0 B6R1.2 C1CNCC1=O LS20898 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 Cc1[nH]ccn1 LS20670 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 Cc1c[nH]nc1 LS20097 [0,0,0,0,0,0|0,0,0]=0 4 B6R1.2 Cc1cc[nH]n1 LS20095 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 Cc1cccs1 LS20640 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 Cc1cnoc1 LS20829 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.2 Cn1cccn1 LS20706 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 Cn1ccnc1 LS20202 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 Cn1cnnc1 LS20844 [0,0,0,0,0,0|1,0,1]=2 10 B6R1.2 c1c(nc[nH]1)Br LS20192 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 c1c(ncs1)Cl LS21055 [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 c1c(snn1)N LS20079 [0,0,0,0,0,0|2,0,1]=3 13 B6R1.2 c1c[nH]nc1N LS20237 [0,0,0,0,0,0|3,0,0]=3 14 B6R1.2 c1cc(sc1)Br LS20644 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 c1cc(sc1)Cl LS21132 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 c1cc(sc1)S LS21100 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 c1cnsc1N LS20872 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 c1cocc1Br LS20289 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 c1conc1N LS20282 [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 c1cscc1Br LS20645 [0,0,0,0,0,0|3,0,0]=3 21 B6R1.2 c1nc([nH]n1)Br LS20203 [0,0,0,0,0,0|4,0,0]=4 22 B6R1.2 c1nc(sn1)N LS20176 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 c1nnc(s1)Br LS21095 [0,0,0,0,0,0|4,0,0]=4 24 B6R1.2 c1nncn1N LS40427 [0,0,0,0,0,0|2,0,1]=3 25 B5R1.1 C1C=CCN1 LS20566 [1,0,0,0,0,0|1,0,1]=3 26 B5R1.1 c1c[nH]nc1 LS21032 [1,0,0,0,0,0|0,0,0]=1 27 B5R1.1 c1cnoc1 LS21145 [1,0,0,0,0,0|1,0,0]=2 28 B5R1.1 c1cnsc1 LS21251 [1,0,0,0,0,0|1,0,0]=2 29 B7R1.1 C=Cn1ccnc1 LS21038 [0,1,0,0,0,0|2,0,1]=4 30 B7R1.1 c1c(nc[nH]1)C=O LS20992 [0,1,0,0,0,0|2,0,1]=4 31 B7R1.1 c1c(nc[nH]1)CO LS20464 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.1 c1c(ncs1)CCl LS21096 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.1 c1c(ncs1)CN LS21063 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.1 c1cc(sc1)CO LS20642 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.1 c1cn(cn1)CO LS20270 [0,1,0,0,0,0|2,0,0]=3 36 B7R1.1 c1cscc1C=O LS20646 [0,1,0,0,0,0|2,0,1]=4 37 B7R1.2 Cc1cc(cs1)Br LS20656 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.2 Cc1cc(no1)N LS21146 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.2 Cc1ccc(s1)Br LS20655 [0,1,0,0,0,0|3,0,0]=4 40 B7R1.2 Cc1ccc(s1)C LS20641 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.2 Cc1ccc(s1)Cl LS20653 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.2 Cc1ccn(n1)C LS20249 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.2 Cc1cnc(s1)N LS20937 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.2 Cn1ccc(n1)N LS20251 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.2 c1c(n[nH]c1O)N LS20240 [0,1,0,0,0,0|3,0,0]=4 46 B7R1.2 c1c(sc(n1)Br)Br LS21079 [0,1,0,0,0,0|3,0,0]=4 47 B7R1.2 c1c(sc(n1)Br)N LS21068 [0,1,0,0,0,0|3,0,0]=4 48 B7R1.2 c1c(sc(n1)N)Br LS21053 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.4 Cc1c(nc[nH]1)C LS20271 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.4 Cc1ccsc1Br LS20654 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.4 Cc1ccsc1Cl LS20652 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.4 Cn1c(ccn1)N LS20177 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.4 c1(c(nsn1)Cl)Cl LS20888 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.3 c1c(cncn1)Br LS21249 [0,0,0,0,0,1|1,0,1]=3 55 B7R1.3 c1c(cncn1)Cl LS20622 [0,0,0,0,0,1|1,0,1]=3 56 B7R1.3 c1c(cncn1)F LS20621 [0,0,0,0,0,1|1,0,1]=3 57 B7R1.3 c1cc(cnc1)Br LS20426 [0,0,0,0,0,1|2,0,0]=3 58 B7R1.3 c1cc(cnc1)F LS20779 [0,0,0,0,0,1|2,0,0]=3 59 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [0,0,0,0,0,1|3,0,0]=4 60 B7R1.3 c1ccnc(c1)Br LS20874 [0,0,0,0,0,1|3,0,0]=4 61 B7R1.3 c1ccnc(c1)F LS20778 [0,0,0,0,0,1|3,0,0]=4 62 B7R1.3 c1ccnc(c1)N LS20582 [0,0,0,0,0,1|3,0,0]=4 63 B7R1.3 c1cnc(cn1)Cl LS20940 [0,0,0,0,0,1|2,0,0]=3 64 B7R1.3 c1cnccc1F LS40545 [0,0,0,0,0,1|2,0,0]=3 65 B7R1.3 c1cnccc1N LS20499 [0,0,0,0,0,1|2,0,0]=3 66 B7R1.3 c1cnccc1O LS21099 [0,0,0,0,0,1|2,0,0]=3 67 B4R0.1 CC(=C)CO LS40522 [1,0,1,0,0,0|1,0,1]=4 68 B4R0.1 CC(=NO)C LS00155 [1,0,1,0,0,0|1,0,1]=4 69 B6R0.3 CC(=C)C(=O)NC LS41593 [0,1,1,0,0,0|1,0,0]=3 70 B8R1.2 CNc1cccnc1 LS20470 [0,1,0,0,0,1|1,0,0]=3 71 B8R1.2 c1cc(cnc1)C=O LS20485 [0,1,0,0,0,1|1,0,1]=4 72 B8R1.2 c1ccc(cc1)CO LS41488 [0,1,0,0,0,1|2,0,0]=4 73 B8R1.2 c1cnc(cn1)CN LS20127 [0,1,0,0,0,1|1,0,0]=3 74 B8R1.2 c1cnc(cn1)CN LS20128 [0,1,0,0,0,1|1,0,0]=3 75 B8R1.2 c1cnccc1C=O LS20943 [0,1,0,0,0,1|1,0,1]=4 76 B8R1.2 c1cnccc1CN LS20857 [0,1,0,0,0,1|1,0,0]=3 77 B8R1.2 c1cnccc1NN LS20045 [0,1,0,0,0,1|2,0,0]=4 78 B8R1.3 Cc1ccc(cc1)Cl LS11416 [0,1,0,0,0,1|2,0,0]=4 79 B8R1.3 Cc1ccc(cn1)Br LS20399 [0,1,0,0,0,1|2,0,0]=4 80 B8R1.3 Cc1ccc(nc1)Br LS20538 [0,1,0,0,0,1|1,0,0]=3 81 B8R1.3 Cc1ccc(nc1)Cl LS20543 [0,1,0,0,0,1|1,0,0]=3 82 B8R1.3 Cc1ccc(nn1)Cl LS21118 [0,1,0,0,0,1|2,0,0]=4 83 B8R1.3 Cc1cnc(cn1)N LS20063 [0,1,0,0,0,1|1,0,0]=3 84 B8R1.3 c1c(cnc(n1)Br)Br LS20480 [0,1,0,0,0,1|1,0,1]=4 85 B8R1.3 c1c(cnc(n1)Cl)F LS20473 [0,1,0,0,0,1|1,0,1]=4 86 B8R1.3 c1c(cnc(n1)Cl)N LS20481 [0,1,0,0,0,1|1,0,1]=4 87 B8R1.3 c1c(cnc(n1)F)Br LS21159 [0,1,0,0,0,1|1,0,1]=4 88 B8R1.3 c1c(cnc(n1)N)Cl LS21227 [0,1,0,0,0,1|1,0,1]=4 89 B8R1.3 c1c(cnc(n1)O)Br LS21235 [0,1,0,0,0,1|1,0,1]=4 90 B8R1.3 c1c(ncc(n1)Br)N LS20288 [0,1,0,0,0,1|2,0,0]=4 91 B8R1.3 c1cc(=O)[nH]cc1Br LS21018 [0,1,0,0,0,1|2,0,0]=4 92 B8R1.3 c1cc(ncc1Br)Br LS21029 [0,1,0,0,0,1|2,0,0]=4 93 B8R1.3 c1cc(ncc1Br)Cl LS20547 [0,1,0,0,0,1|2,0,0]=4 94 B8R1.3 c1cc(ncc1Br)F LS20408 [0,1,0,0,0,1|2,0,0]=4 95 B8R1.3 c1cc(ncc1Br)I LS20184 [0,1,0,0,0,1|2,0,0]=4 96 B8R1.3 c1cc(ncc1Cl)Br LS20546 [0,1,0,0,0,1|2,0,0]=4 97 B8R1.3 c1cc(ncc1Cl)Cl LS20534 [0,1,0,0,0,1|2,0,0]=4 98 B8R1.3 c1cc(ncc1Cl)F LS20537 [0,1,0,0,0,1|2,0,0]=4 99 B8R1.3 c1cc(ncc1F)Br LS20585 [0,1,0,0,0,1|2,0,0]=4 100 B8R1.3 c1cc(ncc1F)F LS20951 [0,1,0,0,0,1|2,0,0]=4 101 B8R1.3 c1cc(ncc1F)N LS20484 [0,1,0,0,0,1|2,0,0]=4 102 B8R1.3 c1cc(ncc1F)O LS20722 [0,1,0,0,0,1|2,0,0]=4 103 B8R1.3 c1cc(ncc1I)Cl LS20455 [0,1,0,0,0,1|2,0,0]=4 104 B8R1.3 c1cc(ncc1I)F LS20342 [0,1,0,0,0,1|2,0,0]=4 105 B8R1.3 c1cc(ncc1I)N LS20442 [0,1,0,0,0,1|2,0,0]=4 106 B8R1.3 c1cc(ncc1N)Cl LS20443 [0,1,0,0,0,1|2,0,0]=4 107 B8R1.3 c1cc(ncc1N)F LS20550 [0,1,0,0,0,1|2,0,0]=4 108 B8R1.3 c1cc(ncc1N)O LS20334 [0,1,0,0,0,1|2,0,0]=4 109 B8R1.3 c1cc(ncc1O)F LS20343 [0,1,0,0,0,1|2,0,0]=4 110 B8R1.3 c1cc(ncc1O)N LS20718 [0,1,0,0,0,1|2,0,0]=4 111 B8R1.4 Cc1cc(cnc1)Br LS20401 [0,1,0,0,0,1|1,0,0]=3 112 B8R1.4 Cc1cc(cnc1)C LS41253 [0,1,0,0,0,1|1,0,0]=3 113 B8R1.4 Cc1cc(ncn1)Cl LS20096 [0,1,0,0,0,1|1,0,0]=3 114 B8R1.4 Cc1cccc(n1)Br LS20561 [0,1,0,0,0,1|2,0,0]=4 115 B8R1.4 Cc1cccc(n1)Cl LS20527 [0,1,0,0,0,1|2,0,0]=4 116 B8R1.4 Cc1ccnc(c1)Br LS20539 [0,1,0,0,0,1|1,0,0]=3 117 B8R1.4 Cc1ccnc(c1)Cl LS20535 [0,1,0,0,0,1|1,0,0]=3 118 B8R1.4 Cc1ccnc(c1)F LS20532 [0,1,0,0,0,1|1,0,0]=3 119 B8R1.4 Cc1ccnc(n1)Cl LS20314 [0,1,0,0,0,1|1,0,0]=3 120 B8R1.4 Cc1ccnc(n1)O LS20077 [0,1,0,0,0,1|1,0,0]=3 121 B8R1.4 Cc1nccc(n1)Cl LS20043 [0,1,0,0,0,1|2,0,0]=4 122 B8R1.4 c1c(cncc1Br)Br LS20981 [0,1,0,0,0,1|2,0,0]=4 123 B8R1.4 c1c(cncc1Br)N LS20949 [0,1,0,0,0,1|2,0,0]=4 124 B8R1.4 c1c(cncc1Cl)Cl LS20213 [0,1,0,0,0,1|2,0,0]=4 125 B8R1.4 c1c(cncc1F)O LS20013 [0,1,0,0,0,1|2,0,0]=4 126 B8R1.4 c1c(cnnc1Cl)Cl LS21226 [0,1,0,0,0,1|1,0,1]=4 127 B8R1.4 c1c(ncnc1Cl)Cl LS20313 [0,1,0,0,0,1|2,0,0]=4 128 B8R1.4 c1c(ncnc1Cl)N LS20309 [0,1,0,0,0,1|2,0,0]=4 129 B8R1.4 c1c[nH]c(=S)[nH]c1=O LS40673 [0,1,0,0,0,1|2,0,0]=4 130 B8R1.4 c1cnc(cc1Br)Br LS20383 [0,1,0,0,0,1|2,0,0]=4 131 B8R1.4 c1cnc(cc1Br)Cl LS20559 [0,1,0,0,0,1|2,0,0]=4 132 B8R1.4 c1cnc(cc1Br)F LS20514 [0,1,0,0,0,1|2,0,0]=4 133 B8R1.4 c1cnc(cc1Br)N LS20124 [0,1,0,0,0,1|2,0,0]=4 134 B8R1.4 c1cnc(cc1Br)O LS20336 [0,1,0,0,0,1|2,0,0]=4 135 B8R1.4 c1cnc(cc1Cl)Cl LS21157 [0,1,0,0,0,1|2,0,0]=4 136 B8R1.4 c1cnc(cc1Cl)N LS20373 [0,1,0,0,0,1|2,0,0]=4 137 B8R1.4 c1cnc(cc1F)Cl LS20357 [0,1,0,0,0,1|2,0,0]=4 138 B8R1.4 c1cnc(cc1I)Br LS20183 [0,1,0,0,0,1|2,0,0]=4 139 B8R1.4 c1cnc(cc1I)Cl LS20424 [0,1,0,0,0,1|2,0,0]=4 140 B8R1.4 c1cnc(cc1I)F LS20204 [0,1,0,0,0,1|2,0,0]=4 141 B8R1.4 c1cnc(cc1N)Br LS20188 [0,1,0,0,0,1|2,0,0]=4 142 B8R1.4 c1cnc(cc1N)Cl LS20509 [0,1,0,0,0,1|2,0,0]=4 143 B8R1.4 c1cnc(cc1O)Cl LS20425 [0,1,0,0,0,1|2,0,0]=4 144 B8R1.4 c1cnc(cc1O)N LS20319 [0,1,0,0,0,1|2,0,0]=4 145 B8R1.4 c1cnc(nc1Cl)Cl LS20619 [0,1,0,0,0,1|2,0,0]=4 146 B8R1.5 Cc1c(cccn1)Br LS20529 [0,1,0,0,0,1|2,0,0]=4 147 B8R1.5 Cc1c(cccn1)F LS00100 [0,1,0,0,0,1|2,0,0]=4 148 B8R1.5 Cc1c(cccn1)O LS20321 [0,1,0,0,0,1|2,0,0]=4 149 B8R1.5 Cc1c(cncn1)Br LS20023 [0,1,0,0,0,1|1,0,0]=3 150 B8R1.5 Cc1c(cncn1)Cl LS21219 [0,1,0,0,0,1|1,0,0]=3 151 B8R1.5 Cc1c(nccn1)Cl LS20451 [0,1,0,0,0,1|1,0,0]=3 152 B8R1.5 Cc1ccccc1Cl LS11417 [0,1,0,0,0,1|2,0,0]=4 153 B8R1.5 Cc1cccnc1Br LS20246 [0,1,0,0,0,1|1,0,0]=3 154 B8R1.5 Cc1cccnc1F LS20403 [0,1,0,0,0,1|1,0,0]=3 155 B8R1.5 Cc1cccnc1N LS20579 [0,1,0,0,0,1|1,0,0]=3 156 B8R1.5 Cc1cccnc1O LS20286 [0,1,0,0,0,1|1,0,0]=3 157 B8R1.5 Cc1ccncc1Br LS20222 [0,1,0,0,0,1|1,0,0]=3 158 B8R1.5 Cc1ccncc1F LS20260 [0,1,0,0,0,1|1,0,0]=3 159 B8R1.5 Cc1ccncc1N LS20500 [0,1,0,0,0,1|1,0,0]=3 160 B8R1.5 Cc1cnccc1Br LS20316 [0,1,0,0,0,1|1,0,0]=3 161 B8R1.5 Cc1cnccc1Cl LS20243 [0,1,0,0,0,1|1,0,0]=3 162 B8R1.5 Cc1cncnc1Cl LS20953 [0,1,0,0,0,1|0,0,1]=3 163 B8R1.5 c1c(c(ncn1)Br)F LS21214 [0,1,0,0,0,1|1,0,1]=4 164 B8R1.5 c1c(c(ncn1)Br)N LS21199 [0,1,0,0,0,1|1,0,1]=4 165 B8R1.5 c1c(c(ncn1)Cl)F LS20617 [0,1,0,0,0,1|1,0,1]=4 166 B8R1.5 c1cc(c(nc1)Br)Br LS20191 [0,1,0,0,0,1|2,0,0]=4 167 B8R1.5 c1cc(c(nc1)Br)F LS20948 [0,1,0,0,0,1|2,0,0]=4 168 B8R1.5 c1cc(c(nc1)Br)N LS20186 [0,1,0,0,0,1|2,0,0]=4 169 B8R1.5 c1cc(c(nc1)Cl)Cl LS20542 [0,1,0,0,0,1|2,0,0]=4 170 B8R1.5 c1cc(c(nc1)Cl)F LS20427 [0,1,0,0,0,1|2,0,0]=4 171 B8R1.5 c1cc(c(nc1)Cl)I LS20536 [0,1,0,0,0,1|2,0,0]=4 172 B8R1.5 c1cc(c(nc1)F)Br LS20414 [0,1,0,0,0,1|2,0,0]=4 173 B8R1.5 c1cc(c(nc1)F)F LS20846 [0,1,0,0,0,1|2,0,0]=4 174 B8R1.5 c1cc(c(nc1)I)N LS20187 [0,1,0,0,0,1|2,0,0]=4 175 B8R1.5 c1cc(c(nc1)N)Br LS20925 [0,1,0,0,0,1|2,0,0]=4 176 B8R1.5 c1cc(c(nc1)N)F LS20418 [0,1,0,0,0,1|2,0,0]=4 177 B8R1.5 c1cc(c(nc1)N)N LS20494 [0,1,0,0,0,1|2,0,0]=4 178 B8R1.5 c1cnc(c(n1)N)Cl LS21181 [0,1,0,0,0,1|2,0,0]=4 179 B8R1.5 c1cncc(c1Br)Cl LS20493 [0,1,0,0,0,1|2,0,0]=4 180 B8R1.5 c1cncc(c1Cl)Cl LS20322 [0,1,0,0,0,1|2,0,0]=4 181 B8R1.5 c1cncc(c1N)F LS20317 [0,1,0,0,0,1|2,0,0]=4 182 B8R1.5 c1cncc(c1N)N LS00018 [0,1,0,0,0,1|2,0,0]=4 183 B8R1.7 CC(=O)c1c[nH]cn1 LS20519 [0,2,0,0,0,0|2,0,0]=4 184 B8R1.7 CC(=O)c1ccsc1 LS20391 [0,2,0,0,0,0|2,0,0]=4 185 B8R1.7 CC(C)c1c[nH]cn1 LS21206 [0,2,0,0,0,0|2,0,0]=4 186 B8R1.7 c1c(cn[nH]1)C(=O)O LS21130 [0,2,0,0,0,0|0,0,1]=3 187 B8R1.7 c1c(cn[nH]1)[N+](=O)[O-] LS20089 [0,2,0,0,0,0|1,0,0]=3 188 B8R1.7 c1c(con1)C(=O)O LS20144 [0,2,0,0,0,0|1,0,1]=4 189 B8R1.8 c1c(cn[nH]1)CCCl LS20059 [0,2,0,0,0,0|0,0,0]=2 190 B8R1.8 c1cn(cn1)CC#N LS20233 [0,2,0,0,0,0|2,0,0]=4 191 B8R1.8 c1cn(cn1)CCN LS20098 [0,2,0,0,0,0|2,0,0]=4 192 B8R1.11 Cc1ccsc1C=O LS20658 [0,2,0,0,0,0|2,0,0]=4 193 B8R1.11 Cn1ccnc1C#N LS21220 [0,2,0,0,0,0|2,0,0]=4 194 B8R1.11 Cn1ccnc1CO LS20254 [0,2,0,0,0,0|2,0,0]=4 195 B8R1.18 Cc1c(oc(n1)C)C LS20281 [0,2,0,0,0,0|2,0,0]=4 196 B8R1.18 Cc1cc(=O)n([nH]1)C LS20878 [0,2,0,0,0,0|2,0,0]=4 197 B8R1.50 Cc1c(c(on1)C)I LS40341 [0,2,0,0,0,0|2,0,0]=4 198 B6R1.1 c1ccncc1 LS40760 [0,0,1,1,0,0|1,0,1]=4 199 B6R1.1 c1cnccn1 LS20037 [0,0,1,1,0,0|2,0,0]=4 200 B6R1.1 c1cncnc1 LS20614 [0,0,1,1,0,0|2,0,0]=4 201 B4R1.2 CC1=CC1 LS00107 [0,0,0,0,2,0|0,0,1]=3