.4 CCOc1ccccc1O TS06253 [0,1,0,0,0,0|0,1,0]=2 616 B10R1.4 CCOc1ccccc1S TS41408 [0,1,0,0,0,0|0,0,0]=1 617 B10R1.4 CCOc1cccnc1Br TS19312 [0,1,0,0,0,0|2,0,0]=3 618 B10R1.4 CCOc1cccnc1N TS37190 [0,1,0,0,0,0|2,0,0]=3 619 B10R1.4 CCOc1ccncc1Br TS19320 [0,1,0,0,0,0|2,0,0]=3 620 B10R1.4 CCOc1ccncc1N TS37196 [0,1,0,0,0,0|2,0,0]=3 621 B10R1.4 CCOc1cnccc1Br TS38195 [0,1,0,0,0,0|2,0,0]=3 622 B10R1.4 CCSc1ccccc1Br TS49221 [0,1,0,0,0,0|1,0,0]=2 623 B10R1.4 CCSc1ccccc1O TS41412 [0,1,0,0,0,0|0,1,0]=2 624 B10R1.4 CNCc1c(cccn1)F TS86149 [0,1,0,0,0,0|2,0,0]=3 625 B10R1.4 CNCc1ccccc1Cl TS56333 [0,1,0,0,0,0|1,0,0]=2 626 B10R1.4 CNCc1ccccc1O TS45699 [0,1,0,0,0,0|0,1,0]=2 627 B10R1.4 COCc1ccccc1F TS37369 [0,1,0,0,0,0|1,0,0]=2 628 B10R1.4 Cc1c(cccn1)CCO TS37129 [0,1,0,0,0,0|2,0,0]=3 629 B10R1.4 Cc1ccccc1CC#N TS05669 [0,1,0,0,0,0|1,0,1]=3 630 B10R1.4 Cc1ccccc1CC=C TS05766 [0,1,0,0,0,0|1,0,1]=3 631 B10R1.4 Cc1ccccc1CCBr TS54167 [0,1,0,0,0,0|1,0,0]=2 632 B10R1.4 Cc1ccccc1CCO TS37017 [0,1,0,0,0,0|1,0,0]=2 633 B10R1.4 Cc1ccccc1CNC TS36965 [0,1,0,0,0,0|1,0,0]=2 634 B10R1.4 Cc1ccccc1N=C=O TS16709 [0,1,0,0,0,0|2,0,1]=4 635 B10R1.4 Cc1ccccc1N=C=S TS40763 [0,1,0,0,0,0|2,0,1]=4 636 B10R1.4 Cc1ccccc1NC=O TS36923 [0,1,0,0,0,0|2,0,1]=4 637 B10R1.4 [C-]#[N+]Cc1ccccc1Cl TS41069 [0,1,0,0,0,0|1,0,1]=3 638 B10R1.4 c1cc(c(nc1)CC#N)Br TS86311 [0,1,0,0,0,0|2,0,1]=4 639 B10R1.4 c1cc(c(nc1)CCN)Br TS86650 [0,1,0,0,0,0|2,0,0]=3 640 B10R1.4 c1cc(c(nc1)Cl)CC#N TS86278 [0,1,0,0,0,0|2,0,1]=4 641 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [0,1,0,0,0,0|1,1,1]=4 642 B10R1.4 c1ccc(c(c1)C=NO)Br TS18942 [0,1,0,0,0,0|2,0,1]=4 643 B10R1.4 c1ccc(c(c1)C=NO)Cl TS10612 [0,1,0,0,0,0|2,0,1]=4 644 B10R1.4 c1ccc(c(c1)C=NO)F TS37272 [0,1,0,0,0,0|2,0,1]=4 645 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [0,1,0,0,0,0|1,1,1]=4 646 B10R1.4 c1ccc(c(c1)CC#N)Br TS00857 [0,1,0,0,0,0|1,0,1]=3 647 B10R1.4 c1ccc(c(c1)CC#N)Cl TS02146 [0,1,0,0,0,0|1,0,1]=3 648 B10R1.4 c1ccc(c(c1)CC#N)F TS65431 [0,1,0,0,0,0|1,0,1]=3 649 B10R1.4 c1ccc(c(c1)CC#N)I TS01084 [0,1,0,0,0,0|1,0,1]=3 650 B10R1.4 c1ccc(c(c1)CC#N)N TS47469 [0,1,0,0,0,0|1,0,1]=3 651 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [0,1,0,0,0,0|1,0,0]=2 652 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [0,1,0,0,0,0|1,0,0]=2 653 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [0,1,0,0,0,0|1,0,0]=2 654 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [0,1,0,0,0,0|1,0,0]=2 655 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [0,1,0,0,0,0|1,0,0]=2 656 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [0,1,0,0,0,0|1,0,0]=2 657 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [0,1,0,0,0,0|1,0,0]=2 658 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [0,1,0,0,0,0|0,1,0]=2 659 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [0,1,0,0,0,0|1,0,0]=2 660 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [0,1,0,0,0,0|1,0,0]=2 661 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [0,1,0,0,0,0|1,0,0]=2 662 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [0,1,0,0,0,0|1,0,0]=2 663 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [0,1,0,0,0,0|0,1,0]=2 664 B10R1.4 c1ccc(c(c1)CNN)Br TS89985 [0,1,0,0,0,0|2,0,0]=3 665 B10R1.4 c1ccc(c(c1)CNN)Cl TS90343 [0,1,0,0,0,0|2,0,0]=3 666 B10R1.4 c1ccc(c(c1)CNN)F TS88873 [0,1,0,0,0,0|2,0,0]=3 667 B10R1.4 c1ccc(c(c1)CNN)F TS94875 [0,1,0,0,0,0|2,0,0]=3 668 B10R1.4 c1ccc(c(c1)CON)F TS93890 [0,1,0,0,0,0|2,0,0]=3 669 B10R1.4 c1ccc(c(c1)CON)I TS94168 [0,1,0,0,0,0|2,0,0]=3 670 B10R1.4 c1ccc(c(c1)CO[NH3+])Br TS26271 [0,1,0,0,0,0|2,0,0]=3 671 B10R1.4 c1ccc(c(c1)CO[NH3+])Cl TS17764 [0,1,0,0,0,0|2,0,0]=3 672 B10R1.4 c1ccc(c(c1)N=C=O)Br TS53946 [0,1,0,0,0,0|2,0,1]=4 673 B10R1.4 c1ccc(c(c1)N=C=O)Cl TS10358 [0,1,0,0,0,0|2,0,1]=4 674 B10R1.4 c1ccc(c(c1)N=C=O)F TS37082 [0,1,0,0,0,0|2,0,1]=4 675 B10R1.4 c1ccc(c(c1)N=C=O)I TS62099 [0,1,0,0,0,0|2,0,1]=4 676 B10R1.4 c1ccc(c(c1)N=C=S)Br TS44458 [0,1,0,0,0,0|2,0,1]=4 677 B10R1.4 c1ccc(c(c1)N=C=S)Cl TS12736 [0,1,0,0,0,0|2,0,1]=4 678 B10R1.4 c1ccc(c(c1)N=C=S)F TS41282 [0,1,0,0,0,0|2,0,1]=4 679 B10R1.4 c1ccc(c(c1)NC=O)Cl TS10621 [0,1,0,0,0,0|2,0,1]=4 680 B10R1.4 c1ccc(c(c1)NC=O)O TS37102 [0,1,0,0,0,0|1,1,1]=4 681 B10R1.20 C#Cc1ccccc1C=O TS36474 [0,1,0,0,0,0|0,1,2]=4 682 B10R1.20 C=Cc1ccccc1C=C TS36515 [0,1,0,0,0,0|1,0,2]=4 683 B10R1.20 CCc1c(nccn1)CC TS37039 [0,1,0,0,0,0|3,0,0]=4 684 B10R1.20 CCc1c(nccn1)OC TS06275 [0,1,0,0,0,0|2,1,0]=4 685 B10R1.20 CCc1c(nccn1)SC TS41416 [0,1,0,0,0,0|2,0,0]=3 686 B10R1.20 CCc1ccccc1C#N TS59966 [0,1,0,0,0,0|1,0,0]=2 687 B10R1.20 CCc1ccccc1C=O TS36837 [0,1,0,0,0,0|0,1,0]=2 688 B10R1.20 CCc1ccccc1CC TS36854 [0,1,0,0,0,0|1,0,0]=2 689 B10R1.20 CCc1ccccc1NN TS59967 [0,1,0,0,0,0|1,0,0]=2 690 B10R1.20 CCc1ccccc1OC TS06091 [0,1,0,0,0,0|0,1,0]=2 691 B10R1.20 CCc1ccncc1CC TS36953 [0,1,0,0,0,0|2,0,0]=3 692 B10R1.20 CNc1c(cccn1)C=O TS06056 [0,1,0,0,0,0|2,1,0]=4 693 B10R1.20 CNc1c(cccn1)CO TS00522 [0,1,0,0,0,0|2,1,0]=4 694 B10R1.20 CNc1ccccc1OC TS06193 [0,1,0,0,0,0|1,1,0]=3 695 B10R1.20 COc1c(cccn1)C#N TS36816 [0,1,0,0,0,0|3,0,0]=4 696 B10R1.20 COc1c(cccn1)C=O TS55430 [0,1,0,0,0,0|2,1,0]=4 697 B10R1.20 COc1c(cccn1)CN TS85674 [0,1,0,0,0,0|2,1,0]=4 698 B10R1.20 COc1c(cccn1)CN TS86802 [0,1,0,0,0,0|2,1,0]=4 699 B10R1.20 COc1c(cccn1)CO TS88118 [0,1,0,0,0,0|2,1,0]=4 700 B10R1.20 COc1ccccc1C#C TS55428 [0,1,0,0,0,0|2,0,0]=3 701 B10R1.20 COc1ccccc1C#N TS02018 [0,1,0,0,0,0|2,0,0]=3 702 B10R1.20 COc1ccccc1C=C TS36839 [0,1,0,0,0,0|2,0,0]=3 703 B10R1.20 COc1ccccc1C=O TS00088 [0,1,0,0,0,0|1,1,0]=3 704 B10R1.20 COc1ccccc1CBr TS46746 [0,1,0,0,0,0|1,1,0]=3 705 B10R1.20 COc1ccccc1CCl TS01104 [0,1,0,0,0,0|1,1,0]=3 706 B10R1.20 COc1ccccc1CN TS01103 [0,1,0,0,0,0|1,1,0]=3 707 B10R1.20 COc1ccccc1CO TS06248 [0,1,0,0,0,0|1,1,0]=3 708 B10R1.20 COc1ccccc1NN TS46513 [0,1,0,0,0,0|2,0,0]=3 709 B10R1.20 COc1ccccc1OC TS07876 [0,1,0,0,0,0|1,1,0]=3 710 B10R1.20 COc1ccccc1SC TS55437 [0,1,0,0,0,0|1,0,0]=2 711 B10R1.20 COc1ccccc1[Mg]Br TS44048 [0,1,0,0,0,0|2,0,0]=3 712 B10R1.20 COc1cccnc1C#N TS05878 [0,1,0,0,0,0|3,0,0]=4 713 B10R1.20 COc1cccnc1C=O TS06166 [0,1,0,0,0,0|2,1,0]=4 714 B10R1.20 COc1cccnc1CN TS06271 [0,1,0,0,0,0|2,1,0]=4 715 B10R1.20 COc1cccnc1CO TS08026 [0,1,0,0,0,0|2,1,0]=4 716 B10R1.20 COc1cccnc1OC TS16354 [0,1,0,0,0,0|2,1,0]=4 717 B10R1.20 COc1ccncc1C#N TS05877 [0,1,0,0,0,0|3,0,0]=4 718 B10R1.20 COc1ccncc1C=O TS09135 [0,1,0,0,0,0|2,1,0]=4 719 B10R1.20 COc1cnccc1C=O TS06158 [0,1,0,0,0,0|2,1,0]=4 720 B10R1.20 CSc1c(cccn1)C#N TS09907 [0,1,0,0,0,0|2,0,1]=4 721 B10R1.20 CSc1c(cccn1)CCl TS50635 [0,1,0,0,0,0|2,0,0]=3 722 B10R1.20 CSc1ccccc1C#N TS40767 [0,1,0,0,0,0|1,0,1]=3 723 B10R1.20 CSc1ccccc1CN TS10344 [0,1,0,0,0,0|1,0,0]=2 724 B10R1.20 CSc1ccccc1CO TS41405 [0,1,0,0,0,0|1,0,0]=2 725 B10R1.20 c1cc(c(nc1)C#N)CBr TS18391 [0,1,0,0,0,0|3,0,0]=4 726 B10R1.20 c1cc(c(nc1)C#N)CO TS36822 [0,1,0,0,0,0|3,0,0]=4 727 B10R1.20 c1cc(c(nc1)CN)C=O TS06068 [0,1,0,0,0,0|2,1,0]=4 728 B10R1.20 c1cc(c(nc1)CO)CO TS06365 [0,1,0,0,0,0|2,1,0]=4 729 B10R1.20 c1ccc(c(c1)C#N)C#N TS05321 [0,1,0,0,0,0|2,0,1]=4 730 B10R1.20 c1ccc(c(c1)C=O)C#N TS55300 [0,1,0,0,0,0|1,1,1]=4 731 B10R1.20 c1ccc(c(c1)C=O)C=O TS55742 [0,1,0,0,0,0|1,1,1]=4 732 B10R1.20 c1ccc(c(c1)CBr)C#N TS59504 [0,1,0,0,0,0|2,0,0]=3 733 B10R1.20 c1ccc(c(c1)CBr)C=O TS54151 [0,1,0,0,0,0|1,1,0]=3 734 B10R1.20 c1ccc(c(c1)CBr)CBr TS46778 [0,1,0,0,0,0|2,0,0]=3 735 B10R1.20 c1ccc(c(c1)CCl)C#N TS41067 [0,1,0,0,0,0|2,0,0]=3 736 B10R1.20 c1ccc(c(c1)CCl)CCl TS13625 [0,1,0,0,0,0|2,0,0]=3 737 B10R1.20 c1ccc(c(c1)CN)C#N TS55302 [0,1,0,0,0,0|2,0,0]=3 738 B10R1.20 c1ccc(c(c1)CO)CO TS59881 [0,1,0,0,0,0|1,1,0]=3 739 B10R1.20 c1ccc(c(c1)CS)CS TS12901 [0,1,0,0,0,0|1,0,0]=2 740 B10R1.25 C#Cc1ccc(cc1F)Br TS18764 [0,1,0,0,0,0|1,0,2]=4 741 B10R1.25 C=Cc1ccc(cc1F)F TS06427 [0,1,0,0,0,0|1,0,2]=4 742 B10R1.25 CCc1c(cc(cn1)Br)N TS85926 [0,1,0,0,0,0|2,0,0]=3 743 B10R1.25 CCc1c(nc(cn1)C)C TS37031 [0,1,0,0,0,0|3,0,0]=4 744 B10R1.25 CCc1c[nH]c(=O)[nH]c1=O TS37351 [0,1,0,0,0,0|2,1,0]=4 745 B10R1.25 CCc1c[nH]c(=S)[nH]c1=O TS10704 [0,1,0,0,0,0|2,1,0]=4 746 B10R1.25 CCc1ccc([nH]c1=O)C TS37106 [0,1,0,0,0,0|1,1,0]=3 747 B10R1.25 CCc1ccc(cc1C)C TS36871 [0,1,0,0,0,0|1,0,0]=2 748 B10R1.25 CCc1ccc(cc1O)O TS06247 [0,1,0,0,0,0|0,1,0]=2 749 B10R1.25 CCc1ccc(nc1N)C TS06103 [0,1,0,0,0,0|2,0,0]=3 750 B10R1.25 CCc1cnc(cc1N)C TS03292 [0,1,0,0,0,0|2,0,0]=3 751 B10R1.25 CCn1ccc(cc1=O)Br TS92560 [0,1,0,0,0,0|1,1,0]=3 752 B10R1.25 CCn1ccc(cc1=O)N TS88737 [0,1,0,0,0,0|1,1,0]=3 753 B10R1.25 CNc1ccc(cc1F)F TS40063 [0,1,0,0,0,0|2,0,0]=3 754 B10R1.25 COc1c(cc(cn1)Br)Br TS85440 [0,1,0,0,0,0|3,0,0]=4 755 B10R1.25 COc1c(cc(cn1)Br)Cl TS23559 [0,1,0,0,0,0|3,0,0]=4 756 B10R1.25 COc1c(cc(cn1)Br)F TS60302 [0,1,0,0,0,0|3,0,0]=4 757 B10R1.25 COc1c(cc(cn1)Br)I TS61113 [0,1,0,0,0,0|3,0,0]=4 758 B10R1.25 COc1c(cc(cn1)Br)N TS86976 [0,1,0,0,0,0|3,0,0]=4 759 B10R1.25 COc1c(cc(cn1)Br)O TS86842 [0,1,0,0,0,0|2,1,0]=4 760 B10R1.25 COc1c(cc(cn1)Cl)Br TS55426 [0,1,0,0,0,0|3,0,0]=4 761 B10R1.25 COc1c(cc(cn1)Cl)F TS11466 [0,1,0,0,0,0|3,0,0]=4 762 B10R1.25 COc1c(cc(cn1)F)Br TS65083 [0,1,0,0,0,0|3,0,0]=4 763 B10R1.25 COc1c(cc(cn1)N)Br TS16776 [0,1,0,0,0,0|3,0,0]=4 764 B10R1.25 COc1c(cc(cn1)N)F TS02650 [0,1,0,0,0,0|3,0,0]=4 765 B10R1.25 COc1ccc(cc1Br)Br TS73450 [0,1,0,0,0,0|2,0,0]=3 766 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [0,1,0,0,0,0|2,0,0]=3 767 B10R1.25 COc1ccc(cc1Br)F TS55106 [0,1,0,0,0,0|2,0,0]=3 768 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [0,1,0,0,0,0|2,0,0]=3 769 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [0,1,0,0,0,0|2,0,0]=3 770 B10R1.25 COc1ccc(cc1Cl)F TS09271 [0,1,0,0,0,0|2,0,0]=3 771 B10R1.25 COc1ccc(cc1Cl)N TS10908 [0,1,0,0,0,0|2,0,0]=3 772 B10R1.25 COc1ccc(cc1F)Br TS60384 [0,1,0,0,0,0|2,0,0]=3 773 B10R1.25 COc1ccc(cc1F)Cl TS39482 [0,1,0,0,0,0|2,0,0]=3 774 B10R1.25 COc1ccc(cc1F)F TS09234 [0,1,0,0,0,0|2,0,0]=3 775 B10R1.25 COc1ccc(cc1F)N TS02745 [0,1,0,0,0,0|2,0,0]=3 776 B10R1.25 COc1ccc(cc1F)O TS02753 [0,1,0,0,0,0|2,0,0]=3 777 B10R1.25 COc1ccc(cc1F)S TS10975 [0,1,0,0,0,0|2,0,0]=3 778 B10R1.25 COc1ccc(cc1I)Cl TS39489 [0,1,0,0,0,0|2,0,0]=3 779 B10R1.25 COc1ccc(cc1I)N TS39440 [0,1,0,0,0,0|2,0,0]=3 780 B10R1.25 COc1ccc(cc1I)N TS54863 [0,1,0,0,0,0|2,0,0]=3 781 B10R1.25 COc1ccc(cc1N)Br TS38194 [0,1,0,0,0,0|2,0,0]=3 782 B10R1.25 COc1ccc(cc1N)Cl TS03051 [0,1,0,0,0,0|2,0,0]=3 783 B10R1.25 COc1ccc(cc1N)Cl TS10909 [0,1,0,0,0,0|2,0,0]=3 784 B10R1.25 COc1ccc(cc1N)Cl TS17765 [0,1,0,0,0,0|2,0,0]=3 785 B10R1.25 COc1ccc(cc1N)F TS07833 [0,1,0,0,0,0|2,0,0]=3 786 B10R1.25 COc1ccc(cc1N)I TS65363 [0,1,0,0,0,0|2,0,0]=3 787 B10R1.25 COc1ccc(cc1N)N TS37199 [0,1,0,0,0,0|2,0,0]=3 788 B10R1.25 COc1ccc(cc1N)N TS43949 [0,1,0,0,0,0|2,0,0]=3 789 B10R1.25 COc1ccc(cc1N)N TS56780 [0,1,0,0,0,0|2,0,0]=3 790 B10R1.25 COc1ccc(cc1O)Br TS85281 [0,1,0,0,0,0|1,1,0]=3 791 B10R1.25 COc1ccc(cc1O)F TS07835 [0,1,0,0,0,0|1,1,0]=3 792 B10R1.25 COc1ccc(cc1O)N TS37282 [0,1,0,0,0,0|1,1,0]=3 793 B10R1.25 COc1ccc(cc1O)O TS06433 [0,1,0,0,0,0|1,1,0]=3 794 B10R1.25 COc1ccc(cc1S)F TS10974 [0,1,0,0,0,0|1,0,0]=2 795 B10R1.25 COc1ccc(cn1=O)F TS40058 [0,1,0,0,0,0|2,1,0]=4 796 B10R1.25 COc1ccc(nc1Br)N TS60092 [0,1,0,0,0,0|3,0,0]=4 797 B10R1.25 COc1ccc(nc1Cl)N TS85122 [0,1,0,0,0,0|3,0,0]=4 798 B10R1.25 COc1ccc(nc1F)Br TS32806 [0,1,0,0,0,0|3,0,0]=4 799 B10R1.25 COc1cnc(cc1Cl)N TS86843 [0,1,0,0,0,0|3,0,0]=4 800 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [0,1,0,0,0,0|2,0,0]=3 801 B10R1.25 Cc1c(ccc(n1)F)CO TS06581 [0,1,0,0,0,0|3,0,0]=4 802 B10R1.25 Cc1c(ccc(n1)N)CN TS06202 [0,1,0,0,0,0|3,0,0]=4 803 B10R1.25 Cc1c(ccc(n1)N)OC TS37202 [0,1,0,0,0,0|3,0,0]=4 804 B10R1.25 Cc1cc(ccc1C#N)Br TS70961 [0,1,0,0,0,0|2,0,1]=4 805 B10R1.25 Cc1cc(ccc1C#N)Cl TS41072 [0,1,0,0,0,0|2,0,1]=4 806 B10R1.25 Cc1cc(ccc1C#N)F TS09703 [0,1,0,0,0,0|2,0,1]=4 807 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [0,1,0,0,0,0|2,0,1]=4 808 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [0,1,0,0,0,0|2,0,1]=4 809 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [0,1,0,0,0,0|2,0,1]=4 810 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [0,1,0,0,0,0|2,0,0]=3 811 B10R1.25 Cc1cc(ccc1CN)F TS37292 [0,1,0,0,0,0|2,0,0]=3 812 B10R1.25 Cc1cc(ccc1CO)F TS06460 [0,1,0,0,0,0|2,0,0]=3 813 B10R1.25 Cc1cc(ccc1NN)Cl TS51589 [0,1,0,0,0,0|3,0,0]=4 814 B10R1.25 Cc1cc(ccc1NN)F TS37376 [0,1,0,0,0,0|3,0,0]=4 815 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [0,1,0,0,0,0|2,0,0]=3 816 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [0,1,0,0,0,0|2,0,0]=3 817 B10R1.25 Cc1cc(ccc1OC)F TS06457 [0,1,0,0,0,0|2,0,0]=3 818 B10R1.25 Cc1cc(ccc1OC)I TS62512 [0,1,0,0,0,0|2,0,0]=3 819 B10R1.25 Cc1cc(ccc1OC)N TS71211 [0,1,0,0,0,0|2,0,0]=3 820 B10R1.25 Cc1cc(ccc1SC)O TS41411 [0,1,0,0,0,0|2,0,0]=3 821 B10R1.25 Cc1cc(ccc1[Mg]Br)F TS21539 [0,1,0,0,0,0|3,0,0]=4 822 B10R1.25 Cc1cc(ccc1[N+]#[C-])F TS05985 [0,1,0,0,0,0|2,0,1]=4 823 B10R1.25 Cc1cc(cnc1OC)Br TS85280 [0,1,0,0,0,0|3,0,0]=4 824 B10R1.25 Cc1cc(cnc1OC)F TS39347 [0,1,0,0,0,0|3,0,0]=4 825 B10R1.25 Cc1ccc(c(c1)Br)C#N TS60262 [0,1,0,0,0,0|2,0,1]=4 826 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [0,1,0,0,0,0|2,0,1]=4 827 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [0,1,0,0,0,0|2,0,0]=3 828 B10R1.25 Cc1ccc(c(c1)Br)[N+]#[C-] TS18164 [0,1,0,0,0,0|2,0,1]=4 829 B10R1.25 Cc1ccc(c(c1)C)C#N TS05671 [0,1,0,0,0,0|2,0,1]=4 830 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [0,1,0,0,0,0|1,0,2]=4 831 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [0,1,0,0,0,0|2,0,1]=4 832 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [0,1,0,0,0,0|2,0,0]=3 833 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [0,1,0,0,0,0|2,0,0]=3 834 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [0,1,0,0,0,0|2,0,0]=3 835 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [0,1,0,0,0,0|2,0,0]=3 836 B10R1.25 Cc1ccc(c(c1)C)NN TS00644 [0,1,0,0,0,0|3,0,0]=4 837 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [0,1,0,0,0,0|2,0,0]=3 838 B10R1.25 Cc1ccc(c(c1)Cl)C#N TS55233 [0,1,0,0,0,0|2,0,1]=4 839 B10R1.25 Cc1ccc(c(c1)Cl)NN TS08829 [0,1,0,0,0,0|3,0,0]=4 840 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [0,1,0,0,0,0|2,0,0]=3 841 B10R1.25 Cc1ccc(c(c1)F)C#N TS55342 [0,1,0,0,0,0|2,0,1]=4 842 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [0,1,0,0,0,0|2,0,1]=4 843 B10R1.25 Cc1ccc(c(c1)F)NN TS13943 [0,1,0,0,0,0|3,0,0]=4 844 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [0,1,0,0,0,0|2,0,0]=3 845 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [0,1,0,0,0,0|2,0,0]=3 846 B10R1.25 Cc1ccc(c(c1)N)C#N TS65364 [0,1,0,0,0,0|2,0,1]=4 847 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [0,1,0,0,0,0|2,0,0]=3 848 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [0,1,0,0,0,0|1,1,1]=4 849 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [0,1,0,0,0,0|1,1,1]=4 850 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [0,1,0,0,0,0|1,1,0]=3 851 B10R1.25 Cc1ccc(c(n1)Br)OC TS19318 [0,1,0,0,0,0|3,0,0]=4 852 B10R1.25 Cc1ccc(c(n1)C)CO TS06194 [0,1,0,0,0,0|3,0,0]=4 853 B10R1.25 [C-]#[N+]c1ccc(cc1Cl)Br TS49173 [0,1,0,0,0,0|2,0,1]=4 854 B10R1.25 [C-]#[N+]c1ccc(cc1F)Br TS18922 [0,1,0,0,0,0|2,0,1]=4 855 B10R1.25 c1c(c(cnc1Cl)CCl)Cl TS18346 [0,1,0,0,0,0|3,0,0]=4 856 B10R1.25 c1c(c(cnc1Cl)CO)Cl TS46363 [0,1,0,0,0,0|3,0,0]=4 857 B10R1.25 c1c(cnc(c1Cl)CO)Cl TS46364 [0,1,0,0,0,0|3,0,0]=4 858 B10R1.25 c1c(cnc(c1F)CN)Br TS89047 [0,1,0,0,0,0|3,0,0]=4 859 B10R1.25 c1c(cnc(c1F)CO)Br TS91722 [0,1,0,0,0,0|3,0,0]=4 860 B10R1.25 c1c(cnc(c1N)CO)Br TS92343 [0,1,0,0,0,0|3,0,0]=4 861 B10R1.25 c1cc(c(cc1Br)Cl)C#N TS60048 [0,1,0,0,0,0|2,0,1]=4 862 B10R1.25 c1cc(c(cc1Br)Cl)C=O TS00880 [0,1,0,0,0,0|2,0,1]=4 863 B10R1.25 c1cc(c(cc1Br)F)C=O TS16938 [0,1,0,0,0,0|2,0,1]=4 864 B10R1.25 c1cc(c(cc1Br)F)CCl TS50366 [0,1,0,0,0,0|2,0,0]=3 865 B10R1.25 c1cc(c(cc1Br)F)CN TS00009 [0,1,0,0,0,0|2,0,0]=3 866 B10R1.25 c1cc(c(cc1Br)F)CN TS26597 [0,1,0,0,0,0|2,0,0]=3 867 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [0,1,0,0,0,0|2,0,0]=3 868 B10R1.25 c1cc(c(cc1Br)F)CS TS49908 [0,1,0,0,0,0|2,0,0]=3 869 B10R1.25 c1cc(c(cc1Br)O)C#N TS70956 [0,1,0,0,0,0|1,1,1]=4 870 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [0,1,0,0,0,0|1,1,1]=4 871 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [0,1,0,0,0,0|1,1,0]=3 872 B10R1.25 c1cc(c(cc1Cl)Br)C#N TS49172 [0,1,0,0,0,0|2,0,1]=4 873 B10R1.25 c1cc(c(cc1Cl)Cl)C#N TS13096 [0,1,0,0,0,0|2,0,1]=4 874 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [0,1,0,0,0,0|2,0,1]=4 875 B10R1.25 c1cc(c(cc1Cl)Cl)CCl TS52075 [0,1,0,0,0,0|2,0,0]=3 876 B10R1.25 c1cc(c(cc1Cl)Cl)CN TS46039 [0,1,0,0,0,0|2,0,0]=3 877 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [0,1,0,0,0,0|2,0,0]=3 878 B10R1.25 c1cc(c(cc1Cl)Cl)CS TS51591 [0,1,0,0,0,0|2,0,0]=3 879 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS45715 [0,1,0,0,0,0|3,0,0]=4 880 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS68438 [0,1,0,0,0,0|3,0,0]=4 881 B10R1.25 c1cc(c(cc1Cl)F)C=O TS11081 [0,1,0,0,0,0|2,0,1]=4 882 B10R1.25 c1cc(c(cc1Cl)F)CBr TS39484 [0,1,0,0,0,0|2,0,0]=3 883 B10R1.25 c1cc(c(cc1Cl)F)CCl TS47666 [0,1,0,0,0,0|2,0,0]=3 884 B10R1.25 c1cc(c(cc1Cl)F)CN TS18170 [0,1,0,0,0,0|2,0,0]=3 885 B10R1.25 c1cc(c(cc1Cl)F)CN TS39485 [0,1,0,0,0,0|2,0,0]=3 886 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [0,1,0,0,0,0|2,0,0]=3 887 B10R1.25 c1cc(c(cc1Cl)F)NN TS39487 [0,1,0,0,0,0|3,0,0]=4 888 B10R1.25 c1cc(c(cc1Cl)F)NN TS42240 [0,1,0,0,0,0|3,0,0]=4 889 B10R1.25 c1cc(c(cc1Cl)N)C#N TS41211 [0,1,0,0,0,0|2,0,1]=4 890 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [0,1,0,0,0,0|1,1,1]=4 891 B10R1.25 c1cc(c(cc1F)Br)C#N TS08317 [0,1,0,0,0,0|2,0,1]=4 892 B10R1.25 c1cc(c(cc1F)Br)C=O TS08316 [0,1,0,0,0,0|2,0,1]=4 893 B10R1.25 c1cc(c(cc1F)Br)CBr TS08318 [0,1,0,0,0,0|2,0,0]=3 894 B10R1.25 c1cc(c(cc1F)Br)CN TS26596 [0,1,0,0,0,0|2,0,0]=3 895 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [0,1,0,0,0,0|2,0,0]=3 896 B10R1.25 c1cc(c(cc1F)Cl)C#N TS85439 [0,1,0,0,0,0|2,0,1]=4 897 B10R1.25 c1cc(c(cc1F)Cl)C=O TS00884 [0,1,0,0,0,0|2,0,1]=4 898 B10R1.25 c1cc(c(cc1F)Cl)CBr TS09272 [0,1,0,0,0,0|2,0,0]=3 899 B10R1.25 c1cc(c(cc1F)Cl)CCl TS47667 [0,1,0,0,0,0|2,0,0]=3 900 B10R1.25 c1cc(c(cc1F)Cl)CN TS09273 [0,1,0,0,0,0|2,0,0]=3 901 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [0,1,0,0,0,0|2,0,0]=3 902 B10R1.25 c1cc(c(cc1F)Cl)NN TS18403 [0,1,0,0,0,0|3,0,0]=4 903 B10R1.25 c1cc(c(cc1F)F)C#N TS00631 [0,1,0,0,0,0|2,0,1]=4 904 B10R1.25 c1cc(c(cc1F)F)C=O TS00628 [0,1,0,0,0,0|2,0,1]=4 905 B10R1.25 c1cc(c(cc1F)F)CCl TS09236 [0,1,0,0,0,0|2,0,0]=3 906 B10R1.25 c1cc(c(cc1F)F)CN TS00632 [0,1,0,0,0,0|2,0,0]=3 907 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [0,1,0,0,0,0|2,0,0]=3 908 B10R1.25 c1cc(c(cc1F)F)NN TS47218 [0,1,0,0,0,0|3,0,0]=4 909 B10R1.25 c1cc(c(cc1F)F)NN TS47219 [0,1,0,0,0,0|3,0,0]=4 910 B10R1.25 c1cc(c(cc1F)I)CBr TS76743 [0,1,0,0,0,0|2,0,0]=3 911 B10R1.25 c1cc(c(cc1F)N)C#N TS00752 [0,1,0,0,0,0|2,0,1]=4 912 B10R1.25 c1cc(c(cc1F)N)CBr TS19670 [0,1,0,0,0,0|2,0,0]=3 913 B10R1.25 c1cc(c(cc1F)N)CCl TS11188 [0,1,0,0,0,0|2,0,0]=3 914 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [0,1,0,0,0,0|1,1,1]=4 915 B10R1.25 c1cc(c(cc1I)Br)C=O TS08969 [0,1,0,0,0,0|2,0,1]=4 916 B10R1.25 c1cc(c(cc1I)F)C#N TS09295 [0,1,0,0,0,0|2,0,1]=4 917 B10R1.25 c1cc(c(cc1I)F)C=O TS08418 [0,1,0,0,0,0|2,0,1]=4 918 B10R1.25 c1cc(c(cc1N)Cl)C#N TS39462 [0,1,0,0,0,0|2,0,1]=4 919 B10R1.25 c1cc(c(cc1N)F)C#N TS71089 [0,1,0,0,0,0|2,0,1]=4 920 B10R1.25 c1cc(c(cc1O)Cl)C#N TS09274 [0,1,0,0,0,0|2,0,1]=4 921 B10R1.25 c1cc(c(cc1O)Cl)C=O TS10791 [0,1,0,0,0,0|2,0,1]=4 922 B10R1.25 c1cc(c(cc1O)F)C#N TS09292 [0,1,0,0,0,0|2,0,1]=4 923 B10R1.25 c1cc(c(cc1O)F)C=O TS08415 [0,1,0,0,0,0|2,0,1]=4 924 B10R1.25 c1cc(c(cc1O)O)C#N TS07698 [0,1,0,0,0,0|1,1,1]=4 925 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [0,1,0,0,0,0|1,1,1]=4 926 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [0,1,0,0,0,0|1,1,0]=3 927 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [0,1,0,0,0,0|2,1,0]=4 928 B10R1.25 c1cc(nc(c1CCl)Cl)Cl TS18344 [0,1,0,0,0,0|3,0,0]=4 929 B10R1.25 c1cc(nc(c1CO)Cl)Cl TS91241 [0,1,0,0,0,0|3,0,0]=4 930 B10R1.30 C=Cc1cc(ccc1Cl)Cl TS45578 [0,1,0,0,0,0|1,0,2]=4 931 B10R1.30 C=Cc1cc(ccc1F)F TS06428 [0,1,0,0,0,0|1,0,2]=4 932 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [0,1,0,0,0,0|1,1,0]=3 933 B10R1.30 CCc1cc(ccc1C)C TS05930 [0,1,0,0,0,0|1,0,0]=2 934 B10R1.30 CCc1cc(ccc1Cl)O TS41712 [0,1,0,0,0,0|1,0,0]=2 935 B10R1.30 CCc1cc(ccc1I)Br TS76460 [0,1,0,0,0,0|1,0,0]=2 936 B10R1.30 CCc1cc(ccc1N)Br TS25964 [0,1,0,0,0,0|1,0,0]=2 937 B10R1.30 CCc1cc(ccc1N)Br TS37843 [0,1,0,0,0,0|1,0,0]=2 938 B10R1.30 CCc1cc(ccc1N)I TS27559 [0,1,0,0,0,0|1,0,0]=2 939 B10R1.30 CCc1cc(ccc1O)F TS37365 [0,1,0,0,0,0|0,1,0]=2 940 B10R1.30 CCc1cc(ccc1O)O TS06259 [0,1,0,0,0,0|0,1,0]=2 941 B10R1.30 CCc1cc(nnc1Cl)Cl TS13966 [0,1,0,0,0,0|3,0,0]=4 942 B10R1.30 CNc1cc(cnc1Cl)Br TS08912 [0,1,0,0,0,0|3,0,0]=4 943 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [0,1,0,0,0,0|1,1,0]=3 944 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [0,1,0,0,0,0|2,0,0]=3 945 B10R1.30 COc1cc(ccc1Br)F TS65379 [0,1,0,0,0,0|2,0,0]=3 946 B10R1.30 COc1cc(ccc1Br)I TS01774 [0,1,0,0,0,0|2,0,0]=3 947 B10R1.30 COc1cc(ccc1Br)N TS00018 [0,1,0,0,0,0|2,0,0]=3 948 B10R1.30 COc1cc(ccc1Br)O TS00019 [0,1,0,0,0,0|2,0,0]=3 949 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [0,1,0,0,0,0|2,0,0]=3 950 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [0,1,0,0,0,0|2,0,0]=3 951 B10R1.30 COc1cc(ccc1Cl)F TS09281 [0,1,0,0,0,0|2,0,0]=3 952 B10R1.30 COc1cc(ccc1Cl)N TS10907 [0,1,0,0,0,0|2,0,0]=3 953 B10R1.30 COc1cc(ccc1F)Br TS19895 [0,1,0,0,0,0|2,0,0]=3 954 B10R1.30 COc1cc(ccc1F)F TS65344 [0,1,0,0,0,0|2,0,0]=3 955 B10R1.30 COc1cc(ccc1N)Br TS70959 [0,1,0,0,0,0|2,0,0]=3 956 B10R1.30 COc1cc(ccc1N)F TS93806 [0,1,0,0,0,0|2,0,0]=3 957 B10R1.30 COc1cc(ccc1N)N TS56779 [0,1,0,0,0,0|2,0,0]=3 958 B10R1.30 COc1cc(ccc1O)Br TS29434 [0,1,0,0,0,0|1,1,0]=3 959 B10R1.30 COc1cc(ccc1O)Cl TS11084 [0,1,0,0,0,0|1,1,0]=3 960 B10R1.30 COc1cc(ccc1O)F TS37549 [0,1,0,0,0,0|1,1,0]=3 961 B10R1.30 COc1cc(ccc1O)O TS37335 [0,1,0,0,0,0|1,1,0]=3 962 B10R1.30 COc1cc(cnc1Br)Cl TS23560 [0,1,0,0,0,0|3,0,0]=4 963 B10R1.30 COc1cc(cnc1N)Br TS38378 [0,1,0,0,0,0|3,0,0]=4 964 B10R1.30 Cc1c(cc(cn1)Br)OC TS19314 [0,1,0,0,0,0|3,0,0]=4 965 B10R1.30 Cc1ccc(c(c1)C#C)C TS36513 [0,1,0,0,0,0|1,0,2]=4 966 B10R1.30 Cc1ccc(c(c1)C#N)C TS02140 [0,1,0,0,0,0|2,0,1]=4 967 B10R1.30 Cc1ccc(c(c1)C#N)Cl TS41071 [0,1,0,0,0,0|2,0,1]=4 968 B10R1.30 Cc1ccc(c(c1)C#N)F TS01008 [0,1,0,0,0,0|2,0,1]=4 969 B10R1.30 Cc1ccc(c(c1)C#N)N TS47441 [0,1,0,0,0,0|2,0,1]=4 970 B10R1.30 Cc1ccc(c(c1)C=C)C TS36708 [0,1,0,0,0,0|1,0,2]=4 971 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [0,1,0,0,0,0|2,0,1]=4 972 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [0,1,0,0,0,0|2,0,1]=4 973 B10R1.30 Cc1ccc(c(c1)C=O)F TS01006 [0,1,0,0,0,0|2,0,1]=4 974 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [0,1,0,0,0,0|1,1,1]=4 975 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [0,1,0,0,0,0|2,0,0]=3 976 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [0,1,0,0,0,0|2,0,0]=3 977 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [0,1,0,0,0,0|2,0,0]=3 978 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [0,1,0,0,0,0|2,0,0]=3 979 B10R1.30 Cc1ccc(c(c1)NN)C TS47277 [0,1,0,0,0,0|3,0,0]=4 980 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [0,1,0,0,0,0|2,0,0]=3 981 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [0,1,0,0,0,0|2,0,0]=3 982 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [0,1,0,0,0,0|2,0,0]=3 983 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [0,1,0,0,0,0|1,1,0]=3 984 B10R1.30 Cc1ccc(c(n1)CO)O TS06364 [0,1,0,0,0,0|2,1,0]=4 985 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [0,1,0,0,0,0|3,0,0]=4 986 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [0,1,0,0,0,0|3,0,0]=4 987 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [0,1,0,0,0,0|3,0,0]=4 988 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [0,1,0,0,0,0|3,0,0]=4 989 B10R1.30 Cc1ccc(cc1C#N)Br TS09796 [0,1,0,0,0,0|2,0,1]=4 990 B10R1.30 Cc1ccc(cc1C#N)Cl TS71505 [0,1,0,0,0,0|2,0,1]=4 991 B10R1.30 Cc1ccc(cc1C#N)F TS65162 [0,1,0,0,0,0|2,0,1]=4 992 B10R1.30 Cc1ccc(cc1C#N)N TS36681 [0,1,0,0,0,0|2,0,1]=4 993 B10R1.30 Cc1ccc(cc1C=O)Br TS09794 [0,1,0,0,0,0|2,0,1]=4 994 B10R1.30 Cc1ccc(cc1C=O)F TS71547 [0,1,0,0,0,0|2,0,1]=4 995 B10R1.30 Cc1ccc(cc1CBr)F TS07836 [0,1,0,0,0,0|2,0,0]=3 996 B10R1.30 Cc1ccc(cc1CCl)F TS07837 [0,1,0,0,0,0|2,0,0]=3 997 B10R1.30 Cc1ccc(cc1CN)F TS37290 [0,1,0,0,0,0|2,0,0]=3 998 B10R1.30 Cc1ccc(cc1CO)F TS37367 [0,1,0,0,0,0|2,0,0]=3 999 B10R1.30 Cc1ccc(cc1NN)Br TS56990 [0,1,0,0,0,0|3,0,0]=4 1000 B10R1.30 Cc1ccc(cc1NN)F TS03301 [0,1,0,0,0,0|3,0,0]=4 1001 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [0,1,0,0,0,0|2,0,0]=3 1002 B10R1.30 Cc1ccc(cc1OC)F TS06455 [0,1,0,0,0,0|2,0,0]=3 1003 B10R1.30 Cc1ccc(cc1OC)N TS59695 [0,1,0,0,0,0|2,0,0]=3 1004 B10R1.30 c1c(c(cnc1Cl)F)CO TS07717 [0,1,0,0,0,0|3,0,0]=4 1005 B10R1.30 c1c(cnc(c1CN)F)Br TS87183 [0,1,0,0,0,0|3,0,0]=4 1006 B10R1.30 c1c(cnc(c1CO)Cl)Br TS23561 [0,1,0,0,0,0|3,0,0]=4 1007 B10R1.30 c1c(cnc(c1CO)Cl)Cl TS59926 [0,1,0,0,0,0|3,0,0]=4 1008 B10R1.30 c1c(cnc(c1CO)Cl)F TS07715 [0,1,0,0,0,0|3,0,0]=4 1009 B10R1.30 c1c(cnc(c1CO)F)Br TS91718 [0,1,0,0,0,0|3,0,0]=4 1010 B10R1.30 c1c(cnc(c1CO)F)Cl TS09834 [0,1,0,0,0,0|3,0,0]=4 1011 B10R1.30 c1c(cnc(c1CO)N)Br TS00767 [0,1,0,0,0,0|3,0,0]=4 1012 B10R1.30 c1c(cnc(c1CO)N)I TS62785 [0,1,0,0,0,0|3,0,0]=4 1013 B10R1.30 c1cc(c(cc1Br)C#N)Cl TS16983 [0,1,0,0,0,0|2,0,1]=4 1014 B10R1.30 c1cc(c(cc1Br)C#N)F TS71421 [0,1,0,0,0,0|2,0,1]=4 1015 B10R1.30 c1cc(c(cc1Br)C#N)I TS39532 [0,1,0,0,0,0|2,0,1]=4 1016 B10R1.30 c1cc(c(cc1Br)C#N)N TS47427 [0,1,0,0,0,0|2,0,1]=4 1017 B10R1.30 c1cc(c(cc1Br)C#N)O TS71431 [0,1,0,0,0,0|1,1,1]=4 1018 B10R1.30 c1cc(c(cc1Br)C=O)Br TS47247 [0,1,0,0,0,0|2,0,1]=4 1019 B10R1.30 c1cc(c(cc1Br)C=O)Cl TS16982 [0,1,0,0,0,0|2,0,1]=4 1020 B10R1.30 c1cc(c(cc1Br)C=O)F TS71419 [0,1,0,0,0,0|2,0,1]=4 1021 B10R1.30 c1cc(c(cc1Br)C=O)I TS09783 [0,1,0,0,0,0|2,0,1]=4 1022 B10R1.30 c1cc(c(cc1Br)C=O)O TS09820 [0,1,0,0,0,0|1,1,1]=4 1023 B10R1.30 c1cc(c(cc1Br)CBr)F TS30472 [0,1,0,0,0,0|2,0,0]=3 1024 B10R1.30 c1cc(c(cc1Br)CN)F TS26595 [0,1,0,0,0,0|2,0,0]=3 1025 B10R1.30 c1cc(c(cc1Br)CO)Cl TS39528 [0,1,0,0,0,0|2,0,0]=3 1026 B10R1.30 c1cc(c(cc1Br)CO)F TS16783 [0,1,0,0,0,0|2,0,0]=3 1027 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [0,1,0,0,0,0|1,1,0]=3 1028 B10R1.30 c1cc(c(cc1Cl)C#N)Br TS55119 [0,1,0,0,0,0|2,0,1]=4 1029 B10R1.30 c1cc(c(cc1Cl)C#N)Cl TS13098 [0,1,0,0,0,0|2,0,1]=4 1030 B10R1.30 c1cc(c(cc1Cl)C#N)F TS09841 [0,1,0,0,0,0|2,0,1]=4 1031 B10R1.30 c1cc(c(cc1Cl)C#N)N TS41212 [0,1,0,0,0,0|2,0,1]=4 1032 B10R1.30 c1cc(c(cc1Cl)C#N)O TS71492 [0,1,0,0,0,0|1,1,1]=4 1033 B10R1.30 c1cc(c(cc1Cl)C=O)Br TS09831 [0,1,0,0,0,0|2,0,1]=4 1034 B10R1.30 c1cc(c(cc1Cl)C=O)Cl TS47258 [0,1,0,0,0,0|2,0,1]=4 1035 B10R1.30 c1cc(c(cc1Cl)C=O)F TS09839 [0,1,0,0,0,0|2,0,1]=4 1036 B10R1.30 c1cc(c(cc1Cl)C=O)N TS00774 [0,1,0,0,0,0|2,0,1]=4 1037 B10R1.30 c1cc(c(cc1Cl)C=O)O TS10788 [0,1,0,0,0,0|1,1,1]=4 1038 B10R1.30 c1cc(c(cc1Cl)CBr)Cl TS26440 [0,1,0,0,0,0|2,0,0]=3 1039 B10R1.30 c1cc(c(cc1Cl)CBr)F TS09843 [0,1,0,0,0,0|2,0,0]=3 1040 B10R1.30 c1cc(c(cc1Cl)CCl)Cl TS52072 [0,1,0,0,0,0|2,0,0]=3 1041 B10R1.30 c1cc(c(cc1Cl)CN)Cl TS46041 [0,1,0,0,0,0|2,0,0]=3 1042 B10R1.30 c1cc(c(cc1Cl)CN)F TS09842 [0,1,0,0,0,0|2,0,0]=3 1043 B10R1.30 c1cc(c(cc1Cl)CN)N TS41734 [0,1,0,0,0,0|2,0,0]=3 1044 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [0,1,0,0,0,0|1,1,0]=3 1045 B10R1.30 c1cc(c(cc1Cl)CO)Cl TS13961 [0,1,0,0,0,0|2,0,0]=3 1046 B10R1.30 c1cc(c(cc1Cl)CO)F TS42239 [0,1,0,0,0,0|2,0,0]=3 1047 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [0,1,0,0,0,0|1,1,0]=3 1048 B10R1.30 c1cc(c(cc1Cl)NN)Cl TS21554 [0,1,0,0,0,0|3,0,0]=4 1049 B10R1.30 c1cc(c(cc1Cl)NN)F TS07822 [0,1,0,0,0,0|3,0,0]=4 1050 B10R1.30 c1cc(c(cc1F)C#N)Br TS18923 [0,1,0,0,0,0|2,0,1]=4 1051 B10R1.30 c1cc(c(cc1F)C#N)Cl TS22995 [0,1,0,0,0,0|2,0,1]=4 1052 B10R1.30 c1cc(c(cc1F)C#N)F TS00677 [0,1,0,0,0,0|2,0,1]=4 1053 B10R1.30 c1cc(c(cc1F)C#N)I TS62379 [0,1,0,0,0,0|2,0,1]=4 1054 B10R1.30 c1cc(c(cc1F)C#N)N TS00787 [0,1,0,0,0,0|2,0,1]=4 1055 B10R1.30 c1cc(c(cc1F)C=O)Br TS08340 [0,1,0,0,0,0|2,0,1]=4 1056 B10R1.30 c1cc(c(cc1F)C=O)Cl TS55244 [0,1,0,0,0,0|2,0,1]=4 1057 B10R1.30 c1cc(c(cc1F)C=O)F TS00673 [0,1,0,0,0,0|2,0,1]=4 1058 B10R1.30 c1cc(c(cc1F)C=O)I TS01072 [0,1,0,0,0,0|2,0,1]=4 1059 B10R1.30 c1cc(c(cc1F)C=O)O TS71536 [0,1,0,0,0,0|1,1,1]=4 1060 B10R1.30 c1cc(c(cc1F)CBr)Br TS65380 [0,1,0,0,0,0|2,0,0]=3 1061 B10R1.30 c1cc(c(cc1F)CBr)Cl TS50367 [0,1,0,0,0,0|2,0,0]=3 1062 B10R1.30 c1cc(c(cc1F)CCl)Br TS65381 [0,1,0,0,0,0|2,0,0]=3 1063 B10R1.30 c1cc(c(cc1F)CN)Br TS65382 [0,1,0,0,0,0|2,0,0]=3 1064 B10R1.30 c1cc(c(cc1F)CN)Cl TS09283 [0,1,0,0,0,0|2,0,0]=3 1065 B10R1.30 c1cc(c(cc1F)CN)F TS65347 [0,1,0,0,0,0|2,0,0]=3 1066 B10R1.30 c1cc(c(cc1F)CN)N TS37378 [0,1,0,0,0,0|2,0,0]=3 1067 B10R1.30 c1cc(c(cc1F)CO)Br TS65410 [0,1,0,0,0,0|2,0,0]=3 1068 B10R1.30 c1cc(c(cc1F)CO)Cl TS60277 [0,1,0,0,0,0|2,0,0]=3 1069 B10R1.30 c1cc(c(cc1F)CO)F TS65346 [0,1,0,0,0,0|2,0,0]=3 1070 B10R1.30 c1cc(c(cc1F)CO)N TS06576 [0,1,0,0,0,0|2,0,0]=3 1071 B10R1.30 c1cc(c(cc1F)C[Zn+])F TS33416 [0,1,0,0,0,0|2,0,0]=3 1072 B10R1.30 c1cc(c(cc1I)C#N)F TS01002 [0,1,0,0,0,0|2,0,1]=4 1073 B10R1.30 c1cc(c(cc1I)C=O)F TS62782 [0,1,0,0,0,0|2,0,1]=4 1074 B10R1.30 c1cc(c(cc1I)C=O)O TS01049 [0,1,0,0,0,0|1,1,1]=4 1075 B10R1.30 c1cc(c(cc1N)C#N)Br TS71353 [0,1,0,0,0,0|2,0,1]=4 1076 B10R1.30 c1cc(c(cc1N)C#N)Cl TS41208 [0,1,0,0,0,0|2,0,1]=4 1077 B10R1.30 c1cc(c(cc1N)C#N)F TS71360 [0,1,0,0,0,0|2,0,1]=4 1078 B10R1.30 c1cc(c(cc1N)C#N)N TS36766 [0,1,0,0,0,0|2,0,1]=4 1079 B10R1.30 c1cc(c(cc1N)C#N)O TS36814 [0,1,0,0,0,0|1,1,1]=4 1080 B10R1.30 c1cc(c(cc1N)CN)F TS37377 [0,1,0,0,0,0|2,0,0]=3 1081 B10R1.30 c1cc(c(cc1N)CN)O TS43947 [0,1,0,0,0,0|1,1,0]=3 1082 B10R1.30 c1cc(c(cc1O)C#N)F TS39661 [0,1,0,0,0,0|2,0,1]=4 1083 B10R1.30 c1cc(c(cc1O)C=O)Br TS08344 [0,1,0,0,0,0|2,0,1]=4 1084 B10R1.30 c1cc(c(cc1O)C=O)F TS00999 [0,1,0,0,0,0|2,0,1]=4 1085 B10R1.30 c1cc(c(cc1O)C=O)O TS47262 [0,1,0,0,0,0|1,1,1]=4 1086 B10R1.30 c1cc(nc(c1F)CO)Cl TS85118 [0,1,0,0,0,0|3,0,0]=4 1087 B10R1.61 B(c1ccccc1Br)(O)O TS00858 [0,1,0,0,0,0|3,0,0]=4 1088 B10R1.61 B(c1ccccc1C)(O)O TS02443 [0,1,0,0,0,0|3,0,0]=4 1089 B10R1.61 B(c1ccccc1Cl)(O)O TS00951 [0,1,0,0,0,0|3,0,0]=4 1090 B10R1.61 B(c1ccccc1F)(O)O TS37322 [0,1,0,0,0,0|3,0,0]=4 1091 B10R1.61 B(c1ccccc1I)(O)O TS27680 [0,1,0,0,0,0|3,0,0]=4 1092 B10R1.61 B(c1ccccc1N)(O)O TS45687 [0,1,0,0,0,0|3,0,0]=4 1093 B10R1.61 B(c1ccccc1N)(O)O TS94617 [0,1,0,0,0,0|3,0,0]=4 1094 B10R1.61 B(c1ccccc1O)(O)O TS55396 [0,1,0,0,0,0|2,1,0]=4 1095 B10R1.61 B(c1ccccc1S)(O)O TS94336 [0,1,0,0,0,0|2,0,0]=3 1096 B10R1.61 CC(=C)c1ccccc1N TS36780 [0,1,0,0,0,0|1,0,1]=3 1097 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [0,1,0,0,0,0|2,0,1]=4 1098 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [0,1,0,0,0,0|2,0,1]=4 1099 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [0,1,0,0,0,0|2,0,1]=4 1100 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [0,1,0,0,0,0|1,1,1]=4 1101 B10R1.61 CC(=O)c1ccccc1Br TS54149 [0,1,0,0,0,0|1,0,1]=3 1102 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [0,1,0,0,0,0|1,0,1]=3 1103 B10R1.61 CC(=O)c1ccccc1F TS37171 [0,1,0,0,0,0|1,0,1]=3 1104 B10R1.61 CC(=O)c1ccccc1I TS62238 [0,1,0,0,0,0|1,0,1]=3 1105 B10R1.61 CC(=O)c1ccccc1O TS01063 [0,1,0,0,0,0|0,1,1]=3 1106 B10R1.61 CC(=O)c1cccnc1Br TS18940 [0,1,0,0,0,0|2,0,1]=4 1107 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [0,1,0,0,0,0|2,0,1]=4 1108 B10R1.61 CC(=O)c1cccnc1F TS02616 [0,1,0,0,0,0|2,0,1]=4 1109 B10R1.61 CC(=O)c1cccnc1N TS08276 [0,1,0,0,0,0|2,0,1]=4 1110 B10R1.61 CC(=O)c1ccncc1Br TS18937 [0,1,0,0,0,0|2,0,1]=4 1111 B10R1.61 CC(=O)c1ccncc1Br TS76034 [0,1,0,0,0,0|2,0,1]=4 1112 B10R1.61 CC(=O)c1ccncc1F TS08156 [0,1,0,0,0,0|2,0,1]=4 1113 B10R1.61 CC(=O)c1ccncc1N TS06058 [0,1,0,0,0,0|2,0,1]=4 1114 B10R1.61 CC(=O)c1cnccc1F TS37273 [0,1,0,0,0,0|2,0,1]=4 1115 B10R1.61 CC(C)c1ccccc1Br TS46918 [0,1,0,0,0,0|1,0,0]=2 1116 B10R1.61 CC(C)c1ccccc1F TS06286 [0,1,0,0,0,0|1,0,0]=2 1117 B10R1.61 CC(C)c1ccccc1I TS27403 [0,1,0,0,0,0|1,0,0]=2 1118 B10R1.61 CC(C)c1ccccc1N TS06016 [0,1,0,0,0,0|1,0,0]=2 1119 B10R1.61 CC(C)c1ccccc1O TS06094 [0,1,0,0,0,0|0,1,0]=2 1120 B10R1.61 CC(C)c1ccccc1S TS41199 [0,1,0,0,0,0|0,0,0]=1 1121 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [0,1,0,0,0,0|1,0,0]=2 1122 B10R1.61 CC(c1c(cccn1)F)O TS06577 [0,1,0,0,0,0|2,0,0]=3 1123 B10R1.61 CC(c1ccccc1Br)O TS38045 [0,1,0,0,0,0|1,0,0]=2 1124 B10R1.61 CC(c1ccccc1Cl)N TS10635 [0,1,0,0,0,0|1,0,0]=2 1125 B10R1.61 CC(c1ccccc1Cl)O TS41730 [0,1,0,0,0,0|1,0,0]=2 1126 B10R1.61 CC(c1ccccc1F)N TS37297 [0,1,0,0,0,0|1,0,0]=2 1127 B10R1.61 CC(c1ccccc1F)O TS08150 [0,1,0,0,0,0|1,0,0]=2 1128 B10R1.61 CC(c1cccnc1Br)N TS19152 [0,1,0,0,0,0|2,0,0]=3 1129 B10R1.61 CC(c1cccnc1N)O TS37203 [0,1,0,0,0,0|2,0,0]=3 1130 B10R1.61 CN(C)c1ccccc1Br TS37850 [0,1,0,0,0,0|2,0,0]=3 1131 B10R1.61 CN(C)c1ccccc1Cl TS10629 [0,1,0,0,0,0|2,0,0]=3 1132 B10R1.61 CN(C)c1ccccc1F TS37299 [0,1,0,0,0,0|2,0,0]=3 1133 B10R1.61 CN(C)c1ccncc1Br TS19155 [0,1,0,0,0,0|3,0,0]=4 1134 B10R1.61 CS(=O)c1ccccc1O TS41630 [0,1,0,0,0,0|1,1,0]=3 1135 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [0,1,0,0,0,0|1,0,0]=2 1136 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [0,1,0,0,0,0|1,0,0]=2 1137 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [0,1,0,0,0,0|1,0,0]=2 1138 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [0,1,0,0,0,0|1,0,0]=2 1139 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [0,1,0,0,0,0|1,0,0]=2 1140 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [0,1,0,0,0,0|1,0,0]=2 1141 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [0,1,0,0,0,0|1,0,0]=2 1142 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [0,1,0,0,0,0|1,0,0]=2 1143 B10R1.61 Cc1ccccc1C(=C)C TS05768 [0,1,0,0,0,0|1,0,1]=3 1144 B10R1.61 Cc1ccccc1C(=N)N TS12937 [0,1,0,0,0,0|2,0,1]=4 1145 B10R1.61 Cc1ccccc1C(=O)C TS36852 [0,1,0,0,0,0|1,0,1]=3 1146 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [0,1,0,0,0,0|2,0,1]=4 1147 B10R1.61 Cc1ccccc1C(=O)N TS36917 [0,1,0,0,0,0|2,0,1]=4 1148 B10R1.61 Cc1ccccc1C(=O)O TS01622 [0,1,0,0,0,0|2,0,1]=4 1149 B10R1.61 Cc1ccccc1C(=S)N TS41052 [0,1,0,0,0,0|2,0,1]=4 1150 B10R1.61 Cc1ccccc1C(C)N TS36951 [0,1,0,0,0,0|1,0,0]=2 1151 B10R1.61 Cc1ccccc1C(C)O TS37021 [0,1,0,0,0,0|1,0,0]=2 1152 B10R1.61 Cc1ccccc1N(C)C TS06004 [0,1,0,0,0,0|2,0,0]=3 1153 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [0,1,0,0,0,0|1,0,0]=2 1154 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [0,1,0,0,0,0|1,0,0]=2 1155 B10R1.61 Cc1ccccc1[N+](=O)[O-] TS37088 [0,1,0,0,0,0|3,0,0]=4 1156 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [0,1,0,0,0,0|2,0,1]=4 1157 B10R1.61 c1cc(c(nc1)S)C(=O)O TS41510 [0,1,0,0,0,0|2,0,1]=4 1158 B10R1.61 c1cc(c(nc1)S)[N+](=O)[O-] TS02857 [0,1,0,0,0,0|3,0,0]=4 1159 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [0,1,0,0,0,0|2,0,1]=4 1160 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [0,1,0,0,0,0|2,0,1]=4 1161 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [0,1,0,0,0,0|2,0,1]=4 1162 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [0,1,0,0,0,0|2,0,1]=4 1163 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [0,1,0,0,0,0|2,0,1]=4 1164 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [0,1,0,0,0,0|2,0,1]=4 1165 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [0,1,0,0,0,0|2,0,1]=4 1166 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [0,1,0,0,0,0|2,0,1]=4 1167 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [0,1,0,0,0,0|2,0,1]=4 1168 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [0,1,0,0,0,0|2,0,1]=4 1169 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [0,1,0,0,0,0|1,1,1]=4 1170 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [0,1,0,0,0,0|2,0,1]=4 1171 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [0,1,0,0,0,0|2,0,1]=4 1172 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [0,1,0,0,0,0|2,0,1]=4 1173 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [0,1,0,0,0,0|2,0,1]=4 1174 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [0,1,0,0,0,0|1,1,1]=4 1175 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [0,1,0,0,0,0|1,1,1]=4 1176 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [0,1,0,0,0,0|1,1,1]=4 1177 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [0,1,0,0,0,0|1,0,1]=3 1178 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [0,1,0,0,0,0|2,0,1]=4 1179 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [0,1,0,0,0,0|2,0,1]=4 1180 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [0,1,0,0,0,0|2,0,1]=4 1181 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [0,1,0,0,0,0|1,1,1]=4 1182 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [0,1,0,0,0,0|1,1,1]=4 1183 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [0,1,0,0,0,0|1,1,1]=4 1184 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [0,1,0,0,0,0|1,1,1]=4 1185 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [0,1,0,0,0,0|1,1,1]=4 1186 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [0,1,0,0,0,0|1,1,1]=4 1187 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [0,1,0,0,0,0|1,1,1]=4 1188 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [0,1,0,0,0,0|1,1,1]=4 1189 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [0,1,0,0,0,0|1,1,1]=4 1190 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [0,1,0,0,0,0|1,1,1]=4 1191 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [0,1,0,0,0,0|1,0,1]=3 1192 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [0,1,0,0,0,0|2,0,1]=4 1193 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [0,1,0,0,0,0|2,0,1]=4 1194 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [0,1,0,0,0,0|2,0,1]=4 1195 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [0,1,0,0,0,0|2,0,1]=4 1196 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [0,1,0,0,0,0|1,1,1]=4 1197 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F TS47662 [0,1,0,0,0,0|2,0,0]=3 1198 B10R1.61 c1ccc(c(c1)C(F)F)Br TS59895 [0,1,0,0,0,0|2,0,0]=3 1199 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS37160 [0,1,0,0,0,0|3,0,0]=4 1200 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS45867 [0,1,0,0,0,0|3,0,0]=4 1201 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br TS46919 [0,1,0,0,0,0|3,0,0]=4 1202 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl TS41833 [0,1,0,0,0,0|3,0,0]=4 1203 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F TS01030 [0,1,0,0,0,0|3,0,0]=4 1204 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I TS46971 [0,1,0,0,0,0|3,0,0]=4 1205 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [0,1,0,0,0,0|2,1,0]=4 1206 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [0,1,0,0,0,0|2,1,0]=4 1207 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S TS09401 [0,1,0,0,0,0|2,0,0]=3 1208 B10R1.245 C=Cc1c(cccc1Cl)Cl TS13296 [0,1,0,0,0,0|1,0,2]=4 1209 B10R1.245 CCc1c(cccc1C)C TS36867 [0,1,0,0,0,0|1,0,0]=2 1210 B10R1.245 CNc1c(cccc1F)F TS93898 [0,1,0,0,0,0|2,0,0]=3 1211 B10R1.245 COc1c(cccc1Br)Br TS65354 [0,1,0,0,0,0|2,0,0]=3 1212 B10R1.245 COc1c(cccc1Br)F TS65034 [0,1,0,0,0,0|2,0,0]=3 1213 B10R1.245 COc1c(cccc1Cl)Cl TS13957 [0,1,0,0,0,0|2,0,0]=3 1214 B10R1.245 COc1c(cccc1Cl)F TS42231 [0,1,0,0,0,0|2,0,0]=3 1215 B10R1.245 COc1c(cccc1F)F TS09248 [0,1,0,0,0,0|2,0,0]=3 1216 B10R1.245 COc1c(cccc1F)N TS70568 [0,1,0,0,0,0|2,0,0]=3 1217 B10R1.245 COc1c(cccc1I)F TS65422 [0,1,0,0,0,0|2,0,0]=3 1218 B10R1.245 COc1c(cccc1O)O TS37340 [0,1,0,0,0,0|1,1,0]=3 1219 B10R1.245 COc1c(cncc1I)I TS22761 [0,1,0,0,0,0|3,0,0]=4 1220 B10R1.245 Cc1c(c(=O)cc[nH]1)OC TS06357 [0,1,0,0,0,0|2,1,0]=4 1221 B10R1.245 Cc1c(c(ccn1)Cl)OC TS87868 [0,1,0,0,0,0|3,0,0]=4 1222 B10R1.245 Cc1cccc(c1C#N)C TS05674 [0,1,0,0,0,0|2,0,1]=4 1223 B10R1.245 Cc1cccc(c1C#N)F TS55368 [0,1,0,0,0,0|2,0,1]=4 1224 B10R1.245 Cc1cccc(c1C#N)N TS39260 [0,1,0,0,0,0|2,0,1]=4 1225 B10R1.245 Cc1cccc(c1C#N)O TS16697 [0,1,0,0,0,0|1,1,1]=4 1226 B10R1.245 Cc1cccc(c1C=C)C TS36710 [0,1,0,0,0,0|1,0,2]=4 1227 B10R1.245 Cc1cccc(c1C=O)C TS47323 [0,1,0,0,0,0|2,0,1]=4 1228 B10R1.245 Cc1cccc(c1C=O)Cl TS02145 [0,1,0,0,0,0|2,0,1]=4 1229 B10R1.245 Cc1cccc(c1CBr)C TS47325 [0,1,0,0,0,0|2,0,0]=3 1230 B10R1.245 Cc1cccc(c1CCl)C TS47326 [0,1,0,0,0,0|2,0,0]=3 1231 B10R1.245 Cc1cccc(c1CN)C TS36957 [0,1,0,0,0,0|2,0,0]=3 1232 B10R1.245 Cc1cccc(c1CO)C TS06075 [0,1,0,0,0,0|2,0,0]=3 1233 B10R1.245 Cc1cccc(c1NN)C TS13272 [0,1,0,0,0,0|3,0,0]=4 1234 B10R1.245 Cc1cccc(c1OC)C TS09255 [0,1,0,0,0,0|2,0,0]=3 1235 B10R1.245 Cc1cccc(c1SC)C TS41197 [0,1,0,0,0,0|2,0,0]=3 1236 B10R1.245 Cc1cccc(c1[N+]#[C-])C TS05670 [0,1,0,0,0,0|2,0,1]=4 1237 B10R1.245 Cc1cncc(c1CO)C TS06185 [0,1,0,0,0,0|3,0,0]=4 1238 B10R1.245 c1cc(c(c(c1)Br)C#N)F TS55358 [0,1,0,0,0,0|2,0,1]=4 1239 B10R1.245 c1cc(c(c(c1)Br)C=O)F TS55144 [0,1,0,0,0,0|2,0,1]=4 1240 B10R1.245 c1cc(c(c(c1)Br)C=O)N TS18935 [0,1,0,0,0,0|2,0,1]=4 1241 B10R1.245 c1cc(c(c(c1)Br)C=O)O TS08363 [0,1,0,0,0,0|1,1,1]=4 1242 B10R1.245 c1cc(c(c(c1)Br)CBr)Cl TS08815 [0,1,0,0,0,0|2,0,0]=3 1243 B10R1.245 c1cc(c(c(c1)Br)CBr)F TS30473 [0,1,0,0,0,0|2,0,0]=3 1244 B10R1.245 c1cc(c(c(c1)Br)CO)F TS19892 [0,1,0,0,0,0|2,0,0]=3 1245 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl TS13099 [0,1,0,0,0,0|2,0,1]=4 1246 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl TS93133 [0,1,0,0,0,0|2,0,1]=4 1247 B10R1.245 c1cc(c(c(c1)Cl)C#N)F TS65402 [0,1,0,0,0,0|2,0,1]=4 1248 B10R1.245 c1cc(c(c(c1)Cl)C#N)N TS41214 [0,1,0,0,0,0|2,0,1]=4 1249 B10R1.245 c1cc(c(c(c1)Cl)C#N)O TS87990 [0,1,0,0,0,0|1,1,1]=4 1250 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl TS47296 [0,1,0,0,0,0|2,0,1]=4 1251 B10R1.245 c1cc(c(c(c1)Cl)C=O)F TS55255 [0,1,0,0,0,0|2,0,1]=4 1252 B10R1.245 c1cc(c(c(c1)Cl)C=O)O TS55262 [0,1,0,0,0,0|1,1,1]=4 1253 B10R1.245 c1cc(c(c(c1)Cl)CBr)Cl TS65356 [0,1,0,0,0,0|2,0,0]=3 1254 B10R1.245 c1cc(c(c(c1)Cl)CBr)F TS65404 [0,1,0,0,0,0|2,0,0]=3 1255 B10R1.245 c1cc(c(c(c1)Cl)CCl)Cl TS52073 [0,1,0,0,0,0|2,0,0]=3 1256 B10R1.245 c1cc(c(c(c1)Cl)CCl)F TS47664 [0,1,0,0,0,0|2,0,0]=3 1257 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl TS13766 [0,1,0,0,0,0|2,0,0]=3 1258 B10R1.245 c1cc(c(c(c1)Cl)CN)F TS11186 [0,1,0,0,0,0|2,0,0]=3 1259 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl TS47300 [0,1,0,0,0,0|2,0,0]=3 1260 B10R1.245 c1cc(c(c(c1)Cl)CO)F TS65403 [0,1,0,0,0,0|2,0,0]=3 1261 B10R1.245 c1cc(c(c(c1)Cl)CS)F TS46193 [0,1,0,0,0,0|2,0,0]=3 1262 B10R1.245 c1cc(c(c(c1)Cl)NN)Cl TS59932 [0,1,0,0,0,0|3,0,0]=4 1263 B10R1.245 c1cc(c(c(c1)Cl)NN)F TS42241 [0,1,0,0,0,0|3,0,0]=4 1264 B10R1.245 c1cc(c(c(c1)F)C#N)F TS34652 [0,1,0,0,0,0|2,0,1]=4 1265 B10R1.245 c1cc(c(c(c1)F)C#N)N TS65370 [0,1,0,0,0,0|2,0,1]=4 1266 B10R1.245 c1cc(c(c(c1)F)C#N)O TS55363 [0,1,0,0,0,0|1,1,1]=4 1267 B10R1.245 c1cc(c(c(c1)F)C=O)F TS34649 [0,1,0,0,0,0|2,0,1]=4 1268 B10R1.245 c1cc(c(c(c1)F)C=O)O TS55361 [0,1,0,0,0,0|1,1,1]=4 1269 B10R1.245 c1cc(c(c(c1)F)CBr)F TS34656 [0,1,0,0,0,0|2,0,0]=3 1270 B10R1.245 c1cc(c(c(c1)F)CCl)F TS09249 [0,1,0,0,0,0|2,0,0]=3 1271 B10R1.245 c1cc(c(c(c1)F)CN)F TS34655 [0,1,0,0,0,0|2,0,0]=3 1272 B10R1.245 c1cc(c(c(c1)F)CO)F TS59510 [0,1,0,0,0,0|2,0,0]=3 1273 B10R1.245 c1cc(c(c(c1)F)C[Zn+])F TS33415 [0,1,0,0,0,0|2,0,0]=3 1274 B10R1.245 c1cc(c(c(c1)F)NN)F TS09250 [0,1,0,0,0,0|3,0,0]=4 1275 B10R1.245 c1cc(c(c(c1)F)NN)F TS47308 [0,1,0,0,0,0|3,0,0]=4 1276 B10R1.245 c1cc(c(c(c1)I)C#N)F TS55364 [0,1,0,0,0,0|2,0,1]=4 1277 B10R1.245 c1cc(c(c(c1)I)C=O)F TS01227 [0,1,0,0,0,0|2,0,1]=4 1278 B10R1.245 c1cc(c(c(c1)O)C#N)O TS05970 [0,1,0,0,0,0|1,1,1]=4 1279 B10R1.245 c1cc(c(c(c1)O)C=O)O TS06226 [0,1,0,0,0,0|1,1,1]=4 1280 B10R1.245 c1cnc(c(c1I)CO)Cl TS07710 [0,1,0,0,0,0|3,0,0]=4 1281 B10R1.245 c1cnc(c(c1I)CO)F TS39273 [0,1,0,0,0,0|3,0,0]=4 1282 B8R0.1 CCOC(=O)C=CC=O TS36273 [0,0,1,0,0,0|2,1,0]=4 1283 B8R0.4 CCCC=CC=CC=O TS36011 [0,0,1,0,0,0|0,1,1]=3 1284 B8R0.4 CCCC=CC=CCO TS36154 [0,0,1,0,0,0|0,1,2]=4 1285 B8R0.4 CCCCC=CC=CC TS05047 [0,0,1,0,0,0|1,0,2]=4 1286 B10R2.7 B1Oc2ccccc2O1 TS39809 [0,0,0,1,0,0|2,1,0]=4 1287 B10R2.7 C1CC2=C(C1)CC=CC2 TS04827 [0,0,0,1,0,0|1,0,2]=4 1288 B10R2.7 C1CC2C=CC=CC2C1 TS61035 [0,0,0,1,0,0|1,0,2]=4 1289 B10R2.7 C1CC2C=CC=CC2C1 TS64668 [0,0,0,1,0,0|1,0,2]=4 1290 B10R2.7 C1CC2C=CC=CC2C1 TS78604 [0,0,0,1,0,0|1,0,2]=4 1291 B10R2.7 C1CC2C=CC=CC2C1 TS80786 [0,0,0,1,0,0|1,0,2]=4 1292 B10R2.7 c1cc2c(ccs2)nc1 TS89324 [0,0,0,1,0,0|1,0,2]=4 1293 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [0,0,0,1,0,0|2,0,0]=3 1294 B10R2.7 c1cc2c(nc1)CNC2 TS01200 [0,0,0,1,0,0|3,0,0]=4 1295 B10R2.7 c1cc2c(nc1)CNC2 TS90710 [0,0,0,1,0,0|3,0,0]=4 1296 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [0,0,0,1,0,0|2,0,0]=3 1297 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [0,0,0,1,0,0|1,0,1]=3 1298 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [0,0,0,1,0,0|1,0,1]=3 1299 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [0,0,0,1,0,0|1,0,0]=2 1300 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [0,0,0,1,0,0|1,0,0]=2 1301 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [0,0,0,1,0,0|0,1,0]=2 1302 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [0,0,0,1,0,0|2,0,0]=3 1303 B10R2.7 c1ccc2c(c1)COC2 TS04810 [0,0,0,1,0,0|2,0,0]=3 1304 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [0,0,0,1,0,0|2,0,0]=3 1305 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [0,0,0,1,0,0|1,1,0]=3 1306 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [0,0,0,1,0,0|1,0,0]=2 1307 B10R2.7 c1ccc2c(c1)[nH]cn2 TS04721 [0,0,0,1,0,0|2,0,1]=4 1308 B10R2.7 c1ccc2c(c1)[nH]nn2 TS04780 [0,0,0,1,0,0|3,0,0]=4 1309 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [0,0,0,1,0,0|1,0,2]=4 1310 B10R2.7 c1ccc2c(c1)cc[se]2 TS48035 [0,0,0,1,0,0|0,1,2]=4 1311 B10R2.7 c1ccc2c(c1)cco2 TS39813 [0,0,0,1,0,0|0,1,2]=4 1312 B10R2.7 c1ccc2c(c1)ccs2 TS55756 [0,0,0,1,0,0|0,0,2]=3 1313 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [0,0,0,1,0,0|2,0,1]=4 1314 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [0,0,0,1,0,0|2,0,1]=4 1315 B10R2.7 c1ccc2c(c1)cno2 TS32395 [0,0,0,1,0,0|1,1,1]=4 1316 B10R2.7 c1ccc2c(c1)cns2 TS06001 [0,0,0,1,0,0|1,0,1]=3 1317 B10R2.7 c1ccc2c(c1)con2 TS32394 [0,0,0,1,0,0|2,0,1]=4 1318 B10R2.7 c1ccc2c(c1)nco2 TS32393 [0,0,0,1,0,0|1,1,1]=4 1319 B10R2.7 c1ccc2c(c1)ncs2 TS05999 [0,0,0,1,0,0|1,0,1]=3 1320 B10R2.7 c1ccc2c(c1)nns2 TS37006 [0,0,0,1,0,0|2,0,0]=3 1321 B10R2.7 c1ccc2c(c1)non2 TS47106 [0,0,0,1,0,0|3,0,0]=4 1322 B10R2.7 c1ccc2c(c1)nsn2 TS85179 [0,0,0,1,0,0|3,0,0]=4 1323 B10R2.7 c1cncc2c1CNC2 TS00566 [0,0,0,1,0,0|3,0,0]=4 1324 B10R2.7 c1cncc2c1CNC2 TS41735 [0,0,0,1,0,0|3,0,0]=4 1325 B10R2.68 c1cc2c(c(c1)Br)CC2 TS09593 [0,0,0,1,0,0|1,0,0]=2 1326 B10R2.68 c1cc2c(c(c1)N)CC2 TS70910 [0,0,0,1,0,0|1,0,0]=2 1327 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [0,0,0,1,0,0|2,0,1]=4 1328 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [0,0,0,1,0,0|2,0,0]=3 1329 B8R1.11 CCc1c[nH]nc1N TS65857 [0,0,0,0,1,0|3,0,0]=4 1330 B8R1.11 CCn1c(ccn1)N TS86902 [0,0,0,0,1,0|3,0,0]=4 1331 B8R1.11 Cc1c(cco1)SC TS36315 [0,0,0,0,1,0|3,0,0]=4 1332 B8R1.11 Cn1cccc1CN TS04204 [0,0,0,0,1,0|3,0,0]=4 1333 B8R1.11 c1csc(c1Br)CN TS51400 [0,0,0,0,1,0|3,0,0]=4 1334 B8R1.11 c1csc(c1Br)CO TS51586 [0,0,0,0,1,0|3,0,0]=4 1335 B8R1.11 c1csc(c1CBr)Br TS86576 [0,0,0,0,1,0|3,0,0]=4 1336 B8R1.11 c1csc(c1CBr)Cl TS21190 [0,0,0,0,1,0|3,0,0]=4 1337 B8R1.11 c1csc(c1CCl)Cl TS08393 [0,0,0,0,1,0|3,0,0]=4 1338 B8R1.11 c1csc(c1CN)Br TS51399 [0,0,0,0,1,0|3,0,0]=4 1339 B8R1.11 c1csc(c1Cl)CN TS85965 [0,0,0,0,1,0|3,0,0]=4 1340 B8R1.11 c1csc(c1Cl)CO TS88849 [0,0,0,0,1,0|3,0,0]=4 1341 B7R0.1 CCC=CC=CC=O TS04199 [1,0,1,0,0,0|0,1,0]=3 1342 B7R0.1 CCC=CC=CCO TS31934 [1,0,1,0,0,0|0,1,1]=4 1343 B7R0.1 CCCC=CC=CC TS31845 [1,0,1,0,0,0|0,0,2]=4 1344 B7R0.1 CCCC=CCC=C TS31855 [1,0,1,0,0,0|0,0,2]=4 1345 B7R0.1 CCCCC=CC=C TS31850 [1,0,1,0,0,0|0,0,2]=4 1346 B7R0.3 CCC(=CCC=C)C TS04221 [1,0,1,0,0,0|0,0,2]=4 1347 B7R0.3 COC(=O)C=CC=C TS31908 [1,0,1,0,0,0|1,1,0]=4 1348 B7R0.5 CC(=C)C(=O)OC=C TS31917 [1,0,1,0,0,0|1,1,0]=4 1349 B7R1.3 B=N1=CC=CC=C1 TS71871 [2,0,0,0,0,0|2,0,0]=4 1350 B7R1.3 CC1CC=CC=C1 TS03676 [2,0,0,0,0,0|0,0,2]=4 1351 B7R1.3 C[n+]1ccccc1 TS05508 [2,0,0,0,0,0|1,0,0]=3 1352 B7R1.3 C[n+]1ccccc1 TS45717 [2,0,0,0,0,0|1,0,0]=3 1353 B7R1.3 Cc1ccccc1 TS71861 [2,0,0,0,0,0|0,0,0]=2 1354 B7R1.3 Cc1ccccn1 TS71881 [2,0,0,0,0,0|1,0,0]=3 1355 B7R1.3 Cc1ccccn1 TS93768 [2,0,0,0,0,0|1,0,0]=3 1356 B7R1.3 Cc1cccnc1 TS39719 [2,0,0,0,0,0|1,0,0]=3 1357 B7R1.3 Cc1cccnn1 TS70675 [2,0,0,0,0,0|2,0,0]=4 1358 B7R1.3 Cc1ccncc1 TS02242 [2,0,0,0,0,0|1,0,0]=3 1359 B7R1.3 Cc1ccncn1 TS71236 [2,0,0,0,0,0|2,0,0]=4 1360 B7R1.3 Cc1ccnnc1 TS03181 [2,0,0,0,0,0|2,0,0]=4 1361 B7R1.3 Cc1cnccn1 TS02445 [2,0,0,0,0,0|2,0,0]=4 1362 B7R1.3 Cc1cncnc1 TS01164 [2,0,0,0,0,0|2,0,0]=4 1363 B7R1.3 Cc1ncccn1 TS59978 [2,0,0,0,0,0|2,0,0]=4 1364 B7R1.3 [Li]c1ccccc1 TS03475 [2,0,0,0,0,0|1,0,0]=3 1365 B7R1.3 c1cc(cnc1)Br TS09497 [2,0,0,0,0,0|2,0,0]=4 1366 B7R1.3 c1cc(cnc1)Cl TS66010 [2,0,0,0,0,0|2,0,0]=4 1367 B7R1.3 c1cc(cnc1)F TS02768 [2,0,0,0,0,0|2,0,0]=4 1368 B7R1.3 c1cc(cnc1)I TS70634 [2,0,0,0,0,0|2,0,0]=4 1369 B7R1.3 c1cc(cnc1)N TS02672 [2,0,0,0,0,0|2,0,0]=4 1370 B7R1.3 c1cc(cnc1)O TS32269 [2,0,0,0,0,0|1,1,0]=4 1371 B7R1.3 c1cc[n+](cc1)F TS15405 [2,0,0,0,0,0|2,0,0]=4 1372 B7R1.3 c1cc[n+](cc1)N TS50044 [2,0,0,0,0,0|2,0,0]=4 1373 B7R1.3 c1ccc(cc1)Br TS33230 [2,0,0,0,0,0|1,0,0]=3 1374 B7R1.3 c1ccc(cc1)Cl TS39829 [2,0,0,0,0,0|1,0,0]=3 1375 B7R1.3 c1ccc(cc1)F TS03718 [2,0,0,0,0,0|1,0,0]=3 1376 B7R1.3 c1ccc(cc1)I TS01502 [2,0,0,0,0,0|1,0,0]=3 1377 B7R1.3 c1ccc(cc1)I TS09193 [2,0,0,0,0,0|1,0,0]=3 1378 B7R1.3 c1ccc(cc1)N TS05506 [2,0,0,0,0,0|1,0,0]=3 1379 B7R1.3 c1ccc(cc1)N TS17238 [2,0,0,0,0,0|1,0,0]=3 1380 B7R1.3 c1ccc(cc1)N TS31115 [2,0,0,0,0,0|1,0,0]=3 1381 B7R1.3 c1ccc(cc1)N TS45718 [2,0,0,0,0,0|1,0,0]=3 1382 B7R1.3 c1ccc(cc1)N TS50550 [2,0,0,0,0,0|1,0,0]=3 1383 B7R1.3 c1ccc(cc1)N TS71877 [2,0,0,0,0,0|1,0,0]=3 1384 B7R1.3 c1ccc(cc1)O TS03667 [2,0,0,0,0,0|0,1,0]=3 1385 B7R1.3 c1ccc(cc1)P TS04186 [2,0,0,0,0,0|1,0,0]=3 1386 B7R1.3 c1ccc(cc1)S TS04213 [2,0,0,0,0,0|0,0,0]=2 1387 B7R1.3 c1ccc(cc1)[AsH2] TS10367 [2,0,0,0,0,0|1,0,0]=3 1388 B7R1.3 c1ccc(cc1)[O-] TS31486 [2,0,0,0,0,0|0,1,0]=3 1389 B7R1.3 c1ccc(cc1)[O-] TS45086 [2,0,0,0,0,0|0,1,0]=3 1390 B7R1.3 c1ccc(cc1)[S-] TS13286 [2,0,0,0,0,0|0,0,1]=3 1391 B7R1.3 c1ccc(cc1)[S-] TS36665 [2,0,0,0,0,0|0,0,1]=3 1392 B7R1.3 c1ccc(cc1)[SiH3] TS04151 [2,0,0,0,0,0|0,1,0]=3 1393 B7R1.3 c1ccc(cc1)[Zn+] TS23551 [2,0,0,0,0,0|1,0,0]=3 1394 B7R1.3 c1ccn(=O)cc1 TS60161 [2,0,0,0,0,0|1,1,0]=4 1395 B7R1.3 c1ccnc(c1)Cl TS02148 [2,0,0,0,0,0|2,0,0]=4 1396 B7R1.3 c1ccnc(c1)F TS60290 [2,0,0,0,0,0|2,0,0]=4 1397 B7R1.3 c1ccnc(c1)I TS01085 [2,0,0,0,0,0|2,0,0]=4 1398 B7R1.3 c1ccnc(c1)N TS03671 [2,0,0,0,0,0|2,0,0]=4 1399 B7R1.3 c1ccnc(c1)O TS03693 [2,0,0,0,0,0|1,1,0]=4 1400 B7R1.3 c1ccnc(c1)S TS31885 [2,0,0,0,0,0|1,0,0]=3 1401 B7R1.3 c1ccnc(c1)[Zn+] TS50356 [2,0,0,0,0,0|2,0,0]=4 1402 B7R1.3 c1ccoc(=O)c1 TS03711 [2,0,0,0,0,0|1,1,0]=4 1403 B7R1.3 c1cnc(cn1)S TS04306 [2,0,0,0,0,0|2,0,0]=4 1404 B7R1.3 c1cnc(nc1)S TS55424 [2,0,0,0,0,0|2,0,0]=4 1405 B7R1.3 c1cnccc1Br TS57179 [2,0,0,0,0,0|2,0,0]=4 1406 B7R1.3 c1cnccc1Cl TS09693 [2,0,0,0,0,0|2,0,0]=4 1407 B7R1.3 c1cnccc1I TS09722 [2,0,0,0,0,0|2,0,0]=4 1408 B7R1.3 c1cnccc1N TS70921 [2,0,0,0,0,0|2,0,0]=4 1409 B7R1.3 c1cnccc1O TS87252 [2,0,0,0,0,0|1,1,0]=4 1410 B7R1.3 c1cnccc1S TS31884 [2,0,0,0,0,0|1,0,0]=3 1411 B7R1.3 c1coccc1=O TS39928 [2,0,0,0,0,0|1,1,0]=4 1412 B9R0.5 CCOC(=O)C=CC=CC TS37387 [0,1,1,0,0,0|1,1,0]=4 1413 B9R0.45 CCC=CCCC=CC=O TS37213 [0,1,1,0,0,0|0,1,1]=4 1414 B9R0.45 CCCCC=CC=CC=O TS37223 [0,1,1,0,0,0|0,1,1]=4 1415 B9R0.15 CCCC(=CC=C)C(=O)O TS06475 [0,1,1,0,0,0|1,1,0]=4 1416 B9R1.1 C#Cc1ccc(cc1)Br TS39997 [1,1,0,0,0,0|0,0,2]=4 1417 B9R1.1 C#Cc1ccc(cc1)Cl TS46931 [1,1,0,0,0,0|0,0,2]=4 1418 B9R1.1 C#Cc1ccc(cc1)F TS07664 [1,1,0,0,0,0|0,0,2]=4 1419 B9R1.1 C#Cc1ccc(cc1)N TS04675 [1,1,0,0,0,0|0,0,2]=4 1420 B9R1.1 C#Cc1ccc(cc1)O TS71112 [1,1,0,0,0,0|0,0,2]=4 1421 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [1,1,0,0,0,0|0,0,2]=4 1422 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [1,1,0,0,0,0|0,0,2]=4 1423 B9R1.1 C=Cc1ccc(cc1)F TS32505 [1,1,0,0,0,0|0,0,2]=4 1424 B9R1.1 C=Cc1ccc(cc1)N TS04791 [1,1,0,0,0,0|0,0,2]=4 1425 B9R1.1 C=Cc1ccc(cc1)O TS71308 [1,1,0,0,0,0|0,0,2]=4 1426 B9R1.1 CCc1ccc(cc1)Br TS01944 [1,1,0,0,0,0|0,0,0]=2 1427 B9R1.1 CCc1ccc(cc1)Cl TS37449 [1,1,0,0,0,0|0,0,0]=2 1428 B9R1.1 CCc1ccc(cc1)F TS05030 [1,1,0,0,0,0|0,0,0]=2 1429 B9R1.1 CCc1ccc(cc1)I TS25158 [1,1,0,0,0,0|0,0,0]=2 1430 B9R1.1 CCc1ccc(cc1)N TS04870 [1,1,0,0,0,0|0,0,0]=2 1431 B9R1.1 CCc1ccc(cc1)O TS04905 [1,1,0,0,0,0|0,0,0]=2 1432 B9R1.1 CCc1ccc(cc1)S TS06298 [1,1,0,0,0,0|0,0,0]=2 1433 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [1,1,0,0,0,0|0,0,0]=2 1434 B9R1.1 CCc1ccc(nc1)C TS32477 [1,1,0,0,0,0|1,0,0]=3 1435 B9R1.1 CCc1ccc(nc1)O TS04959 [1,1,0,0,0,0|1,0,0]=3 1436 B9R1.1 CCc1cnc(nc1)Cl TS55238 [1,1,0,0,0,0|2,0,0]=4 1437 B9R1.1 CCc1cnc(nc1)N TS03294 [1,1,0,0,0,0|2,0,0]=4 1438 B9R1.1 CCc1ncc(cn1)N TS86011 [1,1,0,0,0,0|2,0,0]=4 1439 B9R1.1 CNc1ccc(cc1)Br TS48830 [1,1,0,0,0,0|1,0,0]=3 1440 B9R1.1 CNc1ccc(cc1)Cl TS37534 [1,1,0,0,0,0|1,0,0]=3 1441 B9R1.1 CNc1ccc(cc1)F TS36055 [1,1,0,0,0,0|1,0,0]=3 1442 B9R1.1 CNc1ccc(cc1)I TS32640 [1,1,0,0,0,0|1,0,0]=3 1443 B9R1.1 CNc1ccc(cc1)N TS04921 [1,1,0,0,0,0|1,0,0]=3 1444 B9R1.1 CNc1ccc(cc1)N TS17998 [1,1,0,0,0,0|1,0,0]=3 1445 B9R1.1 CNc1ccc(cc1)O TS04963 [1,1,0,0,0,0|1,0,0]=3 1446 B9R1.1 CNc1ccc(cc1)O TS78698 [1,1,0,0,0,0|1,0,0]=3 1447 B9R1.1 CNc1ccc(nc1)Br TS49023 [1,1,0,0,0,0|2,0,0]=4 1448 B9R1.1 COc1ccc(cc1)Cl TS37682 [1,1,0,0,0,0|1,0,0]=3 1449 B9R1.1 COc1ccc(cc1)F TS32969 [1,1,0,0,0,0|1,0,0]=3 1450 B9R1.1 COc1ccc(cc1)I TS59516 [1,1,0,0,0,0|1,0,0]=3 1451 B9R1.1 COc1ccc(cc1)N TS01634 [1,1,0,0,0,0|1,0,0]=3 1452 B9R1.1 COc1ccc(cc1)N TS11193 [1,1,0,0,0,0|1,0,0]=3 1453 B9R1.1 COc1ccc(cc1)N TS93025 [1,1,0,0,0,0|1,0,0]=3 1454 B9R1.1 COc1ccc(cc1)O TS02083 [1,1,0,0,0,0|1,0,0]=3 1455 B9R1.1 COc1ccc(cc1)S TS06486 [1,1,0,0,0,0|1,0,0]=3 1456 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [1,1,0,0,0,0|1,0,0]=3 1457 B9R1.1 COc1ccc(cn1)Br TS09790 [1,1,0,0,0,0|2,0,0]=4 1458 B9R1.1 COc1ccc(cn1)Cl TS71503 [1,1,0,0,0,0|2,0,0]=4 1459 B9R1.1 COc1ccc(cn1)F TS71544 [1,1,0,0,0,0|2,0,0]=4 1460 B9R1.1 COc1ccc(cn1)I TS01075 [1,1,0,0,0,0|2,0,0]=4 1461 B9R1.1 COc1ccc(cn1)N TS05017 [1,1,0,0,0,0|2,0,0]=4 1462 B9R1.1 COc1ccc(cn1)O TS71568 [1,1,0,0,0,0|2,0,0]=4 1463 B9R1.1 COc1ccc(nc1)Br TS08354 [1,1,0,0,0,0|2,0,0]=4 1464 B9R1.1 COc1ccc(nc1)Cl TS00910 [1,1,0,0,0,0|2,0,0]=4 1465 B9R1.1 COc1ccc(nc1)N TS47440 [1,1,0,0,0,0|2,0,0]=4 1466 B9R1.1 COc1ccn(=O)cc1 TS71219 [1,1,0,0,0,0|2,0,0]=4 1467 B9R1.1 CSc1ccc(cc1)Br TS09618 [1,1,0,0,0,0|1,0,0]=3 1468 B9R1.1 CSc1ccc(cc1)Cl TS42001 [1,1,0,0,0,0|1,0,0]=3 1469 B9R1.1 CSc1ccc(cc1)F TS06687 [1,1,0,0,0,0|1,0,0]=3 1470 B9R1.1 CSc1ccc(cc1)I TS27986 [1,1,0,0,0,0|1,0,0]=3 1471 B9R1.1 CSc1ccc(cc1)N TS06394 [1,1,0,0,0,0|1,0,0]=3 1472 B9R1.1 CSc1ccc(cc1)O TS37396 [1,1,0,0,0,0|1,0,0]=3 1473 B9R1.1 CSc1ccc(cc1)S TS41710 [1,1,0,0,0,0|1,0,0]=3 1474 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [1,1,0,0,0,0|1,0,0]=3 1475 B9R1.1 CSc1ccc(cn1)Br TS71433 [1,1,0,0,0,0|2,0,0]=4 1476 B9R1.1 CSc1ccc(nc1)N TS37399 [1,1,0,0,0,0|2,0,0]=4 1477 B9R1.1 Cc1ccc(cc1)C#C TS32874 [1,1,0,0,0,0|0,0,2]=4 1478 B9R1.1 Cc1ccc(cc1)C#N TS04679 [1,1,0,0,0,0|1,0,1]=4 1479 B9R1.1 Cc1ccc(cc1)C=C TS71237 [1,1,0,0,0,0|0,0,2]=4 1480 B9R1.1 Cc1ccc(cc1)C=O TS09079 [1,1,0,0,0,0|1,0,1]=4 1481 B9R1.1 Cc1ccc(cc1)CBr TS03170 [1,1,0,0,0,0|1,0,0]=3 1482 B9R1.1 Cc1ccc(cc1)CCl TS37455 [1,1,0,0,0,0|1,0,0]=3 1483 B9R1.1 Cc1ccc(cc1)CN TS32473 [1,1,0,0,0,0|1,0,0]=3 1484 B9R1.1 Cc1ccc(cc1)CO TS04902 [1,1,0,0,0,0|1,0,0]=3 1485 B9R1.1 Cc1ccc(cc1)CS TS06300 [1,1,0,0,0,0|1,0,0]=3 1486 B9R1.1 Cc1ccc(cc1)NC TS32470 [1,1,0,0,0,0|1,0,0]=3 1487 B9R1.1 Cc1ccc(cc1)NN TS01655 [1,1,0,0,0,0|2,0,0]=4 1488 B9R1.1 Cc1ccc(cc1)NN TS23082 [1,1,0,0,0,0|2,0,0]=4 1489 B9R1.1 Cc1ccc(cc1)OC TS04894 [1,1,0,0,0,0|1,0,0]=3 1490 B9R1.1 Cc1ccc(cc1)SC TS71244 [1,1,0,0,0,0|1,0,0]=3 1491 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [1,1,0,0,0,0|2,0,0]=4 1492 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [1,1,0,0,0,0|2,0,0]=4 1493 B9R1.1 Cc1ccc(cn1)CN TS88042 [1,1,0,0,0,0|2,0,0]=4 1494 B9R1.1 Cc1ccc(cn1)OC TS04979 [1,1,0,0,0,0|2,0,0]=4 1495 B9R1.1 Cc1ccc(nc1)CN TS08057 [1,1,0,0,0,0|2,0,0]=4 1496 B9R1.1 [C-]#[N+]c1ccc(cc1)Br TS14866 [1,1,0,0,0,0|1,0,1]=4 1497 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl TS37137 [1,1,0,0,0,0|1,0,1]=4 1498 B9R1.1 [C-]#[N+]c1ccc(cc1)F TS04858 [1,1,0,0,0,0|1,0,1]=4 1499 B9R1.1 c1cc(=O)[nH]cc1CN TS71378 [1,1,0,0,0,0|2,0,0]=4 1500 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [1,1,0,0,0,0|2,0,0]=4 1501 B9R1.1 c1cc(ccc1C#N)Br TS09595 [1,1,0,0,0,0|1,0,1]=4 1502 B9R1.1 c1cc(ccc1C#N)Cl TS33152 [1,1,0,0,0,0|1,0,1]=4 1503 B9R1.1 c1cc(ccc1C#N)F TS93132 [1,1,0,0,0,0|1,0,1]=4 1504 B9R1.1 c1cc(ccc1C#N)I TS09717 [1,1,0,0,0,0|1,0,1]=4 1505 B9R1.1 c1cc(ccc1C#N)N TS70912 [1,1,0,0,0,0|1,0,1]=4 1506 B9R1.1 c1cc(ccc1C#N)O TS03063 [1,1,0,0,0,0|1,0,1]=4 1507 B9R1.1 c1cc(ccc1C#N)S TS03071 [1,1,0,0,0,0|1,0,1]=4 1508 B9R1.1 c1cc(ccc1C#N)[Zn+] TS27647 [1,1,0,0,0,0|1,0,1]=4 1509 B9R1.1 c1cc(ccc1C=O)Br TS09589 [1,1,0,0,0,0|1,0,1]=4 1510 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [1,1,0,0,0,0|1,0,1]=4 1511 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [1,1,0,0,0,0|1,0,1]=4 1512 B9R1.1 c1cc(ccc1C=O)F TS03079 [1,1,0,0,0,0|1,0,1]=4 1513 B9R1.1 c1cc(ccc1C=O)I TS71194 [1,1,0,0,0,0|1,0,1]=4 1514 B9R1.1 c1cc(ccc1C=O)N TS08868 [1,1,0,0,0,0|1,0,1]=4 1515 B9R1.1 c1cc(ccc1C=O)O TS01630 [1,1,0,0,0,0|1,0,1]=4 1516 B9R1.1 c1cc(ccc1C=O)O TS42180 [1,1,0,0,0,0|1,0,1]=4 1517 B9R1.1 c1cc(ccc1CBr)Br TS09598 [1,1,0,0,0,0|1,0,0]=3 1518 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [1,1,0,0,0,0|1,0,0]=3 1519 B9R1.1 c1cc(ccc1CBr)F TS03088 [1,1,0,0,0,0|1,0,0]=3 1520 B9R1.1 c1cc(ccc1CBr)I TS09718 [1,1,0,0,0,0|1,0,0]=3 1521 B9R1.1 c1cc(ccc1CBr)O TS16899 [1,1,0,0,0,0|1,0,0]=3 1522 B9R1.1 c1cc(ccc1CCl)Br TS16774 [1,1,0,0,0,0|1,0,0]=3 1523 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [1,1,0,0,0,0|1,0,0]=3 1524 B9R1.1 c1cc(ccc1CCl)F TS07044 [1,1,0,0,0,0|1,0,0]=3 1525 B9R1.1 c1cc(ccc1CN)Br TS09597 [1,1,0,0,0,0|1,0,0]=3 1526 B9R1.1 c1cc(ccc1CN)Br TS60052 [1,1,0,0,0,0|1,0,0]=3 1527 B9R1.1 c1cc(ccc1CN)Cl TS33154 [1,1,0,0,0,0|1,0,0]=3 1528 B9R1.1 c1cc(ccc1CN)Cl TS71062 [1,1,0,0,0,0|1,0,0]=3 1529 B9R1.1 c1cc(ccc1CN)F TS03087 [1,1,0,0,0,0|1,0,0]=3 1530 B9R1.1 c1cc(ccc1CN)F TS42359 [1,1,0,0,0,0|1,0,0]=3 1531 B9R1.1 c1cc(ccc1CN)I TS07803 [1,1,0,0,0,0|1,0,0]=3 1532 B9R1.1 c1cc(ccc1CN)I TS73917 [1,1,0,0,0,0|1,0,0]=3 1533 B9R1.1 c1cc(ccc1CN)N TS32510 [1,1,0,0,0,0|1,0,0]=3 1534 B9R1.1 c1cc(ccc1CN)O TS38524 [1,1,0,0,0,0|1,0,0]=3 1535 B9R1.1 c1cc(ccc1CN)O TS71170 [1,1,0,0,0,0|1,0,0]=3 1536 B9R1.1 c1cc(ccc1CO)Br TS16773 [1,1,0,0,0,0|1,0,0]=3 1537 B9R1.1 c1cc(ccc1CO)Cl TS37684 [1,1,0,0,0,0|1,0,0]=3 1538 B9R1.1 c1cc(ccc1CO)F TS36109 [1,1,0,0,0,0|1,0,0]=3 1539 B9R1.1 c1cc(ccc1CO)I TS02234 [1,1,0,0,0,0|1,0,0]=3 1540 B9R1.1 c1cc(ccc1CO)N TS70914 [1,1,0,0,0,0|1,0,0]=3 1541 B9R1.1 c1cc(ccc1CO)O TS46479 [1,1,0,0,0,0|1,0,0]=3 1542 B9R1.1 c1cc(ccc1CO)S TS37388 [1,1,0,0,0,0|1,0,0]=3 1543 B9R1.1 c1cc(ccc1CS)Br TS19522 [1,1,0,0,0,0|1,0,0]=3 1544 B9R1.1 c1cc(ccc1CS)Cl TS42005 [1,1,0,0,0,0|1,0,0]=3 1545 B9R1.1 c1cc(ccc1CS)F TS06684 [1,1,0,0,0,0|1,0,0]=3 1546 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [1,1,0,0,0,0|1,0,0]=3 1547 B9R1.1 c1cc(ccc1F)[Mg]Br TS16672 [1,1,0,0,0,0|2,0,0]=4 1548 B9R1.1 c1cc(ccc1N=O)O TS32551 [1,1,0,0,0,0|2,0,0]=4 1549 B9R1.1 c1cc(ccc1NN)Br TS50374 [1,1,0,0,0,0|2,0,0]=4 1550 B9R1.1 c1cc(ccc1NN)Cl TS06801 [1,1,0,0,0,0|2,0,0]=4 1551 B9R1.1 c1cc(ccc1NN)Cl TS67272 [1,1,0,0,0,0|2,0,0]=4 1552 B9R1.1 c1cc(ccc1NN)I TS53552 [1,1,0,0,0,0|2,0,0]=4 1553 B9R1.1 c1cc(ccc1[Mg]Br)Cl TS21953 [1,1,0,0,0,0|2,0,0]=4 1554 B9R1.1 c1cc(ccc1[Mg]Cl)Cl TS45365 [1,1,0,0,0,0|2,0,0]=4 1555 B9R1.1 c1cc(ccc1[N+]#N)Br TS30906 [1,1,0,0,0,0|2,0,0]=4 1556 B9R1.1 c1cc(ncc1Br)CO TS71442 [1,1,0,0,0,0|2,0,0]=4 1557 B9R1.1 c1cc(ncc1CBr)Cl TS71318 [1,1,0,0,0,0|2,0,0]=4 1558 B9R1.1 c1cc(ncc1CBr)F TS90058 [1,1,0,0,0,0|2,0,0]=4 1559 B9R1.1 c1cc(ncc1CCl)Cl TS47256 [1,1,0,0,0,0|2,0,0]=4 1560 B9R1.1 c1cc(ncc1CCl)F TS86320 [1,1,0,0,0,0|2,0,0]=4 1561 B9R1.1 c1cc(ncc1CN)Cl TS71379 [1,1,0,0,0,0|2,0,0]=4 1562 B9R1.1 c1cc(ncc1CN)F TS87785 [1,1,0,0,0,0|2,0,0]=4 1563 B9R1.1 c1cc(ncc1CO)Br TS22929 [1,1,0,0,0,0|2,0,0]=4 1564 B9R1.1 c1cc(ncc1CO)Cl TS55248 [1,1,0,0,0,0|2,0,0]=4 1565 B9R1.1 c1cc(ncc1CO)F TS85126 [1,1,0,0,0,0|2,0,0]=4 1566 B9R1.1 c1cc(ncc1CO)N TS46564 [1,1,0,0,0,0|2,0,0]=4 1567 B9R1.1 c1cc(ncc1Cl)CCl TS87444 [1,1,0,0,0,0|2,0,0]=4 1568 B9R1.1 c1cc(ncc1F)CO TS88541 [1,1,0,0,0,0|2,0,0]=4 1569 B9R1.1 c1cc(ncc1N)CN TS32573 [1,1,0,0,0,0|2,0,0]=4 1570 B9R1.1 c1cn(=O)ccc1CO TS59701 [1,1,0,0,0,0|2,0,0]=4 1571 B9R1.2 C#Cc1cccc(c1)Br TS65960 [1,1,0,0,0,0|0,0,2]=4 1572 B9R1.2 C#Cc1cccc(c1)Cl TS02032 [1,1,0,0,0,0|0,0,2]=4 1573 B9R1.2 C#Cc1cccc(c1)F TS70602 [1,1,0,0,0,0|0,0,2]=4 1574 B9R1.2 C#Cc1cccc(c1)N TS02665 [1,1,0,0,0,0|0,0,2]=4 1575 B9R1.2 C#Cc1cccc(c1)O TS32329 [1,1,0,0,0,0|0,0,2]=4 1576 B9R1.2 C=Cc1cccc(c1)Br TS48377 [1,1,0,0,0,0|0,0,2]=4 1577 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [1,1,0,0,0,0|0,0,2]=4 1578 B9R1.2 C=Cc1cccc(c1)F TS32503 [1,1,0,0,0,0|0,0,2]=4 1579 B9R1.2 C=Cc1cccc(c1)N TS04792 [1,1,0,0,0,0|0,0,2]=4 1580 B9R1.2 CC[n+]1cccc(c1)O TS38523 [1,1,0,0,0,0|1,0,0]=3 1581 B9R1.2 CCc1cc(cnc1)Br TS91617 [1,1,0,0,0,0|1,0,0]=3 1582 B9R1.2 CCc1cccc(c1)Br TS32764 [1,1,0,0,0,0|0,0,0]=2 1583 B9R1.2 CCc1cccc(c1)C TS04835 [1,1,0,0,0,0|0,0,0]=2 1584 B9R1.2 CCc1cccc(c1)N TS32463 [1,1,0,0,0,0|0,0,0]=2 1585 B9R1.2 CCc1cccc(c1)O TS04895 [1,1,0,0,0,0|0,0,0]=2 1586 B9R1.2 CCc1cccc(n1)C TS32466 [1,1,0,0,0,0|1,0,0]=3 1587 B9R1.2 CCc1cccc(n1)N TS60098 [1,1,0,0,0,0|1,0,0]=3 1588 B9R1.2 CCc1ccnc(c1)Br TS48833 [1,1,0,0,0,0|1,0,0]=3 1589 B9R1.2 CCc1ccnc(c1)C TS32469 [1,1,0,0,0,0|1,0,0]=3 1590 B9R1.2 CCc1ccnc(c1)N TS71108 [1,1,0,0,0,0|1,0,0]=3 1591 B9R1.2 CNc1cc(ccn1)Cl TS37689 [1,1,0,0,0,0|2,0,0]=4 1592 B9R1.2 CNc1cccc(c1)Br TS48829 [1,1,0,0,0,0|1,0,0]=3 1593 B9R1.2 CNc1cccc(c1)Cl TS37535 [1,1,0,0,0,0|1,0,0]=3 1594 B9R1.2 CNc1cccc(c1)F TS70598 [1,1,0,0,0,0|1,0,0]=3 1595 B9R1.2 CNc1cccc(n1)Cl TS94212 [1,1,0,0,0,0|2,0,0]=4 1596 B9R1.2 COc1cc(ccn1)Cl TS03053 [1,1,0,0,0,0|2,0,0]=4 1597 B9R1.2 COc1cc(ccn1)F TS05258 [1,1,0,0,0,0|2,0,0]=4 1598 B9R1.2 COc1cc(ccn1)I TS71184 [1,1,0,0,0,0|2,0,0]=4 1599 B9R1.2 COc1cc(ccn1)N TS02966 [1,1,0,0,0,0|2,0,0]=4 1600 B9R1.2 COc1cc(cnc1)Br TS65932 [1,1,0,0,0,0|2,0,0]=4 1601 B9R1.2 COc1cc(cnc1)Cl TS06905 [1,1,0,0,0,0|2,0,0]=4 1602 B9R1.2 COc1cc(cnc1)I TS25666 [1,1,0,0,0,0|2,0,0]=4 1603 B9R1.2 COc1cc(cnc1)N TS55470 [1,1,0,0,0,0|2,0,0]=4 1604 B9R1.2 COc1cc(cnc1)N TS89352 [1,1,0,0,0,0|2,0,0]=4 1605 B9R1.2 COc1cc(cnc1)O TS55469 [1,1,0,0,0,0|2,0,0]=4 1606 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [1,1,0,0,0,0|2,0,0]=4 1607 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [1,1,0,0,0,0|2,0,0]=4 1608 B9R1.2 COc1cccc(c1)Br TS00028 [1,1,0,0,0,0|1,0,0]=3 1609 B9R1.2 COc1cccc(c1)Cl TS37686 [1,1,0,0,0,0|1,0,0]=3 1610 B9R1.2 COc1cccc(c1)F TS70591 [1,1,0,0,0,0|1,0,0]=3 1611 B9R1.2 COc1cccc(c1)I TS39445 [1,1,0,0,0,0|1,0,0]=3 1612 B9R1.2 COc1cccc(c1)N TS02081 [1,1,0,0,0,0|1,0,0]=3 1613 B9R1.2 COc1cccc(c1)N TS11191 [1,1,0,0,0,0|1,0,0]=3 1614 B9R1.2 COc1cccc(c1)O TS39714 [1,1,0,0,0,0|1,0,0]=3 1615 B9R1.2 COc1cccc(c1)S TS70650 [1,1,0,0,0,0|1,0,0]=3 1616 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [1,1,0,0,0,0|1,0,0]=3 1617 B9R1.2 COc1cccc(n1)Br TS08366 [1,1,0,0,0,0|2,0,0]=4 1618 B9R1.2 COc1cccc(n1)Cl TS55270 [1,1,0,0,0,0|2,0,0]=4 1619 B9R1.2 COc1cccc(n1)I TS56597 [1,1,0,0,0,0|2,0,0]=4 1620 B9R1.2 COc1cccc(n1)O TS05074 [1,1,0,0,0,0|2,0,0]=4 1621 B9R1.2 COc1ccnc(c1)Br TS08328 [1,1,0,0,0,0|2,0,0]=4 1622 B9R1.2 COc1ccnc(c1)Cl TS55226 [1,1,0,0,0,0|2,0,0]=4 1623 B9R1.2 COc1ccnc(c1)N TS47406 [1,1,0,0,0,0|2,0,0]=4 1624 B9R1.2 CSc1cccc(c1)Br TS60340 [1,1,0,0,0,0|1,0,0]=3 1625 B9R1.2 CSc1cccc(c1)Cl TS42003 [1,1,0,0,0,0|1,0,0]=3 1626 B9R1.2 CSc1cccc(c1)F TS60012 [1,1,0,0,0,0|1,0,0]=3 1627 B9R1.2 CSc1cccc(c1)I TS27987 [1,1,0,0,0,0|1,0,0]=3 1628 B9R1.2 CSc1cccc(c1)N TS02674 [1,1,0,0,0,0|1,0,0]=3 1629 B9R1.2 CSc1ccnc(c1)Cl TS11198 [1,1,0,0,0,0|2,0,0]=4 1630 B9R1.2 Cc1cc(cnc1)CCl TS46377 [1,1,0,0,0,0|2,0,0]=4 1631 B9R1.2 Cc1cc(cnc1)CO TS04972 [1,1,0,0,0,0|2,0,0]=4 1632 B9R1.2 Cc1cc(cnc1)OC TS04960 [1,1,0,0,0,0|2,0,0]=4 1633 B9R1.2 Cc1cccc(c1)C#C TS32229 [1,1,0,0,0,0|0,0,2]=4 1634 B9R1.2 Cc1cccc(c1)C#N TS02843 [1,1,0,0,0,0|1,0,1]=4 1635 B9R1.2 Cc1cccc(c1)C=C TS70680 [1,1,0,0,0,0|0,0,2]=4 1636 B9R1.2 Cc1cccc(c1)CBr TS00037 [1,1,0,0,0,0|1,0,0]=3 1637 B9R1.2 Cc1cccc(c1)CCl TS37460 [1,1,0,0,0,0|1,0,0]=3 1638 B9R1.2 Cc1cccc(c1)CN TS04866 [1,1,0,0,0,0|1,0,0]=3 1639 B9R1.2 Cc1cccc(c1)CO TS04903 [1,1,0,0,0,0|1,0,0]=3 1640 B9R1.2 Cc1cccc(c1)CS TS06306 [1,1,0,0,0,0|1,0,0]=3 1641 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [1,1,0,0,0,0|1,0,0]=3 1642 B9R1.2 Cc1cccc(c1)NC TS32467 [1,1,0,0,0,0|1,0,0]=3 1643 B9R1.2 Cc1cccc(c1)NN TS04918 [1,1,0,0,0,0|2,0,0]=4 1644 B9R1.2 Cc1cccc(c1)NN TS41997 [1,1,0,0,0,0|2,0,0]=4 1645 B9R1.2 Cc1cccc(c1)OC TS32509 [1,1,0,0,0,0|1,0,0]=3 1646 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [1,1,0,0,0,0|2,0,0]=4 1647 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [1,1,0,0,0,0|2,0,0]=4 1648 B9R1.2 Cc1cccc(n1)CBr TS30360 [1,1,0,0,0,0|2,0,0]=4 1649 B9R1.2 Cc1cccc(n1)CBr TS48832 [1,1,0,0,0,0|2,0,0]=4 1650 B9R1.2 Cc1cccc(n1)CCl TS46378 [1,1,0,0,0,0|2,0,0]=4 1651 B9R1.2 Cc1cccc(n1)CN TS01962 [1,1,0,0,0,0|2,0,0]=4 1652 B9R1.2 Cc1cccc(n1)CO TS04961 [1,1,0,0,0,0|2,0,0]=4 1653 B9R1.2 Cc1cccc(n1)OC TS00087 [1,1,0,0,0,0|2,0,0]=4 1654 B9R1.2 Cc1ccnc(c1)CN TS04912 [1,1,0,0,0,0|2,0,0]=4 1655 B9R1.2 Cc1ccnc(c1)OC TS04955 [1,1,0,0,0,0|2,0,0]=4 1656 B9R1.2 [C-]#[N+]c1cccc(c1)Br TS14867 [1,1,0,0,0,0|1,0,1]=4 1657 B9R1.2 c1c(cncc1Br)CCl TS26941 [1,1,0,0,0,0|2,0,0]=4 1658 B9R1.2 c1c(cncc1Br)CN TS49021 [1,1,0,0,0,0|2,0,0]=4 1659 B9R1.2 c1c(cncc1Br)CO TS16995 [1,1,0,0,0,0|2,0,0]=4 1660 B9R1.2 c1c(cncc1Cl)CCl TS91325 [1,1,0,0,0,0|2,0,0]=4 1661 B9R1.2 c1c(cncc1Cl)CO TS08050 [1,1,0,0,0,0|2,0,0]=4 1662 B9R1.2 c1c(cncc1F)CCl TS91777 [1,1,0,0,0,0|2,0,0]=4 1663 B9R1.2 c1c(cncc1F)CN TS90364 [1,1,0,0,0,0|2,0,0]=4 1664 B9R1.2 c1c(cncc1F)CO TS86069 [1,1,0,0,0,0|2,0,0]=4 1665 B9R1.2 c1c(cncc1I)CCl TS58052 [1,1,0,0,0,0|2,0,0]=4 1666 B9R1.2 c1c(cncc1I)CO TS56598 [1,1,0,0,0,0|2,0,0]=4 1667 B9R1.2 c1c(cncc1N)CO TS32612 [1,1,0,0,0,0|2,0,0]=4 1668 B9R1.2 c1c[nH]c(=O)cc1CN TS90761 [1,1,0,0,0,0|2,0,0]=4 1669 B9R1.2 c1c[nH]c(=O)cc1CO TS90976 [1,1,0,0,0,0|2,0,0]=4 1670 B9R1.2 c1cc(cc(c1)Br)C#N TS09482 [1,1,0,0,0,0|1,0,1]=4 1671 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [1,1,0,0,0,0|1,0,1]=4 1672 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [1,1,0,0,0,0|1,0,0]=3 1673 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [1,1,0,0,0,0|1,0,0]=3 1674 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [1,1,0,0,0,0|1,0,0]=3 1675 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [1,1,0,0,0,0|1,0,0]=3 1676 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [1,1,0,0,0,0|1,0,0]=3 1677 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [1,1,0,0,0,0|1,0,0]=3 1678 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [1,1,0,0,0,0|2,0,0]=4 1679 B9R1.2 c1cc(cc(c1)Cl)C#N TS00143 [1,1,0,0,0,0|1,0,1]=4 1680 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [1,1,0,0,0,0|1,0,1]=4 1681 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [1,1,0,0,0,0|1,0,0]=3 1682 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [1,1,0,0,0,0|1,0,0]=3 1683 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [1,1,0,0,0,0|1,0,0]=3 1684 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [1,1,0,0,0,0|1,0,0]=3 1685 B9R1.2 c1cc(cc(c1)Cl)[Mg]Br TS21954 [1,1,0,0,0,0|2,0,0]=4 1686 B9R1.2 c1cc(cc(c1)F)C#N TS70592 [1,1,0,0,0,0|1,0,1]=4 1687 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [1,1,0,0,0,0|1,0,1]=4 1688 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [1,1,0,0,0,0|1,0,0]=3 1689 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [1,1,0,0,0,0|1,0,0]=3 1690 B9R1.2 c1cc(cc(c1)F)CN TS39435 [1,1,0,0,0,0|1,0,0]=3 1691 B9R1.2 c1cc(cc(c1)F)CO TS39434 [1,1,0,0,0,0|1,0,0]=3 1692 B9R1.2 c1cc(cc(c1)F)CS TS06688 [1,1,0,0,0,0|1,0,0]=3 1693 B9R1.2 c1cc(cc(c1)I)C#N TS70628 [1,1,0,0,0,0|1,0,1]=4 1694 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [1,1,0,0,0,0|1,0,1]=4 1695 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [1,1,0,0,0,0|1,0,0]=3 1696 B9R1.2 c1cc(cc(c1)I)CN TS53419 [1,1,0,0,0,0|1,0,0]=3 1697 B9R1.2 c1cc(cc(c1)I)CN TS73918 [1,1,0,0,0,0|1,0,0]=3 1698 B9R1.2 c1cc(cc(c1)I)CO TS53549 [1,1,0,0,0,0|1,0,0]=3 1699 B9R1.2 c1cc(cc(c1)N)C#N TS65877 [1,1,0,0,0,0|1,0,1]=4 1700 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [1,1,0,0,0,0|1,0,1]=4 1701 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [1,1,0,0,0,0|1,0,1]=4 1702 B9R1.2 c1cc(cc(c1)N)CN TS32516 [1,1,0,0,0,0|1,0,0]=3 1703 B9R1.2 c1cc(cc(c1)N)CO TS59603 [1,1,0,0,0,0|1,0,0]=3 1704 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [1,1,0,0,0,0|1,0,1]=4 1705 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [1,1,0,0,0,0|1,0,1]=4 1706 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [1,1,0,0,0,0|1,0,0]=3 1707 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [1,1,0,0,0,0|1,0,0]=3 1708 B9R1.2 c1cc(cc(c1)O)CO TS32602 [1,1,0,0,0,0|1,0,0]=3 1709 B9R1.2 c1cc(cc(c1)[Mg]Br)F TS37776 [1,1,0,0,0,0|2,0,0]=4 1710 B9R1.2 c1cc(cc(c1)[Zn+])C#N TS35725 [1,1,0,0,0,0|1,0,1]=4 1711 B9R1.2 c1cc(cn(=O)c1)CO TS05088 [1,1,0,0,0,0|2,0,0]=4 1712 B9R1.2 c1cc(nc(c1)Br)CBr TS28129 [1,1,0,0,0,0|2,0,0]=4 1713 B9R1.2 c1cc(nc(c1)Br)CN TS49016 [1,1,0,0,0,0|2,0,0]=4 1714 B9R1.2 c1cc(nc(c1)Br)CO TS55136 [1,1,0,0,0,0|2,0,0]=4 1715 B9R1.2 c1cc(nc(c1)Cl)CBr TS39094 [1,1,0,0,0,0|2,0,0]=4 1716 B9R1.2 c1cc(nc(c1)Cl)CO TS46565 [1,1,0,0,0,0|2,0,0]=4 1717 B9R1.2 c1cc(nc(c1)Cl)CO TS55567 [1,1,0,0,0,0|2,0,0]=4 1718 B9R1.2 c1cc(nc(c1)I)CO TS25668 [1,1,0,0,0,0|2,0,0]=4 1719 B9R1.2 c1cnc(cc1Br)CN TS39553 [1,1,0,0,0,0|2,0,0]=4 1720 B9R1.2 c1cnc(cc1Br)CN TS87352 [1,1,0,0,0,0|2,0,0]=4 1721 B9R1.2 c1cnc(cc1Br)CO TS08030 [1,1,0,0,0,0|2,0,0]=4 1722 B9R1.2 c1cnc(cc1CCl)N TS37692 [1,1,0,0,0,0|2,0,0]=4 1723 B9R1.2 c1cnc(cc1CN)Cl TS06803 [1,1,0,0,0,0|2,0,0]=4 1724 B9R1.2 c1cnc(cc1CN)N TS03001 [1,1,0,0,0,0|2,0,0]=4 1725 B9R1.2 c1cnc(cc1CO)Br TS00864 [1,1,0,0,0,0|2,0,0]=4 1726 B9R1.2 c1cnc(cc1CO)Cl TS46504 [1,1,0,0,0,0|2,0,0]=4 1727 B9R1.2 c1cnc(cc1CO)F TS36210 [1,1,0,0,0,0|2,0,0]=4 1728 B9R1.2 c1cnc(cc1CO)N TS00819 [1,1,0,0,0,0|2,0,0]=4 1729 B9R1.2 c1cnc(cc1Cl)CN TS37691 [1,1,0,0,0,0|2,0,0]=4 1730 B9R1.2 c1cnc(cc1Cl)CN TS44724 [1,1,0,0,0,0|2,0,0]=4 1731 B9R1.2 c1cnc(cc1Cl)CO TS08035 [1,1,0,0,0,0|2,0,0]=4 1732 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [1,1,0,0,0,0|2,0,0]=4 1733 B9R1.6 B(c1ccccc1)(O)O TS59339 [1,1,0,0,0,0|2,0,0]=4 1734 B9R1.6 C=C(c1ccccc1)Br TS48375 [1,1,0,0,0,0|0,0,2]=4 1735 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [1,1,0,0,0,0|0,0,2]=4 1736 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,1,0,0,0,0|0,0,1]=3 1737 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,1,0,0,0,0|0,0,1]=3 1738 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,1,0,0,0,0|0,0,1]=3 1739 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,1,0,0,0,0|0,0,1]=3 1740 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,1,0,0,0,0|0,0,1]=3 1741 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,1,0,0,0,0|1,0,1]=4 1742 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,1,0,0,0,0|1,0,1]=4 1743 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,1,0,0,0,0|1,0,1]=4 1744 B9R1.6 CC(C)c1ccccn1 TS32479 [1,1,0,0,0,0|1,0,0]=3 1745 B9R1.6 CC(C)c1ccccn1 TS49188 [1,1,0,0,0,0|1,0,0]=3 1746 B9R1.6 CC(C)c1ccncc1 TS09132 [1,1,0,0,0,0|1,0,0]=3 1747 B9R1.6 CC(C)c1cnccn1 TS04911 [1,1,0,0,0,0|2,0,0]=4 1748 B9R1.6 CC(c1ccccc1)Cl TS37453 [1,1,0,0,0,0|0,0,0]=2 1749 B9R1.6 CC(c1ccccc1)N TS55879 [1,1,0,0,0,0|0,0,0]=2 1750 B9R1.6 CC(c1ccccc1)O TS04908 [1,1,0,0,0,0|0,0,0]=2 1751 B9R1.6 CC(c1ccccn1)N TS47025 [1,1,0,0,0,0|1,0,0]=3 1752 B9R1.6 CC(c1ccccn1)N TS59503 [1,1,0,0,0,0|1,0,0]=3 1753 B9R1.6 CC(c1ccccn1)O TS08930 [1,1,0,0,0,0|1,0,0]=3 1754 B9R1.6 CC(c1cccnc1)N TS59573 [1,1,0,0,0,0|1,0,0]=3 1755 B9R1.6 CC(c1ccncc1)N TS51965 [1,1,0,0,0,0|1,0,0]=3 1756 B9R1.6 CC(c1ccncc1)N TS59574 [1,1,0,0,0,0|1,0,0]=3 1757 B9R1.6 CC(c1ccncn1)N TS91641 [1,1,0,0,0,0|2,0,0]=4 1758 B9R1.6 CC(c1ccnnc1)N TS88664 [1,1,0,0,0,0|2,0,0]=4 1759 B9R1.6 CC(c1cnccn1)N TS86731 [1,1,0,0,0,0|2,0,0]=4 1760 B9R1.6 CC(c1cncnc1)N TS88597 [1,1,0,0,0,0|2,0,0]=4 1761 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [1,1,0,0,0,0|2,0,0]=4 1762 B9R1.6 CN(C)c1ccccc1 TS56353 [1,1,0,0,0,0|1,0,0]=3 1763 B9R1.6 CN(C)c1ccccn1 TS04916 [1,1,0,0,0,0|2,0,0]=4 1764 B9R1.6 CN(C)c1cccnc1 TS32521 [1,1,0,0,0,0|2,0,0]=4 1765 B9R1.6 CN(C)c1ccncc1 TS71094 [1,1,0,0,0,0|2,0,0]=4 1766 B9R1.6 CN(C)c1ccncc1 TS79663 [1,1,0,0,0,0|2,0,0]=4 1767 B9R1.6 CN(C)c1ccncc1 TS93097 [1,1,0,0,0,0|2,0,0]=4 1768 B9R1.6 CN(c1ccccc1)N TS46980 [1,1,0,0,0,0|1,0,0]=3 1769 B9R1.6 CP(C)c1ccccc1 TS37178 [1,1,0,0,0,0|1,0,0]=3 1770 B9R1.6 CP(C)c1ccccc1 TS75399 [1,1,0,0,0,0|1,0,0]=3 1771 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [1,1,0,0,0,0|0,0,0]=2 1772 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [1,1,0,0,0,0|0,0,0]=2 1773 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [1,1,0,0,0,0|1,0,0]=3 1774 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [1,1,0,0,0,0|1,0,0]=3 1775 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [1,1,0,0,0,0|1,0,0]=3 1776 B9R1.6 C[C@@H](c1cncnc1)N TS86849 [1,1,0,0,0,0|2,0,0]=4 1777 B9R1.6 C[C@H](c1ccccc1)N TS00310 [1,1,0,0,0,0|0,0,0]=2 1778 B9R1.6 C[C@H](c1ccccc1)N TS29339 [1,1,0,0,0,0|0,0,0]=2 1779 B9R1.6 C[C@H](c1ccccc1)O TS04906 [1,1,0,0,0,0|0,0,0]=2 1780 B9R1.6 C[C@H](c1ccccn1)O TS04976 [1,1,0,0,0,0|1,0,0]=3 1781 B9R1.6 C[C@H](c1cccnc1)O TS04956 [1,1,0,0,0,0|1,0,0]=3 1782 B9R1.6 C[C@H](c1ccncc1)O TS39982 [1,1,0,0,0,0|1,0,0]=3 1783 B9R1.6 C[C@H](c1cncnc1)N TS90168 [1,1,0,0,0,0|2,0,0]=4 1784 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [1,1,0,0,0,0|0,1,0]=3 1785 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [1,1,0,0,0,0|1,0,1]=4 1786 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [1,1,0,0,0,0|1,0,1]=4 1787 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [1,1,0,0,0,0|1,0,1]=4 1788 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,1,0,0,0,0|1,0,1]=4 1789 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,1,0,0,0,0|1,0,1]=4 1790 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,1,0,0,0,0|1,0,1]=4 1791 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,1,0,0,0,0|1,0,1]=4 1792 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,1,0,0,0,0|1,0,1]=4 1793 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,1,0,0,0,0|1,0,1]=4 1794 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,1,0,0,0,0|1,0,1]=4 1795 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,1,0,0,0,0|1,0,1]=4 1796 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,1,0,0,0,0|1,0,1]=4 1797 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,1,0,0,0,0|1,0,1]=4 1798 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,1,0,0,0,0|1,0,1]=4 1799 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,1,0,0,0,0|1,0,1]=4 1800 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,1,0,0,0,0|1,0,1]=4 1801 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,1,0,0,0,0|1,0,1]=4 1802 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [1,1,0,0,0,0|1,0,1]=4 1803 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [1,1,0,0,0,0|1,0,1]=4 1804 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [1,1,0,0,0,0|1,0,0]=3 1805 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [1,1,0,0,0,0|1,0,0]=3 1806 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [1,1,0,0,0,0|2,0,0]=4 1807 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [1,1,0,0,0,0|2,0,0]=4 1808 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [1,1,0,0,0,0|2,0,0]=4 1809 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [1,1,0,0,0,0|2,0,0]=4 1810 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [1,1,0,0,0,0|2,0,0]=4 1811 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [1,1,0,0,0,0|2,0,0]=4 1812 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [1,1,0,0,0,0|2,0,0]=4 1813 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [1,1,0,0,0,0|2,0,0]=4 1814 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [1,1,0,0,0,0|2,0,0]=4 1815 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [1,1,0,0,0,0|1,1,0]=4 1816 B9R1.8 C#CCc1ccccc1 TS32230 [1,1,0,0,0,0|0,0,1]=3 1817 B9R1.8 C=CC[n+]1ccccc1 TS37844 [1,1,0,0,0,0|1,0,1]=4 1818 B9R1.8 C=CCc1ccccc1 TS32347 [1,1,0,0,0,0|0,0,1]=3 1819 B9R1.8 C=CSc1ccccc1 TS06113 [1,1,0,0,0,0|0,0,2]=4 1820 B9R1.8 CC#Cc1ccccc1 TS04599 [1,1,0,0,0,0|0,0,1]=3 1821 B9R1.8 CC=Cc1ccccc1 TS32346 [1,1,0,0,0,0|0,0,1]=3 1822 B9R1.8 CCC[n+]1ccccc1 TS38202 [1,1,0,0,0,0|1,0,0]=3 1823 B9R1.8 CCCc1ccccc1 TS04832 [1,1,0,0,0,0|0,0,0]=2 1824 B9R1.8 CCCc1ccccn1 TS85359 [1,1,0,0,0,0|1,0,0]=3 1825 B9R1.8 CCCc1cnccn1 TS59984 [1,1,0,0,0,0|2,0,0]=4 1826 B9R1.8 CCNc1ccccc1 TS04869 [1,1,0,0,0,0|0,0,0]=2 1827 B9R1.8 CCOc1ccccc1 TS04896 [1,1,0,0,0,0|0,0,0]=2 1828 B9R1.8 CCOc1ccccn1 TS55309 [1,1,0,0,0,0|1,0,0]=3 1829 B9R1.8 CCOc1ccncc1 TS04974 [1,1,0,0,0,0|1,0,0]=3 1830 B9R1.8 CCOc1cnccn1 TS05010 [1,1,0,0,0,0|2,0,0]=4 1831 B9R1.8 CCSc1ccccc1 TS06299 [1,1,0,0,0,0|0,0,0]=2 1832 B9R1.8 CNCc1ccccc1 TS01938 [1,1,0,0,0,0|0,0,0]=2 1833 B9R1.8 CNCc1ccccn1 TS51966 [1,1,0,0,0,0|1,0,0]=3 1834 B9R1.8 CNCc1cccnc1 TS02609 [1,1,0,0,0,0|1,0,0]=3 1835 B9R1.8 CNCc1ccncc1 TS65238 [1,1,0,0,0,0|1,0,0]=3 1836 B9R1.8 CNCc1ccncn1 TS32568 [1,1,0,0,0,0|2,0,0]=4 1837 B9R1.8 CNCc1cnccn1 TS01556 [1,1,0,0,0,0|2,0,0]=4 1838 B9R1.8 CNCc1cncnc1 TS91331 [1,1,0,0,0,0|2,0,0]=4 1839 B9R1.8 CNCc1ncccn1 TS90445 [1,1,0,0,0,0|2,0,0]=4 1840 B9R1.8 CNNc1ccccc1 TS85406 [1,1,0,0,0,0|1,0,0]=3 1841 B9R1.8 COCc1ccccc1 TS04897 [1,1,0,0,0,0|0,0,0]=2 1842 B9R1.8 COCc1ccccn1 TS00518 [1,1,0,0,0,0|1,0,0]=3 1843 B9R1.8 CSCc1ccccc1 TS06309 [1,1,0,0,0,0|0,0,0]=2 1844 B9R1.8 CSSc1ccccc1 TS41708 [1,1,0,0,0,0|1,0,0]=3 1845 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [1,1,0,0,0,0|0,0,1]=3 1846 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [1,1,0,0,0,0|0,0,2]=4 1847 B9R1.8 c1cc(cnc1)CC#N TS04724 [1,1,0,0,0,0|1,0,1]=4 1848 B9R1.8 c1cc(cnc1)CCN TS41995 [1,1,0,0,0,0|1,0,0]=3 1849 B9R1.8 c1cc(cnc1)CCN TS65667 [1,1,0,0,0,0|1,0,0]=3 1850 B9R1.8 c1cc(cnc1)CCO TS39614 [1,1,0,0,0,0|1,0,0]=3 1851 B9R1.8 c1cc(cnc1)CNN TS87066 [1,1,0,0,0,0|2,0,0]=4 1852 B9R1.8 c1cc[n+](cc1)CC#N TS41465 [1,1,0,0,0,0|1,0,1]=4 1853 B9R1.8 c1ccc(cc1)C#CBr TS48021 [1,1,0,0,0,0|0,0,2]=4 1854 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,1,0,0,0,0|0,0,2]=4 1855 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,1,0,0,0,0|0,0,2]=4 1856 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,1,0,0,0,0|0,0,2]=4 1857 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,1,0,0,0,0|1,0,1]=4 1858 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,1,0,0,0,0|1,0,1]=4 1859 B9R1.8 c1ccc(cc1)CC#N TS04678 [1,1,0,0,0,0|0,0,1]=3 1860 B9R1.8 c1ccc(cc1)CCBr TS15419 [1,1,0,0,0,0|0,0,0]=2 1861 B9R1.8 c1ccc(cc1)CCCl TS37454 [1,1,0,0,0,0|0,0,0]=2 1862 B9R1.8 c1ccc(cc1)CCI TS25156 [1,1,0,0,0,0|0,0,0]=2 1863 B9R1.8 c1ccc(cc1)CCN TS22602 [1,1,0,0,0,0|0,0,0]=2 1864 B9R1.8 c1ccc(cc1)CCN TS65627 [1,1,0,0,0,0|0,0,0]=2 1865 B9R1.8 c1ccc(cc1)CCO TS04901 [1,1,0,0,0,0|0,0,0]=2 1866 B9R1.8 c1ccc(cc1)CCS TS06307 [1,1,0,0,0,0|0,0,0]=2 1867 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [1,1,0,0,0,0|0,0,0]=2 1868 B9R1.8 c1ccc(cc1)CNN TS09177 [1,1,0,0,0,0|1,0,0]=3 1869 B9R1.8 c1ccc(cc1)CNN TS21284 [1,1,0,0,0,0|1,0,0]=3 1870 B9R1.8 c1ccc(cc1)CNO TS01934 [1,1,0,0,0,0|1,0,0]=3 1871 B9R1.8 c1ccc(cc1)CNO TS93618 [1,1,0,0,0,0|1,0,0]=3 1872 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [1,1,0,0,0,0|1,0,0]=3 1873 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [1,1,0,0,0,0|1,0,0]=3 1874 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,1,0,0,0,0|1,0,1]=4 1875 B9R1.8 c1ccc(cc1)N=C=S TS06000 [1,1,0,0,0,0|1,0,1]=4 1876 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [1,1,0,0,0,0|2,0,0]=4 1877 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,1,0,0,0,0|1,0,1]=4 1878 B9R1.8 c1ccc(cc1)OC#N TS32392 [1,1,0,0,0,0|1,0,1]=4 1879 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,1,0,0,0,0|1,0,1]=4 1880 B9R1.8 c1ccc(cc1)SCCl TS42004 [1,1,0,0,0,0|1,0,0]=3 1881 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [1,1,0,0,0,0|1,0,1]=4 1882 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [1,1,0,0,0,0|0,1,0]=3 1883 B9R1.8 c1ccnc(c1)CC#N TS04723 [1,1,0,0,0,0|1,0,1]=4 1884 B9R1.8 c1ccnc(c1)CCCl TS37532 [1,1,0,0,0,0|1,0,0]=3 1885 B9R1.8 c1ccnc(c1)CCN TS04914 [1,1,0,0,0,0|1,0,0]=3 1886 B9R1.8 c1ccnc(c1)CCN TS17997 [1,1,0,0,0,0|1,0,0]=3 1887 B9R1.8 c1ccnc(c1)CCO TS04967 [1,1,0,0,0,0|1,0,0]=3 1888 B9R1.8 c1ccnc(c1)CNN TS87756 [1,1,0,0,0,0|2,0,0]=4 1889 B9R1.8 c1cnc(cn1)CCN TS32564 [1,1,0,0,0,0|2,0,0]=4 1890 B9R1.8 c1cnc(cn1)CCS TS37406 [1,1,0,0,0,0|2,0,0]=4 1891 B9R1.8 c1cnccc1CCN TS09522 [1,1,0,0,0,0|1,0,0]=3 1892 B9R1.8 c1cnccc1CCO TS70737 [1,1,0,0,0,0|1,0,0]=3 1893 B9R1.8 c1cnccc1CCS TS06395 [1,1,0,0,0,0|1,0,0]=3 1894 B9R1.8 c1cnccc1CCS TS46022 [1,1,0,0,0,0|1,0,0]=3 1895 B9R1.8 c1cnccc1CNN TS85585 [1,1,0,0,0,0|2,0,0]=4 1896 B9R1.8 c1cncnc1CCN TS86707 [1,1,0,0,0,0|2,0,0]=4 1897 B9R1.3 Cc1c(c(=O)cc[nH]1)O TS05073 [1,1,0,0,0,0|1,1,0]=4 1898 B9R1.3 Cc1c(c(=O)cco1)O TS05135 [1,1,0,0,0,0|1,1,0]=4 1899 B9R1.3 Cc1c(c(ccn1)Cl)Cl TS02536 [1,1,0,0,0,0|2,0,0]=4 1900 B9R1.3 Cc1c(c(ccn1)N)Cl TS06807 [1,1,0,0,0,0|2,0,0]=4 1901 B9R1.3 Cc1c(c(ccn1)N)N TS02446 [1,1,0,0,0,0|2,0,0]=4 1902 B9R1.3 Cc1c(cccc1Br)Br TS00700 [1,1,0,0,0,0|1,0,0]=3 1903 B9R1.3 Cc1c(cccc1Br)Cl TS20047 [1,1,0,0,0,0|1,0,0]=3 1904 B9R1.3 Cc1c(cccc1Br)F TS08362 [1,1,0,0,0,0|1,0,0]=3 1905 B9R1.3 Cc1c(cccc1Br)N TS00799 [1,1,0,0,0,0|1,0,0]=3 1906 B9R1.3 Cc1c(cccc1Cl)Cl TS11353 [1,1,0,0,0,0|1,0,0]=3 1907 B9R1.3 Cc1c(cccc1Cl)F TS02142 [1,1,0,0,0,0|1,0,0]=3 1908 B9R1.3 Cc1c(cccc1Cl)N TS00137 [1,1,0,0,0,0|1,0,0]=3 1909 B9R1.3 Cc1c(cccc1Cl)N TS46375 [1,1,0,0,0,0|1,0,0]=3 1910 B9R1.3 Cc1c(cccc1F)F TS47312 [1,1,0,0,0,0|1,0,0]=3 1911 B9R1.3 Cc1c(cccc1F)N TS70570 [1,1,0,0,0,0|1,0,0]=3 1912 B9R1.3 Cc1c(cccc1F)O TS70572 [1,1,0,0,0,0|0,1,0]=3 1913 B9R1.3 Cc1c(cccc1I)Cl TS65405 [1,1,0,0,0,0|1,0,0]=3 1914 B9R1.3 Cc1c(cccc1I)F TS60285 [1,1,0,0,0,0|1,0,0]=3 1915 B9R1.3 Cc1c(cccc1N)N TS32518 [1,1,0,0,0,0|1,0,0]=3 1916 B9R1.3 Cc1c(cccc1O)N TS02637 [1,1,0,0,0,0|0,1,0]=3 1917 B9R1.3 Cc1c(cccc1O)O TS32599 [1,1,0,0,0,0|0,1,0]=3 1918 B9R1.3 Cc1c(ccnc1Cl)Br TS16933 [1,1,0,0,0,0|2,0,0]=4 1919 B9R1.3 Cc1c(ccnc1Cl)Cl TS00615 [1,1,0,0,0,0|2,0,0]=4 1920 B9R1.3 Cc1c(ccnc1Cl)I TS07713 [1,1,0,0,0,0|2,0,0]=4 1921 B9R1.3 Cc1c(ccnc1F)Br TS16272 [1,1,0,0,0,0|2,0,0]=4 1922 B9R1.3 Cc1c(cncc1Br)Br TS02573 [1,1,0,0,0,0|2,0,0]=4 1923 B9R1.3 Cc1c(cncc1Cl)Cl TS59596 [1,1,0,0,0,0|2,0,0]=4 1924 B9R1.3 Cc1c(nccc1N)C TS32511 [1,1,0,0,0,0|2,0,0]=4 1925 B9R1.3 Cc1cccc([n+]1[O-])N TS05012 [1,1,0,0,0,0|1,1,0]=4 1926 B9R1.3 Cc1cccc(c1Br)C TS47327 [1,1,0,0,0,0|1,0,0]=3 1927 B9R1.3 Cc1cccc(c1Br)Cl TS01772 [1,1,0,0,0,0|1,0,0]=3 1928 B9R1.3 Cc1cccc(c1Br)F TS09120 [1,1,0,0,0,0|1,0,0]=3 1929 B9R1.3 Cc1cccc(c1C)Br TS65899 [1,1,0,0,0,0|1,0,0]=3 1930 B9R1.3 Cc1cccc(c1C)C TS07872 [1,1,0,0,0,0|1,0,0]=3 1931 B9R1.3 Cc1cccc(c1C)Cl TS65291 [1,1,0,0,0,0|1,0,0]=3 1932 B9R1.3 Cc1cccc(c1C)F TS65316 [1,1,0,0,0,0|1,0,0]=3 1933 B9R1.3 Cc1cccc(c1C)I TS25160 [1,1,0,0,0,0|1,0,0]=3 1934 B9R1.3 Cc1cccc(c1C)N TS07902 [1,1,0,0,0,0|1,0,0]=3 1935 B9R1.3 Cc1cccc(c1C)N TS10929 [1,1,0,0,0,0|1,0,0]=3 1936 B9R1.3 Cc1cccc(c1C)O TS07901 [1,1,0,0,0,0|0,1,0]=3 1937 B9R1.3 Cc1cccc(c1C)S TS06305 [1,1,0,0,0,0|0,0,0]=2 1938 B9R1.3 Cc1cccc(c1C)[Zn+] TS55969 [1,1,0,0,0,0|1,0,0]=3 1939 B9R1.3 Cc1cccc(c1Cl)Br TS20048 [1,1,0,0,0,0|1,0,0]=3 1940 B9R1.3 Cc1cccc(c1Cl)C TS37458 [1,1,0,0,0,0|1,0,0]=3 1941 B9R1.3 Cc1cccc(c1Cl)Cl TS11355 [1,1,0,0,0,0|1,0,0]=3 1942 B9R1.3 Cc1cccc(c1F)Br TS65480 [1,1,0,0,0,0|1,0,0]=3 1943 B9R1.3 Cc1cccc(c1F)C TS09256 [1,1,0,0,0,0|1,0,0]=3 1944 B9R1.3 Cc1cccc(c1F)Cl TS22994 [1,1,0,0,0,0|1,0,0]=3 1945 B9R1.3 Cc1cccc(c1F)I TS65047 [1,1,0,0,0,0|1,0,0]=3 1946 B9R1.3 Cc1cccc(c1F)N TS02631 [1,1,0,0,0,0|1,0,0]=3 1947 B9R1.3 Cc1cccc(c1F)O TS08401 [1,1,0,0,0,0|1,0,0]=3 1948 B9R1.3 Cc1cccc(c1I)C TS53266 [1,1,0,0,0,0|1,0,0]=3 1949 B9R1.3 Cc1cccc(c1I)Cl TS65975 [1,1,0,0,0,0|1,0,0]=3 1950 B9R1.3 Cc1cccc(c1I)F TS70566 [1,1,0,0,0,0|1,0,0]=3 1951 B9R1.3 Cc1cccc(c1N)Br TS48835 [1,1,0,0,0,0|1,0,0]=3 1952 B9R1.3 Cc1cccc(c1N)Cl TS00930 [1,1,0,0,0,0|1,0,0]=3 1953 B9R1.3 Cc1cccc(c1N)F TS55366 [1,1,0,0,0,0|1,0,0]=3 1954 B9R1.3 Cc1cccc(c1N)N TS00551 [1,1,0,0,0,0|1,0,0]=3 1955 B9R1.3 Cc1cccc(c1N)O TS47377 [1,1,0,0,0,0|1,0,0]=3 1956 B9R1.3 Cc1cccc(c1O)C TS04899 [1,1,0,0,0,0|0,1,0]=3 1957 B9R1.3 Cc1cccc(c1O)Cl TS37681 [1,1,0,0,0,0|0,1,0]=3 1958 B9R1.3 Cc1cccc(c1O)N TS55527 [1,1,0,0,0,0|0,1,0]=3 1959 B9R1.3 Cc1cccc(c1O)O TS32601 [1,1,0,0,0,0|0,1,0]=3 1960 B9R1.3 Cc1cccc(c1S)C TS06310 [1,1,0,0,0,0|0,0,0]=2 1961 B9R1.3 Cc1cccc(n1=O)C TS04973 [1,1,0,0,0,0|1,1,0]=4 1962 B9R1.3 Cc1cccn(=O)c1C TS04975 [1,1,0,0,0,0|1,1,0]=4 1963 B9R1.3 Cc1ccnc(c1Br)Br TS28128 [1,1,0,0,0,0|2,0,0]=4 1964 B9R1.3 Cc1ccnc(c1Br)Cl TS22883 [1,1,0,0,0,0|2,0,0]=4 1965 B9R1.3 Cc1ccnc(c1Br)F TS16861 [1,1,0,0,0,0|2,0,0]=4 1966 B9R1.3 Cc1ccnc(c1Br)N TS08277 [1,1,0,0,0,0|2,0,0]=4 1967 B9R1.3 Cc1ccnc(c1Br)O TS15903 [1,1,0,0,0,0|2,0,0]=4 1968 B9R1.3 Cc1ccnc(c1Cl)Br TS39095 [1,1,0,0,0,0|2,0,0]=4 1969 B9R1.3 Cc1ccnc(c1Cl)Cl TS11470 [1,1,0,0,0,0|2,0,0]=4 1970 B9R1.3 Cc1ccnc(c1Cl)N TS06802 [1,1,0,0,0,0|2,0,0]=4 1971 B9R1.3 Cc1ccnc(c1F)Br TS09119 [1,1,0,0,0,0|2,0,0]=4 1972 B9R1.3 Cc1ccnc(c1F)Cl TS65041 [1,1,0,0,0,0|2,0,0]=4 1973 B9R1.3 Cc1ccnc(c1I)Br TS07705 [1,1,0,0,0,0|2,0,0]=4 1974 B9R1.3 Cc1ccnc(c1N)Br TS02619 [1,1,0,0,0,0|2,0,0]=4 1975 B9R1.3 Cc1ccnc(c1N)Cl TS06798 [1,1,0,0,0,0|2,0,0]=4 1976 B9R1.3 Cc1ccnc(c1N)F TS55344 [1,1,0,0,0,0|2,0,0]=4 1977 B9R1.3 Cc1ccnc(c1N)N TS71234 [1,1,0,0,0,0|2,0,0]=4 1978 B9R1.3 Cc1ccnc(c1O)Cl TS06902 [1,1,0,0,0,0|1,1,0]=4 1979 B9R1.3 Cc1cncc(c1Br)C TS48834 [1,1,0,0,0,0|2,0,0]=4 1980 B9R1.3 Cc1cncc(c1N)Br TS49015 [1,1,0,0,0,0|2,0,0]=4 1981 B9R1.3 Cc1cncc(c1N)C TS04913 [1,1,0,0,0,0|2,0,0]=4 1982 B9R1.3 Cc1cncc(c1N)Cl TS06804 [1,1,0,0,0,0|2,0,0]=4 1983 B9R1.3 Cc1cncc(c1N)I TS02986 [1,1,0,0,0,0|2,0,0]=4 1984 B9R1.3 Cc1cncc(c1O)F TS05257 [1,1,0,0,0,0|1,1,0]=4 1985 B9R1.3 Cn1cccc(c1=O)Br TS91255 [1,1,0,0,0,0|1,1,0]=4 1986 B9R1.3 Cn1cccc(c1=O)N TS86768 [1,1,0,0,0,0|1,1,0]=4 1987 B9R1.3 c1cc(c(c(c1)Br)Br)Br TS76732 [1,1,0,0,0,0|2,0,0]=4 1988 B9R1.3 c1cc(c(c(c1)Br)Br)O TS63062 [1,1,0,0,0,0|1,1,0]=4 1989 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl TS46906 [1,1,0,0,0,0|2,0,0]=4 1990 B9R1.3 c1cc(c(c(c1)Br)Cl)F TS09267 [1,1,0,0,0,0|2,0,0]=4 1991 B9R1.3 c1cc(c(c(c1)Br)Cl)O TS65078 [1,1,0,0,0,0|1,1,0]=4 1992 B9R1.3 c1cc(c(c(c1)Br)F)Cl TS65970 [1,1,0,0,0,0|2,0,0]=4 1993 B9R1.3 c1cc(c(c(c1)Br)F)F TS46907 [1,1,0,0,0,0|2,0,0]=4 1994 B9R1.3 c1cc(c(c(c1)Br)I)O TS58872 [1,1,0,0,0,0|1,1,0]=4 1995 B9R1.3 c1cc(c(c(c1)Br)N)Br TS00693 [1,1,0,0,0,0|2,0,0]=4 1996 B9R1.3 c1cc(c(c(c1)Br)N)Cl TS39091 [1,1,0,0,0,0|2,0,0]=4 1997 B9R1.3 c1cc(c(c(c1)Br)N)F TS55143 [1,1,0,0,0,0|2,0,0]=4 1998 B9R1.3 c1cc(c(c(c1)Br)N)N TS49020 [1,1,0,0,0,0|2,0,0]=4 1999 B9R1.3 c1cc(c(c(c1)Br)N)O TS08284 [1,1,0,0,0,0|1,1,0]=4 2000 B9R1.3 c1cc(c(c(c1)Br)O)Br TS00698 [1,1,0,0,0,0|1,1,0]=4 2001 B9R1.3 c1cc(c(c(c1)Br)O)F TS60270 [1,1,0,0,0,0|1,1,0]=4 2002 B9R1.3 c1cc(c(c(c1)Br)O)N TS00797 [1,1,0,0,0,0|1,1,0]=4 2003 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl TS46911 [1,1,0,0,0,0|2,0,0]=4 2004 B9R1.3 c1cc(c(c(c1)Cl)Br)F TS55256 [1,1,0,0,0,0|2,0,0]=4 2005 B9R1.3 c1cc(c(c(c1)Cl)Br)O TS43335 [1,1,0,0,0,0|1,1,0]=4 2006 B9R1.3 c1cc(c(c(c1)Cl)Cl)Cl TS48138 [1,1,0,0,0,0|2,0,0]=4 2007 B9R1.3 c1cc(c(c(c1)Cl)Cl)F TS02330 [1,1,0,0,0,0|2,0,0]=4 2008 B9R1.3 c1cc(c(c(c1)Cl)Cl)N TS11474 [1,1,0,0,0,0|2,0,0]=4 2009 B9R1.3 c1cc(c(c(c1)Cl)Cl)O TS07896 [1,1,0,0,0,0|1,1,0]=4 2010 B9R1.3 c1cc(c(c(c1)Cl)Cl)S TS14337 [1,1,0,0,0,0|1,0,0]=3 2011 B9R1.3 c1cc(c(c(c1)Cl)F)Cl TS47301 [1,1,0,0,0,0|2,0,0]=4 2012 B9R1.3 c1cc(c(c(c1)Cl)F)F TS65290 [1,1,0,0,0,0|2,0,0]=4 2013 B9R1.3 c1cc(c(c(c1)Cl)F)N TS65967 [1,1,0,0,0,0|2,0,0]=4 2014 B9R1.3 c1cc(c(c(c1)Cl)F)O TS65486 [1,1,0,0,0,0|1,1,0]=4 2015 B9R1.3 c1cc(c(c(c1)Cl)I)Cl TS59885 [1,1,0,0,0,0|2,0,0]=4 2016 B9R1.3 c1cc(c(c(c1)Cl)I)N TS28513 [1,1,0,0,0,0|2,0,0]=4 2017 B9R1.3 c1cc(c(c(c1)Cl)I)O TS67648 [1,1,0,0,0,0|1,1,0]=4 2018 B9R1.3 c1cc(c(c(c1)Cl)N)Cl TS47295 [1,1,0,0,0,0|2,0,0]=4 2019 B9R1.3 c1cc(c(c(c1)Cl)N)F TS55254 [1,1,0,0,0,0|2,0,0]=4 2020 B9R1.3 c1cc(c(c(c1)Cl)N)S TS11196 [1,1,0,0,0,0|1,0,0]=3 2021 B9R1.3 c1cc(c(c(c1)Cl)O)Cl TS11645 [1,1,0,0,0,0|1,1,0]=4 2022 B9R1.3 c1cc(c(c(c1)Cl)O)F TS55258 [1,1,0,0,0,0|1,1,0]=4 2023 B9R1.3 c1cc(c(c(c1)Cl)S)Cl TS47674 [1,1,0,0,0,0|1,0,0]=3 2024 B9R1.3 c1cc(c(c(c1)F)Br)F TS55067 [1,1,0,0,0,0|2,0,0]=4 2025 B9R1.3 c1cc(c(c(c1)F)Br)N TS08301 [1,1,0,0,0,0|2,0,0]=4 2026 B9R1.3 c1cc(c(c(c1)F)Br)O TS08300 [1,1,0,0,0,0|1,1,0]=4 2027 B9R1.3 c1cc(c(c(c1)F)Cl)F TS85137 [1,1,0,0,0,0|2,0,0]=4 2028 B9R1.3 c1cc(c(c(c1)F)Cl)N TS08397 [1,1,0,0,0,0|2,0,0]=4 2029 B9R1.3 c1cc(c(c(c1)F)Cl)O TS55192 [1,1,0,0,0,0|1,1,0]=4 2030 B9R1.3 c1cc(c(c(c1)F)F)F TS05699 [1,1,0,0,0,0|2,0,0]=4 2031 B9R1.3 c1cc(c(c(c1)F)F)N TS44666 [1,1,0,0,0,0|2,0,0]=4 2032 B9R1.3 c1cc(c(c(c1)F)F)O TS00559 [1,1,0,0,0,0|1,1,0]=4 2033 B9R1.3 c1cc(c(c(c1)F)I)F TS26442 [1,1,0,0,0,0|2,0,0]=4 2034 B9R1.3 c1cc(c(c(c1)F)I)N TS09364 [1,1,0,0,0,0|2,0,0]=4 2035 B9R1.3 c1cc(c(c(c1)F)I)O TS57022 [1,1,0,0,0,0|1,1,0]=4 2036 B9R1.3 c1cc(c(c(c1)F)N)F TS34648 [1,1,0,0,0,0|2,0,0]=4 2037 B9R1.3 c1cc(c(c(c1)F)O)F TS47306 [1,1,0,0,0,0|1,1,0]=4 2038 B9R1.3 c1cc(c(c(c1)F)O)N TS01226 [1,1,0,0,0,0|1,1,0]=4 2039 B9R1.3 c1cc(c(c(c1)F)O)O TS70596 [1,1,0,0,0,0|1,1,0]=4 2040 B9R1.3 c1cc(c(c(c1)I)Br)O TS58871 [1,1,0,0,0,0|1,1,0]=4 2041 B9R1.3 c1cc(c(c(c1)I)Cl)O TS67649 [1,1,0,0,0,0|1,1,0]=4 2042 B9R1.3 c1cc(c(c(c1)I)F)Cl TS65485 [1,1,0,0,0,0|2,0,0]=4 2043 B9R1.3 c1cc(c(c(c1)I)I)O TS78771 [1,1,0,0,0,0|1,1,0]=4 2044 B9R1.3 c1cc(c(c(c1)I)N)Cl TS28514 [1,1,0,0,0,0|2,0,0]=4 2045 B9R1.3 c1cc(c(c(c1)I)N)F TS25993 [1,1,0,0,0,0|2,0,0]=4 2046 B9R1.3 c1cc(c(c(c1)I)N)O TS25664 [1,1,0,0,0,0|1,1,0]=4 2047 B9R1.3 c1cc(c(c(c1)I)O)F TS57023 [1,1,0,0,0,0|1,1,0]=4 2048 B9R1.3 c1cc(c(c(c1)O)Br)O TS85134 [1,1,0,0,0,0|1,1,0]=4 2049 B9R1.3 c1cc(c(c(c1)O)Cl)N TS06903 [1,1,0,0,0,0|1,1,0]=4 2050 B9R1.3 c1cc(c(c(c1)O)Cl)O TS00967 [1,1,0,0,0,0|1,1,0]=4 2051 B9R1.3 c1cc(c(c(c1)O)F)O TS65432 [1,1,0,0,0,0|1,1,0]=4 2052 B9R1.3 c1cc(c(c(c1)O)N)N TS00548 [1,1,0,0,0,0|1,1,0]=4 2053 B9R1.3 c1cc(c(c(c1)O)N)O TS08269 [1,1,0,0,0,0|1,1,0]=4 2054 B9R1.3 c1cc(c(c(c1)O)N)O TS09111 [1,1,0,0,0,0|1,1,0]=4 2055 B9R1.3 c1cc(c(c(c1)O)O)O TS05138 [1,1,0,0,0,0|1,1,0]=4 2056 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [1,1,0,0,0,0|1,1,0]=4 2057 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [1,1,0,0,0,0|1,1,0]=4 2058 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [1,1,0,0,0,0|0,1,0]=3 2059 B9R1.69 Cc1c(cc(cn1)Br)Br TS02571 [1,1,0,0,0,0|2,0,0]=4 2060 B9R1.69 Cc1c(cc(cn1)Br)Cl TS89257 [1,1,0,0,0,0|2,0,0]=4 2061 B9R1.69 Cc1c(cc(cn1)Br)N TS49019 [1,1,0,0,0,0|2,0,0]=4 2062 B9R1.69 Cc1c(cc(cn1)Br)O TS15906 [1,1,0,0,0,0|1,1,0]=4 2063 B9R1.69 Cc1c(cc(cn1)Cl)N TS88641 [1,1,0,0,0,0|2,0,0]=4 2064 B9R1.69 Cc1c(cc(cn1)N)Br TS03226 [1,1,0,0,0,0|2,0,0]=4 2065 B9R1.69 Cc1c(ccc(n1)Br)Br TS47246 [1,1,0,0,0,0|2,0,0]=4 2066 B9R1.69 Cc1c(ccc(n1)Br)F TS51005 [1,1,0,0,0,0|2,0,0]=4 2067 B9R1.69 Cc1c(ccc(n1)Br)F TS85438 [1,1,0,0,0,0|2,0,0]=4 2068 B9R1.69 Cc1c(ccc(n1)Br)N TS71351 [1,1,0,0,0,0|2,0,0]=4 2069 B9R1.69 Cc1c(ccc(n1)Cl)Br TS09467 [1,1,0,0,0,0|2,0,0]=4 2070 B9R1.69 Cc1c(ccc(n1)Cl)F TS55571 [1,1,0,0,0,0|2,0,0]=4 2071 B9R1.69 Cc1c(ccc(n1)Cl)I TS28512 [1,1,0,0,0,0|2,0,0]=4 2072 B9R1.69 Cc1c(ccc(n1)Cl)N TS65867 [1,1,0,0,0,0|2,0,0]=4 2073 B9R1.69 Cc1c(ccc(n1)F)Br TS09469 [1,1,0,0,0,0|2,0,0]=4 2074 B9R1.69 Cc1c(ccc(n1)F)I TS85259 [1,1,0,0,0,0|2,0,0]=4 2075 B9R1.69 Cc1c(ccc(n1)F)N TS36112 [1,1,0,0,0,0|2,0,0]=4 2076 B9R1.69 Cc1c(ccc(n1)N)Br TS47426 [1,1,0,0,0,0|2,0,0]=4 2077 B9R1.69 Cc1c(ccc(n1)N)Cl TS06806 [1,1,0,0,0,0|2,0,0]=4 2078 B9R1.69 Cc1c(ccc(n1)N)F TS09105 [1,1,0,0,0,0|2,0,0]=4 2079 B9R1.69 Cc1c(ccc(n1)N)I TS47434 [1,1,0,0,0,0|2,0,0]=4 2080 B9R1.69 Cc1c(ccc(n1)N)N TS32572 [1,1,0,0,0,0|2,0,0]=4 2081 B9R1.69 Cc1c(ccc(n1)O)Br TS09470 [1,1,0,0,0,0|2,0,0]=4 2082 B9R1.69 Cc1c(ccc(n1)O)N TS32613 [1,1,0,0,0,0|2,0,0]=4 2083 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [1,1,0,0,0,0|2,0,0]=4 2084 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [1,1,0,0,0,0|2,0,0]=4 2085 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [1,1,0,0,0,0|1,0,0]=3 2086 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [1,1,0,0,0,0|1,0,0]=3 2087 B9R1.69 Cc1cc(ccc1Br)F TS85460 [1,1,0,0,0,0|1,0,0]=3 2088 B9R1.69 Cc1cc(ccc1Br)I TS08348 [1,1,0,0,0,0|1,0,0]=3 2089 B9R1.69 Cc1cc(ccc1Br)N TS09584 [1,1,0,0,0,0|1,0,0]=3 2090 B9R1.69 Cc1cc(ccc1Br)O TS09587 [1,1,0,0,0,0|1,0,0]=3 2091 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [1,1,0,0,0,0|1,0,0]=3 2092 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [1,1,0,0,0,0|1,0,0]=3 2093 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [1,1,0,0,0,0|1,0,0]=3 2094 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [1,1,0,0,0,0|1,0,0]=3 2095 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [1,1,0,0,0,0|1,0,0]=3 2096 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [1,1,0,0,0,0|1,0,0]=3 2097 B9R1.69 Cc1cc(ccc1F)Br TS16784 [1,1,0,0,0,0|1,0,0]=3 2098 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [1,1,0,0,0,0|1,0,0]=3 2099 B9R1.69 Cc1cc(ccc1F)F TS22993 [1,1,0,0,0,0|1,0,0]=3 2100 B9R1.69 Cc1cc(ccc1F)I TS65051 [1,1,0,0,0,0|1,0,0]=3 2101 B9R1.69 Cc1cc(ccc1F)N TS36056 [1,1,0,0,0,0|1,0,0]=3 2102 B9R1.69 Cc1cc(ccc1F)O TS71121 [1,1,0,0,0,0|1,0,0]=3 2103 B9R1.69 Cc1cc(ccc1F)S TS06691 [1,1,0,0,0,0|1,0,0]=3 2104 B9R1.69 Cc1cc(ccc1I)Br TS59717 [1,1,0,0,0,0|1,0,0]=3 2105 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [1,1,0,0,0,0|1,0,0]=3 2106 B9R1.69 Cc1cc(ccc1I)F TS71539 [1,1,0,0,0,0|1,0,0]=3 2107 B9R1.69 Cc1cc(ccc1I)I TS78661 [1,1,0,0,0,0|1,0,0]=3 2108 B9R1.69 Cc1cc(ccc1N)Br TS23566 [1,1,0,0,0,0|1,0,0]=3 2109 B9R1.69 Cc1cc(ccc1N)Br TS93925 [1,1,0,0,0,0|1,0,0]=3 2110 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [1,1,0,0,0,0|1,0,0]=3 2111 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [1,1,0,0,0,0|1,0,0]=3 2112 B9R1.69 Cc1cc(ccc1N)I TS71186 [1,1,0,0,0,0|1,0,0]=3 2113 B9R1.69 Cc1cc(ccc1N)N TS00178 [1,1,0,0,0,0|1,0,0]=3 2114 B9R1.69 Cc1cc(ccc1N)N TS17999 [1,1,0,0,0,0|1,0,0]=3 2115 B9R1.69 Cc1cc(ccc1N)N TS23083 [1,1,0,0,0,0|1,0,0]=3 2116 B9R1.69 Cc1cc(ccc1N)O TS02998 [1,1,0,0,0,0|1,0,0]=3 2117 B9R1.69 Cc1cc(ccc1O)Br TS01121 [1,1,0,0,0,0|0,1,0]=3 2118 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [1,1,0,0,0,0|0,1,0]=3 2119 B9R1.69 Cc1cc(ccc1O)F TS09704 [1,1,0,0,0,0|0,1,0]=3 2120 B9R1.69 Cc1cc(ccc1O)I TS53550 [1,1,0,0,0,0|0,1,0]=3 2121 B9R1.69 Cc1cc(ccc1O)N TS08867 [1,1,0,0,0,0|0,1,0]=3 2122 B9R1.69 Cc1cc(ccc1O)O TS32600 [1,1,0,0,0,0|0,1,0]=3 2123 B9R1.69 Cc1cc(ccc1O)S TS70667 [1,1,0,0,0,0|0,1,0]=3 2124 B9R1.69 Cc1cc(cnc1Br)Br TS47243 [1,1,0,0,0,0|2,0,0]=4 2125 B9R1.69 Cc1cc(cnc1Br)Cl TS39092 [1,1,0,0,0,0|2,0,0]=4 2126 B9R1.69 Cc1cc(cnc1Br)F TS16270 [1,1,0,0,0,0|2,0,0]=4 2127 B9R1.69 Cc1cc(cnc1Br)I TS55994 [1,1,0,0,0,0|2,0,0]=4 2128 B9R1.69 Cc1cc(cnc1Br)O TS15904 [1,1,0,0,0,0|2,0,0]=4 2129 B9R1.69 Cc1cc(cnc1Cl)Cl TS47254 [1,1,0,0,0,0|2,0,0]=4 2130 B9R1.69 Cc1cc(cnc1Cl)F TS55240 [1,1,0,0,0,0|2,0,0]=4 2131 B9R1.69 Cc1cc(cnc1Cl)I TS28511 [1,1,0,0,0,0|2,0,0]=4 2132 B9R1.69 Cc1cc(cnc1Cl)N TS71355 [1,1,0,0,0,0|2,0,0]=4 2133 B9R1.69 Cc1cc(cnc1Cl)O TS90895 [1,1,0,0,0,0|2,0,0]=4 2134 B9R1.69 Cc1cc(cnc1F)Br TS71418 [1,1,0,0,0,0|2,0,0]=4 2135 B9R1.69 Cc1cc(cnc1F)Cl TS09836 [1,1,0,0,0,0|2,0,0]=4 2136 B9R1.69 Cc1cc(cnc1F)I TS25995 [1,1,0,0,0,0|2,0,0]=4 2137 B9R1.69 Cc1cc(cnc1F)N TS71359 [1,1,0,0,0,0|2,0,0]=4 2138 B9R1.69 Cc1cc(cnc1I)Br TS55995 [1,1,0,0,0,0|2,0,0]=4 2139 B9R1.69 Cc1cc(cnc1N)Br TS00769 [1,1,0,0,0,0|2,0,0]=4 2140 B9R1.69 Cc1cc(cnc1N)Cl TS47374 [1,1,0,0,0,0|2,0,0]=4 2141 B9R1.69 Cc1cc(cnc1N)F TS03314 [1,1,0,0,0,0|2,0,0]=4 2142 B9R1.69 Cc1cc(cnc1N)I TS47433 [1,1,0,0,0,0|2,0,0]=4 2143 B9R1.69 Cc1cc(cnc1N)N TS32578 [1,1,0,0,0,0|2,0,0]=4 2144 B9R1.69 Cc1cc(cnc1O)Br TS01048 [1,1,0,0,0,0|1,1,0]=4 2145 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [1,1,0,0,0,0|1,1,0]=4 2146 B9R1.69 Cc1cc(cnc1O)I TS25667 [1,1,0,0,0,0|1,1,0]=4 2147 B9R1.69 Cc1cc(cnc1O)N TS05009 [1,1,0,0,0,0|1,1,0]=4 2148 B9R1.69 Cc1cc(ncc1Br)Br TS47245 [1,1,0,0,0,0|2,0,0]=4 2149 B9R1.69 Cc1cc(ncc1Br)Cl TS55229 [1,1,0,0,0,0|2,0,0]=4 2150 B9R1.69 Cc1cc(ncc1Br)F TS85252 [1,1,0,0,0,0|2,0,0]=4 2151 B9R1.69 Cc1cc(ncc1Br)N TS47423 [1,1,0,0,0,0|2,0,0]=4 2152 B9R1.69 Cc1cc(ncc1Br)O TS50643 [1,1,0,0,0,0|2,0,0]=4 2153 B9R1.69 Cc1cc(ncc1Cl)Cl TS11472 [1,1,0,0,0,0|2,0,0]=4 2154 B9R1.69 Cc1cc(ncc1Cl)F TS65149 [1,1,0,0,0,0|2,0,0]=4 2155 B9R1.69 Cc1cc(ncc1Cl)N TS37690 [1,1,0,0,0,0|2,0,0]=4 2156 B9R1.69 Cc1cc(ncc1F)Br TS16269 [1,1,0,0,0,0|2,0,0]=4 2157 B9R1.69 Cc1cc(ncc1F)Cl TS55242 [1,1,0,0,0,0|2,0,0]=4 2158 B9R1.69 Cc1cc(ncc1F)N TS00784 [1,1,0,0,0,0|2,0,0]=4 2159 B9R1.69 Cc1cc(ncc1I)F TS25994 [1,1,0,0,0,0|2,0,0]=4 2160 B9R1.69 Cc1cc(ncc1I)N TS53553 [1,1,0,0,0,0|2,0,0]=4 2161 B9R1.69 Cc1cc(ncc1N)Br TS71350 [1,1,0,0,0,0|2,0,0]=4 2162 B9R1.69 Cc1cc(ncc1N)Cl TS85166 [1,1,0,0,0,0|2,0,0]=4 2163 B9R1.69 Cc1cc(ncc1N)N TS32570 [1,1,0,0,0,0|2,0,0]=4 2164 B9R1.69 Cc1cc[n+](c(c1)C)[O-] TS32562 [1,1,0,0,0,0|1,1,0]=4 2165 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [1,1,0,0,0,0|2,0,0]=4 2166 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [1,1,0,0,0,0|1,0,0]=3 2167 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [1,1,0,0,0,0|2,0,0]=4 2168 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [1,1,0,0,0,0|2,0,0]=4 2169 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [1,1,0,0,0,0|2,0,0]=4 2170 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [1,1,0,0,0,0|2,0,0]=4 2171 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [1,1,0,0,0,0|1,1,0]=4 2172 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [1,1,0,0,0,0|1,0,0]=3 2173 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [1,1,0,0,0,0|1,0,0]=3 2174 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [1,1,0,0,0,0|1,0,0]=3 2175 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [1,1,0,0,0,0|1,0,0]=3 2176 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [1,1,0,0,0,0|1,0,0]=3 2177 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [1,1,0,0,0,0|1,0,0]=3 2178 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [1,1,0,0,0,0|1,0,0]=3 2179 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [1,1,0,0,0,0|1,0,0]=3 2180 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [1,1,0,0,0,0|0,1,0]=3 2181 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [1,1,0,0,0,0|0,0,0]=2 2182 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [1,1,0,0,0,0|0,0,0]=2 2183 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [1,1,0,0,0,0|2,0,0]=4 2184 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [1,1,0,0,0,0|1,0,0]=3 2185 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [1,1,0,0,0,0|2,0,0]=4 2186 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [1,1,0,0,0,0|2,0,0]=4 2187 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [1,1,0,0,0,0|2,0,0]=4 2188 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [1,1,0,0,0,0|2,0,0]=4 2189 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [1,1,0,0,0,0|1,1,0]=4 2190 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [1,1,0,0,0,0|2,0,0]=4 2191 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [1,1,0,0,0,0|1,0,0]=3 2192 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [1,1,0,0,0,0|2,0,0]=4 2193 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [1,1,0,0,0,0|2,0,0]=4 2194 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [1,1,0,0,0,0|2,0,0]=4 2195 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [1,1,0,0,0,0|2,0,0]=4 2196 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [1,1,0,0,0,0|1,0,0]=3 2197 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [1,1,0,0,0,0|2,0,0]=4 2198 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [1,1,0,0,0,0|2,0,0]=4 2199 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [1,1,0,0,0,0|2,0,0]=4 2200 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [1,1,0,0,0,0|2,0,0]=4 2201 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [1,1,0,0,0,0|1,0,0]=3 2202 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [1,1,0,0,0,0|2,0,0]=4 2203 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [1,1,0,0,0,0|2,0,0]=4 2204 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [1,1,0,0,0,0|2,0,0]=4 2205 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [1,1,0,0,0,0|2,0,0]=4 2206 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [1,1,0,0,0,0|1,1,0]=4 2207 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [1,1,0,0,0,0|1,1,0]=4 2208 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [1,1,0,0,0,0|0,1,0]=3 2209 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [1,1,0,0,0,0|1,1,0]=4 2210 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [1,1,0,0,0,0|1,1,0]=4 2211 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [1,1,0,0,0,0|1,1,0]=4 2212 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [1,1,0,0,0,0|1,1,0]=4 2213 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [1,1,0,0,0,0|0,0,0]=2 2214 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [1,1,0,0,0,0|1,0,0]=3 2215 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [1,1,0,0,0,0|1,0,0]=3 2216 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [1,1,0,0,0,0|1,0,0]=3 2217 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [1,1,0,0,0,0|1,0,0]=3 2218 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [1,1,0,0,0,0|2,0,0]=4 2219 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [1,1,0,0,0,0|2,0,0]=4 2220 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [1,1,0,0,0,0|1,1,0]=4 2221 B9R1.69 Cc1ccc(cc1Br)Br TS47196 [1,1,0,0,0,0|1,0,0]=3 2222 B9R1.69 Cc1ccc(cc1Br)Cl TS55095 [1,1,0,0,0,0|1,0,0]=3 2223 B9R1.69 Cc1ccc(cc1Br)I TS08325 [1,1,0,0,0,0|1,0,0]=3 2224 B9R1.69 Cc1ccc(cc1Br)N TS09455 [1,1,0,0,0,0|1,0,0]=3 2225 B9R1.69 Cc1ccc(cc1C)Br TS39736 [1,1,0,0,0,0|1,0,0]=3 2226 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [1,1,0,0,0,0|1,0,0]=3 2227 B9R1.69 Cc1ccc(cc1C)F TS65457 [1,1,0,0,0,0|1,0,0]=3 2228 B9R1.69 Cc1ccc(cc1C)I TS25161 [1,1,0,0,0,0|1,0,0]=3 2229 B9R1.69 Cc1ccc(cc1C)N TS32462 [1,1,0,0,0,0|1,0,0]=3 2230 B9R1.69 Cc1ccc(cc1C)O TS00123 [1,1,0,0,0,0|1,0,0]=3 2231 B9R1.69 Cc1ccc(cc1C)S TS06303 [1,1,0,0,0,0|1,0,0]=3 2232 B9R1.69 Cc1ccc(cc1Cl)Br TS16935 [1,1,0,0,0,0|1,0,0]=3 2233 B9R1.69 Cc1ccc(cc1Cl)Cl TS07911 [1,1,0,0,0,0|1,0,0]=3 2234 B9R1.69 Cc1ccc(cc1Cl)I TS63184 [1,1,0,0,0,0|1,0,0]=3 2235 B9R1.69 Cc1ccc(cc1Cl)N TS37536 [1,1,0,0,0,0|1,0,0]=3 2236 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [1,1,0,0,0,0|1,0,0]=3 2237 B9R1.69 Cc1ccc(cc1F)Br TS16763 [1,1,0,0,0,0|1,0,0]=3 2238 B9R1.69 Cc1ccc(cc1F)Cl TS40275 [1,1,0,0,0,0|1,0,0]=3 2239 B9R1.69 Cc1ccc(cc1F)F TS47222 [1,1,0,0,0,0|1,0,0]=3 2240 B9R1.69 Cc1ccc(cc1F)I TS02163 [1,1,0,0,0,0|1,0,0]=3 2241 B9R1.69 Cc1ccc(cc1F)N TS02755 [1,1,0,0,0,0|1,0,0]=3 2242 B9R1.69 Cc1ccc(cc1F)O TS02758 [1,1,0,0,0,0|1,0,0]=3 2243 B9R1.69 Cc1ccc(cc1F)S TS06690 [1,1,0,0,0,0|1,0,0]=3 2244 B9R1.69 Cc1ccc(cc1F)[Zn+] TS59080 [1,1,0,0,0,0|1,0,0]=3 2245 B9R1.69 Cc1ccc(cc1I)Cl TS63183 [1,1,0,0,0,0|1,0,0]=3 2246 B9R1.69 Cc1ccc(cc1I)F TS60397 [1,1,0,0,0,0|1,0,0]=3 2247 B9R1.69 Cc1ccc(cc1I)N TS53418 [1,1,0,0,0,0|1,0,0]=3 2248 B9R1.69 Cc1ccc(cc1N)Br TS47394 [1,1,0,0,0,0|1,0,0]=3 2249 B9R1.69 Cc1ccc(cc1N)Cl TS46379 [1,1,0,0,0,0|1,0,0]=3 2250 B9R1.69 Cc1ccc(cc1N)Cl TS71504 [1,1,0,0,0,0|1,0,0]=3 2251 B9R1.69 Cc1ccc(cc1N)F TS71546 [1,1,0,0,0,0|1,0,0]=3 2252 B9R1.69 Cc1ccc(cc1N)I TS08884 [1,1,0,0,0,0|1,0,0]=3 2253 B9R1.69 Cc1ccc(cc1N)N TS32517 [1,1,0,0,0,0|1,0,0]=3 2254 B9R1.69 Cc1ccc(cc1N)O TS65470 [1,1,0,0,0,0|1,0,0]=3 2255 B9R1.69 Cc1ccc(cc1O)Br TS09797 [1,1,0,0,0,0|0,1,0]=3 2256 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [1,1,0,0,0,0|0,1,0]=3 2257 B9R1.69 Cc1ccc(cc1O)F TS65133 [1,1,0,0,0,0|0,1,0]=3 2258 B9R1.69 Cc1ccc(cc1O)O TS65139 [1,1,0,0,0,0|0,1,0]=3 2259 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [1,1,0,0,0,0|0,0,0]=2 2260 B9R1.69 Cc1ccc(cc1S)F TS06686 [1,1,0,0,0,0|0,0,0]=2 2261 B9R1.69 Cc1ccc(cn1=O)Br TS09800 [1,1,0,0,0,0|1,1,0]=4 2262 B9R1.69 Cc1ccc(nc1C)C TS04872 [1,1,0,0,0,0|2,0,0]=4 2263 B9R1.69 Cc1ccc(nc1C)C TS26913 [1,1,0,0,0,0|2,0,0]=4 2264 B9R1.69 Cc1ccc(nc1C)N TS04919 [1,1,0,0,0,0|2,0,0]=4 2265 B9R1.69 Cc1ccc(nc1Cl)Cl TS11473 [1,1,0,0,0,0|2,0,0]=4 2266 B9R1.69 Cc1ccc(nc1N)C TS02606 [1,1,0,0,0,0|2,0,0]=4 2267 B9R1.69 Cc1cnc(cc1Cl)Cl TS00611 [1,1,0,0,0,0|2,0,0]=4 2268 B9R1.69 Cc1cnc(cc1I)F TS08417 [1,1,0,0,0,0|2,0,0]=4 2269 B9R1.69 Cn1cc(ccc1=O)Br TS91224 [1,1,0,0,0,0|1,1,0]=4 2270 B9R1.69 Cn1cc(ccc1=O)F TS03324 [1,1,0,0,0,0|1,1,0]=4 2271 B9R1.69 Cn1cc(ccc1=O)N TS87923 [1,1,0,0,0,0|1,1,0]=4 2272 B9R1.69 Cn1ccc(cc1=O)Br TS89656 [1,1,0,0,0,0|1,1,0]=4 2273 B9R1.69 Cn1ccc(cc1=O)N TS85868 [1,1,0,0,0,0|1,1,0]=4 2274 B9R1.69 c1cc(c(cc1Br)Br)F TS65339 [1,1,0,0,0,0|2,0,0]=4 2275 B9R1.69 c1cc(c(cc1Br)Br)N TS28127 [1,1,0,0,0,0|2,0,0]=4 2276 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [1,1,0,0,0,0|1,1,0]=4 2277 B9R1.69 c1cc(c(cc1Br)Cl)Br TS30840 [1,1,0,0,0,0|2,0,0]=4 2278 B9R1.69 c1cc(c(cc1Br)Cl)Cl TS60379 [1,1,0,0,0,0|2,0,0]=4 2279 B9R1.69 c1cc(c(cc1Br)Cl)F TS16928 [1,1,0,0,0,0|2,0,0]=4 2280 B9R1.69 c1cc(c(cc1Br)Cl)I TS00005 [1,1,0,0,0,0|2,0,0]=4 2281 B9R1.69 c1cc(c(cc1Br)Cl)N TS16930 [1,1,0,0,0,0|2,0,0]=4 2282 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [1,1,0,0,0,0|1,1,0]=4 2283 B9R1.69 c1cc(c(cc1Br)F)Cl TS08877 [1,1,0,0,0,0|2,0,0]=4 2284 B9R1.69 c1cc(c(cc1Br)F)F TS17594 [1,1,0,0,0,0|2,0,0]=4 2285 B9R1.69 c1cc(c(cc1Br)F)I TS16936 [1,1,0,0,0,0|2,0,0]=4 2286 B9R1.69 c1cc(c(cc1Br)F)N TS16937 [1,1,0,0,0,0|2,0,0]=4 2287 B9R1.69 c1cc(c(cc1Br)F)N TS30908 [1,1,0,0,0,0|2,0,0]=4 2288 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [1,1,0,0,0,0|1,1,0]=4 2289 B9R1.69 c1cc(c(cc1Br)I)Br TS65341 [1,1,0,0,0,0|2,0,0]=4 2290 B9R1.69 c1cc(c(cc1Br)I)F TS39503 [1,1,0,0,0,0|2,0,0]=4 2291 B9R1.69 c1cc(c(cc1Br)I)I TS81371 [1,1,0,0,0,0|2,0,0]=4 2292 B9R1.69 c1cc(c(cc1Br)I)N TS93998 [1,1,0,0,0,0|2,0,0]=4 2293 B9R1.69 c1cc(c(cc1Br)N)Br TS47330 [1,1,0,0,0,0|2,0,0]=4 2294 B9R1.69 c1cc(c(cc1Br)N)Cl TS00908 [1,1,0,0,0,0|2,0,0]=4 2295 B9R1.69 c1cc(c(cc1Br)N)F TS51004 [1,1,0,0,0,0|2,0,0]=4 2296 B9R1.69 c1cc(c(cc1Br)N)N TS09591 [1,1,0,0,0,0|2,0,0]=4 2297 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [1,1,0,0,0,0|1,1,0]=4 2298 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [1,1,0,0,0,0|1,1,0]=4 2299 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [1,1,0,0,0,0|1,1,0]=4 2300 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [1,1,0,0,0,0|1,1,0]=4 2301 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [1,1,0,0,0,0|1,1,0]=4 2302 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [1,1,0,0,0,0|1,1,0]=4 2303 B9R1.69 c1cc(c(cc1Br)S)N TS38531 [1,1,0,0,0,0|1,0,0]=3 2304 B9R1.69 c1cc(c(cc1Cl)Br)Cl TS52251 [1,1,0,0,0,0|2,0,0]=4 2305 B9R1.69 c1cc(c(cc1Cl)Br)F TS09446 [1,1,0,0,0,0|2,0,0]=4 2306 B9R1.69 c1cc(c(cc1Cl)Br)I TS32903 [1,1,0,0,0,0|2,0,0]=4 2307 B9R1.69 c1cc(c(cc1Cl)Br)N TS39093 [1,1,0,0,0,0|2,0,0]=4 2308 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [1,1,0,0,0,0|1,1,0]=4 2309 B9R1.69 c1cc(c(cc1Cl)Cl)Br TS32864 [1,1,0,0,0,0|2,0,0]=4 2310 B9R1.69 c1cc(c(cc1Cl)Cl)Cl TS48137 [1,1,0,0,0,0|2,0,0]=4 2311 B9R1.69 c1cc(c(cc1Cl)Cl)F TS42843 [1,1,0,0,0,0|2,0,0]=4 2312 B9R1.69 c1cc(c(cc1Cl)Cl)I TS00600 [1,1,0,0,0,0|2,0,0]=4 2313 B9R1.69 c1cc(c(cc1Cl)Cl)N TS11477 [1,1,0,0,0,0|2,0,0]=4 2314 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [1,1,0,0,0,0|1,1,0]=4 2315 B9R1.69 c1cc(c(cc1Cl)Cl)S TS14336 [1,1,0,0,0,0|1,0,0]=3 2316 B9R1.69 c1cc(c(cc1Cl)F)Br TS00411 [1,1,0,0,0,0|2,0,0]=4 2317 B9R1.69 c1cc(c(cc1Cl)F)Cl TS02132 [1,1,0,0,0,0|2,0,0]=4 2318 B9R1.69 c1cc(c(cc1Cl)F)F TS40699 [1,1,0,0,0,0|2,0,0]=4 2319 B9R1.69 c1cc(c(cc1Cl)F)I TS67911 [1,1,0,0,0,0|2,0,0]=4 2320 B9R1.69 c1cc(c(cc1Cl)F)N TS03038 [1,1,0,0,0,0|2,0,0]=4 2321 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [1,1,0,0,0,0|1,1,0]=4 2322 B9R1.69 c1cc(c(cc1Cl)I)Cl TS33453 [1,1,0,0,0,0|2,0,0]=4 2323 B9R1.69 c1cc(c(cc1Cl)I)F TS67910 [1,1,0,0,0,0|2,0,0]=4 2324 B9R1.69 c1cc(c(cc1Cl)I)N TS03048 [1,1,0,0,0,0|2,0,0]=4 2325 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [1,1,0,0,0,0|1,1,0]=4 2326 B9R1.69 c1cc(c(cc1Cl)N)Br TS55117 [1,1,0,0,0,0|2,0,0]=4 2327 B9R1.69 c1cc(c(cc1Cl)N)Cl TS11478 [1,1,0,0,0,0|2,0,0]=4 2328 B9R1.69 c1cc(c(cc1Cl)N)F TS09838 [1,1,0,0,0,0|2,0,0]=4 2329 B9R1.69 c1cc(c(cc1Cl)N)I TS07823 [1,1,0,0,0,0|2,0,0]=4 2330 B9R1.69 c1cc(c(cc1Cl)N)N TS09680 [1,1,0,0,0,0|2,0,0]=4 2331 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [1,1,0,0,0,0|1,1,0]=4 2332 B9R1.69 c1cc(c(cc1Cl)N)S TS11197 [1,1,0,0,0,0|1,0,0]=3 2333 B9R1.69 c1cc(c(cc1Cl)N)S TS53595 [1,1,0,0,0,0|1,0,0]=3 2334 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [1,1,0,0,0,0|1,1,0]=4 2335 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [1,1,0,0,0,0|1,1,0]=4 2336 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [1,1,0,0,0,0|1,1,0]=4 2337 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [1,1,0,0,0,0|1,1,0]=4 2338 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [1,1,0,0,0,0|1,1,0]=4 2339 B9R1.69 c1cc(c(cc1Cl)S)Cl TS47675 [1,1,0,0,0,0|1,0,0]=3 2340 B9R1.69 c1cc(c(cc1Cl)S)N TS11199 [1,1,0,0,0,0|1,0,0]=3 2341 B9R1.69 c1cc(c(cc1F)Br)Br TS65271 [1,1,0,0,0,0|2,0,0]=4 2342 B9R1.69 c1cc(c(cc1F)Br)Cl TS09284 [1,1,0,0,0,0|2,0,0]=4 2343 B9R1.69 c1cc(c(cc1F)Br)F TS55068 [1,1,0,0,0,0|2,0,0]=4 2344 B9R1.69 c1cc(c(cc1F)Br)I TS08319 [1,1,0,0,0,0|2,0,0]=4 2345 B9R1.69 c1cc(c(cc1F)Br)N TS08968 [1,1,0,0,0,0|2,0,0]=4 2346 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [1,1,0,0,0,0|1,1,0]=4 2347 B9R1.69 c1cc(c(cc1F)Cl)Br TS20790 [1,1,0,0,0,0|2,0,0]=4 2348 B9R1.69 c1cc(c(cc1F)Cl)Cl TS60315 [1,1,0,0,0,0|2,0,0]=4 2349 B9R1.69 c1cc(c(cc1F)Cl)F TS40700 [1,1,0,0,0,0|2,0,0]=4 2350 B9R1.69 c1cc(c(cc1F)Cl)I TS67913 [1,1,0,0,0,0|2,0,0]=4 2351 B9R1.69 c1cc(c(cc1F)Cl)N TS00883 [1,1,0,0,0,0|2,0,0]=4 2352 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [1,1,0,0,0,0|1,1,0]=4 2353 B9R1.69 c1cc(c(cc1F)Cl)S TS11629 [1,1,0,0,0,0|1,0,0]=3 2354 B9R1.69 c1cc(c(cc1F)F)Br TS02129 [1,1,0,0,0,0|2,0,0]=4 2355 B9R1.69 c1cc(c(cc1F)F)Cl TS40698 [1,1,0,0,0,0|2,0,0]=4 2356 B9R1.69 c1cc(c(cc1F)F)F TS46768 [1,1,0,0,0,0|2,0,0]=4 2357 B9R1.69 c1cc(c(cc1F)F)I TS26444 [1,1,0,0,0,0|2,0,0]=4 2358 B9R1.69 c1cc(c(cc1F)F)N TS00627 [1,1,0,0,0,0|2,0,0]=4 2359 B9R1.69 c1cc(c(cc1F)F)O TS00636 [1,1,0,0,0,0|1,1,0]=4 2360 B9R1.69 c1cc(c(cc1F)F)S TS07912 [1,1,0,0,0,0|1,0,0]=3 2361 B9R1.69 c1cc(c(cc1F)I)Br TS65383 [1,1,0,0,0,0|2,0,0]=4 2362 B9R1.69 c1cc(c(cc1F)I)Cl TS67912 [1,1,0,0,0,0|2,0,0]=4 2363 B9R1.69 c1cc(c(cc1F)I)F TS26443 [1,1,0,0,0,0|2,0,0]=4 2364 B9R1.69 c1cc(c(cc1F)I)I TS64595 [1,1,0,0,0,0|2,0,0]=4 2365 B9R1.69 c1cc(c(cc1F)I)N TS09698 [1,1,0,0,0,0|2,0,0]=4 2366 B9R1.69 c1cc(c(cc1F)N)Br TS16271 [1,1,0,0,0,0|2,0,0]=4 2367 B9R1.69 c1cc(c(cc1F)N)Cl TS55243 [1,1,0,0,0,0|2,0,0]=4 2368 B9R1.69 c1cc(c(cc1F)N)F TS00672 [1,1,0,0,0,0|2,0,0]=4 2369 B9R1.69 c1cc(c(cc1F)N)I TS07832 [1,1,0,0,0,0|2,0,0]=4 2370 B9R1.69 c1cc(c(cc1F)N)N TS16670 [1,1,0,0,0,0|2,0,0]=4 2371 B9R1.69 c1cc(c(cc1F)N)O TS00753 [1,1,0,0,0,0|1,1,0]=4 2372 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [1,1,0,0,0,0|1,1,0]=4 2373 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [1,1,0,0,0,0|1,1,0]=4 2374 B9R1.69 c1cc(c(cc1F)O)F TS36449 [1,1,0,0,0,0|1,1,0]=4 2375 B9R1.69 c1cc(c(cc1F)O)N TS36211 [1,1,0,0,0,0|1,1,0]=4 2376 B9R1.69 c1cc(c(cc1F)O)O TS39506 [1,1,0,0,0,0|1,1,0]=4 2377 B9R1.69 c1cc(c(cc1F)S)F TS07211 [1,1,0,0,0,0|1,0,0]=3 2378 B9R1.69 c1cc(c(cc1I)Br)F TS59948 [1,1,0,0,0,0|2,0,0]=4 2379 B9R1.69 c1cc(c(cc1I)Cl)Br TS00016 [1,1,0,0,0,0|2,0,0]=4 2380 B9R1.69 c1cc(c(cc1I)Cl)Cl TS65447 [1,1,0,0,0,0|2,0,0]=4 2381 B9R1.69 c1cc(c(cc1I)Cl)F TS67914 [1,1,0,0,0,0|2,0,0]=4 2382 B9R1.69 c1cc(c(cc1I)Cl)I TS79712 [1,1,0,0,0,0|2,0,0]=4 2383 B9R1.69 c1cc(c(cc1I)Cl)N TS09275 [1,1,0,0,0,0|2,0,0]=4 2384 B9R1.69 c1cc(c(cc1I)F)Br TS46915 [1,1,0,0,0,0|2,0,0]=4 2385 B9R1.69 c1cc(c(cc1I)F)Cl TS67909 [1,1,0,0,0,0|2,0,0]=4 2386 B9R1.69 c1cc(c(cc1I)F)F TS59549 [1,1,0,0,0,0|2,0,0]=4 2387 B9R1.69 c1cc(c(cc1I)F)I TS65285 [1,1,0,0,0,0|2,0,0]=4 2388 B9R1.69 c1cc(c(cc1I)F)N TS09293 [1,1,0,0,0,0|2,0,0]=4 2389 B9R1.69 c1cc(c(cc1I)I)I TS82497 [1,1,0,0,0,0|2,0,0]=4 2390 B9R1.69 c1cc(c(cc1I)I)N TS64466 [1,1,0,0,0,0|2,0,0]=4 2391 B9R1.69 c1cc(c(cc1I)N)F TS25996 [1,1,0,0,0,0|2,0,0]=4 2392 B9R1.69 c1cc(c(cc1I)N)N TS71178 [1,1,0,0,0,0|2,0,0]=4 2393 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [1,1,0,0,0,0|1,1,0]=4 2394 B9R1.69 c1cc(c(cc1N)Br)F TS65920 [1,1,0,0,0,0|2,0,0]=4 2395 B9R1.69 c1cc(c(cc1N)Br)N TS55152 [1,1,0,0,0,0|2,0,0]=4 2396 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [1,1,0,0,0,0|1,1,0]=4 2397 B9R1.69 c1cc(c(cc1N)Cl)Br TS09570 [1,1,0,0,0,0|2,0,0]=4 2398 B9R1.69 c1cc(c(cc1N)Cl)Cl TS59994 [1,1,0,0,0,0|2,0,0]=4 2399 B9R1.69 c1cc(c(cc1N)Cl)F TS00141 [1,1,0,0,0,0|2,0,0]=4 2400 B9R1.69 c1cc(c(cc1N)Cl)I TS60348 [1,1,0,0,0,0|2,0,0]=4 2401 B9R1.69 c1cc(c(cc1N)Cl)N TS06797 [1,1,0,0,0,0|2,0,0]=4 2402 B9R1.69 c1cc(c(cc1N)Cl)N TS44726 [1,1,0,0,0,0|2,0,0]=4 2403 B9R1.69 c1cc(c(cc1N)Cl)N TS47670 [1,1,0,0,0,0|2,0,0]=4 2404 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [1,1,0,0,0,0|1,1,0]=4 2405 B9R1.69 c1cc(c(cc1N)F)Br TS09574 [1,1,0,0,0,0|2,0,0]=4 2406 B9R1.69 c1cc(c(cc1N)F)Cl TS02746 [1,1,0,0,0,0|2,0,0]=4 2407 B9R1.69 c1cc(c(cc1N)F)F TS65749 [1,1,0,0,0,0|2,0,0]=4 2408 B9R1.69 c1cc(c(cc1N)F)I TS02749 [1,1,0,0,0,0|2,0,0]=4 2409 B9R1.69 c1cc(c(cc1N)F)O TS02963 [1,1,0,0,0,0|1,1,0]=4 2410 B9R1.69 c1cc(c(cc1N)I)N TS01065 [1,1,0,0,0,0|2,0,0]=4 2411 B9R1.69 c1cc(c(cc1N)I)O TS25670 [1,1,0,0,0,0|1,1,0]=4 2412 B9R1.69 c1cc(c(cc1N)N)Cl TS37694 [1,1,0,0,0,0|2,0,0]=4 2413 B9R1.69 c1cc(c(cc1N)N)F TS65337 [1,1,0,0,0,0|2,0,0]=4 2414 B9R1.69 c1cc(c(cc1N)N)I TS53551 [1,1,0,0,0,0|2,0,0]=4 2415 B9R1.69 c1cc(c(cc1N)N)N TS00347 [1,1,0,0,0,0|2,0,0]=4 2416 B9R1.69 c1cc(c(cc1N)N)O TS53804 [1,1,0,0,0,0|1,1,0]=4 2417 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [1,1,0,0,0,0|1,1,0]=4 2418 B9R1.69 c1cc(c(cc1N)O)O TS20087 [1,1,0,0,0,0|1,1,0]=4 2419 B9R1.69 c1cc(c(cc1O)Br)Cl TS43334 [1,1,0,0,0,0|2,0,0]=4 2420 B9R1.69 c1cc(c(cc1O)Br)F TS09448 [1,1,0,0,0,0|2,0,0]=4 2421 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [1,1,0,0,0,0|1,1,0]=4 2422 B9R1.69 c1cc(c(cc1O)Cl)Br TS59607 [1,1,0,0,0,0|2,0,0]=4 2423 B9R1.69 c1cc(c(cc1O)Cl)Cl TS11647 [1,1,0,0,0,0|2,0,0]=4 2424 B9R1.69 c1cc(c(cc1O)Cl)F TS60346 [1,1,0,0,0,0|2,0,0]=4 2425 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [1,1,0,0,0,0|1,1,0]=4 2426 B9R1.69 c1cc(c(cc1O)F)Br TS09579 [1,1,0,0,0,0|2,0,0]=4 2427 B9R1.69 c1cc(c(cc1O)F)Cl TS09636 [1,1,0,0,0,0|2,0,0]=4 2428 B9R1.69 c1cc(c(cc1O)F)F TS60320 [1,1,0,0,0,0|2,0,0]=4 2429 B9R1.69 c1cc(c(cc1O)F)N TS42650 [1,1,0,0,0,0|2,0,0]=4 2430 B9R1.69 c1cc(c(cc1O)F)N TS70881 [1,1,0,0,0,0|2,0,0]=4 2431 B9R1.69 c1cc(c(cc1O)F)O TS85396 [1,1,0,0,0,0|1,1,0]=4 2432 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [1,1,0,0,0,0|2,0,0]=4 2433 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [1,1,0,0,0,0|2,0,0]=4 2434 B9R1.69 c1cc(c(cc1O)N)F TS65858 [1,1,0,0,0,0|2,0,0]=4 2435 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [1,1,0,0,0,0|1,1,0]=4 2436 B9R1.69 c1cc(c(cc1O)O)F TS71140 [1,1,0,0,0,0|1,1,0]=4 2437 B9R1.69 c1cc(c(cc1O)O)N TS42356 [1,1,0,0,0,0|1,1,0]=4 2438 B9R1.69 c1cc(c(cc1O)O)O TS05134 [1,1,0,0,0,0|1,1,0]=4 2439 B9R1.69 c1cc(c(cc1S)Cl)Cl TS14335 [1,1,0,0,0,0|2,0,0]=4 2440 B9R1.69 c1cc(c(cc1S)Cl)F TS07744 [1,1,0,0,0,0|2,0,0]=4 2441 B9R1.69 c1cc(c(cc1S)F)F TS40406 [1,1,0,0,0,0|2,0,0]=4 2442 B9R1.69 c1cc(c(cc1S)F)N TS40078 [1,1,0,0,0,0|2,0,0]=4 2443 B9R1.69 c1cc(c(cc1S)S)Cl TS46207 [1,1,0,0,0,0|1,0,0]=3 2444 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl TS64119 [1,1,0,0,0,0|2,0,0]=4 2445 B9R1.69 c1cc(c(cc1[Zn+])Cl)F TS61674 [1,1,0,0,0,0|2,0,0]=4 2446 B9R1.69 c1cc(c(cc1[Zn+])F)Cl TS61673 [1,1,0,0,0,0|2,0,0]=4 2447 B9R1.27 CCN1C(=O)C=CC1=O TS05067 [0,1,0,0,1,0|1,1,0]=4 2448 B9R1.27 CCc1c(c[nH]c1C)C TS32587 [0,1,0,0,1,0|2,0,0]=4 2449 B9R1.33 CNCc1cccn1C TS36015 [0,1,0,0,1,0|2,0,0]=4 2450 B9R1.33 Cc1ccsc1CNC TS06621 [0,1,0,0,1,0|2,0,0]=4 2451 B11R1.391 COc1ccc(ccc1=O)Br TS44632 [0,1,0,0,0,1|1,1,0]=4 2452 B11R1.8 COc1cc(cc(c1Cl)F)F TS14300 [0,2,0,0,0,0|2,0,0]=4 2453 B11R1.8 COc1cc(cc(c1F)F)Br TS50250 [0,2,0,0,0,0|2,0,0]=4 2454 B11R1.8 Cc1cc(c(c(c1)OC)C)C TS09917 [0,2,0,0,0,0|2,0,0]=4 2455 B11R1.8 Cc1cc(cc(c1I)OC)Cl TS54569 [0,2,0,0,0,0|2,0,0]=4 2456 B11R1.8 Cc1cc(cc(c1O)OC)Br TS86158 [0,2,0,0,0,0|1,1,0]=4 2457 B11R1.8 c1c(cc(c(c1CBr)F)F)F TS65308 [0,2,0,0,0,0|2,0,0]=4 2458 B11R1.8 c1c(cc(c(c1CBr)O)Br)Br TS64454 [0,2,0,0,0,0|1,1,0]=4 2459 B11R1.8 c1c(cc(c(c1CN)F)F)F TS65307 [0,2,0,0,0,0|2,0,0]=4 2460 B11R1.8 c1c(cc(c(c1CO)Cl)Cl)Cl TS21189 [0,2,0,0,0,0|2,0,0]=4 2461 B11R1.8 c1c(cc(c(c1CO)N)Br)Br TS34269 [0,2,0,0,0,0|2,0,0]=4 2462 B11R1.8 c1c(cc(c(c1CO)O)Br)Br TS34374 [0,2,0,0,0,0|1,1,0]=4 2463 B11R1.8 c1c(cc(c(c1CO)O)Cl)Cl TS17606 [0,2,0,0,0,0|1,1,0]=4 2464 B11R1.13 C=CCc1cccc(c1O)Cl TS44953 [0,2,0,0,0,0|0,1,1]=4 2465 B11R1.13 CCNc1cccc(c1C)C TS40772 [0,2,0,0,0,0|1,0,0]=3 2466 B11R1.13 CCNc1cccc(c1Cl)Cl TS51011 [0,2,0,0,0,0|1,0,0]=3 2467 B11R1.13 CCOc1cccc(c1F)F TS59507 [0,2,0,0,0,0|1,0,0]=3 2468 B11R1.13 Cc1cccc(c1C)CC#N TS07113 [0,2,0,0,0,0|1,0,1]=4 2469 B11R1.13 Cc1cccc(c1O)CC=C TS07465 [0,2,0,0,0,0|0,1,1]=4 2470 B11R1.13 c1cc(c(c(c1)Cl)Cl)CC#N TS48825 [0,2,0,0,0,0|1,0,1]=4 2471 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51010 [0,2,0,0,0,0|1,0,0]=3 2472 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51019 [0,2,0,0,0,0|1,0,0]=3 2473 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCO TS17227 [0,2,0,0,0,0|1,0,0]=3 2474 B11R1.13 c1cc(c(c(c1)Cl)F)CC#N TS65487 [0,2,0,0,0,0|1,0,1]=4 2475 B11R1.13 c1cc(c(c(c1)F)F)CC#N TS02341 [0,2,0,0,0,0|1,0,1]=4 2476 B11R1.13 c1cc(c(c(c1)F)F)CCO TS10940 [0,2,0,0,0,0|1,0,0]=3 2477 B11R1.72 COc1c(ccc(c1Cl)Cl)Cl TS21188 [0,2,0,0,0,0|2,0,0]=4 2478 B11R1.72 COc1c(ccc(c1Cl)F)F TS65393 [0,2,0,0,0,0|2,0,0]=4 2479 B11R1.72 COc1c(ccc(c1F)Cl)F TS14299 [0,2,0,0,0,0|2,0,0]=4 2480 B11R1.72 COc1c(ccc(c1F)F)F TS65313 [0,2,0,0,0,0|2,0,0]=4 2481 B11R1.72 COc1c(ccc(c1F)F)N TS65748 [0,2,0,0,0,0|2,0,0]=4 2482 B11R1.72 Cc1ccc(c(c1Cl)CBr)F TS56989 [0,2,0,0,0,0|2,0,0]=4 2483 B11R1.72 Cc1ccc(c(c1Cl)CN)F TS13419 [0,2,0,0,0,0|2,0,0]=4 2484 B11R1.72 Cc1ccc(c(c1Cl)CO)F TS13584 [0,2,0,0,0,0|2,0,0]=4 2485 B11R1.72 Cc1ccc(c(c1Cl)OC)F TS13599 [0,2,0,0,0,0|2,0,0]=4 2486 B11R1.72 Cc1ccc(c(c1F)CBr)F TS65357 [0,2,0,0,0,0|2,0,0]=4 2487 B11R1.72 Cc1ccc(c(c1F)CN)F TS41755 [0,2,0,0,0,0|2,0,0]=4 2488 B11R1.72 Cc1ccc(c(c1F)CO)Cl TS13595 [0,2,0,0,0,0|2,0,0]=4 2489 B11R1.72 Cc1ccc(c(c1F)OC)Cl TS13588 [0,2,0,0,0,0|2,0,0]=4 2490 B11R1.72 Cc1ccc(c(c1F)OC)F TS10933 [0,2,0,0,0,0|2,0,0]=4 2491 B11R1.72 c1cc(c(c(c1F)CBr)Cl)F TS65395 [0,2,0,0,0,0|2,0,0]=4 2492 B11R1.72 c1cc(c(c(c1F)CBr)F)Cl TS26733 [0,2,0,0,0,0|2,0,0]=4 2493 B11R1.72 c1cc(c(c(c1F)CBr)F)F TS02324 [0,2,0,0,0,0|2,0,0]=4 2494 B11R1.72 c1cc(c(c(c1F)CN)Cl)F TS46350 [0,2,0,0,0,0|2,0,0]=4 2495 B11R1.72 c1cc(c(c(c1F)CN)F)Cl TS09347 [0,2,0,0,0,0|2,0,0]=4 2496 B11R1.72 c1cc(c(c(c1F)CN)F)F TS02323 [0,2,0,0,0,0|2,0,0]=4 2497 B11R1.72 c1cc(c(c(c1F)CO)Cl)F TS14302 [0,2,0,0,0,0|2,0,0]=4 2498 B11R1.72 c1cc(c(c(c1F)CO)F)Cl TS14301 [0,2,0,0,0,0|2,0,0]=4 2499 B11R1.72 c1cc(c(c(c1F)CO)F)F TS42386 [0,2,0,0,0,0|2,0,0]=4 2500 B11R1.72 c1cc(c(c(c1N)CN)Cl)Cl TS51242 [0,2,0,0,0,0|2,0,0]=4 2501 B11R1.159 CC(=O)c1cccc(c1Cl)Cl TS50849 [0,2,0,0,0,0|1,0,1]=4 2502 B11R1.159 CC(=O)c1cccc(c1F)Br TS08677 [0,2,0,0,0,0|1,0,1]=4 2503 B11R1.159 CC(=O)c1cccc(c1F)F TS10653 [0,2,0,0,0,0|1,0,1]=4 2504 B11R1.159 CC(=O)c1cccc(c1N)O TS41015 [0,2,0,0,0,0|1,0,1]=4 2505 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [0,2,0,0,0,0|0,1,1]=4 2506 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [0,2,0,0,0,0|0,1,1]=4 2507 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [0,2,0,0,0,0|0,1,1]=4 2508 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [0,2,0,0,0,0|0,1,1]=4 2509 B11R1.159 CC(C)c1cccc(c1O)O TS41150 [0,2,0,0,0,0|0,1,0]=3 2510 B11R1.159 CN(C)c1cccc(c1Cl)Cl TS51013 [0,2,0,0,0,0|2,0,0]=4 2511 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [0,2,0,0,0,0|1,0,1]=4 2512 B11R1.159 Cc1cccc(c1C)C(C)O TS09918 [0,2,0,0,0,0|1,0,0]=3 2513 B11R1.159 Cc1cccc(c1N)C(C)C TS55412 [0,2,0,0,0,0|1,0,0]=3 2514 B11R1.159 Cc1cccc(c1O)C(C)C TS40904 [0,2,0,0,0,0|0,1,0]=3 2515 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(Cl)Cl TS52919 [0,2,0,0,0,0|2,0,0]=4 2516 B11R1.265 COc1c(cccc1F)C#N TS40978 [0,2,0,0,0,0|2,0,0]=4 2517 B11R1.265 COc1c(cccc1F)C=O TS16737 [0,2,0,0,0,0|1,1,0]=4 2518 B11R1.265 COc1cccc(c1C#N)Cl TS12429 [0,2,0,0,0,0|2,0,0]=4 2519 B11R1.265 COc1cccc(c1C#N)F TS65425 [0,2,0,0,0,0|2,0,0]=4 2520 B11R1.265 COc1cccc(c1C=O)Cl TS12929 [0,2,0,0,0,0|1,1,0]=4 2521 B11R1.265 COc1cccc(c1C=O)F TS60286 [0,2,0,0,0,0|1,1,0]=4 2522 B11R1.265 COc1cccc(c1C=O)I TS29740 [0,2,0,0,0,0|1,1,0]=4 2523 B11R1.265 COc1cccc(c1C=O)O TS16696 [0,2,0,0,0,0|1,1,0]=4 2524 B11R1.265 COc1cccc(c1OC)Br TS49207 [0,2,0,0,0,0|1,1,0]=4 2525 B11R1.265 COc1cccc(c1OC)Cl TS45567 [0,2,0,0,0,0|1,1,0]=4 2526 B11R1.265 COc1cccc(c1OC)F TS41600 [0,2,0,0,0,0|1,1,0]=4 2527 B11R1.265 COc1cccc(c1OC)O TS41358 [0,2,0,0,0,0|1,1,0]=4 2528 B11R1.265 Cc1cccc(c1OC)OC TS41140 [0,2,0,0,0,0|1,1,0]=4 2529 B11R1.267 CCc1cccc(c1Br)CC TS44297 [0,2,0,0,0,0|1,0,0]=3 2530 B11R1.267 CCc1cccc(c1N)CC TS40786 [0,2,0,0,0,0|1,0,0]=3 2531 B11R1.267 CCc1cccc(c1O)CC TS60244 [0,2,0,0,0,0|0,1,0]=3 2532 B11R1.267 COc1cccc(c1Br)OC TS49206 [0,2,0,0,0,0|2,0,0]=4 2533 B11R1.267 COc1cccc(c1Cl)OC TS09253 [0,2,0,0,0,0|2,0,0]=4 2534 B11R1.267 COc1cccc(c1F)C#N TS09288 [0,2,0,0,0,0|2,0,0]=4 2535 B11R1.267 COc1cccc(c1F)C=O TS55328 [0,2,0,0,0,0|2,0,0]=4 2536 B11R1.267 COc1cccc(c1N)C#N TS40629 [0,2,0,0,0,0|2,0,0]=4 2537 B11R1.267 COc1cccc(c1N)OC TS47315 [0,2,0,0,0,0|2,0,0]=4 2538 B11R1.267 COc1cccc(c1O)C#N TS40729 [0,2,0,0,0,0|1,1,0]=4 2539 B11R1.267 COc1cccc(c1O)CO TS10414 [0,2,0,0,0,0|1,1,0]=4 2540 B11R1.267 COc1cccc(c1O)OC TS10409 [0,2,0,0,0,0|1,1,0]=4 2541 B11R1.267 c1cc(c(c(c1)C=O)Cl)CF TS13267 [0,2,0,0,0,0|2,0,0]=4 2542 B11R1.267 c1cc(c(c(c1)CBr)F)CBr TS34376 [0,2,0,0,0,0|2,0,0]=4 2543 B11R1.278 COc1ccc(c(c1Br)F)F TS50251 [0,2,0,0,0,0|2,0,0]=4 2544 B11R1.278 COc1ccc(c(c1Cl)Cl)Cl TS21187 [0,2,0,0,0,0|2,0,0]=4 2545 B11R1.278 COc1ccc(c(c1F)F)Br TS50253 [0,2,0,0,0,0|2,0,0]=4 2546 B11R1.278 COc1ccc(c(c1F)F)F TS42384 [0,2,0,0,0,0|2,0,0]=4 2547 B11R1.278 COc1ccc(c(c1F)F)O TS42117 [0,2,0,0,0,0|2,0,0]=4 2548 B11R1.278 Cc1c(c(ccc1OC)Br)C TS21835 [0,2,0,0,0,0|2,0,0]=4 2549 B11R1.278 Cc1c(c(ccc1OC)I)C TS68562 [0,2,0,0,0,0|2,0,0]=4 2550 B11R1.278 Cc1c(ccc(c1F)CN)F TS10831 [0,2,0,0,0,0|2,0,0]=4 2551 B11R1.278 Cc1c(ccc(c1F)F)CO TS10935 [0,2,0,0,0,0|2,0,0]=4 2552 B11R1.278 Cc1ccc(c(c1F)C)CO TS41383 [0,2,0,0,0,0|2,0,0]=4 2553 B11R1.278 Cc1ccc(c(c1F)F)CBr TS23229 [0,2,0,0,0,0|2,0,0]=4 2554 B11R1.278 Cc1ccc(c(c1F)F)CN TS10830 [0,2,0,0,0,0|2,0,0]=4 2555 B11R1.278 Cc1ccc(c(c1F)F)OC TS10939 [0,2,0,0,0,0|2,0,0]=4 2556 B11R1.278 c1cc(c(c(c1CBr)F)F)F TS52108 [0,2,0,0,0,0|2,0,0]=4 2557 B11R1.278 c1cc(c(c(c1CCl)F)F)F TS47991 [0,2,0,0,0,0|2,0,0]=4 2558 B11R1.278 c1cc(c(c(c1CN)F)F)F TS42259 [0,2,0,0,0,0|2,0,0]=4 2559 B11R1.17 C=CCCc1ccccc1Br TS43954 [0,2,0,0,0,0|1,0,0]=3 2560 B11R1.17 C=CCOc1ccccc1Cl TS44954 [0,2,0,0,0,0|1,0,1]=4 2561 B11R1.17 C=CCOc1ccccc1O TS09860 [0,2,0,0,0,0|0,1,1]=4 2562 B11R1.17 CCCCc1ccccc1N TS07609 [0,2,0,0,0,0|1,0,0]=3 2563 B11R1.17 CNCCc1ccccc1F TS10332 [0,2,0,0,0,0|1,0,0]=3 2564 B11R1.17 Cc1ccccc1CN=C=O TS07341 [0,2,0,0,0,0|1,0,1]=4 2565 B11R1.17 Cc1ccccc1CN=C=S TS11741 [0,2,0,0,0,0|1,0,1]=4 2566 B11R1.17 Cc1ccccc1NCCO TS41044 [0,2,0,0,0,0|1,0,0]=3 2567 B11R1.17 Cc1ccccc1OCCBr TS08141 [0,2,0,0,0,0|1,0,0]=3 2568 B11R1.17 [C-]#[N+]CCc1ccccc1F TS07565 [0,2,0,0,0,0|1,0,0]=3 2569 B11R1.17 c1ccc(c(c1)C#CCO)Br TS21059 [0,2,0,0,0,0|1,0,1]=4 2570 B11R1.17 c1ccc(c(c1)C#CCO)Cl TS12313 [0,2,0,0,0,0|1,0,1]=4 2571 B11R1.17 c1ccc(c(c1)CCC#N)Cl TS12105 [0,2,0,0,0,0|1,0,0]=3 2572 B11R1.17 c1ccc(c(c1)CCCN)N TS09947 [0,2,0,0,0,0|1,0,0]=3 2573 B11R1.17 c1ccc(c(c1)CCCN)O TS10076 [0,2,0,0,0,0|0,1,0]=3 2574 B11R1.17 c1ccc(c(c1)CCCO)Br TS21829 [0,2,0,0,0,0|1,0,0]=3 2575 B11R1.17 c1ccc(c(c1)CN=C=O)F TS40975 [0,2,0,0,0,0|1,0,1]=4 2576 B11R1.17 c1ccc(c(c1)CN=C=S)Cl TS15202 [0,2,0,0,0,0|1,0,1]=4 2577 B11R1.17 c1ccc(c(c1)CN=C=S)F TS12394 [0,2,0,0,0,0|1,0,1]=4 2578 B11R1.17 c1ccc(c(c1)N)NCCN TS10085 [0,2,0,0,0,0|1,0,0]=3 2579 B11R1.17 c1ccc(c(c1)N)NCCO TS16091 [0,2,0,0,0,0|1,0,0]=3 2580 B11R1.17 c1ccc(c(c1)O)OCCO TS08221 [0,2,0,0,0,0|0,1,0]=3 2581 B11R1.17 c1ccc(c(c1)OCC#N)Cl TS43278 [0,2,0,0,0,0|1,0,1]=4 2582 B11R1.17 c1ccc(c(c1)OCCBr)Br TS54290 [0,2,0,0,0,0|1,0,0]=3 2583 B11R1.17 c1ccc(c(c1)OCCBr)Cl TS25797 [0,2,0,0,0,0|1,0,0]=3 2584 B11R1.17 c1ccc(c(c1)OCCBr)F TS22535 [0,2,0,0,0,0|1,0,0]=3 2585 B11R1.17 c1ccc(c(c1)OCCCl)Br TS25794 [0,2,0,0,0,0|1,0,0]=3 2586 B11R1.17 c1ccc(c(c1)OCCN)Cl TS45380 [0,2,0,0,0,0|1,0,0]=3 2587 B11R1.17 c1ccc(c(c1)OCCO)Cl TS45566 [0,2,0,0,0,0|1,0,0]=3 2588 B11R1.17 c1ccc(c(c1)SCCO)Br TS25354 [0,2,0,0,0,0|1,0,0]=3 2589 B11R1.41 C=CCc1ccccc1CO TS07463 [0,2,0,0,0,0|0,1,1]=4 2590 B11R1.41 CCOc1c(cccn1)C=O TS40992 [0,2,0,0,0,0|1,1,0]=4 2591 B11R1.41 CCOc1ccccc1C#N TS65044 [0,2,0,0,0,0|1,0,0]=3 2592 B11R1.41 CCOc1ccccc1C=O TS40864 [0,2,0,0,0,0|0,1,0]=3 2593 B11R1.41 CCOc1ccccc1CN TS41033 [0,2,0,0,0,0|1,0,0]=3 2594 B11R1.41 CCOc1ccccc1CO TS10180 [0,2,0,0,0,0|0,1,0]=3 2595 B11R1.41 CCOc1ccccc1C[Zn+] TS25823 [0,2,0,0,0,0|1,0,0]=3 2596 B11R1.41 CCOc1ccccc1OC TS41144 [0,2,0,0,0,0|0,1,0]=3 2597 B11R1.41 CCc1ccccc1N=C=O TS07346 [0,2,0,0,0,0|0,1,0]=3 2598 B11R1.41 CNCc1ccccc1OC TS10080 [0,2,0,0,0,0|0,1,0]=3 2599 B11R1.41 COc1ccccc1C=NO TS41005 [0,2,0,0,0,0|1,1,0]=4 2600 B11R1.41 COc1ccccc1CC#N TS07347 [0,2,0,0,0,0|0,1,1]=4 2601 B11R1.41 COc1ccccc1CC=C TS07469 [0,2,0,0,0,0|0,1,1]=4 2602 B11R1.41 COc1ccccc1CCN TS41034 [0,2,0,0,0,0|0,1,0]=3 2603 B11R1.41 COc1ccccc1CCO TS10185 [0,2,0,0,0,0|0,1,0]=3 2604 B11R1.41 COc1ccccc1CNN TS52128 [0,2,0,0,0,0|1,1,0]=4 2605 B11R1.41 COc1ccccc1CNN TS91568 [0,2,0,0,0,0|1,1,0]=4 2606 B11R1.41 COc1ccccc1CO[NH3+] TS16256 [0,2,0,0,0,0|1,1,0]=4 2607 B11R1.41 COc1ccccc1N=C=O TS40721 [0,2,0,0,0,0|1,1,0]=4 2608 B11R1.41 COc1ccccc1N=C=S TS42928 [0,2,0,0,0,0|1,0,1]=4 2609 B11R1.41 CSc1ccccc1N=C=O TS42918 [0,2,0,0,0,0|1,0,1]=4 2610 B11R1.41 c1ccc(c(c1)CC#N)C#N TS37568 [0,2,0,0,0,0|1,0,1]=4 2611 B11R1.41 c1ccc(c(c1)CCBr)C=O TS16659 [0,2,0,0,0,0|0,1,0]=3 2612 B11R1.41 c1ccc(c(c1)CCl)N=C=O TS12433 [0,2,0,0,0,0|1,1,0]=4 2613 B11R1.81 CCCc1ccc(cc1O)O TS41141 [0,2,0,0,0,0|0,1,0]=3 2614 B11R1.81 CCNc1ccc(cc1Cl)Cl TS51023 [0,2,0,0,0,0|1,0,0]=3 2615 B11R1.81 CCNc1ccc(cc1N)Cl TS12938 [0,2,0,0,0,0|1,0,0]=3 2616 B11R1.81 CCOc1c(cc(cn1)Br)I TS77713 [0,2,0,0,0,0|2,0,0]=4 2617 B11R1.81 CCOc1c(cc(cn1)Cl)F TS13757 [0,2,0,0,0,0|2,0,0]=4 2618 B11R1.81 CCOc1ccc(cc1Cl)Cl TS51227 [0,2,0,0,0,0|1,0,0]=3 2619 B11R1.81 CCOc1ccc(cc1Cl)F TS13586 [0,2,0,0,0,0|1,0,0]=3 2620 B11R1.81 CCOc1ccc(cc1F)Cl TS13602 [0,2,0,0,0,0|1,0,0]=3 2621 B11R1.81 CCOc1ccc(cc1N)N TS62845 [0,2,0,0,0,0|1,0,0]=3 2622 B11R1.81 CCOc1ccc(nc1C)N TS03291 [0,2,0,0,0,0|2,0,0]=4 2623 B11R1.81 Cc1cc(ccc1CCO)F TS41382 [0,2,0,0,0,0|1,0,0]=3 2624 B11R1.81 Cc1ccc(c(c1)C)CC#N TS07115 [0,2,0,0,0,0|1,0,1]=4 2625 B11R1.81 Cc1ccc(c(c1)C)CCN TS07611 [0,2,0,0,0,0|1,0,0]=3 2626 B11R1.81 Cc1ccc(c(c1)C)CCO TS40908 [0,2,0,0,0,0|1,0,0]=3 2627 B11R1.81 Cc1ccc(c(c1)F)CC#N TS09298 [0,2,0,0,0,0|1,0,1]=4 2628 B11R1.81 [C-]#[N+]Cc1ccc(cc1F)Br TS21594 [0,2,0,0,0,0|1,0,1]=4 2629 B11R1.81 c1cc(c(cc1Br)F)CC#N TS16942 [0,2,0,0,0,0|1,0,1]=4 2630 B11R1.81 c1cc(c(cc1Cl)Cl)CC#N TS48827 [0,2,0,0,0,0|1,0,1]=4 2631 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS07994 [0,2,0,0,0,0|1,0,0]=3 2632 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51015 [0,2,0,0,0,0|1,0,0]=3 2633 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51021 [0,2,0,0,0,0|1,0,0]=3 2634 B11R1.81 c1cc(c(cc1Cl)Cl)CCO TS47216 [0,2,0,0,0,0|1,0,0]=3 2635 B11R1.81 c1cc(c(cc1Cl)Cl)CNN TS86264 [0,2,0,0,0,0|2,0,0]=4 2636 B11R1.81 c1cc(c(cc1Cl)Cl)CON TS24614 [0,2,0,0,0,0|2,0,0]=4 2637 B11R1.81 c1cc(c(cc1Cl)F)CC#N TS03041 [0,2,0,0,0,0|1,0,1]=4 2638 B11R1.81 c1cc(c(cc1F)Cl)CC#N TS02688 [0,2,0,0,0,0|1,0,1]=4 2639 B11R1.81 c1cc(c(cc1F)Cl)CC=O TS13265 [0,2,0,0,0,0|1,0,1]=4 2640 B11R1.81 c1cc(c(cc1F)Cl)CCO TS13593 [0,2,0,0,0,0|1,0,0]=3 2641 B11R1.81 c1cc(c(cc1F)Cl)CNN TS87366 [0,2,0,0,0,0|2,0,0]=4 2642 B11R1.81 c1cc(c(cc1F)Cl)CON TS93678 [0,2,0,0,0,0|2,0,0]=4 2643 B11R1.81 c1cc(c(cc1F)F)CC#N TS00633 [0,2,0,0,0,0|1,0,1]=4 2644 B11R1.81 c1cc(c(cc1F)F)CCN TS41757 [0,2,0,0,0,0|1,0,0]=3 2645 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [0,2,0,0,0,0|1,0,0]=3 2646 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [0,2,0,0,0,0|1,0,0]=3 2647 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [0,2,0,0,0,0|1,0,0]=3 2648 B11R1.86 CC(=O)Nc1ccccc1Br TS44445 [0,2,0,0,0,0|1,0,1]=4 2649 B11R1.86 CC(=O)Nc1ccccc1Cl TS12723 [0,2,0,0,0,0|1,0,1]=4 2650 B11R1.86 CC(=O)Nc1ccccc1F TS10312 [0,2,0,0,0,0|1,0,1]=4 2651 B11R1.86 CC(=O)Nc1ccccc1I TS29620 [0,2,0,0,0,0|1,0,1]=4 2652 B11R1.86 CC(=O)Nc1ccccc1N TS09894 [0,2,0,0,0,0|1,0,1]=4 2653 B11R1.86 CC(=O)Nc1ccccc1O TS10026 [0,2,0,0,0,0|0,1,1]=4 2654 B11R1.86 CC(=O)Oc1ccccc1Cl TS12917 [0,2,0,0,0,0|1,0,1]=4 2655 B11R1.86 CC(=O)Oc1ccccc1F TS41353 [0,2,0,0,0,0|1,0,1]=4 2656 B11R1.86 CC(C)Cc1ccccc1O TS40918 [0,2,0,0,0,0|0,1,0]=3 2657 B11R1.86 CC(C)Nc1c(cccn1)N TS10088 [0,2,0,0,0,0|2,0,0]=4 2658 B11R1.86 CC(C)Oc1c(cccn1)I TS29880 [0,2,0,0,0,0|2,0,0]=4 2659 B11R1.86 CC(C)Oc1ccccc1Br TS21828 [0,2,0,0,0,0|1,0,0]=3 2660 B11R1.86 CC(C)Oc1ccccc1O TS10184 [0,2,0,0,0,0|0,1,0]=3 2661 B11R1.86 CN(C)Cc1c(cccn1)O TS10196 [0,2,0,0,0,0|1,1,0]=4 2662 B11R1.86 CN(C)Cc1ccccc1Br TS21621 [0,2,0,0,0,0|1,0,0]=3 2663 B11R1.86 CN(C)Cc1ccccc1N TS09933 [0,2,0,0,0,0|1,0,0]=3 2664 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [0,2,0,0,0,0|1,0,0]=3 2665 B11R1.86 Cc1ccccc1CC(=O)Cl TS12613 [0,2,0,0,0,0|1,0,1]=4 2666 B11R1.86 Cc1ccccc1CC(=O)O TS40859 [0,2,0,0,0,0|1,0,1]=4 2667 B11R1.86 Cc1ccccc1NC(=O)C TS40760 [0,2,0,0,0,0|1,0,1]=4 2668 B11R1.86 Cc1ccccc1OC(F)F TS10937 [0,2,0,0,0,0|2,0,0]=4 2669 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F TS08220 [0,2,0,0,0,0|1,0,1]=4 2670 B11R1.86 c1ccc(c(c1)CC(=O)N)Br TS44449 [0,2,0,0,0,0|1,0,1]=4 2671 B11R1.86 c1ccc(c(c1)CC(=O)O)Br TS00856 [0,2,0,0,0,0|1,0,1]=4 2672 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl TS59962 [0,2,0,0,0,0|1,0,1]=4 2673 B11R1.86 c1ccc(c(c1)CC(=O)O)F TS93807 [0,2,0,0,0,0|1,0,1]=4 2674 B11R1.86 c1ccc(c(c1)CC(=O)O)I TS01083 [0,2,0,0,0,0|1,0,1]=4 2675 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS10032 [0,2,0,0,0,0|1,0,1]=4 2676 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS59939 [0,2,0,0,0,0|1,0,1]=4 2677 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [0,2,0,0,0,0|0,1,1]=4 2678 B11R1.86 c1ccc(c(c1)CC(=O)O)S TS44883 [0,2,0,0,0,0|0,0,1]=3 2679 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl TS15541 [0,2,0,0,0,0|1,0,1]=4 2680 B11R1.86 c1ccc(c(c1)N)OC(F)F TS08942 [0,2,0,0,0,0|2,0,0]=4 2681 B11R1.86 c1ccc(c(c1)O)OC(F)F TS42114 [0,2,0,0,0,0|1,1,0]=4 2682 B11R1.86 c1ccc(c(c1)OC(F)F)Br TS50252 [0,2,0,0,0,0|2,0,0]=4 2683 B11R1.182 C=CCc1cc(ccc1O)Cl TS44950 [0,2,0,0,0,0|0,1,1]=4 2684 B11R1.182 CCNc1cc(ccc1C)O TS41041 [0,2,0,0,0,0|1,0,0]=3 2685 B11R1.182 CCNc1cc(ccc1Cl)Cl TS51022 [0,2,0,0,0,0|1,0,0]=3 2686 B11R1.182 CCOc1cc(ccc1Br)N TS28395 [0,2,0,0,0,0|1,0,0]=3 2687 B11R1.182 CCOc1cc(ccc1Cl)F TS13585 [0,2,0,0,0,0|1,0,0]=3 2688 B11R1.182 CCOc1cc(ccc1F)Cl TS13597 [0,2,0,0,0,0|1,0,0]=3 2689 B11R1.182 CCOc1cc(ccc1N)F TS51362 [0,2,0,0,0,0|1,0,0]=3 2690 B11R1.182 CCOc1cc(ccc1O)C TS10189 [0,2,0,0,0,0|0,1,0]=3 2691 B11R1.182 CCOc1cc(cnc1Br)N TS49209 [0,2,0,0,0,0|2,0,0]=4 2692 B11R1.182 CNCc1cc(ccc1Cl)Cl TS33078 [0,2,0,0,0,0|1,0,0]=3 2693 B11R1.182 COCc1cc(ccc1Br)F TS22533 [0,2,0,0,0,0|1,0,0]=3 2694 B11R1.182 COCc1cc(ccc1F)Br TS22532 [0,2,0,0,0,0|1,0,0]=3 2695 B11R1.182 Cc1ccc(c(c1)CC#N)C TS07114 [0,2,0,0,0,0|1,0,1]=4 2696 B11R1.182 Cc1ccc(c(c1)CCN)C TS07614 [0,2,0,0,0,0|1,0,0]=3 2697 B11R1.182 Cc1ccc(c(c1)CCO)C TS40917 [0,2,0,0,0,0|1,0,0]=3 2698 B11R1.182 Cc1ccc(c(c1)CSC)O TS12580 [0,2,0,0,0,0|0,1,0]=3 2699 B11R1.182 Cc1ccc(cc1CC#N)F TS40737 [0,2,0,0,0,0|1,0,1]=4 2700 B11R1.182 [C-]#[N+]Cc1cc(ccc1F)Br TS21596 [0,2,0,0,0,0|1,0,1]=4 2701 B11R1.182 c1cc(c(cc1Cl)CC#N)Cl TS48828 [0,2,0,0,0,0|1,0,1]=4 2702 B11R1.182 c1cc(c(cc1Cl)CC#N)F TS60082 [0,2,0,0,0,0|1,0,1]=4 2703 B11R1.182 c1cc(c(cc1Cl)CCN)Cl TS51018 [0,2,0,0,0,0|1,0,0]=3 2704 B11R1.182 c1cc(c(cc1Cl)CCO)Cl TS51229 [0,2,0,0,0,0|1,0,0]=3 2705 B11R1.182 c1cc(c(cc1F)CC#N)Br TS21597 [0,2,0,0,0,0|1,0,1]=4 2706 B11R1.182 c1cc(c(cc1F)CC#N)Cl TS09286 [0,2,0,0,0,0|1,0,1]=4 2707 B11R1.182 c1cc(c(cc1F)CC#N)F TS41234 [0,2,0,0,0,0|1,0,1]=4 2708 B11R1.182 c1cc(c(cc1N)CCO)N TS28052 [0,2,0,0,0,0|1,0,0]=3 2709 B11R1.222 CC(=NO)c1ccccc1O TS10031 [0,2,0,0,0,0|0,1,1]=4 2710 B11R1.222 CCC(=O)c1ccccc1F TS01035 [0,2,0,0,0,0|1,0,0]=3 2711 B11R1.222 CCC(=O)c1ccccc1O TS09859 [0,2,0,0,0,0|0,1,0]=3 2712 B11R1.222 CCC(C)c1ccccc1N TS40776 [0,2,0,0,0,0|1,0,0]=3 2713 B11R1.222 CCC(C)c1ccccc1O TS40906 [0,2,0,0,0,0|0,1,0]=3 2714 B11R1.222 CNC(=O)c1ccccc1Br TS44448 [0,2,0,0,0,0|1,0,1]=4 2715 B11R1.222 CNC(=O)c1ccccc1N TS00814 [0,2,0,0,0,0|1,0,1]=4 2716 B11R1.222 CNC(=O)c1ccccc1O TS41017 [0,2,0,0,0,0|0,1,1]=4 2717 B11R1.222 COC(=O)c1ccccc1Br TS44643 [0,2,0,0,0,0|1,0,1]=4 2718 B11R1.222 COC(=O)c1ccccc1Cl TS12913 [0,2,0,0,0,0|1,0,1]=4 2719 B11R1.222 COC(=O)c1ccccc1F TS56255 [0,2,0,0,0,0|1,0,1]=4 2720 B11R1.222 COC(=O)c1ccccc1I TS29742 [0,2,0,0,0,0|1,0,1]=4 2721 B11R1.222 COC(=O)c1ccccc1N TS56313 [0,2,0,0,0,0|1,0,1]=4 2722 B11R1.222 COC(=O)c1ccccc1O TS10129 [0,2,0,0,0,0|0,1,1]=4 2723 B11R1.222 COC(=O)c1ccccc1S TS44891 [0,2,0,0,0,0|0,0,1]=3 2724 B11R1.222 Cc1ccccc1C(=O)NC TS40759 [0,2,0,0,0,0|1,0,1]=4 2725 B11R1.222 Cc1ccccc1C(=O)OC TS09866 [0,2,0,0,0,0|1,0,1]=4 2726 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br TS00854 [0,2,0,0,0,0|1,0,1]=4 2727 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl TS08386 [0,2,0,0,0,0|1,0,1]=4 2728 B11R1.222 c1ccc(c(c1)C(=O)CBr)F TS01031 [0,2,0,0,0,0|1,0,1]=4 2729 B11R1.222 c1ccc(c(c1)C(=O)CBr)O TS44636 [0,2,0,0,0,0|0,1,1]=4 2730 B11R1.222 c1ccc(c(c1)C(=O)CCl)N TS08140 [0,2,0,0,0,0|1,0,1]=4 2731 B11R1.222 c1ccc(c(c1)C(=O)CN)F TS08266 [0,2,0,0,0,0|1,0,1]=4 2732 B11R1.222 c1ccc(c(c1)C(CN)O)Br TS28393 [0,2,0,0,0,0|1,0,0]=3 2733 B11R1.222 c1ccc(c(c1)C(CN)O)Cl TS43394 [0,2,0,0,0,0|1,0,0]=3 2734 B11R1.222 c1ccc(c(c1)C(CN)O)F TS51364 [0,2,0,0,0,0|1,0,0]=3 2735 B11R1.222 c1ccc(c(c1)C(CN)O)I TS74551 [0,2,0,0,0,0|1,0,0]=3 2736 B11R1.222 c1ccc(c(c1)C(CO)N)Cl TS45379 [0,2,0,0,0,0|1,0,0]=3 2737 B11R1.605 CCCc1c(cccc1O)O TS41152 [0,2,0,0,0,0|0,1,0]=3 2738 B11R1.605 CCNc1c(cccc1Cl)Cl TS51009 [0,2,0,0,0,0|1,0,0]=3 2739 B11R1.605 COCc1c(cccc1Cl)Cl TS51226 [0,2,0,0,0,0|1,0,0]=3 2740 B11R1.605 Cc1cccc(c1CC#N)C TS40327 [0,2,0,0,0,0|1,0,1]=4 2741 B11R1.605 c1cc(c(c(c1)Cl)CC#N)Cl TS34636 [0,2,0,0,0,0|1,0,1]=4 2742 B11R1.605 c1cc(c(c(c1)Cl)CC#N)F TS45047 [0,2,0,0,0,0|1,0,1]=4 2743 B11R1.605 c1cc(c(c(c1)Cl)CCN)Cl TS07995 [0,2,0,0,0,0|1,0,0]=3 2744 B11R1.605 c1cc(c(c(c1)Cl)CCN)Cl TS51017 [0,2,0,0,0,0|1,0,0]=3 2745 B11R1.605 c1cc(c(c(c1)Cl)CCN)F TS13424 [0,2,0,0,0,0|1,0,0]=3 2746 B11R1.605 c1cc(c(c(c1)Cl)CCO)Cl TS51230 [0,2,0,0,0,0|1,0,0]=3 2747 B11R1.605 c1cc(c(c(c1)Cl)CCO)F TS32915 [0,2,0,0,0,0|1,0,0]=3 2748 B11R1.605 c1cc(c(c(c1)Cl)CON)F TS94245 [0,2,0,0,0,0|2,0,0]=4 2749 B11R1.605 c1cc(c(c(c1)F)CC#N)F TS59552 [0,2,0,0,0,0|1,0,1]=4 2750 B11R1.605 c1cc(c(c(c1)F)CCN)F TS10829 [0,2,0,0,0,0|1,0,0]=3 2751 B11R1.605 c1cc(c(c(c1)F)CCO)F TS10936 [0,2,0,0,0,0|1,0,0]=3 2752 B11R1.37 CNc1ccc(cc1C#N)Cl TS12317 [0,2,0,0,0,0|2,0,0]=4 2753 B11R1.37 COc1cc(ccc1C#N)Br TS70958 [0,2,0,0,0,0|2,0,0]=4 2754 B11R1.37 COc1cc(ccc1C#N)F TS60398 [0,2,0,0,0,0|2,0,0]=4 2755 B11R1.37 COc1cc(ccc1C=O)F TS09700 [0,2,0,0,0,0|1,1,0]=4 2756 B11R1.37 COc1cc(ccc1C=O)O TS71152 [0,2,0,0,0,0|1,1,0]=4 2757 B11R1.37 COc1cc(ccc1CCl)F TS13587 [0,2,0,0,0,0|1,1,0]=4 2758 B11R1.37 COc1cc(ccc1CO)F TS10664 [0,2,0,0,0,0|1,1,0]=4 2759 B11R1.37 COc1ccc(cc1C#N)Cl TS32986 [0,2,0,0,0,0|2,0,0]=4 2760 B11R1.37 COc1ccc(cc1C#N)F TS71543 [0,2,0,0,0,0|2,0,0]=4 2761 B11R1.37 COc1ccc(cc1C#N)I TS29292 [0,2,0,0,0,0|2,0,0]=4 2762 B11R1.37 COc1ccc(cc1C=O)Br TS16974 [0,2,0,0,0,0|1,1,0]=4 2763 B11R1.37 COc1ccc(cc1C=O)Cl TS09829 [0,2,0,0,0,0|1,1,0]=4 2764 B11R1.37 COc1ccc(cc1C=O)F TS71541 [0,2,0,0,0,0|1,1,0]=4 2765 B11R1.37 COc1ccc(cc1C=O)I TS71572 [0,2,0,0,0,0|1,1,0]=4 2766 B11R1.37 COc1ccc(cc1CBr)F TS07834 [0,2,0,0,0,0|1,1,0]=4 2767 B11R1.37 COc1ccc(cc1CN)Cl TS45383 [0,2,0,0,0,0|1,1,0]=4 2768 B11R1.37 COc1ccc(cc1CO)Br TS07816 [0,2,0,0,0,0|1,1,0]=4 2769 B11R1.37 COc1ccc(cc1NN)Cl TS07826 [0,2,0,0,0,0|2,0,0]=4 2770 B11R1.37 COc1ccc(cc1OC)Br TS09621 [0,2,0,0,0,0|1,1,0]=4 2771 B11R1.37 COc1ccc(cc1OC)F TS41604 [0,2,0,0,0,0|1,1,0]=4 2772 B11R1.37 COc1ccc(cc1OC)I TS68773 [0,2,0,0,0,0|1,1,0]=4 2773 B11R1.37 COc1ccc(cc1OC)N TS02553 [0,2,0,0,0,0|1,1,0]=4 2774 B11R1.37 COc1ccc(cc1OC)N TS16248 [0,2,0,0,0,0|1,1,0]=4 2775 B11R1.37 COc1ccc(cc1OC)O TS65454 [0,2,0,0,0,0|1,1,0]=4 2776 B11R1.37 COc1ccc(cc1OC)S TS12826 [0,2,0,0,0,0|1,1,0]=4 2777 B11R1.37 COc1ccc(cc1[Mg]Br)F TS52885 [0,2,0,0,0,0|2,0,0]=4 2778 B11R1.37 COc1ccc(cc1[N+]#N)Cl TS38745 [0,2,0,0,0,0|2,0,0]=4 2779 B11R1.37 Cc1ccc(c(c1)OC)OC TS41132 [0,2,0,0,0,0|1,1,0]=4 2780 B11R1.37 c1cc(c(cc1F)C#N)CBr TS55291 [0,2,0,0,0,0|2,0,0]=4 2781 B11R1.37 c1cc(c(cc1F)CBr)C#N TS21599 [0,2,0,0,0,0|2,0,0]=4 2782 B11R1.53 B(c1ccccc1CBr)(O)O TS00851 [0,2,0,0,0,0|1,1,0]=4 2783 B11R1.53 B(c1ccccc1CC)(O)O TS46398 [0,2,0,0,0,0|0,1,0]=3 2784 B11R1.53 B(c1ccccc1CN)(O)O TS40958 [0,2,0,0,0,0|1,1,0]=4 2785 B11R1.53 B(c1ccccc1SC)(O)O TS00233 [0,2,0,0,0,0|1,1,0]=4 2786 B11R1.53 CC(=O)c1ccccc1C#N TS07089 [0,2,0,0,0,0|1,0,1]=4 2787 B11R1.53 CC(=O)c1ccccc1OC TS09870 [0,2,0,0,0,0|0,1,1]=4 2788 B11R1.53 CC(C)c1c(nccn1)SC TS44909 [0,2,0,0,0,0|2,0,0]=4 2789 B11R1.53 CC(C)c1ccccc1C=O TS55413 [0,2,0,0,0,0|0,1,0]=3 2790 B11R1.53 CC(C)c1ccccc1OC TS40899 [0,2,0,0,0,0|0,1,0]=3 2791 B11R1.53 CCc1c(cccn1)[N+](=O)[O-] TS91401 [0,2,0,0,0,0|1,1,0]=4 2792 B11R1.53 CCc1ccccc1C(=O)O TS55311 [0,2,0,0,0,0|0,1,0]=3 2793 B11R1.53 CCc1ccccc1C(=S)N TS12087 [0,2,0,0,0,0|0,0,1]=3 2794 B11R1.53 CCc1ccccc1N(=O)=O TS39599 [0,2,0,0,0,0|0,1,0]=3 2795 B11R1.53 CN(C)c1ccccc1C=O TS00515 [0,2,0,0,0,0|1,1,0]=4 2796 B11R1.53 CNc1ccccc1C(=O)N TS09878 [0,2,0,0,0,0|1,1,0]=4 2797 B11R1.53 CNc1ccccc1C(=O)O TS40996 [0,2,0,0,0,0|1,1,0]=4 2798 B11R1.53 CNc1ccccc1[N+](=O)[O-] TS41127 [0,2,0,0,0,0|1,1,0]=4 2799 B11R1.53 COc1ccccc1C(=N)N TS15732 [0,2,0,0,0,0|2,0,0]=4 2800 B11R1.53 COc1ccccc1C(=O)Cl TS12916 [0,2,0,0,0,0|1,1,0]=4 2801 B11R1.53 COc1ccccc1C(=O)N TS10036 [0,2,0,0,0,0|1,1,0]=4 2802 B11R1.53 COc1ccccc1C(=O)O TS00089 [0,2,0,0,0,0|1,1,0]=4 2803 B11R1.53 COc1ccccc1C(=S)N TS12414 [0,2,0,0,0,0|1,0,1]=4 2804 B11R1.53 COc1ccccc1[N+](=O)[O-] TS41258 [0,2,0,0,0,0|1,1,0]=4 2805 B11R1.53 CSc1ccccc1C(=O)O TS44885 [0,2,0,0,0,0|1,0,1]=4 2806 B11R1.53 CSc1ccccc1[N+](=O)[O-] TS59981 [0,2,0,0,0,0|1,1,0]=4 2807 B11R1.53 C[C@@H](c1ccccc1OC)N TS10074 [0,2,0,0,0,0|0,1,0]=3 2808 B11R1.53 C[C@H](c1ccccc1OC)N TS10073 [0,2,0,0,0,0|0,1,0]=3 2809 B11R1.53 c1ccc(c(c1)CBr)C(=O)Br TS31288 [0,2,0,0,0,0|1,1,0]=4 2810 B11R1.53 c1ccc(c(c1)CBr)C(=O)O TS44633 [0,2,0,0,0,0|1,1,0]=4 2811 B11R1.53 c1ccc(c(c1)CBr)[N+](=O)[O-] TS09391 [0,2,0,0,0,0|1,1,0]=4 2812 B11R1.53 c1ccc(c(c1)CCl)C(=O)Cl TS50845 [0,2,0,0,0,0|1,1,0]=4 2813 B11R1.53 c1ccc(c(c1)CCl)C(=O)O TS47087 [0,2,0,0,0,0|1,1,0]=4 2814 B11R1.53 c1ccc(c(c1)CCl)[N+](=O)[O-] TS13069 [0,2,0,0,0,0|1,1,0]=4 2815 B11R1.53 c1ccc(c(c1)CN)[N+](=O)[O-] TS50822 [0,2,0,0,0,0|1,1,0]=4 2816 B11R1.53 c1ccc(c(c1)CO)[N+](=O)[O-] TS09390 [0,2,0,0,0,0|1,1,0]=4 2817 B11R1.53 c1ccc(c(c1)[N+](=O)[O-])SCl TS16247 [0,2,0,0,0,0|2,0,0]=4 2818 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,2,0,0,0,0|1,0,1]=4 2819 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,2,0,0,0,0|1,0,1]=4 2820 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,2,0,0,0,0|1,0,1]=4 2821 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,2,0,0,0,0|1,0,1]=4 2822 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,2,0,0,0,0|1,0,1]=4 2823 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,2,0,0,0,0|1,0,1]=4 2824 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,2,0,0,0,0|1,0,1]=4 2825 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,2,0,0,0,0|1,0,1]=4 2826 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,2,0,0,0,0|1,0,1]=4 2827 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,2,0,0,0,0|1,0,1]=4 2828 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,2,0,0,0,0|1,0,1]=4 2829 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,2,0,0,0,0|0,1,1]=4 2830 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,2,0,0,0,0|0,1,1]=4 2831 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,2,0,0,0,0|0,1,1]=4 2832 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,2,0,0,0,0|0,1,1]=4 2833 B11R1.166 CC(c1ccc(cc1Cl)Cl)N TS51012 [0,2,0,0,0,0|1,0,0]=3 2834 B11R1.166 CC(c1ccc(cc1Cl)Cl)O TS51231 [0,2,0,0,0,0|1,0,0]=3 2835 B11R1.166 CC(c1ccc(cc1Cl)F)O TS13594 [0,2,0,0,0,0|1,0,0]=3 2836 B11R1.166 CC(c1ccc(cc1F)F)N TS41758 [0,2,0,0,0,0|1,0,0]=3 2837 B11R1.166 CN(C)c1ccc(cc1Br)F TS49358 [0,2,0,0,0,0|2,0,0]=4 2838 B11R1.166 CN(C)c1ccc(cc1F)Br TS49357 [0,2,0,0,0,0|2,0,0]=4 2839 B11R1.166 CN(C)c1ccc(cc1F)F TS41754 [0,2,0,0,0,0|2,0,0]=4 2840 B11R1.166 C[C@@H](c1ccc(cc1F)F)N TS17734 [0,2,0,0,0,0|1,0,0]=3 2841 B11R1.166 C[C@H](c1ccc(cc1F)F)N TS17732 [0,2,0,0,0,0|1,0,0]=3 2842 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,2,0,0,0,0|1,0,1]=4 2843 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,2,0,0,0,0|1,0,1]=4 2844 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,2,0,0,0,0|1,0,1]=4 2845 B11R1.166 Cc1cc(ccc1C(C)C)N TS15547 [0,2,0,0,0,0|1,0,0]=3 2846 B11R1.166 Cc1cc(ccc1C(C)C)O TS40896 [0,2,0,0,0,0|1,0,0]=3 2847 B11R1.166 Cc1cc(ccc1N(C)C)Br TS21624 [0,2,0,0,0,0|2,0,0]=4 2848 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,2,0,0,0,0|1,0,1]=4 2849 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [0,2,0,0,0,0|1,0,0]=3 2850 B11R1.166 Cc1ccc(c(c1)C)[C@H](C)N TS07613 [0,2,0,0,0,0|1,0,0]=3 2851 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,2,0,0,0,0|0,1,1]=4 2852 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS09913 [0,2,0,0,0,0|0,1,0]=3 2853 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS73186 [0,2,0,0,0,0|0,1,0]=3 2854 B11R1.166 c1cc(c(cc1Br)F)C(F)F TS52106 [0,2,0,0,0,0|2,0,0]=4 2855 B11R1.166 c1cc(c(cc1Br)S)C(=O)O TS25338 [0,2,0,0,0,0|1,0,1]=4 2856 B11R1.166 c1cc(c(cc1Cl)Cl)C(Cl)Cl TS52918 [0,2,0,0,0,0|2,0,0]=4 2857 B11R1.166 c1cc(c(cc1F)Br)C(F)F TS23943 [0,2,0,0,0,0|2,0,0]=4 2858 B11R1.166 c1cc(c(cc1F)S)C(=O)O TS13135 [0,2,0,0,0,0|1,0,1]=4 2859 B11R1.277 COC1=CC(=O)C(=CC1=O)O TS10384 [0,2,0,0,0,0|1,1,0]=4 2860 B11R1.277 COc1cc(c(cc1Br)F)F TS50249 [0,2,0,0,0,0|2,0,0]=4 2861 B11R1.277 COc1cc(c(cc1Cl)Cl)Cl TS21185 [0,2,0,0,0,0|2,0,0]=4 2862 B11R1.277 COc1cc(c(cc1Cl)Cl)N TS00609 [0,2,0,0,0,0|2,0,0]=4 2863 B11R1.277 COc1cc(c(cc1Cl)F)Br TS39526 [0,2,0,0,0,0|2,0,0]=4 2864 B11R1.277 CSc1cc(c(cc1Cl)Cl)Cl TS24417 [0,2,0,0,0,0|2,0,0]=4 2865 B11R1.277 Cc1cc(c(cc1Br)Br)OC TS54286 [0,2,0,0,0,0|2,0,0]=4 2866 B11R1.277 Cc1cc(c(cc1Br)C)OC TS21834 [0,2,0,0,0,0|2,0,0]=4 2867 B11R1.277 Cc1cc(c(cc1C)I)OC TS68564 [0,2,0,0,0,0|2,0,0]=4 2868 B11R1.277 Cc1cc(c(cc1Cl)OC)N TS03050 [0,2,0,0,0,0|2,0,0]=4 2869 B11R1.277 Cc1cc(c(cc1I)C)OC TS68563 [0,2,0,0,0,0|2,0,0]=4 2870 B11R1.277 c1c(c(cc(c1Cl)F)F)CN TS07821 [0,2,0,0,0,0|2,0,0]=4 2871 B11R1.277 c1c(c(cc(c1F)Cl)Cl)CBr TS68061 [0,2,0,0,0,0|2,0,0]=4 2872 B11R1.277 c1c(c(cc(c1F)F)F)CBr TS00584 [0,2,0,0,0,0|2,0,0]=4 2873 B11R1.277 c1c(c(cc(c1F)F)F)CCl TS65325 [0,2,0,0,0,0|2,0,0]=4 2874 B11R1.277 c1c(c(cc(c1F)F)F)CN TS65324 [0,2,0,0,0,0|2,0,0]=4 2875 B11R1.277 c1c(c(cc(c1F)F)F)CO TS00583 [0,2,0,0,0,0|2,0,0]=4 2876 B11R1.279 CNc1ccc(cc1N)C#N TS39296 [0,2,0,0,0,0|2,0,0]=4 2877 B11R1.279 CNc1ccc(cc1N)OC TS10200 [0,2,0,0,0,0|2,0,0]=4 2878 B11R1.279 COc1ccc(c(c1)Br)OC TS39649 [0,2,0,0,0,0|2,0,0]=4 2879 B11R1.279 COc1ccc(c(c1)Cl)CBr TS16533 [0,2,0,0,0,0|2,0,0]=4 2880 B11R1.279 COc1ccc(c(c1)Cl)OC TS45559 [0,2,0,0,0,0|2,0,0]=4 2881 B11R1.279 COc1ccc(c(c1)F)CCl TS13601 [0,2,0,0,0,0|2,0,0]=4 2882 B11R1.279 COc1ccc(c(c1)F)CO TS41602 [0,2,0,0,0,0|2,0,0]=4 2883 B11R1.279 COc1ccc(c(c1)F)OC TS46810 [0,2,0,0,0,0|2,0,0]=4 2884 B11R1.279 COc1ccc(c(c1)I)OC TS68772 [0,2,0,0,0,0|2,0,0]=4 2885 B11R1.279 COc1ccc(c(c1)N)OC TS41275 [0,2,0,0,0,0|2,0,0]=4 2886 B11R1.279 COc1ccc(c(c1)O)CO TS10410 [0,2,0,0,0,0|1,1,0]=4 2887 B11R1.279 COc1ccc(c(c1)O)OC TS10405 [0,2,0,0,0,0|1,1,0]=4 2888 B11R1.279 COc1ccc(c(c1)S)OC TS12831 [0,2,0,0,0,0|1,0,0]=3 2889 B11R1.279 COc1ccc(cc1Br)C#N TS09329 [0,2,0,0,0,0|2,0,0]=4 2890 B11R1.279 COc1ccc(cc1Br)C=O TS44639 [0,2,0,0,0,0|2,0,0]=4 2891 B11R1.279 COc1ccc(cc1Br)CN TS21977 [0,2,0,0,0,0|2,0,0]=4 2892 B11R1.279 COc1ccc(cc1Br)CO TS59850 [0,2,0,0,0,0|2,0,0]=4 2893 B11R1.279 COc1ccc(cc1Cl)C#N TS32933 [0,2,0,0,0,0|2,0,0]=4 2894 B11R1.279 COc1ccc(cc1Cl)C=O TS12915 [0,2,0,0,0,0|2,0,0]=4 2895 B11R1.279 COc1ccc(cc1Cl)CN TS02023 [0,2,0,0,0,0|2,0,0]=4 2896 B11R1.279 COc1ccc(cc1Cl)CN TS02698 [0,2,0,0,0,0|2,0,0]=4 2897 B11R1.279 COc1ccc(cc1F)C#N TS40985 [0,2,0,0,0,0|2,0,0]=4 2898 B11R1.279 COc1ccc(cc1F)CBr TS65514 [0,2,0,0,0,0|2,0,0]=4 2899 B11R1.279 COc1ccc(cc1F)CN TS41508 [0,2,0,0,0,0|2,0,0]=4 2900 B11R1.279 COc1ccc(cc1F)CO TS41603 [0,2,0,0,0,0|2,0,0]=4 2901 B11R1.279 COc1ccc(cc1F)[Mg]Br TS52886 [0,2,0,0,0,0|2,0,0]=4 2902 B11R1.279 COc1ccc(cc1I)C=O TS08986 [0,2,0,0,0,0|2,0,0]=4 2903 B11R1.279 COc1ccc(cc1O)C#N TS70607 [0,2,0,0,0,0|1,1,0]=4 2904 B11R1.279 COc1ccc(cc1O)C=O TS70606 [0,2,0,0,0,0|1,1,0]=4 2905 B11R1.279 COc1ccc(cc1O)CN TS16250 [0,2,0,0,0,0|1,1,0]=4 2906 B11R1.279 COc1ccc(cc1O)CO TS10408 [0,2,0,0,0,0|1,1,0]=4 2907 B11R1.279 Cc1cc(ccc1OC)C=O TS01858 [0,2,0,0,0,0|2,0,0]=4 2908 B11R1.279 Cc1cc(ccc1OC)CCl TS12934 [0,2,0,0,0,0|2,0,0]=4 2909 B11R1.279 Cc1cc(ccc1OC)CO TS41137 [0,2,0,0,0,0|2,0,0]=4 2910 B11R1.279 Cc1cc(ccc1OC)OC TS65348 [0,2,0,0,0,0|2,0,0]=4 2911 B11R1.279 Cc1cc(ccc1SC)OC TS44908 [0,2,0,0,0,0|2,0,0]=4 2912 B11R1.279 c1cc(c(cc1C#N)Br)CBr TS33656 [0,2,0,0,0,0|2,0,0]=4 2913 B11R1.279 c1cc(c(cc1C#N)F)CO TS09373 [0,2,0,0,0,0|2,0,0]=4 2914 B11R1.464 COc1c(cc(cc1Br)Br)Br TS64456 [0,2,0,0,0,0|2,0,0]=4 2915 B11R1.464 COc1c(cc(cc1Br)Br)F TS34682 [0,2,0,0,0,0|2,0,0]=4 2916 B11R1.464 COc1c(cc(cc1Br)F)Br TS34681 [0,2,0,0,0,0|2,0,0]=4 2917 B11R1.464 COc1c(cc(cc1Br)F)F TS16840 [0,2,0,0,0,0|2,0,0]=4 2918 B11R1.464 COc1c(cc(cc1Cl)Br)F TS57283 [0,2,0,0,0,0|2,0,0]=4 2919 B11R1.464 COc1c(cc(cc1Cl)Cl)Cl TS21186 [0,2,0,0,0,0|2,0,0]=4 2920 B11R1.464 COc1c(cc(cc1F)F)F TS42382 [0,2,0,0,0,0|2,0,0]=4 2921 B11R1.464 Cc1cc(c(c(c1)C)CBr)C TS44302 [0,2,0,0,0,0|2,0,0]=4 2922 B11R1.464 Cc1cc(c(c(c1)C)CCl)C TS12632 [0,2,0,0,0,0|2,0,0]=4 2923 B11R1.464 Cc1cc(c(c(c1)C)CN)C TS07602 [0,2,0,0,0,0|2,0,0]=4 2924 B11R1.464 Cc1cc(c(c(c1)C)CO)C TS09925 [0,2,0,0,0,0|2,0,0]=4 2925 B11R1.464 Cc1cc(c(c(c1)C)CS)C TS43139 [0,2,0,0,0,0|2,0,0]=4 2926 B11R1.464 Cc1cc(cc(c1CN)C)O TS41035 [0,2,0,0,0,0|2,0,0]=4 2927 B11R1.464 Cc1cc(cc(c1CO)C)F TS41378 [0,2,0,0,0,0|2,0,0]=4 2928 B11R1.464 Cc1cc(cc(c1CO)C)O TS10183 [0,2,0,0,0,0|2,0,0]=4 2929 B11R1.464 Cc1cc(cc(c1OC)C)Br TS21833 [0,2,0,0,0,0|2,0,0]=4 2930 B11R1.464 Cc1cc(cc(c1OC)C)I TS68560 [0,2,0,0,0,0|2,0,0]=4 2931 B11R1.464 Cc1cc(cc(c1OC)C)N TS10082 [0,2,0,0,0,0|2,0,0]=4 2932 B11R1.464 Cc1cc(cc(c1OC)C)S TS12579 [0,2,0,0,0,0|2,0,0]=4 2933 B11R1.464 Cc1cc(cc(c1SC)C)O TS02601 [0,2,0,0,0,0|2,0,0]=4 2934 B11R1.464 c1c(cc(c(c1F)CBr)F)F TS65331 [0,2,0,0,0,0|2,0,0]=4 2935 B11R1.464 c1c(cc(c(c1F)CN)F)F TS60239 [0,2,0,0,0,0|2,0,0]=4 2936 B11R1.464 c1c(cc(c(c1F)CO)F)Br TS60044 [0,2,0,0,0,0|2,0,0]=4 2937 B11R1.464 c1c(cc(c(c1F)CO)F)F TS11493 [0,2,0,0,0,0|2,0,0]=4 2938 B11R1.167 CC(=O)c1cc(ccc1Br)Br TS31290 [0,2,0,0,0,0|1,0,1]=4 2939 B11R1.167 CC(=O)c1cc(ccc1Br)F TS08814 [0,2,0,0,0,0|1,0,1]=4 2940 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl TS47257 [0,2,0,0,0,0|1,0,1]=4 2941 B11R1.167 CC(=O)c1cc(ccc1Cl)F TS13263 [0,2,0,0,0,0|1,0,1]=4 2942 B11R1.167 CC(=O)c1cc(ccc1Cl)N TS12725 [0,2,0,0,0,0|1,0,1]=4 2943 B11R1.167 CC(=O)c1cc(ccc1F)Br TS08178 [0,2,0,0,0,0|1,0,1]=4 2944 B11R1.167 CC(=O)c1cc(ccc1F)F TS00671 [0,2,0,0,0,0|1,0,1]=4 2945 B11R1.167 CC(=O)c1cc(ccc1F)O TS41349 [0,2,0,0,0,0|1,0,1]=4 2946 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [0,2,0,0,0,0|0,1,1]=4 2947 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [0,2,0,0,0,0|0,1,1]=4 2948 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [0,2,0,0,0,0|0,1,1]=4 2949 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [0,2,0,0,0,0|0,1,1]=4 2950 B11R1.167 CC(c1cc(ccc1Cl)Cl)N TS16292 [0,2,0,0,0,0|1,0,0]=3 2951 B11R1.167 CC(c1cc(ccc1Cl)Cl)O TS65343 [0,2,0,0,0,0|1,0,0]=3 2952 B11R1.167 CC(c1cc(ccc1F)Br)O TS22531 [0,2,0,0,0,0|1,0,0]=3 2953 B11R1.167 CC(c1cc(ccc1O)Cl)O TS45560 [0,2,0,0,0,0|0,1,0]=3 2954 B11R1.167 CC(c1cc(cnc1F)Br)O TS49701 [0,2,0,0,0,0|2,0,0]=4 2955 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [0,2,0,0,0,0|1,0,1]=4 2956 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [0,2,0,0,0,0|1,0,1]=4 2957 B11R1.167 Cc1ccc(c(c1)C(C)C)O TS40907 [0,2,0,0,0,0|0,1,0]=3 2958 B11R1.167 Cc1ccc(c(c1)C(C)O)C TS40905 [0,2,0,0,0,0|1,0,0]=3 2959 B11R1.167 Cc1ccc(c(c1)[C@H](C)N)C TS40774 [0,2,0,0,0,0|1,0,0]=3 2960 B11R1.167 Cc1ccc(cc1C(C)C)N TS40778 [0,2,0,0,0,0|1,0,0]=3 2961 B11R1.167 Cc1ccc(cc1N(C)C)N TS09950 [0,2,0,0,0,0|2,0,0]=4 2962 B11R1.167 c1cc(c(cc1Br)C(=O)O)S TS25340 [0,2,0,0,0,0|1,0,1]=4 2963 B11R1.167 c1cc(c(cc1Br)C(F)F)F TS52107 [0,2,0,0,0,0|2,0,0]=4 2964 B11R1.167 c1cc(c(cc1Cl)C(=O)O)S TS50836 [0,2,0,0,0,0|1,0,1]=4 2965 B11R1.167 c1cc(c(cc1Cl)C(F)F)F TS47990 [0,2,0,0,0,0|2,0,0]=4 2966 B11R1.167 c1cc(c(cc1F)C(=O)O)S TS13136 [0,2,0,0,0,0|1,0,1]=4 2967 B11R1.280 CCc1cc(ccc1N)C#N TS70879 [0,2,0,0,0,0|1,0,0]=3 2968 B11R1.280 CCc1ccc(c(c1)CC)C TS40685 [0,2,0,0,0,0|1,0,0]=3 2969 B11R1.280 CCc1ccc(c(c1)OC)O TS41147 [0,2,0,0,0,0|1,1,0]=4 2970 B11R1.280 COc1cc(ccc1F)C#N TS71118 [0,2,0,0,0,0|2,0,0]=4 2971 B11R1.280 COc1cc(ccc1F)C=O TS02813 [0,2,0,0,0,0|2,0,0]=4 2972 B11R1.280 COc1cc(ccc1F)CBr TS60401 [0,2,0,0,0,0|2,0,0]=4 2973 B11R1.280 COc1cc(ccc1F)CCl TS13590 [0,2,0,0,0,0|2,0,0]=4 2974 B11R1.280 COc1cc(ccc1F)CO TS41605 [0,2,0,0,0,0|2,0,0]=4 2975 B11R1.280 COc1cc(ccc1O)C#N TS03114 [0,2,0,0,0,0|1,1,0]=4 2976 B11R1.280 COc1cc(ccc1O)C=C TS40861 [0,2,0,0,0,0|1,1,0]=4 2977 B11R1.280 COc1cc(ccc1O)C=O TS02812 [0,2,0,0,0,0|1,1,0]=4 2978 B11R1.280 COc1cc(ccc1O)CN TS16249 [0,2,0,0,0,0|1,1,0]=4 2979 B11R1.280 COc1cc(ccc1O)CO TS10411 [0,2,0,0,0,0|1,1,0]=4 2980 B11R1.280 COc1ccc(c(c1)CCl)F TS13600 [0,2,0,0,0,0|2,0,0]=4 2981 B11R1.280 COc1ccc(c(c1)CN)F TS51363 [0,2,0,0,0,0|2,0,0]=4 2982 B11R1.280 COc1ccc(c(c1)CO)Br TS49205 [0,2,0,0,0,0|2,0,0]=4 2983 B11R1.280 COc1ccc(c(c1)CO)Cl TS45564 [0,2,0,0,0,0|2,0,0]=4 2984 B11R1.280 COc1ccc(c(c1)CO)F TS41599 [0,2,0,0,0,0|2,0,0]=4 2985 B11R1.280 COc1ccc(c(c1)CO)O TS10417 [0,2,0,0,0,0|1,1,0]=4 2986 B11R1.280 COc1ccc(c(c1)OC)Br TS46908 [0,2,0,0,0,0|2,0,0]=4 2987 B11R1.280 COc1ccc(c(c1)OC)Cl TS45569 [0,2,0,0,0,0|2,0,0]=4 2988 B11R1.280 COc1ccc(c(c1)OC)F TS09239 [0,2,0,0,0,0|2,0,0]=4 2989 B11R1.280 COc1ccc(c(c1)OC)I TS68774 [0,2,0,0,0,0|2,0,0]=4 2990 B11R1.280 COc1ccc(c(c1)OC)N TS41274 [0,2,0,0,0,0|2,0,0]=4 2991 B11R1.280 COc1ccc(c(c1)OC)S TS12829 [0,2,0,0,0,0|1,0,0]=3 2992 B11R1.280 Cc1ccc(cc1OC)C#N TS39447 [0,2,0,0,0,0|2,0,0]=4 2993 B11R1.280 Cc1ccc(cc1OC)C=O TS02815 [0,2,0,0,0,0|2,0,0]=4 2994 B11R1.280 Cc1ccc(cc1OC)OC TS41129 [0,2,0,0,0,0|2,0,0]=4 2995 B11R1.87 CC(C)(C)c1ccccc1N TS65054 [0,2,0,0,0,0|1,0,0]=3 2996 B11R1.87 CC(C)(C)c1ccccc1O TS09922 [0,2,0,0,0,0|0,1,0]=3 2997 B11R1.87 CC(C)(C)c1ccccc1S TS43141 [0,2,0,0,0,0|0,0,0]=2 2998 B11R1.87 CC(C)(c1ccccc1N)O TS41042 [0,2,0,0,0,0|1,0,0]=3 2999 B11R1.87 CS(=O)(=O)c1ccccc1Br TS56617 [0,2,0,0,0,0|2,0,0]=4 3000 B11R1.87 CS(=O)(=O)c1ccccc1Cl TS51206 [0,2,0,0,0,0|2,0,0]=4 3001 B11R1.87 CS(=O)(=O)c1ccccc1N TS13014 [0,2,0,0,0,0|2,0,0]=4 3002 B11R1.87 CS(=O)(=O)c1ccccc1O TS45454 [0,2,0,0,0,0|1,1,0]=4 3003 B11R1.87 Cc1ccccc1C(C)(C)C TS07504 [0,2,0,0,0,0|1,0,0]=3 3004 B11R1.87 Cc1ccccc1C(F)(F)F TS46988 [0,2,0,0,0,0|2,0,0]=4 3005 B11R1.87 c1ccc(c(c1)C(Cl)(Cl)Cl)Cl TS52920 [0,2,0,0,0,0|2,0,0]=4 3006 B11R1.87 c1ccc(c(c1)C(Cl)(Cl)Cl)F TS21551 [0,2,0,0,0,0|2,0,0]=4 3007 B11R1.87 c1ccc(c(c1)C(F)(F)Cl)Cl TS53792 [0,2,0,0,0,0|2,0,0]=4 3008 B11R1.87 c1ccc(c(c1)C(F)(F)F)Br TS60272 [0,2,0,0,0,0|2,0,0]=4 3009 B11R1.87 c1ccc(c(c1)C(F)(F)F)Cl TS47992 [0,2,0,0,0,0|2,0,0]=4 3010 B11R1.87 c1ccc(c(c1)C(F)(F)F)F TS60289 [0,2,0,0,0,0|2,0,0]=4 3011 B11R1.87 c1ccc(c(c1)C(F)(F)F)I TS01079 [0,2,0,0,0,0|2,0,0]=4 3012 B11R1.87 c1ccc(c(c1)C(F)(F)F)N TS39687 [0,2,0,0,0,0|2,0,0]=4 3013 B11R1.87 c1ccc(c(c1)C(F)(F)F)S TS14159 [0,2,0,0,0,0|1,0,0]=3 3014 B11R1.156 CC(=O)c1c(cccc1Cl)Cl TS50844 [0,2,0,0,0,0|1,0,1]=4 3015 B11R1.156 CC(=O)c1c(cccc1Cl)F TS45556 [0,2,0,0,0,0|1,0,1]=4 3016 B11R1.156 CC(=O)c1c(cccc1F)F TS34647 [0,2,0,0,0,0|1,0,1]=4 3017 B11R1.156 CC(=O)c1c(cccc1F)O TS41346 [0,2,0,0,0,0|0,1,1]=4 3018 B11R1.156 CC(=O)c1c(cccc1O)O TS10125 [0,2,0,0,0,0|0,1,1]=4 3019 B11R1.156 CC(c1c(cccc1Cl)Cl)O TS17226 [0,2,0,0,0,0|1,0,0]=3 3020 B11R1.156 C[C@@H](c1c(cccc1Cl)F)N TS13421 [0,2,0,0,0,0|1,0,0]=3 3021 B11R1.156 Cc1cccc(c1C(=O)C)C TS07473 [0,2,0,0,0,0|1,0,1]=4 3022 B11R1.156 c1cc(c(c(c1)Cl)C(Cl)Cl)Cl TS52916 [0,2,0,0,0,0|2,0,0]=4 3023 B9R1.11 CCC(=O)c1ccco1 TS07974 [0,0,1,1,0,0|1,1,0]=4 3024 B9R1.11 CCC(=O)c1cccs1 TS37392 [0,0,1,1,0,0|1,0,0]=3 3025 B9R1.11 CCC(=O)c1nccs1 TS37503 [0,0,1,1,0,0|2,0,0]=4 3026 B9R1.11 COC(=O)c1cccs1 TS37577 [0,0,1,1,0,0|2,0,0]=4 3027 B9R1.11 COC(=O)c1cccs1 TS37579 [0,0,1,1,0,0|2,0,0]=4 3028 B9R1.11 c1cc(sc1)C(=O)CBr TS47079 [0,0,1,1,0,0|2,0,0]=4 3029 B9R1.11 c1cc(sc1)C(=O)CCl TS42252 [0,0,1,1,0,0|2,0,0]=4 3030 B9R1.21 CCc1csc(n1)C=O TS71101 [0,0,1,1,0,0|2,0,0]=4 3031 B9R2.50 c1ccc2c(c1)CC2 TS04044 [1,0,0,1,0,0|0,0,0]=2 3032 B11R2.106 Cc1cccc2c1NCC2 TS39800 [0,1,0,1,0,0|1,0,0]=3 3033 B11R2.106 Cc1cccc2c1ccs2 TS60064 [0,1,0,1,0,0|0,0,2]=4 3034 B11R2.106 Cc1cccc2c1scc2 TS07497 [0,1,0,1,0,0|0,0,2]=4 3035 B11R2.106 c1c2c(c(cn1)Br)NCC2 TS87581 [0,1,0,1,0,0|2,0,0]=4 3036 B11R2.106 c1cc(c2c(c1)NCC2)N TS05908 [0,1,0,1,0,0|1,0,0]=3 3037 B11R2.106 c1cc(c2c(c1)OCC2)N TS07697 [0,1,0,1,0,0|0,1,0]=3 3038 B11R2.106 c1cc(c2c(c1)OCO2)N TS32755 [0,1,0,1,0,0|1,1,0]=4 3039 B11R2.106 c1cc(c2c(c1)ncs2)N TS09903 [0,1,0,1,0,0|1,0,1]=4 3040 B11R2.106 c1cc(c2c(c1)scn2)O TS71169 [0,1,0,1,0,0|1,0,1]=4 3041 B11R2.106 c1cc(c2ccsc2c1)N TS00402 [0,1,0,1,0,0|0,0,2]=4 3042 B11R2.106 c1cc2c(c(c1)Br)CCC2 TS89098 [0,1,0,1,0,0|1,0,0]=3 3043 B11R2.106 c1cc2c(c(c1)Br)CCN2 TS53950 [0,1,0,1,0,0|1,0,0]=3 3044 B11R2.106 c1cc2c(c(c1)Br)CNC2 TS53948 [0,1,0,1,0,0|1,0,0]=3 3045 B11R2.106 c1cc2c(c(c1)Br)CNC2 TS56566 [0,1,0,1,0,0|1,0,0]=3 3046 B11R2.106 c1cc2c(c(c1)Br)OCO2 TS03032 [0,1,0,1,0,0|1,1,0]=4 3047 B11R2.106 c1cc2c(c(c1)Br)scn2 TS87473 [0,1,0,1,0,0|1,0,1]=4 3048 B11R2.106 c1cc2c(c(c1)Cl)CC=C2 TS09973 [0,1,0,1,0,0|1,0,1]=4 3049 B11R2.106 c1cc2c(c(c1)Cl)CCN2 TS09013 [0,1,0,1,0,0|1,0,0]=3 3050 B11R2.106 c1cc2c(c(c1)Cl)CCO2 TS10531 [0,1,0,1,0,0|0,1,0]=3 3051 B11R2.106 c1cc2c(c(c1)Cl)CNC2 TS51016 [0,1,0,1,0,0|1,0,0]=3 3052 B11R2.106 c1cc2c(c(c1)F)CNC2 TS45698 [0,1,0,1,0,0|1,0,0]=3 3053 B11R2.106 c1cc2c(c(c1)I)CCN2 TS62109 [0,1,0,1,0,0|1,0,0]=3 3054 B11R2.106 c1cc2c(c(c1)N)CCC2 TS36770 [0,1,0,1,0,0|1,0,0]=3 3055 B11R2.106 c1cc2c(c(c1)N)NCC2 TS20315 [0,1,0,1,0,0|1,0,0]=3 3056 B11R2.106 c1cc2c(c(c1)O)CC=C2 TS36662 [0,1,0,1,0,0|0,1,1]=4 3057 B11R2.106 c1cc2c(ccs2)c(c1)Br TS88080 [0,1,0,1,0,0|0,0,2]=4 3058 B11R2.106 c1cc2ccsc2c(c1)Cl TS12629 [0,1,0,1,0,0|0,0,2]=4 3059 B11R2.106 c1cnc(c2c1NCC2)Cl TS90893 [0,1,0,1,0,0|2,0,0]=4 3060 B11R2.173 C=Cc1cccc2c1CC2 TS60073 [0,1,0,1,0,0|1,0,0]=3 3061 B11R2.173 c1cc2c(c(c1)CO)CC2 TS03126 [0,1,0,1,0,0|0,1,0]=3 3062 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [0,1,0,1,0,0|1,0,0]=3 3063 B11R2.10 CC1Cc2ccccc2N1 TS05844 [0,1,0,1,0,0|1,0,0]=3 3064 B11R2.10 CC1Cc2ccccc2O1 TS36849 [0,1,0,1,0,0|0,1,0]=3 3065 B11R2.10 Cc1[nH]c2ccccc2n1 TS01130 [0,1,0,1,0,0|1,0,1]=4 3066 B11R2.10 Cc1cc2ccccc2[nH]1 TS65605 [0,1,0,1,0,0|1,0,1]=4 3067 B11R2.10 Cc1cc2ccccc2o1 TS01131 [0,1,0,1,0,0|0,1,1]=4 3068 B11R2.10 Cc1cc2ccccc2s1 TS07494 [0,1,0,1,0,0|0,0,1]=3 3069 B11R2.10 Cc1nc2ccccc2[se]1 TS53597 [0,1,0,1,0,0|0,1,1]=4 3070 B11R2.10 Cc1nc2ccccc2o1 TS36749 [0,1,0,1,0,0|0,1,1]=4 3071 B11R2.10 Cc1nc2ccccc2s1 TS01132 [0,1,0,1,0,0|0,0,1]=3 3072 B11R2.10 Cn1cc2ccccc2n1 TS86923 [0,1,0,1,0,0|1,0,1]=4 3073 B11R2.10 Cn1nc2ccccc2n1 TS05822 [0,1,0,1,0,0|2,0,0]=4 3074 B11R2.10 c1ccc2c(c1)CC(=C2)Br TS51952 [0,1,0,1,0,0|1,0,1]=4 3075 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [0,1,0,1,0,0|1,0,1]=4 3076 B11R2.10 c1ccc2c(c1)CC(=O)O2 TS36798 [0,1,0,1,0,0|0,1,1]=4 3077 B11R2.10 c1ccc2c(c1)CC(=S)N2 TS07593 [0,1,0,1,0,0|1,0,1]=4 3078 B11R2.10 c1ccc2c(c1)CC(C2)I TS94847 [0,1,0,1,0,0|1,0,0]=3 3079 B11R2.10 c1ccc2c(c1)CC(C2)O TS55408 [0,1,0,1,0,0|1,0,0]=3 3080 B11R2.10 c1ccc2c(c1)nc(s2)Br TS00846 [0,1,0,1,0,0|1,0,1]=4 3081 B11R2.10 c1ccc2c(c1)nc(s2)Cl TS07939 [0,1,0,1,0,0|1,0,1]=4 3082 B11R2.10 c1ccc2c(c1)nc(s2)F TS41271 [0,1,0,1,0,0|1,0,1]=4 3083 B11R2.10 c1ccc2c(c1)nc(s2)N TS47465 [0,1,0,1,0,0|1,0,1]=4 3084 B11R2.10 c1ccc2c(c1)nc(s2)S TS39815 [0,1,0,1,0,0|1,0,1]=4 3085 B11R2.10 c1ccc2c(c1)nc(s2)S TS80959 [0,1,0,1,0,0|1,0,1]=4 3086 B11R2.20 c1cc2c(nc1)CCCC2 TS71334 [0,1,0,1,0,0|2,0,0]=4 3087 B11R2.20 c1cc2c(nc1)CCCN2 TS05910 [0,1,0,1,0,0|2,0,0]=4 3088 B11R2.20 c1cc2c(nc1)CCNC2 TS16957 [0,1,0,1,0,0|2,0,0]=4 3089 B11R2.20 c1cc2c(nc1)CCNC2 TS94341 [0,1,0,1,0,0|2,0,0]=4 3090 B11R2.20 c1cc2c(nc1)CNCC2 TS02254 [0,1,0,1,0,0|2,0,0]=4 3091 B11R2.20 c1cc2c(nc1)CNCC2 TS86659 [0,1,0,1,0,0|2,0,0]=4 3092 B11R2.20 c1cc2c(nc1)NCCC2 TS05909 [0,1,0,1,0,0|2,0,0]=4 3093 B11R2.20 c1cc2c(nc1)NCCO2 TS02543 [0,1,0,1,0,0|1,1,0]=4 3094 B11R2.20 c1cc2c(nc1)OCCN2 TS87732 [0,1,0,1,0,0|1,1,0]=4 3095 B11R2.20 c1cc2c(nc1)OCCO2 TS37086 [0,1,0,1,0,0|1,1,0]=4 3096 B11R2.20 c1ccc2c(c1)CC=CC2 TS16693 [0,1,0,1,0,0|1,0,1]=4 3097 B11R2.20 c1ccc2c(c1)CCC=C2 TS36512 [0,1,0,1,0,0|1,0,0]=3 3098 B11R2.20 c1ccc2c(c1)CCCC2 TS36696 [0,1,0,1,0,0|1,0,0]=3 3099 B11R2.20 c1ccc2c(c1)CCCC2 TS73725 [0,1,0,1,0,0|1,0,0]=3 3100 B11R2.20 c1ccc2c(c1)CCCN2 TS00337 [0,1,0,1,0,0|1,0,0]=3 3101 B11R2.20 c1ccc2c(c1)CCN=C2 TS02548 [0,1,0,1,0,0|1,0,0]=3 3102 B11R2.20 c1ccc2c(c1)CCOC2 TS01923 [0,1,0,1,0,0|0,1,0]=3 3103 B11R2.20 c1ccc2c(c1)CNCO2 TS36914 [0,1,0,1,0,0|0,1,0]=3 3104 B11R2.20 c1ccc2c(c1)NCCN2 TS00343 [0,1,0,1,0,0|1,0,0]=3 3105 B11R2.20 c1ccc2c(c1)NCCO2 TS45382 [0,1,0,1,0,0|0,1,0]=3 3106 B11R2.20 c1ccc2c(c1)NCCO2 TS81066 [0,1,0,1,0,0|0,1,0]=3 3107 B11R2.20 c1ccc2c(c1)OCCO2 TS00382 [0,1,0,1,0,0|0,1,0]=3 3108 B11R2.20 c1ccc2c(c1)SCCS2 TS12590 [0,1,0,1,0,0|0,0,0]=2 3109 B11R2.20 c1cncc2c1CCCC2 TS16964 [0,1,0,1,0,0|2,0,0]=4 3110 B11R2.20 c1cncc2c1CCNC2 TS05913 [0,1,0,1,0,0|2,0,0]=4 3111 B11R2.988 c1ccc2c(c1)CC2CO TS36669 [0,1,0,1,0,0|1,0,0]=3 3112 B11R2.1 CC1C=Cc2c1cccc2 TS36509 [0,1,0,1,0,0|1,0,0]=3 3113 B11R2.1 CC1CNc2c1cccc2 TS05845 [0,1,0,1,0,0|1,0,0]=3 3114 B11R2.1 CN1CCc2c1cccc2 TS36778 [0,1,0,1,0,0|1,0,0]=3 3115 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [0,1,0,1,0,0|1,0,1]=4 3116 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [0,1,0,1,0,0|1,0,1]=4 3117 B11R2.1 Cc1c2ccccc2on1 TS36752 [0,1,0,1,0,0|0,1,1]=4 3118 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [0,1,0,1,0,0|1,0,1]=4 3119 B11R2.1 Cc1coc2c1cccc2 TS36667 [0,1,0,1,0,0|0,1,1]=4 3120 B11R2.1 Cc1csc2c1cccc2 TS07495 [0,1,0,1,0,0|0,0,1]=3 3121 B11R2.1 Cn1c2ccccc2cn1 TS36679 [0,1,0,1,0,0|2,0,0]=4 3122 B11R2.1 Cn1c2ccccc2nn1 TS01810 [0,1,0,1,0,0|2,0,0]=4 3123 B11R2.1 Cn1ccc2c1cccc2 TS00492 [0,1,0,1,0,0|2,0,0]=4 3124 B11R2.1 Cn1cnc2c1cccc2 TS36688 [0,1,0,1,0,0|2,0,0]=4 3125 B11R2.1 c1cc2c(nc1)C(=O)CC2 TS71343 [0,1,0,1,0,0|1,1,0]=4 3126 B11R2.1 c1cc2c(nc1)C(CC2)O TS36915 [0,1,0,1,0,0|1,1,0]=4 3127 B11R2.1 c1cc2c(nc1)CCC2=O TS01198 [0,1,0,1,0,0|1,1,0]=4 3128 B11R2.1 c1cc2c(nc1)CCC2N TS59726 [0,1,0,1,0,0|2,0,0]=4 3129 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [0,1,0,1,0,0|0,1,1]=4 3130 B11R2.1 c1ccc2c(c1)C(CO2)N TS05988 [0,1,0,1,0,0|0,1,0]=3 3131 B11R2.1 c1ccc2c(c1)C(CO2)N TS45384 [0,1,0,1,0,0|0,1,0]=3 3132 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [0,1,0,1,0,0|1,0,1]=4 3133 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,1,0,1,0,0|0,1,0]=3 3134 B11R2.1 c1ccc2c(c1)CCC2Cl TS41220 [0,1,0,1,0,0|1,0,0]=3 3135 B11R2.1 c1ccc2c(c1)CCC2N TS05846 [0,1,0,1,0,0|1,0,0]=3 3136 B11R2.1 c1ccc2c(c1)CCC2N TS45061 [0,1,0,1,0,0|1,0,0]=3 3137 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [0,1,0,1,0,0|0,1,0]=3 3138 B11R2.1 c1ccc2c(c1)CC[C@@H]2N TS36779 [0,1,0,1,0,0|1,0,0]=3 3139 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [0,1,0,1,0,0|0,1,0]=3 3140 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS01966 [0,1,0,1,0,0|1,0,0]=3 3141 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS08065 [0,1,0,1,0,0|1,0,0]=3 3142 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [0,1,0,1,0,0|0,1,0]=3 3143 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [0,1,0,1,0,0|2,0,0]=4 3144 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [0,1,0,1,0,0|1,1,0]=4 3145 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [0,1,0,1,0,0|1,1,0]=4 3146 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 TS93611 [0,1,0,1,0,0|1,0,1]=4 3147 B11R2.1 c1ccc2c(c1)c(=O)ss2 TS12573 [0,1,0,1,0,0|1,0,1]=4 3148 B11R2.1 c1ccc2c(c1)c(cs2)Br TS65900 [0,1,0,1,0,0|0,0,2]=4 3149 B11R2.1 c1ccc2c(c1)c(cs2)I TS29427 [0,1,0,1,0,0|0,0,2]=4 3150 B11R2.1 c1ccc2c(c1)c(cs2)O TS70621 [0,1,0,1,0,0|0,0,2]=4 3151 B11R2.1 c1ccc2c(c1)c(ns2)Cl TS12734 [0,1,0,1,0,0|1,0,1]=4 3152 B11R2.1 c1ccc2c(c1)c(ns2)N TS46772 [0,1,0,1,0,0|1,0,1]=4 3153 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [0,1,0,1,0,0|1,0,0]=3 3154 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [0,1,0,1,0,0|1,0,0]=3 3155 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [0,1,0,1,0,0|1,1,0]=4 3156 B11R2.36 Cc1ccc2c(c1)ccs2 TS01153 [0,1,0,1,0,0|0,0,2]=4 3157 B11R2.36 Cc1ccc2c(c1)scn2 TS07592 [0,1,0,1,0,0|1,0,1]=4 3158 B11R2.36 c1c(cnc2c1CCC2)Br TS53949 [0,1,0,1,0,0|2,0,0]=4 3159 B11R2.36 c1c(cnc2c1CCC2)N TS05911 [0,1,0,1,0,0|2,0,0]=4 3160 B11R2.36 c1c(cnc2c1CCN2)Br TS16970 [0,1,0,1,0,0|2,0,0]=4 3161 B11R2.36 c1cc(nc2c1CCC2)Cl TS32914 [0,1,0,1,0,0|2,0,0]=4 3162 B11R2.36 c1cc(nc2c1CCC2)O TS29456 [0,1,0,1,0,0|2,0,0]=4 3163 B11R2.36 c1cc2c(cc1Br)C=CC2 TS03252 [0,1,0,1,0,0|1,0,1]=4 3164 B11R2.36 c1cc2c(cc1Br)CCN2 TS09804 [0,1,0,1,0,0|1,0,0]=3 3165 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [0,1,0,1,0,0|0,1,0]=3 3166 B11R2.36 c1cc2c(cc1Br)CNC2 TS09806 [0,1,0,1,0,0|2,0,0]=4 3167 B11R2.36 c1cc2c(cc1Br)ncs2 TS71457 [0,1,0,1,0,0|1,0,1]=4 3168 B11R2.36 c1cc2c(cc1Br)scn2 TS55556 [0,1,0,1,0,0|1,0,1]=4 3169 B11R2.36 c1cc2c(cc1Cl)C=CC2 TS09974 [0,1,0,1,0,0|1,0,1]=4 3170 B11R2.36 c1cc2c(cc1Cl)CCN2 TS41319 [0,1,0,1,0,0|1,0,0]=3 3171 B11R2.36 c1cc2c(cc1Cl)NCC2 TS41318 [0,1,0,1,0,0|1,0,0]=3 3172 B11R2.36 c1cc2c(cc1Cl)NCC2 TS55565 [0,1,0,1,0,0|1,0,0]=3 3173 B11R2.36 c1cc2c(cc1Cl)OCO2 TS10792 [0,1,0,1,0,0|1,1,0]=4 3174 B11R2.36 c1cc2c(cc1Cl)ncs2 TS12735 [0,1,0,1,0,0|1,0,1]=4 3175 B11R2.36 c1cc2c(cc1Cl)scn2 TS12737 [0,1,0,1,0,0|1,0,1]=4 3176 B11R2.36 c1cc2c(cc1Cl)snn2 TS45249 [0,1,0,1,0,0|2,0,0]=4 3177 B11R2.36 c1cc2c(cc1F)C=CC2 TS05891 [0,1,0,1,0,0|1,0,1]=4 3178 B11R2.36 c1cc2c(cc1F)CCN2 TS06181 [0,1,0,1,0,0|1,0,0]=3 3179 B11R2.36 c1cc2c(cc1F)CNC2 TS39775 [0,1,0,1,0,0|2,0,0]=4 3180 B11R2.36 c1cc2c(cc1F)NCC2 TS06182 [0,1,0,1,0,0|1,0,0]=3 3181 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [0,1,0,1,0,0|0,1,0]=3 3182 B11R2.36 c1cc2c(cc1I)OCO2 TS62506 [0,1,0,1,0,0|1,1,0]=4 3183 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [0,1,0,1,0,0|1,0,0]=3 3184 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [0,1,0,1,0,0|0,1,0]=3 3185 B11R2.36 c1cc2c(cc1N)NCC2 TS20316 [0,1,0,1,0,0|1,0,0]=3 3186 B11R2.36 c1cc2c(cc1N)OCO2 TS59883 [0,1,0,1,0,0|1,1,0]=4 3187 B11R2.36 c1cc2c(cc1N)ncs2 TS09908 [0,1,0,1,0,0|1,0,1]=4 3188 B11R2.36 c1cc2c(cc1N)scn2 TS01203 [0,1,0,1,0,0|1,0,1]=4 3189 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [0,1,0,1,0,0|1,0,0]=3 3190 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [0,1,0,1,0,0|0,1,0]=3 3191 B11R2.36 c1cc2c(cc1O)OCO2 TS39810 [0,1,0,1,0,0|1,1,0]=4 3192 B11R2.36 c1cc2c(ccs2)cc1Br TS71466 [0,1,0,1,0,0|0,0,2]=4 3193 B11R2.36 c1cc2c(ccs2)cc1Br TS93234 [0,1,0,1,0,0|0,0,2]=4 3194 B11R2.36 c1cc2c(ccs2)cc1Cl TS71511 [0,1,0,1,0,0|0,0,2]=4 3195 B11R2.36 c1cc2c(ccs2)cc1N TS60421 [0,1,0,1,0,0|0,0,2]=4 3196 B7R1.1 CCc1[nH]ccn1 TS31379 [1,0,0,0,1,0|2,0,0]=4 3197 B7R1.1 CCc1cc[nH]c1 TS03698 [1,0,0,0,1,0|1,0,0]=3 3198 B7R1.1 CCc1ccc[nH]1 TS03700 [1,0,0,0,1,0|1,0,0]=3 3199 B7R1.1 CCc1ccco1 TS31365 [1,0,0,0,1,0|1,0,0]=3 3200 B7R1.1 CCc1cccs1 TS04335 [1,0,0,0,1,0|1,0,0]=3 3201 B7R1.1 CCc1ccsc1 TS04333 [1,0,0,0,1,0|1,0,0]=3 3202 B7R1.1 CCc1nccs1 TS32027 [1,0,0,0,1,0|2,0,0]=4 3203 B7R1.1 CCn1cccc1 TS03701 [1,0,0,0,1,0|1,0,0]=3 3204 B7R1.1 CCn1cccn1 TS77180 [1,0,0,0,1,0|2,0,0]=4 3205 B7R1.1 CCn1ccnc1 TS31376 [1,0,0,0,1,0|2,0,0]=4 3206 B7R1.1 COc1ccco1 TS03757 [1,0,0,0,1,0|2,0,0]=4 3207 B7R1.1 COc1cccs1 TS39279 [1,0,0,0,1,0|2,0,0]=4 3208 B7R1.1 COc1ccsc1 TS70649 [1,0,0,0,1,0|2,0,0]=4 3209 B7R1.1 CSc1cccs1 TS05614 [1,0,0,0,1,0|2,0,0]=4 3210 B7R1.1 CSc1ccsc1 TS05615 [1,0,0,0,1,0|2,0,0]=4 3211 B7R1.1 c1cc([nH]c1)CN TS31377 [1,0,0,0,1,0|2,0,0]=4 3212 B7R1.1 c1cc(oc1)CN TS03749 [1,0,0,0,1,0|2,0,0]=4 3213 B7R1.1 c1cc(oc1)CO TS03766 [1,0,0,0,1,0|2,0,0]=4 3214 B7R1.1 c1cc(oc1)CS TS32087 [1,0,0,0,1,0|2,0,0]=4 3215 B7R1.1 c1cc(sc1)CCl TS01778 [1,0,0,0,1,0|2,0,0]=4 3216 B7R1.1 c1cc(sc1)CN TS65663 [1,0,0,0,1,0|2,0,0]=4 3217 B7R1.1 c1cc(sc1)CO TS32088 [1,0,0,0,1,0|2,0,0]=4 3218 B7R1.1 c1cc(sc1)CS TS05613 [1,0,0,0,1,0|2,0,0]=4 3219 B7R1.1 c1cocc1CN TS31397 [1,0,0,0,1,0|2,0,0]=4 3220 B7R1.1 c1cocc1CN TS36795 [1,0,0,0,1,0|2,0,0]=4 3221 B7R1.1 c1cocc1CO TS02782 [1,0,0,0,1,0|2,0,0]=4 3222 B7R1.1 c1cscc1CBr TS65954 [1,0,0,0,1,0|2,0,0]=4 3223 B7R1.1 c1cscc1CCl TS36736 [1,0,0,0,1,0|2,0,0]=4 3224 B7R1.1 c1cscc1CN TS86063 [1,0,0,0,1,0|2,0,0]=4 3225 B7R1.1 c1cscc1CO TS70716 [1,0,0,0,1,0|2,0,0]=4 3226 B7R1.4 Cc1c(cco1)S TS32089 [1,0,0,0,1,0|1,0,0]=3 3227 B7R1.4 Cc1c(cco1)S TS41631 [1,0,0,0,1,0|1,0,0]=3 3228 B7R1.4 Cc1c(ccs1)S TS59980 [1,0,0,0,1,0|1,0,0]=3 3229 B7R1.4 Cc1c[nH]cc1C TS89902 [1,0,0,0,1,0|2,0,0]=4 3230 B7R1.4 Cc1ccoc1C TS31373 [1,0,0,0,1,0|2,0,0]=4 3231 B7R1.4 Cc1ccsc1Br TS08660 [1,0,0,0,1,0|2,0,0]=4 3232 B7R1.4 Cc1ccsc1C TS04331 [1,0,0,0,1,0|2,0,0]=4 3233 B7R1.4 Cc1ccsc1Cl TS36735 [1,0,0,0,1,0|2,0,0]=4 3234 B7R1.4 Cc1cscc1Br TS09459 [1,0,0,0,1,0|2,0,0]=4 3235 B7R1.4 Cc1cscc1C TS59997 [1,0,0,0,1,0|2,0,0]=4 3236 B7R1.4 Cn1ccnc1S TS60134 [1,0,0,0,1,0|2,0,0]=4