0 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CCO\C=C\C(=O)O LS40208 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.4 C=CCCC(=O)O LS41473 [1,0,0,0,0,0|0,0,2]=3 3 B8R0.28 CN(C)C\C=C\C(=O)O LS41142 [0,1,0,0,0,0|1,0,1]=3 4 B8R1.1 C1=CC(=O)O[C@@H]1CO LS30091 [0,0,0,1,0,0|1,0,2]=4 5 B8R1.1 Cc1ccc(s1)C=O LS20392 [0,0,0,1,0,0|2,1,0]=4 6 B8R1.4 Cc1cc(cnc1)Br LS20401 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.4 Cc1cc(cnc1)C LS41253 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.4 Cc1cccc(n1)Br LS20561 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.4 Cc1cccc(n1)Cl LS20527 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.4 Cc1ccnc(c1)Br LS20539 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.4 Cc1ccnc(c1)Cl LS20535 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.4 Cc1ccnc(c1)F LS20532 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.4 Cc1ccnc(n1)Cl LS20314 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.4 Cc1ccnc(n1)O LS20077 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.4 Cc1nccc(n1)Cl LS20043 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.4 c1c(cncc1F)O LS20013 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.4 c1c[nH]c(=S)[nH]c1=O LS40673 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.4 c1cc(cc(c1)Br)N LS10546 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.4 c1cc(cc(c1)F)F LS10472 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.4 c1cc(cc(c1)F)O LS11397 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.4 c1cc(cc(c1)I)Br LS11202 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.4 c1cc(cc(c1)I)N LS10554 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.4 c1cc(cc(c1)S)O LS11830 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.4 c1cc(nc(c1)Br)Cl LS20266 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.4 c1cc(nc(c1)Br)F LS20210 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.4 c1cc(nc(c1)Br)N LS21036 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.4 c1cc(nc(c1)Cl)N LS20252 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.4 c1cc(nc(c1)Cl)O LS20221 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.4 c1cc(nc(c1)F)F LS20009 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.4 c1cnc(cc1Br)O LS20336 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 c1cnc(cc1O)Cl LS20425 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.4 c1cnc(cc1O)N LS20319 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.7 B(c1ccco1)(O)O LS11074 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.7 B(c1cccs1)(O)O LS00104 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.7 C1C=CCC1C(=O)O LS41644 [0,0,0,1,0,0|0,0,2]=3 36 B8R1.7 CC(=O)c1c[nH]cn1 LS20519 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.7 CC(=O)c1cccs1 LS20643 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.7 CC(=O)c1ccsc1 LS20391 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.7 c1c(cn[nH]1)C(=O)O LS21130 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.7 c1c(con1)C(=O)O LS20144 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.7 c1c(nco1)C(=O)O LS41294 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.7 c1c(ncs1)C(=O)N LS21083 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.7 c1c(ncs1)C(=O)O LS21061 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [0,0,0,1,0,0|1,0,0]=2 46 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.7 c1cc(sc1)C(=O)O LS20648 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [0,0,0,1,0,0|1,0,1]=3 49 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.7 c1cnoc1C(=O)O LS20280 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.7 c1conc1C(=O)O LS20146 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.7 c1cscc1C(=O)Cl LS20651 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.7 c1cscc1C(=O)O LS20647 [0,0,0,1,0,0|1,0,1]=3 54 B5R0.1 CC#CC(=O)O LS40078 [2,0,0,0,0,0|0,0,2]=4 55 B7R0.2 COC(=O)CC(=O)O LS41603 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.6 CC(=O)CCC(=O)O LS41171 [1,1,0,0,0,0|0,0,2]=4 57 B9R0.5 CCO\C=C\C(=O)OCC LS40219 [0,2,0,0,0,0|1,0,1]=4 58 B7R1.2 Cc1ccc(s1)Br LS20655 [1,0,0,1,0,0|1,1,0]=4 59 B7R1.2 Cc1ccc(s1)C LS20641 [1,0,0,1,0,0|1,1,0]=4 60 B7R1.2 Cc1ccc(s1)Cl LS20653 [1,0,0,1,0,0|1,1,0]=4 61 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [1,0,0,1,0,0|1,0,0]=3 62 B7R1.3 c1ccnc(c1)Br LS20874 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.3 c1ccnc(c1)F LS20778 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.3 c1ccnc(c1)N LS20582 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.3 c1cnccc1O LS21099 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.1 c1c(nc[nH]1)C=O LS20992 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.1 c1c(ncs1)C=O LS21128 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.1 c1cc([nH]c1)C=O LS00119 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.1 c1cc(sc1)C=O LS40350 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.1 c1cc(sc1)CO LS20642 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.1 c1cnc([nH]1)C=O LS20564 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.1 c1csc(n1)C=O LS20580 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.1 c1cscc1C=O LS20646 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.4 Cc1ccsc1Br LS20654 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.4 Cc1ccsc1Cl LS20652 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.13 c1c(nc[nH]1)CC(=O)O LS20933 [0,1,0,1,0,0|1,0,1]=4 77 B9R1.13 c1cc(oc1)CC(=O)O LS40055 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.13 c1cc(sc1)CC(=O)Cl LS21114 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.13 c1cc(sc1)CC(=O)O LS20649 [0,1,0,1,0,0|1,0,0]=3 80 B9R1.34 Cc1cc(cc(=O)[nH]1)O LS40012 [0,1,0,1,0,0|1,0,0]=3 81 B9R1.34 Cc1cc(cc(=O)o1)O LS40924 [0,1,0,1,0,0|0,0,0]=2 82 B9R1.34 Cc1cc(cc(c1)Br)O LS10313 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.34 Cc1cc(cc(c1)I)C LS11748 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.34 Cc1cc(nc(c1)Cl)C LS20404 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.34 Cc1cc(nc(c1)N)C LS20569 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.34 c1c(cc(cc1Cl)Cl)O LS10337 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.34 c1c(cc(cc1F)F)O LS10458 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.41 B(c1c(ccs1)C)(O)O LS11079 [0,1,0,1,0,0|1,0,1]=4 89 B9R1.41 Cc1c(con1)C(=O)O LS20143 [0,1,0,1,0,0|1,0,0]=3 90 B9R1.41 Cc1ccsc1C(=O)O LS20659 [0,1,0,1,0,0|0,0,0]=2 91 B9R1.41 Cn1c(ccn1)C(=O)O LS20083 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.41 c1csc(c1Br)C(=O)O LS20750 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.41 c1csc(c1C(=O)O)Br LS20833 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.41 c1csc(c1Cl)C(=O)O LS20749 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.41 c1nc(c(s1)Br)C(=O)O LS21078 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.1 COc1ccc(cc1)O LS10474 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.2 CNc1cccc(c1)Cl LS10187 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.2 COc1cccc(n1)Cl LS20709 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.2 COc1cccc(n1)N LS20232 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.2 Cc1cccc(c1)C=O LS11853 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.2 Cc1cccc(c1)CBr LS11263 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.2 Cc1cccc(c1)CCl LS11215 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.2 Cc1cccc(c1)CN LS11219 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.2 Cc1cccc(n1)CO LS20207 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.2 c1cc(cc(c1)F)CO LS11387 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.2 c1cc(nc(c1)Cl)C=O LS20219 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.3 Cc1c(cccc1F)O LS11582 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.3 Cc1c(cccc1O)N LS11805 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.3 Cc1c(cccc1O)O LS10121 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.3 Cc1cccc(c1C)Br LS11762 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.3 Cc1cccc(c1F)O LS10317 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.3 Cc1cccc(c1I)F LS10535 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.3 Cc1cccc(c1N)Cl LS10715 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.3 Cc1cccc(c1N)F LS10282 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.3 Cc1cccc(c1O)Cl LS10669 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.3 c1cc(c(c(c1)Br)Cl)O LS10087 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.3 c1cc(c(c(c1)Br)O)Br LS11453 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.3 c1cc(c(c(c1)Cl)Cl)O LS11389 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.3 c1cc(c(c(c1)Cl)F)O LS10395 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.3 c1cc(c(c(c1)Cl)O)Cl LS10077 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.3 c1cc(c(c(c1)Cl)O)F LS10396 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.3 c1cc(c(c(c1)F)Cl)O LS10193 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.3 c1cc(c(c(c1)F)O)F LS11403 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.3 c1cc(c(c(c1)F)O)O LS10021 [0,1,0,1,0,0|1,0,1]=4 129 B9R1.3 c1cc(c(c(c1)I)O)O LS10698 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.3 c1cc(c(c(c1)O)F)O LS10311 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.3 c1cc(c(c(c1)O)N)O LS11761 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.3 c1cc(c(c(c1)O)N)O LS11782 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.11 COC(=O)C1=CCCC1 LS20758 [0,1,0,1,0,0|0,0,2]=4 134 B9R1.11 COC(=O)c1c[nH]cn1 LS20049 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.11 COC(=O)c1ccc[nH]1 LS20248 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.21 c1cc(oc1C=O)C=O LS20855 [0,1,0,1,0,0|1,0,0]=3 137 B9R1.79 COC(=O)C=C1COC1 LS41144 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.6 C1C[C@@H](CC=C1)C(=O)O LS00083 [0,1,0,1,0,0|0,0,2]=4 139 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,1,0,1,0,0|1,0,1]=4 140 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,1,0,1,0,0|0,0,1]=3 141 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [0,1,0,1,0,0|1,0,0]=3 143 B9R1.6 c1cncnc1C(=O)O LS20389 [0,1,0,1,0,0|1,0,0]=3 144 B9R1.35 B(c1ccc(o1)C)(O)O LS11076 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.35 Cc1cc([nH]n1)C(=O)O LS20817 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.35 Cc1cc(n[nH]1)C(=O)O LS20295 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [0,1,0,1,0,0|0,0,0]=2 148 B9R1.35 Cc1ncc(s1)C(=O)O LS21069 [0,1,0,1,0,0|1,0,0]=3 149 B9R1.35 c1c(csc1C(=O)O)Br LS20661 [0,1,0,1,0,0|1,0,0]=3 150 B9R1.35 c1c(sc(n1)Br)C(=O)O LS21091 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [0,1,0,1,0,0|1,0,0]=3 152 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [0,1,0,1,0,0|1,0,0]=3 153 B9R1.69 Cc1c(ccc(n1)Br)Br LS20405 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.69 Cc1c(ccc(n1)Br)F LS20735 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.69 Cc1c(ccc(n1)Br)N LS20743 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.69 Cc1c(ccc(n1)Cl)Br LS20733 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.69 Cc1c(ccc(n1)Cl)F LS20355 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.69 Cc1c(ccc(n1)Cl)N LS20510 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.69 Cc1c(ccc(n1)N)Br LS20737 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.69 Cc1c(ccc(n1)N)F LS20851 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.69 Cc1c(ccc(n1)O)Br LS20736 [0,1,0,1,0,0|1,0,0]=3 162 B9R1.69 Cc1cc(ccc1Br)F LS10433 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.69 Cc1cc(ccc1Br)O LS10569 [0,1,0,1,0,0|1,0,0]=3 164 B9R1.69 Cc1cc(ccc1Cl)I LS10339 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.69 Cc1cc(ccc1F)N LS10454 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.69 Cc1cc(ccc1O)Br LS10229 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.69 Cc1cc(ccc1O)Cl LS10662 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.69 Cc1cc(cnc1F)O LS20344 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.69 Cc1ccc(c(c1)Br)F LS10435 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.69 Cc1ccc(c(c1)Br)O LS11738 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.69 Cc1ccc(c(c1)Cl)C LS11676 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.69 Cc1ccc(c(c1)F)Br LS10432 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.69 Cc1ccc(c(c1)F)F LS10430 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.69 Cc1ccc(c(c1)N)Br LS10019 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.69 Cc1ccc(c(c1)N)I LS10064 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.69 Cc1ccc(c(c1)O)Br LS11750 [0,1,0,1,0,0|1,0,0]=3 177 B9R1.69 Cc1ccc(c(n1)Br)F LS20415 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.69 Cc1ccc(c(n1)Cl)Br LS20497 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.69 Cc1ccc(c(n1)Cl)N LS20511 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.69 Cc1ccc(c(n1)F)Br LS20349 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.69 Cc1ccc(c(n1)N)Br LS20734 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.69 Cc1ccc(c(n1)N)I LS21037 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.69 c1cc(c(cc1Br)O)Cl LS10495 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.69 c1cc(c(cc1Br)O)F LS10459 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.69 c1cc(c(cc1Br)O)N LS10644 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.69 c1cc(c(cc1Cl)O)I LS10194 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.69 c1cc(c(cc1F)O)Br LS10489 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.69 c1cc(c(cc1F)O)Cl LS10485 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.69 c1cc(c(cc1N)O)Cl LS10724 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.69 c1cc(c(cc1O)Br)Cl LS10344 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.69 c1cc(c(cc1O)Br)F LS10460 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.69 c1cc(c(cc1O)Br)O LS11757 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.69 c1cc(c(cc1O)Cl)Br LS10343 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.69 c1cc(c(cc1O)Cl)N LS11520 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.69 c1cc(c(cc1O)F)N LS00146 [0,1,0,1,0,0|2,0,0]=4 196 B9R1.69 c1cc(c(cc1O)F)O LS00052 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.69 c1cc(c(cc1O)N)F LS10007 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.69 c1cc(c(cc1O)O)Br LS10165 [0,1,0,1,0,0|2,0,0]=4