0 B9R1.41 Cc1c(con1)C(=O)O LS20143 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.41 Cc1ccsc1C(=O)O LS20659 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.41 Cn1c(ccn1)C(=O)O LS20083 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.41 c1csc(c1Br)C(=O)O LS20750 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.41 c1csc(c1C(=O)O)Br LS20833 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.41 c1csc(c1Cl)C(=O)O LS20749 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.7 CC(=O)c1c[nH]cn1 LS20519 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.7 CC(=O)c1cccs1 LS20643 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.7 CC(=O)c1ccsc1 LS20391 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.7 c1c(nco1)C(=O)O LS41294 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.7 c1c(ncs1)C(=O)N LS21083 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.7 c1c(ncs1)C(=O)O LS21061 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [1,0,0,0,0,0|1,0,0]=2 14 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 c1cc(sc1)C(=O)O LS20648 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.7 c1cnoc1C(=O)O LS20280 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.7 c1conc1C(=O)O LS20146 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.7 c1cscc1C(=O)Cl LS20651 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.7 c1cscc1C(=O)O LS20647 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.11 Cc1ccsc1C=O LS20658 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.11 Cn1c(ccn1)C=O LS20046 [1,0,0,0,0,0|1,0,0]=2 24 B8R1.11 Cn1ccnc1C#N LS21220 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.11 Cn1ccnc1CO LS20254 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.59 Cc1cc(n(n1)C)C(=O)O LS20296 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.65 Cn1ccnc1S(=O)(=O)Cl LS40321 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.149 COC(=O)c1c(ccs1)F LS20067 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.149 Cc1c(ccs1)C(=O)OC LS20060 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.149 Cn1cncc1C(=O)OC LS20172 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.192 Cn1c(c(cn1)Br)C(=O)O LS40471 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.61 CC(=O)c1ccccc1N LS10731 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.61 CC(=O)c1ccccc1O LS10607 [0,0,0,0,0,1|2,0,0]=3 34 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [0,0,0,0,0,1|2,0,0]=3 35 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [0,0,0,0,0,1|2,0,0]=3 36 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [0,0,0,0,0,1|2,0,0]=3 37 B10R1.61 Cc1c(cncn1)C(=O)O LS20826 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.61 Cc1ccccc1C(=O)O LS10119 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.61 Cc1cccnc1C(=O)O LS20983 [0,0,0,0,0,1|2,0,0]=3 40 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [0,0,0,0,0,1|2,0,0]=3 57 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [0,0,0,0,0,1|2,0,0]=3 58 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.113 c1cc(nc(c1)Br)C(=O)O LS20438 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.113 c1cc(nc(c1)Cl)C(=O)O LS20264 [0,0,0,0,0,1|3,0,0]=4 61 B7R0.4 CCC\C=C\C(=O)C LS41924 [1,0,1,0,0,0|0,0,2]=4 62 B7R1.1 CCc1[nH]ccn1 LS20052 [2,0,0,0,0,0|1,0,1]=4 63 B7R1.1 c1c(nc[nH]1)C=O LS20992 [2,0,0,0,0,0|1,0,1]=4 64 B7R1.1 c1c(ncs1)C=O LS21128 [2,0,0,0,0,0|1,0,1]=4 65 B7R1.1 c1cc([nH]c1)C=O LS00119 [2,0,0,0,0,0|0,0,0]=2 66 B7R1.1 c1cc(sc1)C=O LS40350 [2,0,0,0,0,0|1,0,0]=3 67 B7R1.1 c1cnc([nH]1)C=O LS20564 [2,0,0,0,0,0|1,0,0]=3 68 B7R1.1 c1csc(n1)C=O LS20580 [2,0,0,0,0,0|1,0,1]=4 69 B7R1.1 c1cscc1C=O LS20646 [2,0,0,0,0,0|2,0,0]=4 70 B7R1.4 Cn1c(ccn1)N LS20177 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.11 COC(=O)c1c[nH]cn1 LS20049 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.11 COC(=O)c1ccc[nH]1 LS20248 [1,1,0,0,0,0|0,0,0]=2 73 B9R1.35 Cc1cc([nH]n1)C(=O)O LS20817 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.35 c1c(csc1C(=O)O)Br LS20661 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.53 COc1ccccc1C(=O)Cl LS11458 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.53 COc1ccccc1C(=O)O LS11456 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.156 CC(=O)c1c(cccc1Br)F LS11304 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.156 CC(=O)c1c(cccc1F)F LS11166 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.156 Cc1cccc(c1C(=O)O)O LS10070 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.159 CC(=O)c1cccc(c1F)Br LS10318 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.159 Cc1c(cccc1F)C(=O)O LS10580 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.159 Cc1c(cccc1I)C(=O)O LS10045 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.159 Cc1cccc(c1C)C(=O)O LS11825 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.166 CC(=O)c1ccc(cc1Cl)Br LS10361 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.166 CC(=O)c1ccc(cc1F)Cl LS10306 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.166 Cc1cc(ccc1C(=O)O)F LS10581 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.167 CC(=O)c1cc(ccc1Br)Cl LS11579 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.167 CC(=O)c1cc(ccc1Br)F LS10365 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.167 CC(=O)c1cc(ccc1F)Br LS10106 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.167 CC(=O)c1cc(ccc1I)F LS10113 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.167 CC(=O)c1cc(ccc1O)O LS11715 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.167 Cc1ccc(cc1C(=O)O)Br LS10562 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.167 Cc1ccc(cc1C(=O)O)F LS10582 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.167 Cc1ccc(cc1C(=O)O)I LS11399 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.222 CCC(=O)c1ccccc1Cl LS11338 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.222 CNC(=O)c1ccccc1N LS11490 [0,1,0,0,0,1|2,0,0]=4 101 B11R1.222 COC(=O)c1ccccc1Cl LS10628 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.222 COC(=O)c1cccnc1N LS20032 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.222 Cc1ccccc1C(=O)CBr LS11319 [0,1,0,0,0,1|1,0,0]=3 104 B11R1.23 CCC(=O)c1cccc(c1)Cl LS41311 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl LS10356 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.74 CC(=O)c1cc(cc(c1)F)F LS11171 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.74 Cc1cc(cc(c1)N)C(=O)O LS10247 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.266 COc1cccc(c1)C(=O)O LS11528 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl LS10105 [0,1,0,0,0,1|2,0,0]=4 110 B9R1.2 CNc1cccc(c1)Cl LS10187 [0,0,1,1,0,0|1,0,1]=4 111 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,0,1,1,0,0|0,0,2]=4 112 B9R1.15 CNc1ccccc1Br LS11478 [0,0,1,1,0,0|1,0,1]=4 113 B9R1.15 CNc1ccccc1F LS10646 [0,0,1,1,0,0|1,0,1]=4 114 B11R2.1 c1cc2c(nc1)COC2=O LS41441 [0,0,0,1,0,1|2,0,0]=4 115 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,0,0,0,0,2|2,0,0]=4 116 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,0,0,0,0,2|2,0,0]=4 117 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,0,0,0,0,2|2,0,0]=4 118 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [0,0,0,0,0,2|2,0,0]=4 119 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [0,0,0,0,0,2|2,0,0]=4 120 B11R1.157 CC(=O)Nc1cccc(n1)N LS20129 [0,0,0,0,0,2|2,0,0]=4