0 B8R1.2 C#Cc1ccccc1 LS10701 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.2 CNc1cccnc1 LS20470 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.2 c1cc(cnc1)C=O LS20485 [0,0,0,0,0,0|1,0,1]=2 3 B8R1.2 c1ccc(cc1)C=O LS41490 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.2 c1ccc(cc1)CO LS41488 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.2 c1cnc(cn1)CN LS20127 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 c1cnc(cn1)CN LS20128 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.2 c1cnccc1C=O LS20943 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.2 c1cnccc1CN LS20857 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 c1cnccc1NN LS20045 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.3 c1c(cncn1)Br LS21249 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.3 c1c(cncn1)Cl LS20622 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.3 c1c(cncn1)F LS20621 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.3 c1cc(cnc1)Br LS20426 [1,0,0,0,0,0|1,0,0]=2 14 B7R1.3 c1cc(cnc1)F LS20779 [1,0,0,0,0,0|1,0,0]=2 15 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.3 c1ccnc(c1)Br LS20874 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.3 c1ccnc(c1)F LS20778 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.3 c1ccnc(c1)N LS20582 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 c1cnc(cn1)Cl LS20940 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.3 c1cnccc1F LS40545 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.3 c1cnccc1N LS20499 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.3 c1cnccc1O LS21099 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [0,1,0,0,0,0|1,0,2]=4 24 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [0,1,0,0,0,0|1,0,2]=4 25 B9R1.1 CCc1ccc(cc1)F LS11765 [0,1,0,0,0,0|1,0,0]=2 26 B9R1.1 CCc1ccc(cn1)Br LS21179 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.1 COc1ccc(cc1)O LS10474 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.1 COc1ccc(cc1)S LS11831 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.1 COc1ccc(cn1)Br LS21039 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.1 COc1ccc(cn1)F LS20238 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.1 COc1ccc(cn1)N LS20615 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.1 COc1ccc(nc1)Cl LS20524 [0,1,0,0,0,0|1,0,0]=2 33 B9R1.1 CSc1cnc(cn1)Br LS20173 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.1 Cc1ccc(cc1)C#C LS10578 [0,1,0,0,0,0|1,0,2]=4 35 B9R1.1 Cc1ccc(cc1)CBr LS11264 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.1 Cc1ccc(cc1)CN LS11220 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.1 Cc1ccc(cc1)CO LS11273 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.1 Cc1ccc(nc1)OC LS20323 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.1 c1c(ncc(n1)N)C#N LS20036 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.1 c1cc(ccc1C#N)Br LS11574 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.1 c1cc(ccc1C#N)F LS10440 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.1 c1cc(ccc1C#N)N LS10115 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.1 c1cc(ccc1CBr)Br LS11427 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.1 c1cc(ccc1CBr)F LS10228 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.1 c1cc(ccc1CBr)I LS11269 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.1 c1cc(ccc1CO)I LS11275 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.1 c1cc(ccc1CO)N LS10779 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.1 c1cc(ccc1NN)F LS10358 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.1 c1cc(ncc1Br)CO LS20572 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.1 c1cc(ncc1C#N)Br LS20012 [0,1,0,0,0,0|1,0,1]=3 53 B9R1.1 c1cc(ncc1C#N)Cl LS20006 [0,1,0,0,0,0|1,0,1]=3 54 B9R1.1 c1cc(ncc1C=O)Br LS20544 [0,1,0,0,0,0|1,0,1]=3 55 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [0,1,0,0,0,0|1,0,1]=3 56 B9R1.1 c1cc(ncc1CO)N LS40930 [0,1,0,0,0,0|1,0,0]=2 57 B9R1.2 C#Cc1cccc(c1)N LS10320 [0,1,0,0,0,0|1,0,2]=4 58 B9R1.2 C=Cc1cccc(c1)Br LS11651 [0,1,0,0,0,0|1,0,2]=4 59 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [0,1,0,0,0,0|1,0,2]=4 60 B9R1.2 C=Cc1cccc(c1)F LS11648 [0,1,0,0,0,0|1,0,2]=4 61 B9R1.2 CNc1cccc(c1)Cl LS10187 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.2 COc1cc(ccn1)Br LS21151 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.2 COc1cc(ccn1)Cl LS20320 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.2 COc1cc(ccn1)N LS20329 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.2 COc1cc(nnc1)Cl LS21025 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.2 COc1cccc(n1)Cl LS20709 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.2 COc1cccc(n1)N LS20232 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.2 Cc1cccc(c1)C=O LS11853 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.2 Cc1cccc(c1)CBr LS11263 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.2 Cc1cccc(c1)CCl LS11215 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.2 Cc1cccc(c1)CN LS11219 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.2 Cc1cccc(n1)CO LS20207 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.2 c1c(cncc1Br)C=O LS20038 [0,1,0,0,0,0|1,0,1]=3 74 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.2 c1cc(cc(c1)F)CO LS11387 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [0,1,0,0,0,0|2,0,1]=4 77 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.2 c1cnc(cc1CO)N LS21015 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.6 B(c1ccccc1)(O)O LS00011 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.6 B(c1cccnc1)(O)O LS20190 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.6 B(c1cncnc1)(O)O LS11123 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,1,0,0,0,0|0,0,1]=2 84 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [0,1,0,0,0,0|1,0,0]=2 85 B9R1.6 C[C@H](c1ccccc1)N LS30099 [0,1,0,0,0,0|1,0,0]=2 86 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [0,1,0,0,0,0|1,0,1]=3 87 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.8 CNNc1ccccc1 LS10173 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.8 c1cc(cnc1)CC=O LS21221 [0,1,0,0,0,0|0,0,1]=2 93 B9R1.8 c1ccc(cc1)CCN LS10634 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.8 c1ccc(cc1)CCN LS10635 [0,1,0,0,0,0|1,0,0]=2 95 B9R1.8 c1ccc(cc1)CNO LS11836 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.8 c1ccc(cc1)CNO LS40338 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.8 c1ccc(cc1)CON LS40003 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.8 c1ccnc(c1)CC#N LS20875 [0,1,0,0,0,0|2,0,1]=4 100 B9R1.8 c1cnccc1CCN LS21103 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.15 C=Cc1ccccc1Br LS11653 [0,1,0,0,0,0|1,0,2]=4 102 B9R1.15 C=Cc1ccccc1Cl LS11654 [0,1,0,0,0,0|1,0,2]=4 103 B9R1.15 C=Cc1ccccc1F LS11647 [0,1,0,0,0,0|1,0,2]=4 104 B9R1.15 CCc1c(cncn1)F LS20618 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.15 CNc1ccccc1Br LS11478 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.15 CNc1ccccc1F LS10646 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.15 COc1c(cccn1)I LS20331 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.15 COc1cccnc1Br LS20368 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.15 COc1cncnc1N LS20720 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.15 CSc1ccccc1Br LS11369 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.15 Cc1ccccc1C#C LS11393 [0,1,0,0,0,0|1,0,2]=4 112 B9R1.15 Cc1ccccc1C=O LS11852 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.15 Cc1ccccc1CBr LS11262 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.15 Cc1ccccc1CN LS11218 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.15 Cc1ccccc1CO LS11274 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.15 Cc1ccncc1C#N LS20001 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.15 c1c(c(ncn1)Cl)C#N LS20521 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.15 c1cc(c(nc1)CO)O LS20165 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.15 c1cc(c(nc1)Cl)C=O LS20395 [0,1,0,0,0,0|1,0,1]=3 120 B9R1.15 c1cc(c(nc1)Cl)CO LS20227 [0,1,0,0,0,0|1,0,0]=2 121 B9R1.15 c1cc(c(nc1)N)C#N LS20375 [0,1,0,0,0,0|1,0,1]=3 122 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [0,1,0,0,0,0|1,0,1]=3 123 B9R1.15 c1cc(c(nc1)N)CO LS41435 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.15 c1cc(c(nc1)O)C#N LS20339 [0,1,0,0,0,0|1,0,1]=3 125 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [0,1,0,0,0,0|1,0,1]=3 126 B9R1.15 c1ccc(c(c1)C#N)Br LS11428 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.15 c1ccc(c(c1)CO)F LS11270 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.15 c1ccc(c(c1)CO)I LS11276 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.15 c1ccc(c(c1)CO)N LS10594 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.15 c1ccc(c(c1)NN)Br LS11826 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.15 c1ccc(c(c1)NN)F LS11539 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.15 c1cncc(c1Br)C#N LS20628 [0,1,0,0,0,0|1,0,1]=3 138 B7R1.1 C=Cn1ccnc1 LS21038 [0,0,0,0,1,0|1,0,2]=4 139 B7R1.1 CCc1[nH]ccn1 LS20052 [0,0,0,0,1,0|1,0,0]=2 140 B7R1.1 c1c(nc[nH]1)C=O LS20992 [0,0,0,0,1,0|2,0,1]=4 141 B7R1.1 c1c(nc[nH]1)CO LS20464 [0,0,0,0,1,0|2,0,0]=3 142 B7R1.1 c1c(ncs1)C=O LS21128 [0,0,0,0,1,0|2,0,1]=4 143 B7R1.1 c1c(ncs1)CCl LS21096 [0,0,0,0,1,0|2,0,0]=3 144 B7R1.1 c1c(ncs1)CN LS21063 [0,0,0,0,1,0|2,0,0]=3 145 B7R1.1 c1cc([nH]c1)C=O LS00119 [0,0,0,0,1,0|1,0,2]=4 146 B7R1.1 c1cc(sc1)C=O LS40350 [0,0,0,0,1,0|2,0,1]=4 147 B7R1.1 c1cc(sc1)CO LS20642 [0,0,0,0,1,0|2,0,0]=3 148 B7R1.1 c1cn(cn1)CO LS20270 [0,0,0,0,1,0|2,0,0]=3 149 B7R1.1 c1cnc([nH]1)C=O LS20564 [0,0,0,0,1,0|2,0,1]=4 150 B7R1.1 c1csc(n1)C=O LS20580 [0,0,0,0,1,0|2,0,1]=4 151 B7R1.1 c1csc(n1)CN LS21076 [0,0,0,0,1,0|2,0,0]=3 152 B7R1.1 c1cscc1C=O LS20646 [0,0,0,0,1,0|2,0,1]=4 153 B6R1.1 c1cc[nH+]cc1 LS00013 [2,0,0,0,0,0|0,0,1]=3 154 B6R1.1 c1ccncc1 LS40760 [2,0,0,0,0,0|0,0,0]=2 155 B6R1.1 c1cnccn1 LS20037 [2,0,0,0,0,0|1,0,0]=3 156 B6R1.1 c1cncnc1 LS20614 [2,0,0,0,0,0|1,0,0]=3 157 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [1,1,0,0,0,0|2,0,0]=4 158 B8R1.3 Cc1ccc(cc1)Cl LS11416 [1,1,0,0,0,0|1,0,0]=3 159 B8R1.3 Cc1ccc(cn1)Br LS20399 [1,1,0,0,0,0|1,0,0]=3 160 B8R1.3 Cc1ccc(nc1)Br LS20538 [1,1,0,0,0,0|0,0,0]=2 161 B8R1.3 Cc1ccc(nc1)Cl LS20543 [1,1,0,0,0,0|0,0,0]=2 162 B8R1.3 Cc1ccc(nn1)Cl LS21118 [1,1,0,0,0,0|1,0,0]=3 163 B8R1.3 Cc1cnc(cn1)N LS20063 [1,1,0,0,0,0|1,0,0]=3 164 B8R1.3 c1c(cnc(n1)Br)Br LS20480 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.3 c1c(cnc(n1)Cl)F LS20473 [1,1,0,0,0,0|2,0,0]=4 166 B8R1.3 c1c(cnc(n1)Cl)N LS20481 [1,1,0,0,0,0|2,0,0]=4 167 B8R1.3 c1c(cnc(n1)F)Br LS21159 [1,1,0,0,0,0|2,0,0]=4 168 B8R1.3 c1c(cnc(n1)N)Cl LS21227 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.3 c1c(cnc(n1)O)Br LS21235 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.3 c1c(ncc(n1)Br)N LS20288 [1,1,0,0,0,0|2,0,0]=4 171 B8R1.3 c1cc(=O)[nH]cc1Br LS21018 [1,1,0,0,0,0|1,0,1]=4 172 B8R1.3 c1cc(ccc1Br)I LS11203 [1,1,0,0,0,0|2,0,0]=4 173 B8R1.3 c1cc(ccc1F)F LS11211 [1,1,0,0,0,0|2,0,0]=4 174 B8R1.3 c1cc(ccc1N)Br LS11446 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.3 c1cc(ccc1N)I LS11481 [1,1,0,0,0,0|2,0,0]=4 176 B8R1.3 c1cc(ccc1O)Br LS11445 [1,1,0,0,0,0|2,0,0]=4 177 B8R1.3 c1cc(ccc1O)F LS10647 [1,1,0,0,0,0|2,0,0]=4 178 B8R1.3 c1cc(ccc1O)I LS10366 [1,1,0,0,0,0|2,0,0]=4 179 B8R1.3 c1cc(ncc1Br)Br LS21029 [1,1,0,0,0,0|1,0,0]=3 180 B8R1.3 c1cc(ncc1Br)Cl LS20547 [1,1,0,0,0,0|1,0,0]=3 181 B8R1.3 c1cc(ncc1Br)F LS20408 [1,1,0,0,0,0|1,0,0]=3 182 B8R1.3 c1cc(ncc1Br)I LS20184 [1,1,0,0,0,0|1,0,0]=3 183 B8R1.3 c1cc(ncc1Cl)Br LS20546 [1,1,0,0,0,0|1,0,0]=3 184 B8R1.3 c1cc(ncc1Cl)Cl LS20534 [1,1,0,0,0,0|1,0,0]=3 185 B8R1.3 c1cc(ncc1Cl)F LS20537 [1,1,0,0,0,0|1,0,0]=3 186 B8R1.3 c1cc(ncc1F)Br LS20585 [1,1,0,0,0,0|1,0,0]=3 187 B8R1.3 c1cc(ncc1F)F LS20951 [1,1,0,0,0,0|1,0,0]=3 188 B8R1.3 c1cc(ncc1F)N LS20484 [1,1,0,0,0,0|1,0,0]=3 189 B8R1.3 c1cc(ncc1F)O LS20722 [1,1,0,0,0,0|1,0,0]=3 190 B8R1.3 c1cc(ncc1I)Cl LS20455 [1,1,0,0,0,0|1,0,0]=3 191 B8R1.3 c1cc(ncc1I)F LS20342 [1,1,0,0,0,0|1,0,0]=3 192 B8R1.3 c1cc(ncc1I)N LS20442 [1,1,0,0,0,0|1,0,0]=3 193 B8R1.3 c1cc(ncc1N)Cl LS20443 [1,1,0,0,0,0|1,0,0]=3 194 B8R1.3 c1cc(ncc1N)F LS20550 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.3 c1cc(ncc1N)O LS20334 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.3 c1cc(ncc1O)F LS20343 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.3 c1cc(ncc1O)N LS20718 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.3 c1cc(nnc1N)Br LS20114 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.3 c1cc(nnc1N)Cl LS20255 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.4 Cc1cc(cnc1)Br LS20401 [1,1,0,0,0,0|0,0,0]=2 201 B8R1.4 Cc1cc(cnc1)C LS41253 [1,1,0,0,0,0|0,0,0]=2 202 B8R1.4 Cc1cccc(n1)Br LS20561 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.4 Cc1cccc(n1)Cl LS20527 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.4 Cc1ccnc(c1)Br LS20539 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.4 Cc1ccnc(c1)Cl LS20535 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.4 Cc1ccnc(c1)F LS20532 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.4 c1c(cncc1Br)Br LS20981 [1,1,0,0,0,0|1,0,0]=3 208 B8R1.4 c1c(cncc1Br)N LS20949 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.4 c1c(cncc1Cl)Cl LS20213 [1,1,0,0,0,0|1,0,0]=3 210 B8R1.4 c1c(cncc1F)O LS20013 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.4 c1c(cnnc1Cl)Cl LS21226 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.4 c1cc(cc(c1)Br)N LS10546 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.4 c1cc(cc(c1)F)F LS10472 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.4 c1cc(cc(c1)F)O LS11397 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.4 c1cc(cc(c1)I)Br LS11202 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.4 c1cc(cc(c1)I)N LS10554 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.4 c1cc(cc(c1)S)O LS11830 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.5 Cc1c(cccn1)Br LS20529 [1,1,0,0,0,0|1,0,0]=3 219 B8R1.5 Cc1c(cccn1)F LS00100 [1,1,0,0,0,0|1,0,0]=3 220 B8R1.5 Cc1c(cccn1)O LS20321 [1,1,0,0,0,0|1,0,0]=3 221 B8R1.5 Cc1c(cncn1)Br LS20023 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.5 Cc1c(cncn1)Cl LS21219 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.5 Cc1c(nccn1)Cl LS20451 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.5 Cc1ccccc1Cl LS11417 [1,1,0,0,0,0|1,0,0]=3 225 B8R1.5 Cc1cccnc1Br LS20246 [1,1,0,0,0,0|0,0,0]=2 226 B8R1.5 Cc1cccnc1F LS20403 [1,1,0,0,0,0|0,0,0]=2 227 B8R1.5 Cc1cccnc1N LS20579 [1,1,0,0,0,0|0,0,0]=2 228 B8R1.5 Cc1cccnc1O LS20286 [1,1,0,0,0,0|0,0,0]=2 229 B8R1.5 Cc1ccncc1Br LS20222 [1,1,0,0,0,0|1,0,0]=3 230 B8R1.5 Cc1ccncc1F LS20260 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.5 Cc1ccncc1N LS20500 [1,1,0,0,0,0|1,0,0]=3 232 B8R1.5 Cc1cnccc1Br LS20316 [1,1,0,0,0,0|0,0,0]=2 233 B8R1.5 Cc1cnccc1Cl LS20243 [1,1,0,0,0,0|0,0,0]=2 234 B8R1.5 Cc1cncnc1Cl LS20953 [1,1,0,0,0,0|1,0,0]=3 235 B8R1.5 Cn1ccccc1=O LS40391 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.5 c1c(c(ncn1)Br)F LS21214 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.5 c1c(c(ncn1)Br)N LS21199 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.5 c1c(c(ncn1)Cl)F LS20617 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.5 c1cc(c(nc1)Br)Br LS20191 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.5 c1cc(c(nc1)Br)F LS20948 [1,1,0,0,0,0|1,0,0]=3 241 B8R1.5 c1cc(c(nc1)Br)N LS20186 [1,1,0,0,0,0|1,0,0]=3 242 B8R1.5 c1cc(c(nc1)Cl)Cl LS20542 [1,1,0,0,0,0|1,0,0]=3 243 B8R1.5 c1cc(c(nc1)Cl)F LS20427 [1,1,0,0,0,0|1,0,0]=3 244 B8R1.5 c1cc(c(nc1)Cl)I LS20536 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.5 c1cc(c(nc1)F)Br LS20414 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.5 c1cc(c(nc1)F)F LS20846 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.5 c1cc(c(nc1)I)N LS20187 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.5 c1cc(c(nc1)N)Br LS20925 [1,1,0,0,0,0|1,0,0]=3 249 B8R1.5 c1cc(c(nc1)N)F LS20418 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.5 c1cc(c(nc1)N)N LS20494 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.5 c1ccc(c(c1)Br)Br LS11475 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.5 c1ccc(c(c1)Br)I LS10473 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.5 c1ccc(c(c1)Cl)I LS10577 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.5 c1ccc(c(c1)N)Br LS11448 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.5 c1ccc(c(c1)N)I LS10537 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.5 c1ccc(c(c1)O)Br LS11447 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.5 c1ccc(c(c1)O)F LS10471 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.5 c1ccc(c(c1)O)I LS00004 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.5 c1cnc(c(n1)N)Cl LS21181 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.5 c1cncc(c1Br)Cl LS20493 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.5 c1cncc(c1Cl)Cl LS20322 [1,1,0,0,0,0|1,0,0]=3 263 B8R1.5 c1cncc(c1N)F LS20317 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.5 c1cncc(c1N)N LS00018 [1,1,0,0,0,0|1,0,0]=3 265 B8R1.1 c1cc(sc1CCl)Cl LS20823 [0,1,0,0,1,0|2,0,0]=4 266 B8R1.7 CC(=O)c1c[nH]cn1 LS20519 [0,1,0,0,1,0|1,0,1]=4 267 B8R1.7 CC(=O)c1cccs1 LS20643 [0,1,0,0,1,0|1,0,1]=4 268 B8R1.7 CC(=O)c1ccsc1 LS20391 [0,1,0,0,1,0|1,0,1]=4 269 B8R1.7 CC(C)c1c[nH]cn1 LS21206 [0,1,0,0,1,0|1,0,0]=3 270 B8R1.8 CNCc1nccs1 LS21077 [0,1,0,0,1,0|1,0,0]=3 271 B8R1.8 c1c(cn[nH]1)CCCl LS20059 [0,1,0,0,1,0|1,0,0]=3 272 B8R1.8 c1cc(sc1)CC#N LS21115 [0,1,0,0,1,0|1,0,1]=4 273 B8R1.8 c1cc(sc1)CCN LS21113 [0,1,0,0,1,0|1,0,0]=3 274 B8R1.8 c1cc(sc1)CCO LS21112 [0,1,0,0,1,0|1,0,0]=3 275 B8R1.8 c1cn(cn1)CC#N LS20233 [0,1,0,0,1,0|1,0,1]=4 276 B8R1.8 c1cn(cn1)CCN LS20098 [0,1,0,0,1,0|1,0,0]=3 277 B8R1.11 Cn1ccnc1CO LS20254 [0,1,0,0,1,0|2,0,0]=4 278 B10R1.1 CCOc1ccc(cn1)Br LS20352 [0,2,0,0,0,0|2,0,0]=4 279 B10R1.1 Cc1ccc(cc1)CCN LS11229 [0,2,0,0,0,0|1,0,0]=3 280 B10R1.1 Cc1ccc(cc1)CCO LS11239 [0,2,0,0,0,0|1,0,0]=3 281 B10R1.1 c1cc(ccc1CC#N)Cl LS11213 [0,2,0,0,0,0|1,0,1]=4 282 B10R1.1 c1cc(ccc1CCN)Br LS11228 [0,2,0,0,0,0|1,0,0]=3 283 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [0,2,0,0,0,0|1,0,0]=3 284 B10R1.1 c1cc(ccc1CCN)N LS10602 [0,2,0,0,0,0|1,0,0]=3 285 B10R1.1 c1cc(ccc1CCN)O LS11714 [0,2,0,0,0,0|1,0,0]=3 286 B10R1.1 c1cc(ccc1CCO)Br LS11249 [0,2,0,0,0,0|1,0,0]=3 287 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [0,2,0,0,0,0|1,0,0]=3 288 B10R1.1 c1cc(ccc1CCO)F LS11241 [0,2,0,0,0,0|1,0,0]=3 289 B10R1.1 c1cc(ncc1CC#N)Cl LS20444 [0,2,0,0,0,0|0,0,1]=3 290 B10R1.3 c1cc(ccc1CCl)C#N LS11851 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.3 c1cc(ccc1CCl)CCl LS11854 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.13 B(c1ccc(nc1)Br)(O)O LS11091 [0,2,0,0,0,0|2,0,0]=4 293 B10R1.13 B(c1ccc(nc1)C)(O)O LS11103 [0,2,0,0,0,0|2,0,0]=4 294 B10R1.13 B(c1ccc(nc1)Cl)(O)O LS11095 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.13 B(c1ccc(nc1)F)(O)O LS20294 [0,2,0,0,0,0|2,0,0]=4 296 B10R1.13 B(c1ccc(nc1)N)(O)O LS21229 [0,2,0,0,0,0|2,0,0]=4 297 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [0,2,0,0,0,0|1,0,1]=4 298 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [0,2,0,0,0,0|1,0,1]=4 299 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [0,2,0,0,0,0|1,0,1]=4 300 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [0,2,0,0,0,0|1,0,1]=4 301 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [0,2,0,0,0,0|0,0,1]=3 302 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [0,2,0,0,0,0|1,0,1]=4 305 B10R1.13 Cc1ncc(cn1)C(=O)C LS20101 [0,2,0,0,0,0|1,0,1]=4 306 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [0,2,0,0,0,0|1,0,1]=4 307 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [0,2,0,0,0,0|1,0,1]=4 308 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br LS20528 [0,2,0,0,0,0|2,0,0]=4 309 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl LS20540 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.13 c1cc(ncc1[N+](=O)[O-])F LS20769 [0,2,0,0,0,0|2,0,0]=4 311 B10R1.13 c1cc(ncc1[N+](=O)[O-])N LS20477 [0,2,0,0,0,0|2,0,0]=4 312 B10R1.13 c1cc(ncc1[N+](=O)[O-])O LS20531 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.25 COc1ccc(cc1Br)N LS10092 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.25 COc1ccc(cc1F)N LS10107 [0,2,0,0,0,0|2,0,0]=4 315 B10R1.25 COc1ccc(cc1F)O LS10467 [0,2,0,0,0,0|2,0,0]=4 316 B10R1.25 COc1ccc(cc1I)N LS10132 [0,2,0,0,0,0|2,0,0]=4 317 B10R1.25 COc1cnc(nc1Cl)Cl LS20707 [0,2,0,0,0,0|2,0,0]=4 318 B10R1.25 COc1cnc(nc1N)Cl LS20721 [0,2,0,0,0,0|2,0,0]=4 319 B10R1.25 COc1cnc(nc1O)O LS20708 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.25 Cc1c(ccc(n1)Br)C#N LS20364 [0,2,0,0,0,0|1,0,1]=4 321 B10R1.25 Cc1cc(ncc1C#N)Br LS20365 [0,2,0,0,0,0|1,0,1]=4 322 B10R1.25 Cc1cc(ncc1C#N)N LS20370 [0,2,0,0,0,0|1,0,1]=4 323 B10R1.25 c1cc(c(cc1Br)Br)CO LS11326 [0,2,0,0,0,0|2,0,0]=4 324 B10R1.25 c1cc(c(cc1Cl)Cl)CN LS11223 [0,2,0,0,0,0|2,0,0]=4 325 B10R1.176 COc1ccc(c(c1)Br)Cl LS11200 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.176 COc1ccc(c(c1)Br)N LS10024 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.176 COc1ccc(c(c1)I)N LS10038 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.176 COc1ccc(c(c1)N)Br LS11669 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.176 COc1ccc(c(c1)N)F LS10016 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.176 Cc1cc(cnc1N)C#N LS20371 [0,2,0,0,0,0|1,0,1]=4 331 B10R1.176 c1cc(c(cc1CN)Cl)Cl LS11225 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.2 COc1cccc(c1Cl)N LS10071 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.2 COc1cccc(c1F)Br LS10315 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.2 Cc1c(cccc1Cl)OC LS11764 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.2 Cc1c(cccc1OC)N LS11795 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.2 Cc1c(cccc1OC)N LS11803 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.2 c1cc(c(c(c1)Br)F)CO LS11308 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.2 c1cc(c(c(c1)Cl)Cl)CBr LS11265 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN LS11222 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.8 COc1cc(cc(c1)Br)Br LS10488 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.8 COc1cc(cc(c1)Br)F LS10314 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.8 COc1cc(cc(c1)Cl)Cl LS10338 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.10 Cc1cccc(c1)CCO LS11238 [0,2,0,0,0,0|1,0,0]=3 344 B10R1.10 c1cc(cc(c1)Br)CCN LS11227 [0,2,0,0,0,0|1,0,0]=3 345 B10R1.10 c1cc(cc(c1)Br)CCO LS11248 [0,2,0,0,0,0|1,0,0]=3 346 B10R1.10 c1cc(cc(c1)Cl)CCN LS11232 [0,2,0,0,0,0|1,0,0]=3 347 B10R1.10 c1cc(cc(c1)F)CC#N LS10556 [0,2,0,0,0,0|1,0,1]=4 348 B10R1.30 CCc1cc(ccc1Cl)O LS10481 [0,2,0,0,0,0|1,0,0]=3 349 B10R1.30 CCc1cc(nnc1Cl)Cl LS20175 [0,2,0,0,0,0|1,0,0]=3 350 B10R1.30 COc1cc(ccc1Br)Br LS10232 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.30 COc1cc(ccc1Cl)I LS10238 [0,2,0,0,0,0|2,0,0]=4 352 B10R1.30 COc1cc(ccc1F)F LS11368 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.30 COc1cc(ccc1F)N LS10127 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.30 COc1cc(ccc1F)O LS10037 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.30 COc1cc(ccc1I)Cl LS10237 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.30 COc1cc(ccc1N)Br LS10476 [0,2,0,0,0,0|2,0,0]=4 357 B10R1.30 COc1cc(ccc1N)I LS10552 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.30 Cc1ccc(c(c1)CN)C LS10226 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.30 Cc1ccc(c(c1)OC)Br LS10017 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.30 c1c(cnc(c1C#N)Cl)Br LS20066 [0,2,0,0,0,0|1,0,1]=4 361 B10R1.30 c1c(cnc(c1C=O)F)Br LS20854 [0,2,0,0,0,0|1,0,1]=4 362 B10R1.30 c1c(cnc(c1CO)N)Br LS20257 [0,2,0,0,0,0|1,0,0]=3 363 B10R1.30 c1cc(c(cc1Br)CCl)Cl LS10048 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.30 c1cc(c(cc1F)CBr)Br LS10492 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.30 c1cc(c(cc1F)CCl)Br LS10493 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.30 c1cc(c(cc1F)CO)Br LS10490 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.113 B(c1cc(cnc1)Br)(O)O LS11106 [0,2,0,0,0,0|2,0,0]=4 368 B10R1.113 B(c1cc(cnc1)Cl)(O)O LS11107 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.113 B(c1cc(cnc1)F)(O)O LS20225 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [0,2,0,0,0,0|1,0,1]=4 371 B10R1.113 CN(C)c1cccc(c1)O LS11214 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.113 c1c(cncc1Br)C(=O)O LS20729 [0,2,0,0,0,0|1,0,1]=4 373 B10R1.113 c1c(cncc1Cl)C(=O)O LS20728 [0,2,0,0,0,0|1,0,1]=4 374 B10R1.113 c1c(cncc1N)C(=O)O LS20110 [0,2,0,0,0,0|1,0,1]=4 375 B10R1.113 c1c(cncc1O)C(=O)O LS20727 [0,2,0,0,0,0|1,0,1]=4 376 B10R1.172 CCc1cccc(c1)C=O LS10374 [0,2,0,0,0,0|1,0,0]=3 377 B10R1.172 CCc1cccc(n1)CC LS21232 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.172 c1cc(cc(c1)C#N)CCl LS11850 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.172 c1cc(cc(c1)CCl)CCl LS10008 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.172 c1cc(cc(c1)CO)CO LS11278 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.15 CC(CN)c1ccccc1 LS10637 [0,2,0,0,0,0|1,0,0]=3 382 B10R1.15 CC(CN)c1ccccc1 LS10638 [0,2,0,0,0,0|1,0,0]=3 383 B10R1.15 CC[C@@H](c1ccccc1)N LS30125 [0,2,0,0,0,0|1,0,0]=3 384 B10R1.15 CC[C@H](c1ccccc1)N LS30175 [0,2,0,0,0,0|1,0,0]=3 385 B10R1.15 COC(=O)c1cccnc1 LS20584 [0,2,0,0,0,0|0,0,1]=3 386 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [0,2,0,0,0,0|1,0,0]=3 387 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [0,2,0,0,0,0|1,0,0]=3 388 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [0,2,0,0,0,0|1,0,1]=4 389 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [0,2,0,0,0,0|1,0,1]=4 390 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [0,2,0,0,0,0|1,0,1]=4 391 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [0,2,0,0,0,0|1,0,0]=3 392 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [0,2,0,0,0,0|1,0,0]=3 393 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [0,2,0,0,0,0|1,0,0]=3 394 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [0,2,0,0,0,0|1,0,0]=3 395 B10R1.28 CC(C)(c1ccccc1)O LS11531 [0,2,0,0,0,0|1,0,0]=3 396 B10R1.28 c1cc(cnc1)C(F)(F)F LS20274 [0,2,0,0,0,0|1,0,0]=3 397 B10R1.61 B(c1cccnc1Br)(O)O LS20193 [0,2,0,0,0,0|2,0,0]=4 398 B10R1.61 B(c1cccnc1Cl)(O)O LS11093 [0,2,0,0,0,0|2,0,0]=4 399 B10R1.61 B(c1cccnc1F)(O)O LS11099 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.61 B(c1cnccc1C)(O)O LS11105 [0,2,0,0,0,0|2,0,0]=4 401 B10R1.61 CC(=O)c1ccccc1N LS10731 [0,2,0,0,0,0|1,0,1]=4 402 B10R1.61 CC(=O)c1ccccc1O LS10607 [0,2,0,0,0,0|1,0,1]=4 403 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [0,2,0,0,0,0|0,0,1]=3 404 B10R1.61 CN(C)c1ccccc1Br LS10558 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.61 CN(C)c1ccccc1Cl LS10168 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.61 CN(C)c1ccccc1F LS10242 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [0,2,0,0,0,0|1,0,0]=3 408 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [0,2,0,0,0,0|1,0,1]=4 409 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [0,2,0,0,0,0|1,0,1]=4 410 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [0,2,0,0,0,0|1,0,1]=4 411 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] LS20185 [0,2,0,0,0,0|2,0,0]=4 412 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [0,2,0,0,0,0|1,0,1]=4 413 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [0,2,0,0,0,0|1,0,1]=4 414 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] LS20501 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [0,2,0,0,0,0|1,0,1]=4 416 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [0,2,0,0,0,0|1,0,1]=4 417 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [0,2,0,0,0,0|1,0,1]=4 418 B10R1.4 C=CCc1ccccc1O LS11683 [0,2,0,0,0,0|1,0,1]=4 419 B10R1.4 CCOc1ccccc1Br LS10370 [0,2,0,0,0,0|1,0,0]=3 420 B10R1.4 Cc1ccccc1CCO LS11237 [0,2,0,0,0,0|1,0,0]=3 421 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [0,2,0,0,0,0|1,0,0]=3 422 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [0,2,0,0,0,0|1,0,0]=3 423 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [0,2,0,0,0,0|1,0,0]=3 424 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [0,2,0,0,0,0|1,0,0]=3 425 B10R1.4 c1ccc(c(c1)CNN)F LS10154 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.17 c1ccc(cc1)CN=C=S LS11773 [0,2,0,0,0,0|1,0,1]=4 427 B10R1.17 c1ccc(cc1)C[Se]C#N LS11776 [0,2,0,0,0,0|1,0,1]=4 428 B10R1.17 c1ccc(cc1)NCCN LS10740 [0,2,0,0,0,0|1,0,0]=3 429 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [0,2,0,0,0,0|2,0,0]=4 431 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,2,0,0,0,0|1,0,1]=4 432 B10R1.20 CCc1ccccc1C=O LS00084 [0,2,0,0,0,0|1,0,0]=3 433 B10R1.20 COc1c(cccn1)C=O LS21173 [0,2,0,0,0,0|1,0,1]=4 434 B10R1.20 COc1ccccc1CCl LS10029 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.20 COc1ccccc1OC LS11385 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.20 c1ccc(c(c1)CBr)C#N LS10612 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.20 c1ccc(c(c1)CCl)C#N LS11849 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.20 c1ccc(c(c1)CCl)CCl LS10651 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.245 COc1c(cccc1Br)Br LS11344 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.245 COc1c(cccc1Br)F LS11343 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.245 COc1c(cccc1Cl)F LS10027 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.245 COc1c(cccc1F)N LS10380 [0,2,0,0,0,0|2,0,0]=4 443 B10R1.245 COc1c(cccc1I)F LS10378 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.245 COc1c(ncnc1O)O LS20087 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.245 Cc1cccc(c1CCl)C LS10100 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.245 Cc1ccnc(c1C#N)Cl LS20085 [0,2,0,0,0,0|1,0,1]=4 447 B10R1.245 Cc1ccnc(c1C#N)O LS20086 [0,2,0,0,0,0|1,0,1]=4 448 B10R1.245 c1cc(c(c(c1)Br)CO)F LS11306 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl LS11221 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl LS11271 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.245 c1cc(c(c(c1)Cl)CO)F LS11277 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.245 c1cc(c(c(c1)F)CBr)F LS10251 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.245 c1cc(c(c(c1)F)CCl)F LS11266 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.245 c1cc(c(c(c1)F)CN)F LS11224 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.245 c1cc(c(c(c1)F)CO)F LS11272 [0,2,0,0,0,0|2,0,0]=4 456 B10R1.245 c1cnc(c(c1Cl)C=O)Cl LS21171 [0,2,0,0,0,0|1,0,1]=4 457 B8R1.49 C1\C=C/CC\C=C/C1 LS41132 [0,0,1,1,0,0|1,0,1]=4 458 B10R2.7 c1cc2c(cc[nH]2)nc1 LS21035 [0,1,0,1,0,0|0,0,2]=4 459 B10R2.7 c1cc2c(nc1)NCC2 LS40389 [0,1,0,1,0,0|0,0,0]=2 460 B10R2.7 c1cc2cc[nH]c2nc1 LS21042 [0,1,0,1,0,0|0,0,2]=4 461 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [0,1,0,1,0,0|1,0,1]=4 462 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [0,1,0,1,0,0|1,0,0]=3 463 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [0,1,0,1,0,0|2,0,0]=4 464 B6R1.2 Cc1[nH]ccn1 LS20670 [1,0,0,0,1,0|1,0,0]=3 465 B6R1.2 Cc1c[nH]nc1 LS20097 [1,0,0,0,1,0|1,0,0]=3 466 B6R1.2 Cc1cc[nH]n1 LS20095 [1,0,0,0,1,0|1,0,0]=3 467 B6R1.2 Cc1cccs1 LS20640 [1,0,0,0,1,0|1,0,0]=3 468 B6R1.2 Cc1cnoc1 LS20829 [1,0,0,0,1,0|1,0,0]=3 469 B6R1.2 Cn1cccn1 LS20706 [1,0,0,0,1,0|1,0,0]=3 470 B6R1.2 Cn1ccnc1 LS20202 [1,0,0,0,1,0|1,0,0]=3 471 B6R1.2 Cn1cnnc1 LS20844 [1,0,0,0,1,0|2,0,0]=4 472 B6R1.2 c1c(nc[nH]1)Br LS20192 [1,0,0,0,1,0|2,0,0]=4 473 B6R1.2 c1c(ncs1)Cl LS21055 [1,0,0,0,1,0|2,0,0]=4 474 B6R1.2 c1c[nH]nc1N LS20237 [1,0,0,0,1,0|2,0,0]=4 475 B6R1.2 c1cc(sc1)Br LS20644 [1,0,0,0,1,0|2,0,0]=4 476 B6R1.2 c1cc(sc1)Cl LS21132 [1,0,0,0,1,0|2,0,0]=4 477 B6R1.2 c1cc(sc1)S LS21100 [1,0,0,0,1,0|2,0,0]=4 478 B6R1.2 c1cnsc1N LS20872 [1,0,0,0,1,0|2,0,0]=4 479 B6R1.2 c1cocc1Br LS20289 [1,0,0,0,1,0|2,0,0]=4 480 B6R1.2 c1conc1N LS20282 [1,0,0,0,1,0|2,0,0]=4 481 B6R1.2 c1cscc1Br LS20645 [1,0,0,0,1,0|2,0,0]=4