0 B9R1.15 CCc1c(cncn1)F TS71104 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.15 CCc1c(nccn1)C TS04922 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.15 CCc1ccccc1Br TS15420 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 CCc1ccccc1C TS16337 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.15 CCc1ccccc1Cl TS37450 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 CCc1ccccc1I TS25157 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 CCc1ccccc1N TS32474 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 CCc1ccccc1O TS04900 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 CCc1ccccc1S TS06304 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 CCc1cccnc1C TS32475 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.15 CCc1ccncc1C TS32464 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 CCc1cnccc1C TS32480 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 CCc1cncnc1Cl TS71037 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 CCc1cncnc1O TS05018 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.15 CNc1c(cccn1)Br TS49024 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.15 CNc1c(cccn1)Cl TS44725 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.15 CNc1ccccc1Cl TS37531 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.15 CNc1ccccc1F TS56413 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.15 CNc1ccccc1N TS01587 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.15 CNc1ccccc1N TS41998 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.15 CNc1ccccc1N TS60152 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.15 CNc1ccccc1O TS04968 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.15 CNc1cccnc1Br TS49018 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.15 CNc1cccnc1Cl TS06799 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.15 CNc1cccnc1Cl TS46508 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.15 COc1c(cccn1)Br TS65905 [0,0,0,0,0,0|2,1,0]=3 26 B9R1.15 COc1c(cccn1)Cl TS65976 [0,0,0,0,0,0|2,1,0]=3 27 B9R1.15 COc1c(cccn1)F TS36212 [0,0,0,0,0,0|2,1,0]=3 28 B9R1.15 COc1c(cccn1)I TS02808 [0,0,0,0,0,0|2,1,0]=3 29 B9R1.15 COc1c(cccn1)N TS02635 [0,0,0,0,0,0|2,1,0]=3 30 B9R1.15 COc1c(nccn1)Cl TS55197 [0,0,0,0,0,0|1,1,0]=2 31 B9R1.15 COc1c(nccn1)N TS47372 [0,0,0,0,0,0|1,1,0]=2 32 B9R1.15 COc1ccccc1Br TS00023 [0,0,0,0,0,0|3,1,0]=4 33 B9R1.15 COc1ccccc1Cl TS37688 [0,0,0,0,0,0|3,1,0]=4 34 B9R1.15 COc1ccccc1F TS60288 [0,0,0,0,0,0|3,1,0]=4 35 B9R1.15 COc1ccccc1I TS09308 [0,0,0,0,0,0|3,1,0]=4 36 B9R1.15 COc1ccccc1N TS29238 [0,0,0,0,0,0|3,1,0]=4 37 B9R1.15 COc1ccccc1N TS59329 [0,0,0,0,0,0|3,1,0]=4 38 B9R1.15 COc1ccccc1P TS06425 [0,0,0,0,0,0|3,1,0]=4 39 B9R1.15 COc1ccccc1S TS37393 [0,0,0,0,0,0|3,1,0]=4 40 B9R1.15 COc1ccccc1[Zn+] TS74540 [0,0,0,0,0,0|3,1,0]=4 41 B9R1.15 COc1cccnc1Br TS08305 [0,0,0,0,0,0|2,1,0]=3 42 B9R1.15 COc1cccnc1Cl TS55198 [0,0,0,0,0,0|2,1,0]=3 43 B9R1.15 COc1cccnc1I TS25665 [0,0,0,0,0,0|2,1,0]=3 44 B9R1.15 COc1cccnc1N TS47373 [0,0,0,0,0,0|2,1,0]=3 45 B9R1.15 COc1cccnc1O TS55383 [0,0,0,0,0,0|2,1,0]=3 46 B9R1.15 CSc1ccccc1Br TS19526 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.15 CSc1ccccc1Cl TS42002 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.15 CSc1ccccc1F TS06689 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.15 CSc1ccccc1I TS27990 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.15 CSc1ccccc1O TS37395 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.15 CSc1ccccc1[Zn+] TS76795 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.15 Cc1c(cccn1)C#N TS60304 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.15 Cc1c(cccn1)C=O TS02436 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.15 Cc1c(cccn1)CBr TS87803 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.15 Cc1c(cccn1)CCl TS90028 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.15 Cc1c(cccn1)CN TS32520 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.15 Cc1c(cccn1)CO TS04969 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.15 Cc1c(cccn1)OC TS04964 [0,0,0,0,0,0|1,1,0]=2 59 B9R1.15 Cc1c(nccn1)C=O TS86293 [0,0,0,0,0,0|2,0,0]=2 60 B9R1.15 Cc1c(nccn1)CCl TS88673 [0,0,0,0,0,0|2,0,0]=2 61 B9R1.15 Cc1c(nccn1)CN TS92714 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.15 Cc1c(nccn1)CO TS88558 [0,0,0,0,0,0|2,0,0]=2 63 B9R1.15 Cc1c(nccn1)OC TS55427 [0,0,0,0,0,0|0,1,0]=1 64 B9R1.15 Cc1c(nccn1)SC TS37401 [0,0,0,0,0,0|0,0,0]=0 65 B9R1.15 Cc1ccccc1C#C TS02442 [0,0,0,0,0,0|3,0,1]=4 66 B9R1.15 Cc1ccccc1C#N TS04680 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.15 Cc1ccccc1C=C TS02453 [0,0,0,0,0,0|3,0,1]=4 68 B9R1.15 Cc1ccccc1C=O TS04808 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.15 Cc1ccccc1CBr TS01133 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.15 Cc1ccccc1CCl TS37456 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.15 Cc1ccccc1CN TS04867 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.15 Cc1ccccc1CO TS04907 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.15 Cc1ccccc1CS TS06308 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.15 Cc1ccccc1NC TS32471 [0,0,0,0,0,0|3,0,0]=3 75 B9R1.15 Cc1ccccc1NN TS60156 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.15 Cc1ccccc1OC TS32508 [0,0,0,0,0,0|2,1,0]=3 77 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.15 Cc1cccnc1C#N TS55290 [0,0,0,0,0,0|3,0,0]=3 80 B9R1.15 Cc1cccnc1C=O TS70677 [0,0,0,0,0,0|3,0,0]=3 81 B9R1.15 Cc1cccnc1CCl TS91176 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.15 Cc1cccnc1CN TS32513 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.15 Cc1cccnc1CO TS04977 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.15 Cc1cccnc1OC TS04965 [0,0,0,0,0,0|1,1,0]=2 85 B9R1.15 Cc1ccncc1NC TS04920 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.15 Cc1ccnnc1C#N TS88360 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.15 Cc1ccnnc1CN TS92264 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.15 c1cc(c(nc1)Br)C#N TS08295 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.15 c1cc(c(nc1)Br)C=O TS08314 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.15 c1cc(c(nc1)Br)CBr TS55083 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.15 c1cc(c(nc1)C#N)Br TS16860 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.15 c1cc(c(nc1)C#N)Cl TS65964 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.15 c1cc(c(nc1)C#N)F TS00973 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.15 c1cc(c(nc1)C#N)I TS52930 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.15 c1cc(c(nc1)C#N)N TS02628 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.15 c1cc(c(nc1)C#N)O TS55289 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.15 c1cc(c(nc1)C=O)F TS70563 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.15 c1cc(c(nc1)C=O)N TS32498 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.15 c1cc(c(nc1)CBr)F TS85731 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.15 c1cc(c(nc1)CBr)O TS08820 [0,0,0,0,0,0|4,0,0]=4 103 B9R1.15 c1cc(c(nc1)CCl)F TS86737 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.15 c1cc(c(nc1)CN)F TS86282 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.15 c1cc(c(nc1)CO)F TS88540 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.15 c1cc(c(nc1)CO)N TS05011 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.15 c1cc(c(nc1)CO)O TS55400 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.15 c1cc(c(nc1)CO)O TS70604 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.15 c1cc(c(nc1)Cl)C#N TS55285 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.15 c1cc(c(nc1)Cl)CCl TS86687 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.15 c1cc(c(nc1)Cl)CO TS55211 [0,0,0,0,0,0|4,0,0]=4 113 B9R1.15 c1cc(c(nc1)F)C#N TS32483 [0,0,0,0,0,0|4,0,0]=4 114 B9R1.15 c1cc(c(nc1)F)C=O TS55324 [0,0,0,0,0,0|4,0,0]=4 115 B9R1.15 c1cc(c(nc1)F)CN TS08409 [0,0,0,0,0,0|4,0,0]=4 116 B9R1.15 c1cc(c(nc1)F)CO TS55320 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.15 c1cc(c(nc1)N)C#N TS47359 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.15 c1cc(c(nc1)N)CCl TS08290 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.15 c1cc(c(nc1)N)CO TS47364 [0,0,0,0,0,0|4,0,0]=4 120 B9R1.15 c1cc(c(nc1)NN)Cl TS60341 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.15 c1cc(c(nc1)O)C#N TS07723 [0,0,0,0,0,0|4,0,0]=4 122 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [0,0,0,0,0,0|4,0,0]=4 123 B9R1.15 c1cc(c(nc1)O)CN TS42244 [0,0,0,0,0,0|4,0,0]=4 124 B9R1.15 c1cnc(c(n1)C#N)Cl TS66007 [0,0,0,0,0,0|3,0,0]=3 125 B9R1.15 c1cnc(c(n1)C#N)N TS02669 [0,0,0,0,0,0|3,0,0]=3 126 B9R1.15 c1cnc(c(n1)C=O)Cl TS66006 [0,0,0,0,0,0|3,0,0]=3 127 B9R1.15 c1cnc(c(n1)C=O)N TS85705 [0,0,0,0,0,0|3,0,0]=3 128 B9R1.15 c1cnc(c(n1)CCl)Cl TS88674 [0,0,0,0,0,0|3,0,0]=3 129 B9R1.15 c1cnc(c(n1)CN)Cl TS49175 [0,0,0,0,0,0|3,0,0]=3 130 B9R1.15 c1cnc(c(n1)CN)Cl TS86197 [0,0,0,0,0,0|3,0,0]=3 131 B9R1.15 c1cnc(c(n1)CO)Cl TS64972 [0,0,0,0,0,0|3,0,0]=3 132 B9R1.15 c1cnc(c(n1)NN)Cl TS87006 [0,0,0,0,0,0|3,0,0]=3 133 B8R1.2 C#Cc1ccccn1 TS55319 [1,0,0,0,0,0|2,0,1]=4 134 B8R1.2 C#Cc1cccnc1 TS16364 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.2 C#Cc1cnccn1 TS87522 [1,0,0,0,0,0|1,0,1]=3 136 B8R1.2 C=Cc1ccccn1 TS31704 [1,0,0,0,0,0|2,0,1]=4 137 B8R1.2 C=Cc1cccnc1 TS31705 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.2 C=Cc1cnccn1 TS04089 [1,0,0,0,0,0|1,0,1]=3 139 B8R1.2 CCC1=CCC=CC1 TS04142 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.2 CCc1ccccc1 TS04102 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.2 CCc1ccccn1 TS55316 [1,0,0,0,0,0|2,0,0]=3 142 B8R1.2 CCc1cccnc1 TS04113 [1,0,0,0,0,0|2,0,0]=3 143 B8R1.2 CCc1cnccn1 TS31774 [1,0,0,0,0,0|1,0,0]=2 144 B8R1.2 CNc1ccccc1 TS31758 [1,0,0,0,0,0|3,0,0]=4 145 B8R1.2 CNc1ccccc1 TS40129 [1,0,0,0,0,0|3,0,0]=4 146 B8R1.2 CNc1ccccn1 TS22814 [1,0,0,0,0,0|2,0,0]=3 147 B8R1.2 CNc1cccnc1 TS09432 [1,0,0,0,0,0|2,0,0]=3 148 B8R1.2 CNc1cnccn1 TS31803 [1,0,0,0,0,0|1,0,0]=2 149 B8R1.2 CNc1ncccn1 TS31802 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.2 COc1ccccc1 TS39801 [1,0,0,0,0,0|2,1,0]=4 151 B8R1.2 COc1cccnn1 TS02827 [1,0,0,0,0,0|2,1,0]=4 152 B8R1.2 COc1ccncn1 TS31815 [1,0,0,0,0,0|2,1,0]=4 153 B8R1.2 COc1cnccn1 TS55429 [1,0,0,0,0,0|0,1,0]=2 154 B8R1.2 COc1ncccn1 TS31823 [1,0,0,0,0,0|2,1,0]=4 155 B8R1.2 CPc1ccccc1 TS32592 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.2 CSc1ccccc1 TS36022 [1,0,0,0,0,0|2,0,0]=3 157 B8R1.2 CSc1ccccn1 TS05101 [1,0,0,0,0,0|1,0,0]=2 158 B8R1.2 CSc1cccnc1 TS05108 [1,0,0,0,0,0|1,0,0]=2 159 B8R1.2 CSc1cnccn1 TS55418 [1,0,0,0,0,0|0,0,0]=1 160 B8R1.2 CSc1ncccn1 TS36144 [1,0,0,0,0,0|2,0,0]=3 161 B8R1.2 CSc1nccnn1 TS70681 [1,0,0,0,0,0|1,0,0]=2 162 B8R1.2 C[NH2+]c1ccccc1 TS49917 [1,0,0,0,0,0|3,0,0]=4 163 B8R1.2 C[SiH2]c1ccccc1 TS04929 [1,0,0,0,0,0|3,0,0]=4 164 B8R1.2 c1cc(cnc1)C#N TS02037 [1,0,0,0,0,0|3,0,0]=4 165 B8R1.2 c1cc(cnc1)CBr TS09437 [1,0,0,0,0,0|3,0,0]=4 166 B8R1.2 c1cc(cnc1)CCl TS00113 [1,0,0,0,0,0|3,0,0]=4 167 B8R1.2 c1cc(cnc1)CCl TS02031 [1,0,0,0,0,0|3,0,0]=4 168 B8R1.2 c1cc(cnc1)CI TS49544 [1,0,0,0,0,0|3,0,0]=4 169 B8R1.2 c1cc(cnc1)CI TS64566 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.2 c1cc(cnc1)CN TS02883 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.2 c1cc(cnc1)CO TS92960 [1,0,0,0,0,0|3,0,0]=4 172 B8R1.2 c1cc(cnc1)CO TS93835 [1,0,0,0,0,0|3,0,0]=4 173 B8R1.2 c1cc(cnc1)NN TS87727 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.2 c1ccnc(c1)C#N TS59347 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.2 c1ccnc(c1)C=O TS02469 [1,0,0,0,0,0|3,0,0]=4 176 B8R1.2 c1ccnc(c1)CBr TS47083 [1,0,0,0,0,0|3,0,0]=4 177 B8R1.2 c1ccnc(c1)CCl TS47089 [1,0,0,0,0,0|3,0,0]=4 178 B8R1.2 c1ccnc(c1)CCl TS47090 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.2 c1ccnc(c1)CN TS00811 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.2 c1ccnc(c1)CO TS07144 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.2 c1ccnc(c1)CO TS31798 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.2 c1ccnc(c1)CS TS05100 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.2 c1ccnc(c1)NN TS14875 [1,0,0,0,0,0|3,0,0]=4 184 B8R1.2 c1ccnc(c1)NN TS55380 [1,0,0,0,0,0|3,0,0]=4 185 B8R1.2 c1cnc(cn1)C#N TS55308 [1,0,0,0,0,0|2,0,0]=3 186 B8R1.2 c1cnc(cn1)C=O TS31759 [1,0,0,0,0,0|2,0,0]=3 187 B8R1.2 c1cnc(cn1)CCl TS88127 [1,0,0,0,0,0|2,0,0]=3 188 B8R1.2 c1cnc(cn1)CN TS01661 [1,0,0,0,0,0|2,0,0]=3 189 B8R1.2 c1cnc(cn1)CO TS88438 [1,0,0,0,0,0|2,0,0]=3 190 B8R1.2 c1cnc(cn1)CS TS36139 [1,0,0,0,0,0|2,0,0]=3 191 B8R1.2 c1cnc(cn1)NN TS55379 [1,0,0,0,0,0|2,0,0]=3 192 B8R1.5 Cc1c(cccn1)Br TS65908 [1,0,0,0,0,0|2,0,0]=3 193 B8R1.5 Cc1c(cccn1)Cl TS65978 [1,0,0,0,0,0|2,0,0]=3 194 B8R1.5 Cc1c(cccn1)F TS70573 [1,0,0,0,0,0|2,0,0]=3 195 B8R1.5 Cc1c(cccn1)I TS02809 [1,0,0,0,0,0|2,0,0]=3 196 B8R1.5 Cc1c(cccn1)N TS31778 [1,0,0,0,0,0|2,0,0]=3 197 B8R1.5 Cc1c(cccn1)O TS87617 [1,0,0,0,0,0|1,1,0]=3 198 B8R1.5 Cc1c(cncn1)Br TS17002 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.5 Cc1c(cncn1)N TS03237 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.5 Cc1c(nccn1)Br TS08309 [1,0,0,0,0,0|1,0,0]=2 201 B8R1.5 Cc1c(nccn1)C TS47169 [1,0,0,0,0,0|0,0,0]=1 202 B8R1.5 Cc1c(nccn1)Cl TS55202 [1,0,0,0,0,0|1,0,0]=2 203 B8R1.5 Cc1c(nccn1)I TS89593 [1,0,0,0,0,0|1,0,0]=2 204 B8R1.5 Cc1c(nccn1)N TS00719 [1,0,0,0,0,0|1,0,0]=2 205 B8R1.5 Cc1c(nccn1)O TS55386 [1,0,0,0,0,0|0,1,0]=2 206 B8R1.5 Cc1ccc[nH]c1=O TS55401 [1,0,0,0,0,0|1,1,1]=4 207 B8R1.5 Cc1cccc[n+]1C TS25681 [1,0,0,0,0,0|3,0,0]=4 208 B8R1.5 Cc1ccccc1Br TS00024 [1,0,0,0,0,0|3,0,0]=4 209 B8R1.5 Cc1ccccc1C TS04099 [1,0,0,0,0,0|2,0,0]=3 210 B8R1.5 Cc1ccccc1Cl TS36192 [1,0,0,0,0,0|3,0,0]=4 211 B8R1.5 Cc1ccccc1F TS31828 [1,0,0,0,0,0|3,0,0]=4 212 B8R1.5 Cc1ccccc1I TS49343 [1,0,0,0,0,0|3,0,0]=4 213 B8R1.5 Cc1ccccc1N TS40130 [1,0,0,0,0,0|3,0,0]=4 214 B8R1.5 Cc1ccccc1N TS46845 [1,0,0,0,0,0|3,0,0]=4 215 B8R1.5 Cc1ccccc1O TS31768 [1,0,0,0,0,0|2,1,0]=4 216 B8R1.5 Cc1ccccc1S TS05037 [1,0,0,0,0,0|2,0,0]=3 217 B8R1.5 Cc1cccnc1Br TS08310 [1,0,0,0,0,0|2,0,0]=3 218 B8R1.5 Cc1cccnc1C TS07903 [1,0,0,0,0,0|1,0,0]=2 219 B8R1.5 Cc1cccnc1Cl TS55203 [1,0,0,0,0,0|2,0,0]=3 220 B8R1.5 Cc1cccnc1F TS08402 [1,0,0,0,0,0|2,0,0]=3 221 B8R1.5 Cc1cccnc1I TS01069 [1,0,0,0,0,0|2,0,0]=3 222 B8R1.5 Cc1cccnc1N TS00720 [1,0,0,0,0,0|2,0,0]=3 223 B8R1.5 Cc1cccnc1N TS01794 [1,0,0,0,0,0|2,0,0]=3 224 B8R1.5 Cc1cccnc1O TS31800 [1,0,0,0,0,0|1,1,0]=3 225 B8R1.5 Cc1cccnc1[Zn+] TS26092 [1,0,0,0,0,0|2,0,0]=3 226 B8R1.5 Cc1ccncc1C TS00124 [1,0,0,0,0,0|3,0,0]=4 227 B8R1.5 Cc1ccnnc1Cl TS02026 [1,0,0,0,0,0|3,0,0]=4 228 B8R1.5 Cc1cncnc1Cl TS71045 [1,0,0,0,0,0|3,0,0]=4 229 B8R1.5 Cc1cncnc1O TS59515 [1,0,0,0,0,0|2,1,0]=4 230 B8R1.5 c1cc(c(nc1)Br)Br TS47142 [1,0,0,0,0,0|3,0,0]=4 231 B8R1.5 c1cc(c(nc1)Br)Cl TS08294 [1,0,0,0,0,0|3,0,0]=4 232 B8R1.5 c1cc(c(nc1)Br)F TS08302 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.5 c1cc(c(nc1)Br)N TS02623 [1,0,0,0,0,0|3,0,0]=4 234 B8R1.5 c1cc(c(nc1)Br)N TS20796 [1,0,0,0,0,0|3,0,0]=4 235 B8R1.5 c1cc(c(nc1)Br)O TS08304 [1,0,0,0,0,0|2,1,0]=4 236 B8R1.5 c1cc(c(nc1)Cl)Br TS16857 [1,0,0,0,0,0|3,0,0]=4 237 B8R1.5 c1cc(c(nc1)Cl)Cl TS47154 [1,0,0,0,0,0|3,0,0]=4 238 B8R1.5 c1cc(c(nc1)Cl)F TS55193 [1,0,0,0,0,0|3,0,0]=4 239 B8R1.5 c1cc(c(nc1)Cl)I TS55194 [1,0,0,0,0,0|3,0,0]=4 240 B8R1.5 c1cc(c(nc1)Cl)N TS88773 [1,0,0,0,0,0|3,0,0]=4 241 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [1,0,0,0,0,0|2,1,0]=4 242 B8R1.5 c1cc(c(nc1)F)Br TS16866 [1,0,0,0,0,0|3,0,0]=4 243 B8R1.5 c1cc(c(nc1)F)Cl TS65972 [1,0,0,0,0,0|3,0,0]=4 244 B8R1.5 c1cc(c(nc1)F)F TS00561 [1,0,0,0,0,0|3,0,0]=4 245 B8R1.5 c1cc(c(nc1)F)I TS55327 [1,0,0,0,0,0|3,0,0]=4 246 B8R1.5 c1cc(c(nc1)F)N TS02630 [1,0,0,0,0,0|3,0,0]=4 247 B8R1.5 c1cc(c(nc1)F)N TS40702 [1,0,0,0,0,0|3,0,0]=4 248 B8R1.5 c1cc(c(nc1)F)O TS55326 [1,0,0,0,0,0|2,1,0]=4 249 B8R1.5 c1cc(c(nc1)I)Cl TS57282 [1,0,0,0,0,0|3,0,0]=4 250 B8R1.5 c1cc(c(nc1)I)F TS70569 [1,0,0,0,0,0|3,0,0]=4 251 B8R1.5 c1cc(c(nc1)I)I TS63699 [1,0,0,0,0,0|3,0,0]=4 252 B8R1.5 c1cc(c(nc1)I)N TS02634 [1,0,0,0,0,0|3,0,0]=4 253 B8R1.5 c1cc(c(nc1)I)O TS01068 [1,0,0,0,0,0|2,1,0]=4 254 B8R1.5 c1cc(c(nc1)N)Br TS08286 [1,0,0,0,0,0|3,0,0]=4 255 B8R1.5 c1cc(c(nc1)N)Cl TS47358 [1,0,0,0,0,0|3,0,0]=4 256 B8R1.5 c1cc(c(nc1)N)F TS47362 [1,0,0,0,0,0|3,0,0]=4 257 B8R1.5 c1cc(c(nc1)N)I TS47370 [1,0,0,0,0,0|3,0,0]=4 258 B8R1.5 c1cc(c(nc1)N)N TS00550 [1,0,0,0,0,0|3,0,0]=4 259 B8R1.5 c1cc(c(nc1)N)O TS07282 [1,0,0,0,0,0|2,1,0]=4 260 B8R1.5 c1cc(c(nc1)N)O TS47366 [1,0,0,0,0,0|2,1,0]=4 261 B8R1.5 c1cc(c(nc1)N)S TS36141 [1,0,0,0,0,0|2,0,0]=3 262 B8R1.5 c1cc(c(nc1)O)Br TS09496 [1,0,0,0,0,0|2,1,0]=4 263 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [1,0,0,0,0,0|2,1,0]=4 264 B8R1.5 c1cc(c(nc1)O)F TS70564 [1,0,0,0,0,0|2,1,0]=4 265 B8R1.5 c1cc(c(nc1)O)N TS31820 [1,0,0,0,0,0|2,1,0]=4 266 B8R1.5 c1cc(c(nc1)O)O TS04242 [1,0,0,0,0,0|2,1,0]=4 267 B8R1.5 c1cc(c(nc1)S)O TS05265 [1,0,0,0,0,0|2,0,0]=3 268 B8R1.5 c1ccc(c(c1)F)S TS46406 [1,0,0,0,0,0|3,0,0]=4 269 B8R1.5 c1ccc(c(c1)N)S TS47467 [1,0,0,0,0,0|3,0,0]=4 270 B8R1.5 c1ccc(c(c1)O)S TS36136 [1,0,0,0,0,0|3,0,0]=4 271 B8R1.5 c1ccc(c(c1)S)Br TS50856 [1,0,0,0,0,0|3,0,0]=4 272 B8R1.5 c1ccc(c(c1)S)Cl TS07050 [1,0,0,0,0,0|3,0,0]=4 273 B8R1.5 c1ccc(c(c1)S)S TS06772 [1,0,0,0,0,0|3,0,0]=4 274 B8R1.5 c1cnc(c(n1)Cl)Cl TS47153 [1,0,0,0,0,0|2,0,0]=3 275 B8R1.5 c1cnc(c(n1)N)Br TS08285 [1,0,0,0,0,0|2,0,0]=3 276 B8R1.5 c1cnc(c(n1)N)Cl TS05505 [1,0,0,0,0,0|2,0,0]=3 277 B8R1.5 c1cnc(c(n1)N)N TS00549 [1,0,0,0,0,0|2,0,0]=3 278 B8R1.5 c1cnc(c(n1)O)O TS04272 [1,0,0,0,0,0|1,1,0]=3 279 B10R1.2 CCc1cccc(c1C)C TS36862 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.2 COc1c(c(ccn1)N)Br TS91261 [0,1,0,0,0,0|2,1,0]=4 281 B10R1.2 Cc1c(cccc1Cl)OC TS09315 [0,1,0,0,0,0|2,1,0]=4 282 B10R1.2 Cc1c(cccc1Cl)SC TS13276 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.2 Cc1c(cccc1OC)N TS70644 [0,1,0,0,0,0|2,1,0]=4 284 B10R1.2 Cc1cccc(c1C)OC TS02345 [0,1,0,0,0,0|2,1,0]=4 285 B10R1.2 Cc1ccnc(c1Br)OC TS89231 [0,1,0,0,0,0|2,1,0]=4 286 B10R1.2 Cc1ccnc(c1N)OC TS06277 [0,1,0,0,0,0|2,1,0]=4 287 B10R1.4 CCCc1ccccc1C TS05927 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.4 CCNc1ccccc1C TS06011 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.4 CCOc1c(cccn1)Br TS19321 [0,1,0,0,0,0|2,1,0]=4 290 B10R1.4 CCOc1c(cccn1)I TS27857 [0,1,0,0,0,0|2,1,0]=4 291 B10R1.4 CCOc1c(nccn1)C TS37192 [0,1,0,0,0,0|0,1,0]=2 292 B10R1.4 CCOc1cccnc1Br TS19312 [0,1,0,0,0,0|2,1,0]=4 293 B10R1.4 CCOc1cccnc1N TS37190 [0,1,0,0,0,0|2,1,0]=4 294 B10R1.4 CCSc1ccccc1Br TS49221 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.4 CCSc1ccccc1O TS41412 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.4 CNCc1c(cccn1)F TS86149 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.4 Cc1c(cccn1)CCO TS37129 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.4 Cc1ccccc1CCBr TS54167 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.4 Cc1ccccc1CCO TS37017 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.4 Cc1ccccc1CNC TS36965 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.4 c1cc(c(nc1)CCN)Br TS86650 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.4 c1cnc(c(n1)CC#N)Cl TS85791 [0,1,0,0,0,0|2,0,1]=4 303 B10R1.20 CCc1c(nccn1)CC TS37039 [0,1,0,0,0,0|1,0,0]=2 304 B10R1.20 CCc1c(nccn1)OC TS06275 [0,1,0,0,0,0|0,1,0]=2 305 B10R1.20 CCc1c(nccn1)SC TS41416 [0,1,0,0,0,0|0,0,0]=1 306 B10R1.20 CCc1ccccc1CC TS36854 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.20 CCc1ccccc1OC TS06091 [0,1,0,0,0,0|2,1,0]=4 308 B10R1.20 CNc1c(cccn1)C=O TS06056 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.20 CNc1c(cccn1)CO TS00522 [0,1,0,0,0,0|2,0,0]=3 310 B10R1.20 CNc1ccccc1OC TS06193 [0,1,0,0,0,0|2,1,0]=4 311 B10R1.20 COc1c(cccn1)C#N TS36816 [0,1,0,0,0,0|1,1,1]=4 312 B10R1.20 COc1c(cccn1)C=O TS55430 [0,1,0,0,0,0|1,1,1]=4 313 B10R1.20 COc1c(cccn1)CN TS85674 [0,1,0,0,0,0|1,1,0]=3 314 B10R1.20 COc1c(cccn1)CN TS86802 [0,1,0,0,0,0|1,1,0]=3 315 B10R1.20 COc1c(cccn1)CO TS88118 [0,1,0,0,0,0|1,1,0]=3 316 B10R1.20 COc1c(nncn1)CN TS92875 [0,1,0,0,0,0|1,1,0]=3 317 B10R1.20 COc1ccccc1CBr TS46746 [0,1,0,0,0,0|2,1,0]=4 318 B10R1.20 COc1ccccc1CCl TS01104 [0,1,0,0,0,0|2,1,0]=4 319 B10R1.20 COc1ccccc1CN TS01103 [0,1,0,0,0,0|2,1,0]=4 320 B10R1.20 COc1ccccc1CO TS06248 [0,1,0,0,0,0|2,1,0]=4 321 B10R1.20 COc1ccccc1OC TS07876 [0,1,0,0,0,0|2,1,0]=4 322 B10R1.20 COc1ccccc1SC TS55437 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.20 COc1cccnc1C#N TS05878 [0,1,0,0,0,0|1,1,1]=4 324 B10R1.20 COc1cccnc1C=O TS06166 [0,1,0,0,0,0|1,1,1]=4 325 B10R1.20 COc1cccnc1CN TS06271 [0,1,0,0,0,0|1,1,0]=3 326 B10R1.20 COc1cccnc1CO TS08026 [0,1,0,0,0,0|1,1,0]=3 327 B10R1.20 COc1cccnc1OC TS16354 [0,1,0,0,0,0|1,1,0]=3 328 B10R1.20 CSc1c(cccn1)C#N TS09907 [0,1,0,0,0,0|1,0,1]=3 329 B10R1.20 CSc1c(cccn1)CCl TS50635 [0,1,0,0,0,0|1,0,0]=2 330 B10R1.20 CSc1ccccc1C#N TS40767 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.20 CSc1ccccc1CN TS10344 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.20 CSc1ccccc1CO TS41405 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.20 c1cc(c(nc1)C#N)CBr TS18391 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.20 c1cc(c(nc1)C#N)CO TS36822 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.20 c1cc(c(nc1)CN)C=O TS06068 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.20 c1cc(c(nc1)CO)CO TS06365 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.20 c1cnc(c(n1)C#N)C#N TS36461 [0,1,0,0,0,0|2,0,1]=4 338 B10R1.25 CCc1c(cc(cn1)Br)N TS85926 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.25 CCc1c(nc(cn1)C)C TS37031 [0,1,0,0,0,0|1,0,0]=2 340 B10R1.25 CCc1ccc(cc1C)C TS36871 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.25 CCc1ccc(nc1N)C TS06103 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.25 COc1c(cc(cn1)Br)Br TS85440 [0,1,0,0,0,0|2,1,0]=4 343 B10R1.25 COc1c(cc(cn1)Br)Cl TS23559 [0,1,0,0,0,0|2,1,0]=4 344 B10R1.25 COc1c(cc(cn1)Br)F TS60302 [0,1,0,0,0,0|2,1,0]=4 345 B10R1.25 COc1c(cc(cn1)Br)I TS61113 [0,1,0,0,0,0|2,1,0]=4 346 B10R1.25 COc1c(cc(cn1)Br)N TS86976 [0,1,0,0,0,0|2,1,0]=4 347 B10R1.25 COc1c(cc(cn1)Br)O TS86842 [0,1,0,0,0,0|2,1,0]=4 348 B10R1.25 COc1c(cc(cn1)Cl)Br TS55426 [0,1,0,0,0,0|2,1,0]=4 349 B10R1.25 COc1c(cc(cn1)Cl)F TS11466 [0,1,0,0,0,0|2,1,0]=4 350 B10R1.25 COc1c(cc(cn1)F)Br TS65083 [0,1,0,0,0,0|2,1,0]=4 351 B10R1.25 COc1c(cc(cn1)N)Br TS16776 [0,1,0,0,0,0|2,1,0]=4 352 B10R1.25 COc1c(cc(cn1)N)F TS02650 [0,1,0,0,0,0|2,1,0]=4 353 B10R1.25 COc1ccc(nc1Br)N TS60092 [0,1,0,0,0,0|2,1,0]=4 354 B10R1.25 COc1ccc(nc1Cl)N TS85122 [0,1,0,0,0,0|2,1,0]=4 355 B10R1.25 COc1ccc(nc1F)Br TS32806 [0,1,0,0,0,0|2,1,0]=4 356 B10R1.25 CSc1c(=O)[nH]c(=O)[nH]n1 TS11117 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.25 Cc1c(ccc(n1)Br)C#N TS85501 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.25 Cc1c(ccc(n1)Cl)C#N TS60094 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.25 Cc1c(ccc(n1)Cl)C=O TS10618 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.25 Cc1c(ccc(n1)F)C#N TS36975 [0,1,0,0,0,0|3,0,0]=4 362 B10R1.25 Cc1c(ccc(n1)F)C=O TS85125 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.25 Cc1c(ccc(n1)F)CO TS06581 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.25 Cc1c(ccc(n1)N)C#N TS05826 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.25 Cc1c(ccc(n1)N)CN TS06202 [0,1,0,0,0,0|3,0,0]=4 366 B10R1.25 Cc1c(ccc(n1)N)OC TS37202 [0,1,0,0,0,0|1,1,0]=3 367 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [0,1,0,0,0,0|2,1,0]=4 368 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [0,1,0,0,0,0|2,1,0]=4 369 B10R1.25 Cc1cc(ccc1OC)F TS06457 [0,1,0,0,0,0|2,1,0]=4 370 B10R1.25 Cc1cc(ccc1OC)I TS62512 [0,1,0,0,0,0|2,1,0]=4 371 B10R1.25 Cc1cc(ccc1OC)N TS71211 [0,1,0,0,0,0|2,1,0]=4 372 B10R1.25 Cc1cc(ccc1SC)O TS41411 [0,1,0,0,0,0|2,0,0]=3 373 B10R1.25 Cc1cc(cnc1C#N)N TS36755 [0,1,0,0,0,0|3,0,0]=4 374 B10R1.25 Cc1cc(cnc1C#N)O TS08755 [0,1,0,0,0,0|3,0,0]=4 375 B10R1.25 Cc1cc(cnc1C=O)Br TS16993 [0,1,0,0,0,0|3,0,0]=4 376 B10R1.25 Cc1cc(cnc1OC)Br TS85280 [0,1,0,0,0,0|1,1,0]=3 377 B10R1.25 Cc1cc(cnc1OC)F TS39347 [0,1,0,0,0,0|1,1,0]=3 378 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [0,1,0,0,0,0|2,1,0]=4 379 B10R1.25 Cc1ccc(c(n1)Br)OC TS19318 [0,1,0,0,0,0|2,1,0]=4 380 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [0,1,0,0,0,0|3,0,0]=4 381 B10R1.25 Cc1ccc(c(n1)C)CO TS06194 [0,1,0,0,0,0|3,0,0]=4 382 B10R1.25 Cc1cnc(c(n1)C)SC TS41413 [0,1,0,0,0,0|0,0,0]=1 383 B10R1.25 c1c(nc(c(n1)C#N)Cl)Cl TS90779 [0,1,0,0,0,0|3,0,0]=4 384 B10R1.25 c1c(nc(c(n1)C=O)Cl)Cl TS85689 [0,1,0,0,0,0|3,0,0]=4 385 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.30 CCc1cc(ccc1C)C TS05930 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.30 CNc1cc(cnc1Cl)Br TS08912 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.30 COc1c(ncc(n1)Br)N TS16991 [0,1,0,0,0,0|1,1,0]=3 389 B10R1.30 COc1cc(cnc1Br)Cl TS23560 [0,1,0,0,0,0|2,1,0]=4 390 B10R1.30 COc1cc(cnc1N)Br TS38378 [0,1,0,0,0,0|2,1,0]=4 391 B10R1.30 CSc1c(cnc(n1)Cl)Br TS26408 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.30 Cc1c(cc(cn1)Br)OC TS19314 [0,1,0,0,0,0|1,1,0]=3 393 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [0,1,0,0,0,0|2,1,0]=4 394 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [0,1,0,0,0,0|2,1,0]=4 395 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [0,1,0,0,0,0|2,1,0]=4 396 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [0,1,0,0,0,0|2,1,0]=4 397 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [0,1,0,0,0,0|2,1,0]=4 398 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [0,1,0,0,0,0|2,1,0]=4 399 B10R1.30 Cc1ccc(cc1OC)F TS06455 [0,1,0,0,0,0|2,1,0]=4 400 B10R1.30 Cc1ccc(cc1OC)N TS59695 [0,1,0,0,0,0|2,1,0]=4 401 B10R1.30 Cc1ccc(nc1C#N)Cl TS10254 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.30 c1c(nc(c(n1)Br)C#N)Br TS89819 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.30 c1c(nc(c(n1)N)C#N)Br TS02657 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.61 B(c1c(cccn1)C)(O)O TS70676 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [0,1,0,0,0,0|3,0,0]=4 408 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [0,1,0,0,0,0|3,0,0]=4 409 B10R1.61 CC(=O)c1c(nccn1)Cl TS90872 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.61 CC(=O)c1c(nccn1)N TS87446 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.61 CC(=O)c1cccnc1Br TS18940 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.61 CC(=O)c1cccnc1F TS02616 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.61 CC(=O)c1cccnc1N TS08276 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.61 CC(c1c(cccn1)F)O TS06577 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.61 CC(c1cccnc1Br)N TS19152 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.61 CC(c1cccnc1N)O TS37203 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.61 Cc1c(cccn1)C(=O)O TS59977 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.61 Cc1c(cccn1)C(=O)O TS89838 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS01118 [0,1,0,0,0,0|3,0,0]=4 421 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS86948 [0,1,0,0,0,0|3,0,0]=4 422 B10R1.61 Cc1c(nccn1)C(=O)C TS06062 [0,1,0,0,0,0|1,0,0]=2 423 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.61 Cc1ccccc1C(=C)C TS05768 [0,1,0,0,0,0|3,0,0]=4 425 B10R1.61 Cc1ccccc1C(=O)C TS36852 [0,1,0,0,0,0|3,0,0]=4 426 B10R1.61 Cc1ccccc1C(C)N TS36951 [0,1,0,0,0,0|3,0,0]=4 427 B10R1.61 Cc1ccccc1C(C)O TS37021 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.61 Cc1ccccc1N(C)C TS06004 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [0,1,0,0,0,0|3,0,0]=4 430 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [0,1,0,0,0,0|3,0,0]=4 431 B10R1.61 Cc1cccnc1C(=O)O TS37085 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.61 Cc1cccnc1C(=O)O TS60354 [0,1,0,0,0,0|3,0,0]=4 433 B10R1.61 Cc1cccnc1[N+](=O)[O-] TS70660 [0,1,0,0,0,0|3,0,0]=4 434 B10R1.61 c1cnc(c(n1)C(=O)N)O TS60014 [0,1,0,0,0,0|3,0,0]=4 435 B10R1.61 c1cnc(c(n1)C(=O)O)Cl TS66008 [0,1,0,0,0,0|3,0,0]=4 436 B10R1.61 c1cnc(c(n1)C(=O)O)N TS37261 [0,1,0,0,0,0|3,0,0]=4 437 B10R1.61 c1cnc(c(n1)C(=O)O)O TS16634 [0,1,0,0,0,0|3,0,0]=4 438 B10R1.61 c1cnc(c(n1)[N+](=O)[O-])Cl TS02022 [0,1,0,0,0,0|3,0,0]=4 439 B10R1.245 CCc1c(cccc1C)C TS36867 [0,1,0,0,0,0|3,0,0]=4 440 B10R1.245 Cc1c(c(=O)cc[nH]1)OC TS06357 [0,1,0,0,0,0|1,1,1]=4 441 B10R1.245 Cc1c(c(ccn1)Cl)OC TS87868 [0,1,0,0,0,0|1,1,0]=3 442 B10R1.245 Cc1cccc(c1OC)C TS09255 [0,1,0,0,0,0|2,1,0]=4 443 B10R1.245 Cc1cccc(c1SC)C TS41197 [0,1,0,0,0,0|2,0,0]=3 444 B10R2.7 C1CC2=C(C1)CC=CC2 TS04827 [0,0,0,1,0,0|3,0,0]=4 445 B10R2.7 c1c[nH]c2c1nccn2 TS70840 [0,0,0,1,0,0|1,0,2]=4 446 B10R2.7 c1cc2c(ccs2)nc1 TS89324 [0,0,0,1,0,0|1,0,2]=4 447 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [0,0,0,1,0,0|2,0,0]=3 448 B10R2.7 c1cc2c(nc1)CNC2 TS01200 [0,0,0,1,0,0|3,0,0]=4 449 B10R2.7 c1cc2c(nc1)CNC2 TS90710 [0,0,0,1,0,0|3,0,0]=4 450 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [0,0,0,1,0,0|2,0,0]=3 451 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [0,0,0,1,0,0|3,0,0]=4 452 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [0,0,0,1,0,0|3,0,0]=4 453 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [0,0,0,1,0,0|2,1,0]=4 454 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [0,0,0,1,0,0|3,0,0]=4 455 B10R2.7 c1cnc2c(n1)CNC2 TS29457 [0,0,0,1,0,0|2,0,0]=3 456 B8R1.11 CCc1c[nH]nc1N TS65857 [0,0,0,0,1,0|3,0,0]=4 457 B8R1.11 CCc1nnnn1C TS04301 [0,0,0,0,1,0|3,0,0]=4 458 B8R1.11 CCn1c(ccn1)N TS86902 [0,0,0,0,1,0|3,0,0]=4 459 B8R1.11 COc1c(non1)N TS04516 [0,0,0,0,1,0|2,1,0]=4 460 B8R1.11 Cc1c([nH]cn1)CCl TS12338 [0,0,0,0,1,0|2,0,1]=4 461 B8R1.11 Cc1c([nH]cn1)CO TS04296 [0,0,0,0,1,0|2,0,1]=4 462 B8R1.11 Cc1c(c[nH]n1)C=O TS70654 [0,0,0,0,1,0|3,0,0]=4 463 B8R1.11 Cc1c(c[nH]n1)C=O TS91068 [0,0,0,0,1,0|3,0,0]=4 464 B8R1.11 Cc1c(cco1)SC TS36315 [0,0,0,0,1,0|1,0,0]=2 465 B8R1.11 Cc1c(nc[nH]1)C=O TS31818 [0,0,0,0,1,0|2,0,1]=4 466 B8R1.11 Cc1c(nc[nH]1)CO TS04291 [0,0,0,0,1,0|2,0,1]=4 467 B8R1.11 Cc1c(ocn1)C#N TS31760 [0,0,0,0,1,0|3,0,0]=4 468 B8R1.11 Cc1c(ocn1)CO TS03174 [0,0,0,0,1,0|3,0,0]=4 469 B8R1.11 Cc1c(scn1)C=C TS05104 [0,0,0,0,1,0|2,0,1]=4 470 B8R1.11 Cc1c(scn1)C=O TS08697 [0,0,0,0,1,0|3,0,0]=4 471 B8R1.11 Cc1cc[nH]c1C=O TS31796 [0,0,0,0,1,0|2,0,1]=4 472 B8R1.11 Cc1ccsc1C#N TS70684 [0,0,0,0,1,0|3,0,0]=4 473 B8R1.11 Cc1ccsc1C=O TS70683 [0,0,0,0,1,0|3,0,0]=4 474 B8R1.11 Cc1ccsc1[Mg]Br TS19268 [0,0,0,0,1,0|3,0,0]=4 475 B8R1.11 Cn1c(ccn1)C#N TS89271 [0,0,0,0,1,0|3,0,0]=4 476 B8R1.11 Cn1c(ccn1)C=O TS16650 [0,0,0,0,1,0|3,0,0]=4 477 B8R1.11 Cn1c(ccn1)CN TS89183 [0,0,0,0,1,0|3,0,0]=4 478 B8R1.11 Cn1c(ccn1)CO TS86654 [0,0,0,0,1,0|3,0,0]=4 479 B8R1.11 Cn1c(ncn1)CCl TS94359 [0,0,0,0,1,0|3,0,0]=4 480 B8R1.11 Cn1c(ncn1)CN TS04299 [0,0,0,0,1,0|3,0,0]=4 481 B8R1.11 Cn1c(ncn1)CO TS07996 [0,0,0,0,1,0|3,0,0]=4 482 B8R1.11 Cn1ccnc1C#N TS31752 [0,0,0,0,1,0|3,0,0]=4 483 B8R1.11 Cn1ccnc1C=O TS00052 [0,0,0,0,1,0|3,0,0]=4 484 B8R1.11 Cn1ccnc1CCl TS12339 [0,0,0,0,1,0|3,0,0]=4 485 B8R1.11 Cn1ccnc1CCl TS36570 [0,0,0,0,1,0|3,0,0]=4 486 B8R1.11 Cn1ccnc1CN TS32741 [0,0,0,0,1,0|3,0,0]=4 487 B8R1.11 Cn1ccnc1CO TS00467 [0,0,0,0,1,0|3,0,0]=4 488 B7R0.10 CC(=NO)C(=NO)C TS32198 [1,0,1,0,0,0|2,0,0]=4 489 B7R0.10 CC(=NO)C(=NO)C TS59263 [1,0,1,0,0,0|2,0,0]=4 490 B7R1.3 Cc1ccccc1 TS71861 [2,0,0,0,0,0|2,0,0]=4 491 B7R1.3 Cc1ccccn1 TS71881 [2,0,0,0,0,0|1,0,0]=3 492 B7R1.3 Cc1ccccn1 TS93768 [2,0,0,0,0,0|1,0,0]=3 493 B7R1.3 Cc1cccnc1 TS39719 [2,0,0,0,0,0|1,0,0]=3 494 B7R1.3 Cc1cccnn1 TS70675 [2,0,0,0,0,0|2,0,0]=4 495 B7R1.3 Cc1ccncn1 TS71236 [2,0,0,0,0,0|2,0,0]=4 496 B7R1.3 Cc1ccnnc1 TS03181 [2,0,0,0,0,0|2,0,0]=4 497 B7R1.3 Cc1cnccn1 TS02445 [2,0,0,0,0,0|0,0,0]=2 498 B7R1.3 Cc1cncnc1 TS01164 [2,0,0,0,0,0|2,0,0]=4 499 B7R1.3 Cc1ncccn1 TS59978 [2,0,0,0,0,0|2,0,0]=4 500 B7R1.3 c1cc(cnc1)Br TS09497 [2,0,0,0,0,0|2,0,0]=4 501 B7R1.3 c1cc(cnc1)Cl TS66010 [2,0,0,0,0,0|2,0,0]=4 502 B7R1.3 c1cc(cnc1)F TS02768 [2,0,0,0,0,0|2,0,0]=4 503 B7R1.3 c1cc(cnc1)I TS70634 [2,0,0,0,0,0|2,0,0]=4 504 B7R1.3 c1cc(cnc1)N TS02672 [2,0,0,0,0,0|2,0,0]=4 505 B7R1.3 c1cc(cnc1)O TS32269 [2,0,0,0,0,0|1,1,0]=4 506 B7R1.3 c1ccc(cc1)S TS04213 [2,0,0,0,0,0|2,0,0]=4 507 B7R1.3 c1ccnc(c1)Cl TS02148 [2,0,0,0,0,0|2,0,0]=4 508 B7R1.3 c1ccnc(c1)F TS60290 [2,0,0,0,0,0|2,0,0]=4 509 B7R1.3 c1ccnc(c1)I TS01085 [2,0,0,0,0,0|2,0,0]=4 510 B7R1.3 c1ccnc(c1)N TS03671 [2,0,0,0,0,0|2,0,0]=4 511 B7R1.3 c1ccnc(c1)O TS03693 [2,0,0,0,0,0|1,1,0]=4 512 B7R1.3 c1ccnc(c1)S TS31885 [2,0,0,0,0,0|1,0,0]=3 513 B7R1.3 c1ccnc(c1)[Zn+] TS50356 [2,0,0,0,0,0|2,0,0]=4 514 B7R1.3 c1cnc(cn1)Br TS00861 [2,0,0,0,0,0|1,0,0]=3 515 B7R1.3 c1cnc(cn1)Cl TS00954 [2,0,0,0,0,0|1,0,0]=3 516 B7R1.3 c1cnc(cn1)F TS01036 [2,0,0,0,0,0|1,0,0]=3 517 B7R1.3 c1cnc(cn1)N TS00818 [2,0,0,0,0,0|1,0,0]=3 518 B7R1.3 c1cnc(cn1)O TS55403 [2,0,0,0,0,0|0,1,0]=3 519 B7R1.3 c1cnc(cn1)S TS04306 [2,0,0,0,0,0|0,0,0]=2 520 B7R1.3 c1cnc(nc1)S TS55424 [2,0,0,0,0,0|2,0,0]=4 521 B7R1.3 c1cnnc(n1)N TS03716 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.1 CCc1ccc(nc1)C TS32477 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.1 CCc1ccc(nc1)O TS04959 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.1 CNc1ccc(nc1)Br TS49023 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.1 COc1ccc(cn1)Br TS09790 [1,1,0,0,0,0|1,1,0]=4 526 B9R1.1 COc1ccc(cn1)Cl TS71503 [1,1,0,0,0,0|1,1,0]=4 527 B9R1.1 COc1ccc(cn1)F TS71544 [1,1,0,0,0,0|1,1,0]=4 528 B9R1.1 COc1ccc(cn1)I TS01075 [1,1,0,0,0,0|1,1,0]=4 529 B9R1.1 COc1ccc(cn1)N TS05017 [1,1,0,0,0,0|1,1,0]=4 530 B9R1.1 COc1ccc(cn1)O TS71568 [1,1,0,0,0,0|1,1,0]=4 531 B9R1.1 COc1ccc(nc1)Br TS08354 [1,1,0,0,0,0|1,1,0]=4 532 B9R1.1 COc1ccc(nc1)Cl TS00910 [1,1,0,0,0,0|1,1,0]=4 533 B9R1.1 COc1ccc(nc1)N TS47440 [1,1,0,0,0,0|1,1,0]=4 534 B9R1.1 COc1cnc(cn1)Br TS08353 [1,1,0,0,0,0|0,1,0]=3 535 B9R1.1 COc1cnc(cn1)Cl TS40268 [1,1,0,0,0,0|0,1,0]=3 536 B9R1.1 COc1cnc(cn1)N TS47439 [1,1,0,0,0,0|0,1,0]=3 537 B9R1.1 CSc1ccc(cc1)Br TS09618 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.1 CSc1ccc(cc1)Cl TS42001 [1,1,0,0,0,0|2,0,0]=4 539 B9R1.1 CSc1ccc(cc1)F TS06687 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.1 CSc1ccc(cc1)I TS27986 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.1 CSc1ccc(cc1)N TS06394 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.1 CSc1ccc(cc1)O TS37396 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.1 CSc1ccc(cc1)S TS41710 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.1 CSc1ccc(cn1)Br TS71433 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.1 CSc1ccc(nc1)N TS37399 [1,1,0,0,0,0|1,0,0]=3 547 B9R1.1 CSc1ncc(cn1)Br TS38756 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.1 Cc1ccc(cc1)SC TS71244 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.1 Cc1ccc(cn1)OC TS04979 [1,1,0,0,0,0|1,1,0]=4 550 B9R1.1 Cc1cnc(cn1)C#N TS01162 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.1 Cc1cnc(cn1)C=C TS04818 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.1 Cc1cnc(cn1)C=O TS88939 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.1 Cc1cnc(cn1)CCl TS85706 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.1 Cc1cnc(cn1)CN TS08244 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.1 c1c(ncc(n1)Br)C#N TS87425 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.1 c1c(ncc(n1)Cl)C#N TS87748 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.1 c1c(ncc(n1)Cl)C=O TS88126 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.1 c1c(ncc(n1)Cl)CO TS88145 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.1 c1c(ncc(n1)Cl)NN TS90176 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.1 c1c(ncc(n1)N)C#N TS00782 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.2 CCc1cc(cnc1)Br TS91617 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.2 CCc1cccc(n1)C TS32466 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.2 CCc1cccc(n1)N TS60098 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.2 CNc1cc(ccn1)Cl TS37689 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.2 CNc1cccc(n1)Cl TS94212 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.2 COc1cc(ccn1)Cl TS03053 [1,1,0,0,0,0|1,1,0]=4 567 B9R1.2 COc1cc(ccn1)F TS05258 [1,1,0,0,0,0|1,1,0]=4 568 B9R1.2 COc1cc(ccn1)I TS71184 [1,1,0,0,0,0|1,1,0]=4 569 B9R1.2 COc1cc(ccn1)N TS02966 [1,1,0,0,0,0|1,1,0]=4 570 B9R1.2 COc1cc(cnc1)Br TS65932 [1,1,0,0,0,0|1,1,0]=4 571 B9R1.2 COc1cc(cnc1)Cl TS06905 [1,1,0,0,0,0|1,1,0]=4 572 B9R1.2 COc1cc(cnc1)I TS25666 [1,1,0,0,0,0|1,1,0]=4 573 B9R1.2 COc1cc(cnc1)N TS55470 [1,1,0,0,0,0|1,1,0]=4 574 B9R1.2 COc1cc(cnc1)N TS89352 [1,1,0,0,0,0|1,1,0]=4 575 B9R1.2 COc1cc(cnc1)O TS55469 [1,1,0,0,0,0|1,1,0]=4 576 B9R1.2 COc1cccc(n1)Br TS08366 [1,1,0,0,0,0|1,1,0]=4 577 B9R1.2 COc1cccc(n1)Cl TS55270 [1,1,0,0,0,0|1,1,0]=4 578 B9R1.2 COc1cccc(n1)I TS56597 [1,1,0,0,0,0|1,1,0]=4 579 B9R1.2 COc1cccc(n1)O TS05074 [1,1,0,0,0,0|1,1,0]=4 580 B9R1.2 COc1cncc(n1)Cl TS90325 [1,1,0,0,0,0|0,1,0]=3 581 B9R1.2 CSc1[nH]c(=O)ccn1 TS89161 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.2 CSc1cc(ncn1)Cl TS09667 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.2 CSc1cccc(c1)Br TS60340 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.2 CSc1cccc(c1)Cl TS42003 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.2 CSc1cccc(c1)F TS60012 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.2 CSc1cccc(c1)I TS27987 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.2 CSc1cccc(c1)N TS02674 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.2 CSc1ccnc(n1)Cl TS11338 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.2 CSc1nccc(n1)Cl TS71017 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.2 CSc1nccc(n1)I TS71187 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.2 CSc1nccc(n1)N TS37508 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.2 CSc1nccc(n1)O TS65608 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.2 Cc1cc(cnc1)OC TS04960 [1,1,0,0,0,0|1,1,0]=4 594 B9R1.2 Cc1cccc(n1)OC TS00087 [1,1,0,0,0,0|1,1,0]=4 595 B9R1.2 Cc1ccnc(c1)OC TS04955 [1,1,0,0,0,0|1,1,0]=4 596 B9R1.2 Cc1ccnc(n1)SC TS85152 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.2 c1c(nc(cn1)Cl)C#N TS59956 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.2 c1c(nc(cn1)Cl)C#N TS89608 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.2 c1c(nc(cn1)Cl)C=O TS87072 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.2 c1c(nc(cn1)Cl)CN TS87934 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.2 c1c(nc(cn1)Cl)CO TS85795 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.2 c1c(nc(cn1)N)C#N TS90029 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.6 CC(=O)c1cnccn1 TS55718 [1,1,0,0,0,0|1,0,0]=3 606 B9R1.6 CC(C)c1ccccn1 TS32479 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.6 CC(C)c1ccccn1 TS49188 [1,1,0,0,0,0|2,0,0]=4 608 B9R1.6 CC(C)c1cnccn1 TS04911 [1,1,0,0,0,0|1,0,0]=3 609 B9R1.6 CC(c1ccccn1)N TS47025 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.6 CC(c1ccccn1)N TS59503 [1,1,0,0,0,0|2,0,0]=4 611 B9R1.6 CC(c1ccccn1)O TS08930 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.6 CC(c1cccnc1)N TS59573 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.6 CC(c1cnccn1)N TS86731 [1,1,0,0,0,0|1,0,0]=3 614 B9R1.6 CN(C)c1ccccn1 TS04916 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.6 CN(C)c1cccnc1 TS32521 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.6 C[C@H](c1ccccn1)O TS04976 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.6 C[C@H](c1cccnc1)O TS04956 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.6 c1cnc(cn1)C(=N)N TS32502 [1,1,0,0,0,0|2,0,0]=4 621 B9R1.6 c1cnc(cn1)C(=N)N TS59360 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.6 c1cnc(cn1)C(=O)Cl TS37679 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.6 c1cnc(cn1)C(=S)N TS37306 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.8 CCCc1ccccn1 TS85359 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.8 CCCc1cnccn1 TS59984 [1,1,0,0,0,0|1,0,0]=3 627 B9R1.8 CCOc1ccccn1 TS55309 [1,1,0,0,0,0|1,1,0]=4 628 B9R1.8 CCOc1cnccn1 TS05010 [1,1,0,0,0,0|0,1,0]=3 629 B9R1.8 CCSc1ccccc1 TS06299 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.8 CNCc1ccccn1 TS51966 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.8 CNCc1cccnc1 TS02609 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.8 CNCc1cnccn1 TS01556 [1,1,0,0,0,0|1,0,0]=3 633 B9R1.8 COCc1ccccn1 TS00518 [1,1,0,0,0,0|1,1,0]=4 634 B9R1.8 CSCc1ccccc1 TS06309 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.8 CSSc1ccccc1 TS41708 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.8 c1cc(cnc1)CCN TS41995 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.8 c1cc(cnc1)CCN TS65667 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.8 c1cc(cnc1)CCO TS39614 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.8 c1ccc(cc1)SCCl TS42004 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.8 c1ccnc(c1)CCCl TS37532 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.8 c1ccnc(c1)CCN TS04914 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.8 c1ccnc(c1)CCN TS17997 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.8 c1ccnc(c1)CCO TS04967 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.8 c1cnc(cn1)CC#N TS87071 [1,1,0,0,0,0|1,0,1]=4 645 B9R1.8 c1cnc(cn1)CCN TS32564 [1,1,0,0,0,0|1,0,0]=3 646 B9R1.8 c1cnc(cn1)CCS TS37406 [1,1,0,0,0,0|1,0,0]=3 647 B9R1.8 c1cnc(cn1)CNN TS88060 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.3 Cc1c(c(ccn1)Cl)Cl TS02536 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.3 Cc1c(c(ccn1)N)Cl TS06807 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.3 Cc1c(c(ccn1)N)N TS02446 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.3 Cc1c(ccnc1Cl)Br TS16933 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.3 Cc1c(ccnc1Cl)Cl TS00615 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.3 Cc1c(ccnc1Cl)I TS07713 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.3 Cc1c(ccnc1F)Br TS16272 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.3 Cc1c(nccc1N)C TS32511 [1,1,0,0,0,0|1,0,0]=3 656 B9R1.3 Cc1c(ncnc1O)C TS32615 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.3 Cc1cccc(c1C)Br TS65899 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.3 Cc1cccc(c1C)C TS07872 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.3 Cc1cccc(c1C)Cl TS65291 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.3 Cc1cccc(c1C)F TS65316 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.3 Cc1cccc(c1C)I TS25160 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.3 Cc1cccc(c1C)N TS07902 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.3 Cc1cccc(c1C)N TS10929 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.3 Cc1cccc(c1C)O TS07901 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.3 Cc1cccc(c1C)S TS06305 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.3 Cc1cccc(c1C)[Zn+] TS55969 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.3 Cc1cccc(c1S)C TS06310 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.3 Cc1cccn(=O)c1C TS04975 [1,1,0,0,0,0|1,0,1]=4 669 B9R1.69 Cc1c(cc(cn1)Br)Br TS02571 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.69 Cc1c(cc(cn1)Br)Cl TS89257 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.69 Cc1c(cc(cn1)Br)N TS49019 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.69 Cc1c(cc(cn1)Br)O TS15906 [1,1,0,0,0,0|1,1,0]=4 673 B9R1.69 Cc1c(cc(cn1)Cl)N TS88641 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.69 Cc1c(cc(cn1)N)Br TS03226 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.69 Cc1c(ccc(n1)Br)Br TS47246 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.69 Cc1c(ccc(n1)Br)F TS51005 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.69 Cc1c(ccc(n1)Br)F TS85438 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.69 Cc1c(ccc(n1)Br)N TS71351 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.69 Cc1c(ccc(n1)Cl)Br TS09467 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.69 Cc1c(ccc(n1)Cl)F TS55571 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.69 Cc1c(ccc(n1)Cl)I TS28512 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.69 Cc1c(ccc(n1)Cl)N TS65867 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.69 Cc1c(ccc(n1)F)Br TS09469 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.69 Cc1c(ccc(n1)F)I TS85259 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.69 Cc1c(ccc(n1)F)N TS36112 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.69 Cc1c(ccc(n1)N)Br TS47426 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.69 Cc1c(ccc(n1)N)Cl TS06806 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.69 Cc1c(ccc(n1)N)F TS09105 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.69 Cc1c(ccc(n1)N)I TS47434 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.69 Cc1c(ccc(n1)N)N TS32572 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.69 Cc1c(ccc(n1)O)Br TS09470 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.69 Cc1c(ccc(n1)O)N TS32613 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.69 Cc1c(nc(cn1)N)Br TS50644 [1,1,0,0,0,0|1,0,0]=3 694 B9R1.69 Cc1c(nnc(n1)N)C TS05027 [1,1,0,0,0,0|1,0,0]=3 695 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [1,1,0,0,0,0|1,0,0]=3 697 B9R1.69 Cc1cc(cnc1Br)Br TS47243 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.69 Cc1cc(cnc1Br)Cl TS39092 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.69 Cc1cc(cnc1Br)F TS16270 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.69 Cc1cc(cnc1Br)I TS55994 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.69 Cc1cc(cnc1Br)O TS15904 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.69 Cc1cc(cnc1Cl)Cl TS47254 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.69 Cc1cc(cnc1Cl)F TS55240 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.69 Cc1cc(cnc1Cl)I TS28511 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.69 Cc1cc(cnc1Cl)N TS71355 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.69 Cc1cc(cnc1Cl)O TS90895 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.69 Cc1cc(cnc1F)Br TS71418 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.69 Cc1cc(cnc1F)Cl TS09836 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.69 Cc1cc(cnc1F)I TS25995 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.69 Cc1cc(cnc1F)N TS71359 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.69 Cc1cc(cnc1I)Br TS55995 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.69 Cc1cc(cnc1N)Br TS00769 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.69 Cc1cc(cnc1N)Cl TS47374 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.69 Cc1cc(cnc1N)F TS03314 [1,1,0,0,0,0|2,0,0]=4 715 B9R1.69 Cc1cc(cnc1N)I TS47433 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.69 Cc1cc(cnc1N)N TS32578 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.69 Cc1cc(cnc1O)Br TS01048 [1,1,0,0,0,0|1,1,0]=4 718 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [1,1,0,0,0,0|1,1,0]=4 719 B9R1.69 Cc1cc(cnc1O)I TS25667 [1,1,0,0,0,0|1,1,0]=4 720 B9R1.69 Cc1cc(cnc1O)N TS05009 [1,1,0,0,0,0|1,1,0]=4 721 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [1,1,0,0,0,0|1,1,0]=4 728 B9R1.69 Cc1ccc(cc1C)Br TS39736 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.69 Cc1ccc(cc1C)F TS65457 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.69 Cc1ccc(cc1C)I TS25161 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.69 Cc1ccc(cc1C)N TS32462 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.69 Cc1ccc(cc1C)O TS00123 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.69 Cc1ccc(cc1C)S TS06303 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.69 Cc1ccc(cc1S)F TS06686 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.69 Cc1ccc(nc1C)C TS04872 [1,1,0,0,0,0|1,0,0]=3 738 B9R1.69 Cc1ccc(nc1C)C TS26913 [1,1,0,0,0,0|1,0,0]=3 739 B9R1.69 Cc1ccc(nc1C)N TS04919 [1,1,0,0,0,0|1,0,0]=3 740 B9R1.69 Cc1ccc(nc1Cl)Cl TS11473 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.69 Cc1ccc(nc1N)C TS02606 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.69 Cc1cnc(c(n1)Br)N TS08280 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.69 Cc1cnc(c(n1)C)C TS04917 [1,1,0,0,0,0|0,0,0]=2 744 B9R1.69 Cc1cnc(c(n1)C)N TS08856 [1,1,0,0,0,0|1,0,0]=3 745 B9R1.69 Cc1cnc(c(n1)Cl)C TS06805 [1,1,0,0,0,0|1,0,0]=3 746 B9R1.69 c1c(nc(c(n1)Br)Cl)N TS90011 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.69 c1c(nc(c(n1)Br)N)Br TS86001 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.69 c1c(nc(c(n1)Br)N)Cl TS89316 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.69 c1c(nc(c(n1)Cl)Br)Br TS90110 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.69 c1c(nc(c(n1)N)Br)Br TS08272 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.69 c1c(nc(c(n1)N)Cl)Br TS91666 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.69 c1c(nc(c(n1)N)Cl)I TS92173 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.69 c1c(nc(c(n1)N)N)Br TS88045 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.69 c1c(nc(c(n1)O)Br)Br TS02569 [1,1,0,0,0,0|1,1,0]=4 755 B9R1.22 CCn1c(cc(n1)C)C TS77178 [0,1,0,0,1,0|2,0,0]=4 756 B9R1.22 CCn1c(cc(n1)N)C TS36071 [0,1,0,0,1,0|2,0,0]=4 757 B9R1.22 Cc1cc(n(n1)C)NC TS36073 [0,1,0,0,1,0|2,0,0]=4 758 B9R1.22 Cn1c(nc(n1)N)SC TS06968 [0,1,0,0,1,0|1,0,0]=3 759 B9R1.27 CCc1c(c[nH]c1C)C TS32587 [0,1,0,0,1,0|1,0,1]=4 760 B9R1.33 CCOc1c(nco1)C TS36218 [0,1,0,0,1,0|1,1,0]=4 761 B9R1.33 CNCc1nccn1C TS05094 [0,1,0,0,1,0|2,0,0]=4 762 B9R1.33 Cc1c(cco1)SSC TS42221 [0,1,0,0,1,0|1,0,0]=3 763 B9R1.33 Cc1c(non1)CNC TS36232 [0,1,0,0,1,0|2,0,0]=4 764 B9R1.33 Cc1c(scn1)CCCl TS42365 [0,1,0,0,1,0|2,0,0]=4 765 B9R1.33 Cc1c(scn1)CCN TS37631 [0,1,0,0,1,0|2,0,0]=4 766 B9R1.33 Cc1c(scn1)CCO TS03166 [0,1,0,0,1,0|2,0,0]=4 767 B9R1.33 Cc1ccsc1CNC TS06621 [0,1,0,0,1,0|2,0,0]=4 768 B9R1.33 Cc1nccn1CCO TS05169 [0,1,0,0,1,0|2,0,0]=4 769 B9R1.41 CC(=O)c1nccn1C TS86142 [0,1,0,0,1,0|2,0,0]=4 770 B9R1.41 Cc1c(ocn1)C(=O)C TS46731 [0,1,0,0,1,0|2,0,0]=4 771 B9R1.41 Cc1c(scn1)C(=O)C TS37499 [0,1,0,0,1,0|2,0,0]=4 772 B9R1.41 Cc1ccsc1C(=O)C TS37389 [0,1,0,0,1,0|2,0,0]=4 773 B9R1.132 CCn1c(c(cn1)N)C TS05095 [0,1,0,0,1,0|2,0,0]=4 774 B11R1.265 CSc1c(c(ncn1)Cl)CN TS50990 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.17 CCCCc1c(nccn1)C TS09951 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.17 c1cnc(c(n1)NCCO)Cl TS13417 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.41 CCCc1c(nccn1)OC TS41162 [0,2,0,0,0,0|0,1,0]=3 778 B11R1.41 CCc1c(nccn1)OCC TS41156 [0,2,0,0,0,0|0,1,0]=3 779 B11R1.81 CCOc1ccc(nc1C)N TS03291 [0,2,0,0,0,0|1,1,0]=4 780 B11R1.86 Cc1c(nccn1)CC(C)C TS09939 [0,2,0,0,0,0|1,0,0]=3 781 B11R1.86 Cc1c(nccn1)OC(C)C TS41161 [0,2,0,0,0,0|0,1,0]=3 782 B11R1.222 COC(=O)c1c(nccn1)Br TS87022 [0,2,0,0,0,0|1,1,0]=4 783 B11R1.222 COC(=O)c1c(nccn1)Cl TS16646 [0,2,0,0,0,0|1,1,0]=4 784 B11R1.222 COC(=O)c1c(nccn1)N TS08547 [0,2,0,0,0,0|1,1,0]=4 785 B11R1.222 COC(=O)c1c(nccn1)O TS41332 [0,2,0,0,0,0|1,1,0]=4 786 B11R1.222 Cc1c(cccn1)C(=O)OC TS56260 [0,2,0,0,0,0|1,1,0]=4 787 B11R1.222 Cc1cccnc1C(=O)OC TS10019 [0,2,0,0,0,0|1,1,0]=4 788 B11R1.37 CCc1c(nc(cn1)C)CC TS09937 [0,2,0,0,0,0|1,0,0]=3 789 B11R1.37 COc1c(cc(cn1)Br)CN TS89747 [0,2,0,0,0,0|1,1,0]=4 790 B11R1.37 COc1c(cc(cn1)Br)CO TS87797 [0,2,0,0,0,0|1,1,0]=4 791 B11R1.37 COc1c(cc(cn1)F)CO TS03311 [0,2,0,0,0,0|1,1,0]=4 792 B11R1.37 COc1cc(cnc1OC)Br TS49352 [0,2,0,0,0,0|1,1,0]=4 793 B11R1.53 CC(C)c1c(nccn1)SC TS44909 [0,2,0,0,0,0|0,0,0]=2 794 B11R1.53 CCc1c(nccn1)C(=O)C TS09880 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.53 CSc1c(cccn1)C(=O)O TS02456 [0,2,0,0,0,0|1,0,1]=4 796 B11R1.166 Cc1cnc(c(n1)C)C(=O)C TS09884 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.279 Cc1cc(ccc1SC)OC TS44908 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.464 Cc1c(c(cc(n1)Cl)Cl)OC TS90452 [0,2,0,0,0,0|1,1,0]=4 799 B11R1.464 Cc1cc(cc(c1SC)C)O TS02601 [0,2,0,0,0,0|2,0,0]=4 800 B9R2.3 c1cn2c(n1)CCC2 TS31779 [0,0,0,1,1,0|2,0,0]=4 801 B11R2.20 c1cc2c(nc1)CCCC2 TS71334 [0,1,0,1,0,0|2,0,0]=4 802 B11R2.20 c1cc2c(nc1)CCCN2 TS05910 [0,1,0,1,0,0|2,0,0]=4 803 B11R2.20 c1cc2c(nc1)CCNC2 TS16957 [0,1,0,1,0,0|2,0,0]=4 804 B11R2.20 c1cc2c(nc1)CCNC2 TS94341 [0,1,0,1,0,0|2,0,0]=4 805 B11R2.20 c1cc2c(nc1)CNCC2 TS02254 [0,1,0,1,0,0|2,0,0]=4 806 B11R2.20 c1cc2c(nc1)CNCC2 TS86659 [0,1,0,1,0,0|2,0,0]=4 807 B11R2.20 c1cc2c(nc1)NCCC2 TS05909 [0,1,0,1,0,0|2,0,0]=4 808 B11R2.20 c1cc2c(nc1)NCCO2 TS02543 [0,1,0,1,0,0|1,1,0]=4 809 B11R2.20 c1cc2c(nc1)OCCN2 TS87732 [0,1,0,1,0,0|1,1,0]=4 810 B11R2.20 c1cc2c(nc1)OCCO2 TS37086 [0,1,0,1,0,0|1,1,0]=4 811 B11R2.20 c1ccc2c(c1)SCCS2 TS12590 [0,1,0,1,0,0|2,0,0]=4 812 B11R2.20 c1cnc2c(n1)CCCC2 TS71335 [0,1,0,1,0,0|1,0,0]=3 813 B11R2.1 CC1CCc2c1nccn2 TS05914 [0,1,0,1,0,0|1,0,0]=3 814 B11R2.1 Cc1c2c([nH]n1)nccn2 TS89715 [0,1,0,1,0,0|2,0,0]=4 815 B11R2.1 c1cc2c(nc1)C(=O)CC2 TS71343 [0,1,0,1,0,0|2,0,0]=4 816 B11R2.1 c1cc2c(nc1)C(CC2)O TS36915 [0,1,0,1,0,0|2,0,0]=4 817 B11R2.1 c1cc2c(nc1)CCC2=O TS01198 [0,1,0,1,0,0|2,0,0]=4 818 B11R2.1 c1cc2c(nc1)CCC2N TS59726 [0,1,0,1,0,0|2,0,0]=4 819 B11R2.36 c1c(cnc2c1CCC2)Br TS53949 [0,1,0,1,0,0|2,0,0]=4 820 B11R2.36 c1c(cnc2c1CCC2)N TS05911 [0,1,0,1,0,0|2,0,0]=4 821 B11R2.36 c1c(cnc2c1CCN2)Br TS16970 [0,1,0,1,0,0|2,0,0]=4 822 B11R2.36 c1cc(nc2c1CCC2)Cl TS32914 [0,1,0,1,0,0|2,0,0]=4 823 B11R2.36 c1cc(nc2c1CCC2)O TS29456 [0,1,0,1,0,0|2,0,0]=4 824 B7R1.1 CCc1[nH]ccn1 TS31379 [1,0,0,0,1,0|1,0,1]=4 825 B7R1.1 CCc1cc[nH]c1 TS03698 [1,0,0,0,1,0|1,0,1]=4 826 B7R1.1 CCc1ccc[nH]1 TS03700 [1,0,0,0,1,0|1,0,1]=4 827 B7R1.1 CCc1ccco1 TS31365 [1,0,0,0,1,0|2,0,0]=4 828 B7R1.1 CCc1cccs1 TS04335 [1,0,0,0,1,0|2,0,0]=4 829 B7R1.1 CCc1ccsc1 TS04333 [1,0,0,0,1,0|2,0,0]=4 830 B7R1.1 CCc1nccs1 TS32027 [1,0,0,0,1,0|2,0,0]=4 831 B7R1.1 CCn1cccn1 TS77180 [1,0,0,0,1,0|2,0,0]=4 832 B7R1.1 CCn1ccnc1 TS31376 [1,0,0,0,1,0|2,0,0]=4 833 B7R1.1 CCn1cncn1 TS00433 [1,0,0,0,1,0|2,0,0]=4 834 B7R1.1 CNc1ccn[nH]1 TS91536 [1,0,0,0,1,0|2,0,0]=4 835 B7R1.1 CNc1cnco1 TS01626 [1,0,0,0,1,0|2,0,0]=4 836 B7R1.1 CNc1cncs1 TS91086 [1,0,0,0,1,0|2,0,0]=4 837 B7R1.1 CNc1cocn1 TS01625 [1,0,0,0,1,0|2,0,0]=4 838 B7R1.1 CNc1cocn1 TS71270 [1,0,0,0,1,0|2,0,0]=4 839 B7R1.1 CNc1ncco1 TS05943 [1,0,0,0,1,0|2,0,0]=4 840 B7R1.1 COc1ccco1 TS03757 [1,0,0,0,1,0|1,1,0]=4 841 B7R1.1 COc1cccs1 TS39279 [1,0,0,0,1,0|1,1,0]=4 842 B7R1.1 COc1ccsc1 TS70649 [1,0,0,0,1,0|1,1,0]=4 843 B7R1.1 CSc1[nH]nnn1 TS04580 [1,0,0,0,1,0|2,0,0]=4 844 B7R1.1 CSc1c[nH]cn1 TS04457 [1,0,0,0,1,0|0,0,1]=3 845 B7R1.1 CSc1cccs1 TS05614 [1,0,0,0,1,0|1,0,0]=3 846 B7R1.1 CSc1ccsc1 TS05615 [1,0,0,0,1,0|1,0,0]=3 847 B7R1.1 CSc1nccs1 TS36627 [1,0,0,0,1,0|1,0,0]=3 848 B7R1.4 Cc1c([nH]cn1)Br TS11351 [1,0,0,0,1,0|1,0,1]=4 849 B7R1.4 Cc1c(c[nH]n1)Br TS60050 [1,0,0,0,1,0|2,0,0]=4 850 B7R1.4 Cc1c(c[nH]n1)I TS20472 [1,0,0,0,1,0|2,0,0]=4 851 B7R1.4 Cc1c(c[nH]n1)N TS31401 [1,0,0,0,1,0|2,0,0]=4 852 B7R1.4 Cc1c(cco1)S TS32089 [1,0,0,0,1,0|1,0,0]=3 853 B7R1.4 Cc1c(cco1)S TS41631 [1,0,0,0,1,0|1,0,0]=3 854 B7R1.4 Cc1c(ccs1)S TS59980 [1,0,0,0,1,0|1,0,0]=3 855 B7R1.4 Cc1c(nc[nH]1)C TS31375 [1,0,0,0,1,0|0,0,1]=3 856 B7R1.4 Cc1c(non1)C TS03773 [1,0,0,0,1,0|1,0,0]=3 857 B7R1.4 Cc1c(non1)N TS03808 [1,0,0,0,1,0|2,0,0]=4 858 B7R1.4 Cc1c(ocn1)C TS31395 [1,0,0,0,1,0|1,0,0]=3 859 B7R1.4 Cc1c(scn1)C TS32025 [1,0,0,0,1,0|1,0,0]=3 860 B7R1.4 Cc1c[nH]cc1C TS89902 [1,0,0,0,1,0|2,0,0]=4 861 B7R1.4 Cc1c[nH]nc1Br TS85761 [1,0,0,0,1,0|2,0,0]=4 862 B7R1.4 Cc1ccnn1C TS46819 [1,0,0,0,1,0|1,0,0]=3 863 B7R1.4 Cc1ccoc1C TS31373 [1,0,0,0,1,0|1,0,0]=3 864 B7R1.4 Cc1ccsc1Br TS08660 [1,0,0,0,1,0|2,0,0]=4 865 B7R1.4 Cc1ccsc1C TS04331 [1,0,0,0,1,0|1,0,0]=3 866 B7R1.4 Cc1ccsc1Cl TS36735 [1,0,0,0,1,0|2,0,0]=4 867 B7R1.4 Cc1cscc1C TS59997 [1,0,0,0,1,0|2,0,0]=4 868 B7R1.4 Cc1nccn1C TS31380 [1,0,0,0,1,0|1,0,0]=3 869 B7R1.4 Cn1c(ccn1)N TS00488 [1,0,0,0,1,0|2,0,0]=4 870 B7R1.4 Cn1c(ncn1)N TS31420 [1,0,0,0,1,0|2,0,0]=4 871 B7R1.4 Cn1c(nnn1)S TS04582 [1,0,0,0,1,0|2,0,0]=4 872 B7R1.4 Cn1c(nnn1)S TS37169 [1,0,0,0,1,0|2,0,0]=4 873 B7R1.4 Cn1c(nnn1)S TS93227 [1,0,0,0,1,0|2,0,0]=4 874 B7R1.4 Cn1ccnc1Br TS55074 [1,0,0,0,1,0|2,0,0]=4 875 B7R1.4 Cn1ccnc1Cl TS04651 [1,0,0,0,1,0|2,0,0]=4 876 B7R1.4 Cn1ccnc1I TS01066 [1,0,0,0,1,0|2,0,0]=4 877 B7R1.4 Cn1ccnc1S TS60134 [1,0,0,0,1,0|1,0,0]=3 878 B7R1.4 Cn1cnnc1S TS32148 [1,0,0,0,1,0|2,0,0]=4