0 B9R1.35 B(c1cc(co1)C)(O)O AB08042 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 B(c1cc(cs1)C)(O)O AB08861 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 B(c1cc(sc1)C)(O)O AB72596 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 B(c1cn(nn1)C)(O)O AB69586 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 C1=C(N=CC1N)C(=O)O AB43641 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.35 C1=C(N=NC1C(=O)O)N AB09167 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.35 C1=NC(=NC1N)C(=O)O AB07902 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 C1=NC(=O)N=C1C(=O)O AB09197 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.35 C1C=C(N=C1Br)C(=O)O MB19809 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 C1CC(=O)C=C1C(=O)O CB11482 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 CC(=O)C1=NC=C(C1)Cl AB52884 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 CC(=O)c1cc(cs1)Cl PB13009 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.35 CC(=O)c1cc(sc1)Br AB71462 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 CC(=O)c1cc(sc1)Cl PB18443 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 CC(=O)c1ncc(s1)Br PB19039 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 CC(=O)c1ncc(s1)Cl PB35653 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 CC(c1cn(cn1)C)O PB34949 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.35 CC1=NC(=NC1)C(=O)O AB53262 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.35 CC1=NN=C(C1)C(=O)O PB13019 [0,0,0,0,0,0|0,0,2]=2 19 B9R1.35 CC1=NN=C(C1)[N+](=O)[O-] AB06397 [0,0,0,0,0,0|1,0,3]=4 20 B9R1.35 Cc1[nH]c(cn1)C(=O)C AB51549 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.35 Cc1[nH]c(cn1)C(=O)O AB05025 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.35 Cc1[nH]c(nn1)C(=O)O AB12749 [0,0,0,0,0,0|1,0,1]=2 23 B9R1.35 Cc1[nH]c(nn1)C(=O)O AB57423 [0,0,0,0,0,0|1,0,1]=2 24 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.35 Cc1cc(no1)C(=O)O CB10494 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.35 Cc1cnc(o1)C(=O)O AB53258 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.35 Cc1cnc(s1)C(=O)O AB43204 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.35 Cc1coc(n1)C(=O)O PB31618 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.35 Cc1csc(n1)C(=O)O PB26270 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.35 Cc1nc(co1)C(=O)O AB05124 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.35 Cc1nc(cs1)C(=O)O AB14027 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.35 Cc1nc(no1)C(=O)O AB44082 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.35 Cc1nc(on1)C(=O)O AB55970 [0,0,0,0,0,0|2,0,1]=3 38 B9R1.35 Cc1ncc(s1)C(=O)O PB12949 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.35 Cc1nnc(o1)C(=O)[O-] PB14509 [0,0,0,0,0,0|1,0,2]=3 40 B9R1.35 Cc1nnc(s1)C(=O)O AB65141 [0,0,0,0,0,0|1,0,1]=2 41 B9R1.35 Cn1cc(cn1)C(=O)O PB27447 [0,0,0,0,0,0|2,0,1]=3 42 B9R1.35 Cn1cc(nc1)C(=O)O PB21172 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.35 Cn1cc(nn1)C(=O)O AB48246 [0,0,0,0,0,0|1,0,1]=2 44 B9R1.35 Cn1ccc(n1)C(=O)O PB29090 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.35 c1([nH]c(nn1)Br)C(=O)O MB19800 [0,0,0,0,0,0|2,0,1]=3 46 B9R1.35 c1([nH]c(nn1)Cl)C(=O)N MB19805 [0,0,0,0,0,0|3,0,1]=4 47 B9R1.35 c1([nH]c(nn1)Cl)C(=O)O MB09048 [0,0,0,0,0,0|2,0,1]=3 48 B9R1.35 c1([nH]c(nn1)O)C(=O)O AB30461 [0,0,0,0,0,0|2,0,1]=3 49 B9R1.35 c1c(coc1Br)C(=O)O AB45895 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.35 c1c(coc1C(=O)N)Br AB65725 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.35 c1c(csc1Br)C(=O)O PB20302 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.35 c1c(csc1C(=O)N)Br AB53759 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.35 c1c(csc1C(=O)O)Br PB29256 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.35 c1c(csc1C(=O)O)Cl PB25964 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.35 c1c(csc1Cl)C(=O)N AB09992 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.35 c1c(csc1Cl)C(=O)O PB17106 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.35 c1c(csc1F)C(=O)O PB18609 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.35 c1c(nc(o1)Br)C(=O)O PB14959 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.35 c1c(nc(o1)C(=O)O)Br AB59761 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.35 c1c(nc(o1)Cl)C(=O)O PB20528 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.35 c1c(nc(o1)N)C(=O)O PB31410 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.35 c1c(nc(s1)Br)C(=O)O AB20482 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.35 c1c(nc(s1)C(=O)O)Br PB32743 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.35 c1c(nc(s1)Cl)C(=O)O CB11341 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.35 c1c(nc(s1)N)C(=O)O AB07466 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.35 c1c(onc1Br)C(=O)O AB32047 [0,0,0,0,0,0|2,0,1]=3 68 B9R1.35 c1c(sc(n1)Br)C(=O)O PB12322 [0,0,0,0,0,0|3,0,1]=4 69 B9R1.35 c1c(sc(n1)C(=O)N)Br MB14267 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.35 c1c(sc(n1)C(=O)O)Br PB31583 [0,0,0,0,0,0|3,0,0]=3 71 B9R1.35 c1c(sc(n1)C(=O)O)Cl PB26550 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.35 c1c(sc(n1)C(=O)O)N PB33442 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.35 c1c(sc(n1)C(=O)O)N PB37974 [0,0,0,0,0,0|3,0,0]=3 74 B9R1.35 c1c(sc(n1)N)C(=O)O AB23200 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.1 C1=C(N=CC1Cl)C=O PB27576 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.1 C1=C(N=NC1C=O)Br AB60563 [1,0,0,0,0,0|1,0,2]=4 81 B8R1.1 C1=C(N=NC1C=O)N AB69209 [1,0,0,0,0,0|1,0,2]=4 82 B8R1.1 CC1=CN=C(C1)C=O AB43814 [1,0,0,0,0,0|1,0,1]=3 83 B8R1.1 CC1=NC(=CC1)C=O AB43978 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.1 CC1=NC(=NC1)C=O AB22828 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.1 CC1=NN=C(C1)C=O AB49641 [1,0,0,0,0,0|0,0,2]=3 86 B8R1.1 Cc1[nH]c(cn1)C=O AB05024 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.1 Cc1[nH]c(nn1)C=O AB57354 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.1 Cc1cc(no1)CN AB06189 [1,0,0,0,0,0|2,0,1]=4 89 B8R1.1 Cc1cc(on1)C=O CB11269 [1,0,0,0,0,0|1,0,1]=3 90 B8R1.1 Cc1ccc(s1)C=O AB00417 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.1 Cc1cnc(o1)CO AB63479 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.1 Cc1cnc(s1)C=O AB43202 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.1 Cc1coc(n1)C=O PB28183 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.1 Cc1csc(n1)C=O PB14084 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.1 Cc1nc(co1)C=O AB13940 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.1 Cc1nc(cs1)C=O AB25415 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.1 Cc1nc(no1)CO AB43139 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.1 Cc1nc(on1)C=O AB57238 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.1 Cc1ncc(o1)C=O AB27658 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.1 Cc1ncc(s1)C=O CB11336 [1,0,0,0,0,0|2,0,1]=4 101 B8R1.1 Cc1nnc(o1)C=O AB57523 [1,0,0,0,0,0|1,0,1]=3 102 B8R1.1 Cc1nnc(s1)C=O AB62638 [1,0,0,0,0,0|1,0,1]=3 103 B8R1.1 Cn1cc(cn1)C=O PB23185 [1,0,0,0,0,0|2,0,1]=4 104 B8R1.1 Cn1cc(nc1)C=O PB24797 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.1 Cn1cc(nc1)CO PB13038 [1,0,0,0,0,0|2,0,1]=4 106 B8R1.1 Cn1cc(nn1)C=O AB57105 [1,0,0,0,0,0|1,0,1]=3 107 B8R1.1 Cn1cc(nn1)CO AB69593 [1,0,0,0,0,0|1,0,2]=4 108 B8R1.1 c1c(csc1Br)C=O PB31345 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.1 c1c(csc1C=O)Br PB24526 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.1 c1c(csc1C=O)Cl PB20572 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.1 c1c(csc1Cl)C=O PB18241 [1,0,0,0,0,0|3,0,0]=4 112 B8R1.1 c1c(onc1Br)C=O AB52798 [1,0,0,0,0,0|2,0,1]=4 113 B8R1.1 c1c(sc(n1)C=O)Br PB22294 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.1 c1c(sc(n1)C=O)Cl PB22169 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.7 C1=NC=NC1C(=O)O AB03082 [1,0,0,0,0,0|2,0,1]=4 116 B8R1.7 C1=NN=NC1C(=O)O AB01780 [1,0,0,0,0,0|1,0,2]=4 117 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [1,0,0,0,0,0|1,0,2]=4 118 B8R1.7 C1C=C(N=N1)C(=O)N CB11465 [1,0,0,0,0,0|1,0,2]=4 119 B8R1.7 C1C=C(N=N1)C(=O)O AB06191 [1,0,0,0,0,0|0,0,2]=3 120 B8R1.7 C1C=C(N=N1)C(=O)O PB17100 [1,0,0,0,0,0|0,0,2]=3 121 B8R1.7 C1C=NC(=N1)C(=O)N AB50089 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.7 C1COC=C1C(=O)O PB26262 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.7 CC(=O)c1ccsc1 PB17033 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.7 CC(=O)c1cocn1 AB73503 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.7 CC(=O)c1ncco1 AB42105 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.7 c1[nH]c(nn1)C(=O)O AB04453 [1,0,0,0,0,0|1,0,1]=3 127 B8R1.7 c1[nH]nc(n1)C(=O)O AB02998 [1,0,0,0,0,0|1,0,0]=2 128 B8R1.7 c1c(con1)C(=O)O AB27926 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.7 c1c(csn1)C(=O)O AB48586 [1,0,0,0,0,0|2,0,1]=4 130 B8R1.7 c1c(nco1)C(=O)O PB14470 [1,0,0,0,0,0|2,0,0]=3 131 B8R1.7 c1c(nco1)C(=O)[O-] AB28203 [1,0,0,0,0,0|2,0,1]=4 132 B8R1.7 c1c(ncs1)C(=O)N AB06564 [1,0,0,0,0,0|3,0,0]=4 133 B8R1.7 c1c(ncs1)C(=O)O AB06561 [1,0,0,0,0,0|2,0,0]=3 134 B8R1.7 c1c(non1)C(=O)O AB06534 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.7 c1c(nsn1)C(=O)O AB09086 [1,0,0,0,0,0|2,0,0]=3 136 B8R1.7 c1c(ocn1)C(=O)O AB19293 [1,0,0,0,0,0|2,0,1]=4 137 B8R1.7 c1c(scn1)C(=O)O AB15430 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.7 c1cnsc1C(=O)O AB32452 [1,0,0,0,0,0|1,0,1]=3 139 B8R1.7 c1coc(n1)C(=O)N AB19289 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.7 c1coc(n1)C(=O)O AB19305 [1,0,0,0,0,0|2,0,0]=3 141 B8R1.7 c1cocc1C(=O)O PB30525 [1,0,0,0,0,0|2,0,0]=3 142 B8R1.7 c1conc1C(=O)O PB26232 [1,0,0,0,0,0|1,0,0]=2 143 B8R1.7 c1conc1C(=S)N AB21754 [1,0,0,0,0,0|2,1,0]=4 144 B8R1.7 c1csc(n1)C(=O)O AB10888 [1,0,0,0,0,0|2,0,0]=3 145 B8R1.7 c1cscc1C(=O)O PB18386 [1,0,0,0,0,0|2,0,0]=3 146 B8R1.7 c1csnc1C(=O)O PB34433 [1,0,0,0,0,0|1,0,0]=2 147 B8R1.7 c1nnc(o1)C(=O)O AB57583 [1,0,0,0,0,0|1,0,1]=3 148 B10R1.14 CC1=NC(=NC1)C(=O)OC AB53499 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.14 COC(=O)C1=NC=C(C1)Br PB29127 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.14 COC(=O)C1=NN=C(C1)N AB43460 [0,1,0,0,0,0|1,0,2]=4 151 B10R1.14 COC(=O)c1[nH]c(nn1)Br MB13542 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.14 COC(=O)c1[nH]c(nn1)Cl MB15035 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.14 COC(=O)c1cc(cs1)Br PB18709 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.14 COC(=O)c1cc(cs1)Cl PB24460 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.14 COC(=O)c1cc(sc1)Br PB21329 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.14 COC(=O)c1cc(sc1)Cl PB30437 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.14 COC(=O)c1ncc(s1)Br MB14341 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.14 COC(=O)c1ncc(s1)N PB39132 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.14 Cc1[nH]c(nn1)C(=O)OC AB53506 [0,1,0,0,0,0|1,0,1]=3 160 B10R1.14 Cc1cc(no1)C(=O)NN AB10698 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.14 Cc1ccc(s1)C(=O)OC AB23205 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.14 Cc1cnc(o1)C(=O)OC AB53495 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.14 Cc1cnc(s1)C(=O)OC AB10517 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.14 Cc1csc(n1)C(=O)OC AB44701 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.14 Cc1nc(co1)C(=O)OC AB13936 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.14 Cc1nc(no1)C(=O)OC AB44667 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.14 Cc1ncc(o1)C(=O)OC AB27653 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.14 Cn1cnc(n1)C(=O)OC PB21294 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.31 CCc1[nH]c(cn1)C(=O)O AB23181 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.31 CCc1[nH]c(nn1)C(=O)O AB57427 [0,1,0,0,0,0|1,0,1]=3 171 B10R1.31 CCc1cc(no1)C(=O)O AB22807 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.31 CCc1nc(on1)C(=O)O AB55980 [0,1,0,0,0,0|2,0,1]=4 173 B10R1.31 CCc1nnc(o1)C(=O)O AB57587 [0,1,0,0,0,0|1,0,1]=3 174 B10R1.31 CCn1cc(nn1)C(=O)C AB76172 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.31 CCn1cc(nn1)C(=O)O AB71500 [0,1,0,0,0,0|1,0,1]=3 176 B10R1.31 COc1cc(on1)C(=O)O AB31988 [0,1,0,0,0,0|1,0,1]=3 177 B10R1.31 COc1ncc(s1)C(=O)O AB50992 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.58 B(c1cc(n(c1)C)C)(O)O MB18109 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.58 Cc1cc(nn1C)C(=O)O AB03175 [0,1,0,0,0,0|0,0,0]=1 180 B10R1.58 Cc1nc(nn1C)C(=O)O AB84872 [0,1,0,0,0,0|1,0,0]=2 181 B10R1.58 Cn1c(cc(n1)C(=O)O)N PB19094 [0,1,0,0,0,0|1,0,0]=2 182 B10R1.58 Cn1c(cc(n1)C(=O)O)O AB62568 [0,1,0,0,0,0|1,0,0]=2 183 B10R1.59 CC1=C(N=C(C1)C)C(=O)O AB12161 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.59 Cc1c(cn(n1)C)C(=O)O AB06177 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.59 Cc1cc(c(o1)C)C(=O)O AB03078 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.59 Cc1cc(c(s1)N)C(=O)N AB03142 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.59 Cc1cc(c(s1)N)C(=O)O AB22303 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.59 Cc1cc(n(n1)C)C(=O)C AB20875 [0,1,0,0,0,0|1,0,2]=4 189 B10R1.59 Cc1cc(n(n1)C)C(=O)O PB14132 [0,1,0,0,0,0|0,0,2]=3 190 B10R1.59 Cn1c(cc(n1)Cl)C(=O)O PB35003 [0,1,0,0,0,0|1,0,2]=4 191 B10R1.59 Cn1cc(cc1C(=O)O)N AB42940 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.59 c1c(c(sc1Br)Cl)C(=O)O MB19768 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.59 c1c(c(sc1Cl)Cl)C(=O)O PB12074 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.59 c1c(cn(c1C(=O)O)N)Br MB14547 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.194 C1(C(=C(N=N1)Cl)Cl)C(=O)O AB65800 [0,1,0,0,0,0|1,0,2]=4 196 B10R1.194 C1(C(=C(N=N1)N)Cl)C(=O)O MB14728 [0,1,0,0,0,0|1,0,2]=4 197 B10R1.194 C1=NC(=C(C1F)F)C(=O)O PB25324 [0,1,0,0,0,0|2,0,1]=4 198 B10R1.194 CC1=C(C(=NC1)C(=O)O)C PB17071 [0,1,0,0,0,0|1,0,0]=2 199 B10R1.194 Cc1cnc(n1C)C(=O)O AB70178 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.194 Cc1nnc(n1C)C(=O)O AB84875 [0,1,0,0,0,0|1,0,1]=3 201 B10R1.194 Cn1c(c(cn1)C(=O)O)N MB01617 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.194 Cn1c(c(nn1)C(=O)O)N AB69772 [0,1,0,0,0,0|1,0,1]=3 203 B10R1.194 c1c(c(c(s1)C(=O)O)N)Br AB65684 [0,1,0,0,0,0|3,0,0]=4 204 B8R1.23 C1[C@@H](NC1=O)C(=O)O PB27000 [0,0,0,0,1,0|1,0,2]=4 205 B8R1.23 C1[C@H](NC1=O)C(=O)O PB21715 [0,0,0,0,1,0|1,0,2]=4 206 B10R1.13 B(c1ccc(cn1)C)(O)O AB06946 [0,0,0,0,0,1|2,0,1]=4 207 B10R1.13 B(c1cnc(cn1)C)(O)O AB54260 [0,0,0,0,0,1|2,0,1]=4 208 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,0,0,0,0,1|3,0,0]=4 210 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.13 CC(=O)c1ccc(nn1)Cl PB20488 [0,0,0,0,0,1|2,0,1]=4 214 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.13 CC(=O)c1ncc(cn1)Br PB34979 [0,0,0,0,0,1|3,0,0]=4 216 B10R1.13 CC(=O)c1ncc(cn1)F PB24344 [0,0,0,0,0,1|3,0,0]=4 217 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,0,0,0,0,1|2,0,1]=4 218 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [0,0,0,0,0,1|2,0,1]=4 219 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,0,0,0,0,1|1,0,1]=3 220 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,0,0,0,0,1|2,0,0]=3 221 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,0,0,0,0,1|1,0,0]=2 222 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [0,0,0,0,0,1|1,0,1]=3 223 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [0,0,0,0,0,1|0,0,1]=2 224 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [0,0,0,0,0,1|2,0,0]=3 225 B10R1.13 Cc1cnc(cn1)C(=O)N CB10282 [0,0,0,0,0,1|2,0,0]=3 226 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [0,0,0,0,0,1|1,0,0]=2 227 B10R1.13 Cc1cnc(nc1)C(=N)N PB37310 [0,0,0,0,0,1|3,0,0]=4 228 B10R1.13 Cc1cnc(nc1)C(=O)O PB29748 [0,0,0,0,0,1|1,0,0]=2 229 B10R1.13 Cc1ncc(cn1)C(=O)O PB27884 [0,0,0,0,0,1|1,0,1]=3 230 B10R1.13 c1c(cnc(n1)C(=O)N)Br MB01294 [0,0,0,0,0,1|3,0,0]=4 231 B10R1.13 c1c(cnc(n1)C(=O)O)Br PB33902 [0,0,0,0,0,1|2,0,0]=3 232 B10R1.13 c1c(cnc(n1)C(=O)O)Cl PB13081 [0,0,0,0,0,1|2,0,0]=3 233 B10R1.13 c1c(cnc(n1)C(=O)O)F PB31127 [0,0,0,0,0,1|2,0,0]=3 234 B10R1.13 c1c(cnc(n1)C(=O)O)N PB34128 [0,0,0,0,0,1|2,0,0]=3 235 B10R1.13 c1c(cnc(n1)Cl)C(=O)O PB24941 [0,0,0,0,0,1|2,0,1]=4 236 B10R1.13 c1c(cnc(n1)N)C(=O)O AB22915 [0,0,0,0,0,1|2,0,1]=4 237 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [0,0,0,0,0,1|2,0,1]=4 238 B10R1.13 c1c(ncc(n1)Br)C(=O)N MB14265 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [0,0,0,0,0,1|2,0,0]=3 240 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [0,0,0,0,0,1|2,0,0]=3 241 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [0,0,0,0,0,1|2,0,0]=3 242 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [0,0,0,0,0,1|2,0,0]=3 243 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [0,0,0,0,0,1|2,0,0]=3 244 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [0,0,0,0,0,1|2,0,1]=4 245 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [0,0,0,0,0,1|2,0,1]=4 246 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [0,0,0,0,0,1|2,0,1]=4 247 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [0,0,0,0,0,1|2,0,1]=4 248 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [0,0,0,0,0,1|2,0,1]=4 249 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [0,0,0,0,0,1|2,0,1]=4 250 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [0,0,0,0,0,1|2,0,1]=4 251 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [0,0,0,0,0,1|2,0,0]=3 252 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [0,0,0,0,0,1|2,0,0]=3 253 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [0,0,0,0,0,1|2,0,0]=3 254 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [0,0,0,0,0,1|3,0,0]=4 255 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [0,0,0,0,0,1|2,0,0]=3 256 B10R1.13 c1cc(nnc1C(=O)O)Cl PB27458 [0,0,0,0,0,1|1,0,1]=3 257 B10R1.13 c1cc(nnc1C(=O)O)N PB30836 [0,0,0,0,0,1|1,0,1]=3 258 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [0,0,0,0,0,1|1,0,1]=3 259 B10R1.54 C1=C(N=NC1CC(=O)O)N PB13219 [0,0,0,0,0,1|1,0,2]=4 260 B10R1.54 CC1=NC(=NC1)NC(=O)C AB53098 [0,0,0,0,0,1|3,0,0]=4 261 B10R1.54 Cc1[nH]c(nn1)CC(=O)O AB22814 [0,0,0,0,0,1|1,0,1]=3 262 B10R1.54 Cc1nc(cs1)CC(=O)O AB12126 [0,0,0,0,0,1|3,0,0]=4 263 B10R1.54 Cn1cc(nc1)CC(=O)O CB11156 [0,0,0,0,0,1|2,0,0]=3 264 B10R1.54 c1c(sc(n1)CC(=O)O)Cl PB15499 [0,0,0,0,0,1|3,0,0]=4 265 B10R1.113 B(c1cc(ccn1)C)(O)O AB13221 [0,0,0,0,0,1|2,0,1]=4 266 B10R1.113 C1C(=O)N=C(C=N1)C(=O)O AB60468 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,0,0,0,0,1|3,0,0]=4 269 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,0,0,0,0,1|3,0,0]=4 270 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,0,0,0,0,1|3,0,0]=4 271 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,0,0,0,0,1|3,0,0]=4 272 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,0,0,0,0,1|3,0,0]=4 273 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,0,0,0,0,1|3,0,0]=4 274 B10R1.113 CC(=O)c1cc(ncn1)Cl AB75829 [0,0,0,0,0,1|2,0,1]=4 275 B10R1.113 CC(=O)c1cc(nnc1)Cl AB76969 [0,0,0,0,0,1|2,0,1]=4 276 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [0,0,0,0,0,1|2,0,1]=4 277 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [0,0,0,0,0,1|2,0,1]=4 278 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [0,0,0,0,0,1|1,0,1]=3 279 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [0,0,0,0,0,1|1,0,0]=2 280 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] AB17987 [0,0,0,0,0,1|2,0,1]=4 281 B10R1.113 Cc1cc(ncn1)C(=O)C AB50216 [0,0,0,0,0,1|1,0,1]=3 282 B10R1.113 Cc1cc(ncn1)C(=O)O PB20450 [0,0,0,0,0,1|0,0,1]=2 283 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,0,0,0,0,1|2,0,0]=3 285 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [0,0,0,0,0,1|1,0,0]=2 286 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [0,0,0,0,0,1|2,0,0]=3 287 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [0,0,0,0,0,1|2,0,0]=3 288 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [0,0,0,0,0,1|2,0,0]=3 289 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [0,0,0,0,0,1|2,0,0]=3 290 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [0,0,0,0,0,1|2,0,0]=3 291 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [0,0,0,0,0,1|3,0,0]=4 292 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [0,0,0,0,0,1|2,0,0]=3 293 B10R1.113 c1c(cnnc1Cl)C(=O)O PB30096 [0,0,0,0,0,1|1,0,1]=3 294 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [0,0,0,0,0,1|3,0,0]=4 295 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [0,0,0,0,0,1|3,0,0]=4 296 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [0,0,0,0,0,1|3,0,0]=4 297 B10R1.113 c1c(ncnc1Br)C(=O)N MB14319 [0,0,0,0,0,1|2,0,1]=4 298 B10R1.113 c1c(ncnc1Cl)C(=O)O AB48398 [0,0,0,0,0,1|1,0,1]=3 299 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [0,0,0,0,0,1|2,0,0]=3 300 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [0,0,0,0,0,1|2,0,1]=4 301 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [0,0,0,0,0,1|2,0,1]=4 302 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [0,0,0,0,0,1|2,0,1]=4 303 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [0,0,0,0,0,1|2,0,1]=4 304 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [0,0,0,0,0,1|2,0,1]=4 305 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [0,0,0,0,0,1|2,0,1]=4 306 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [0,0,0,0,0,1|3,0,0]=4 307 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [0,0,0,0,0,1|2,0,0]=3 308 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [0,0,0,0,0,1|2,0,0]=3 309 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [0,0,0,0,0,1|2,0,0]=3 310 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [0,0,0,0,0,1|2,0,0]=3 311 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [0,0,0,0,0,1|3,0,0]=4 312 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [0,0,0,0,0,1|2,0,0]=3 313 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [0,0,0,0,0,1|3,0,0]=4 314 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [0,0,0,0,0,1|2,0,0]=3 315 B10R1.113 c1cnc(nc1Cl)C(=O)O AB55866 [0,0,0,0,0,1|3,0,0]=4 316 B7R1.1 C1C=C(N=N1)C=O AB25611 [2,0,0,0,0,0|0,0,2]=4 317 B7R1.1 C1C=CN=C1C=O AB00388 [2,0,0,0,0,0|1,0,1]=4 318 B7R1.1 c1[nH]c(nn1)C=O AB48516 [2,0,0,0,0,0|1,0,1]=4 319 B7R1.1 c1[nH]nc(n1)C=O AB63486 [2,0,0,0,0,0|1,0,0]=3 320 B7R1.1 c1c(nco1)C=O PB23292 [2,0,0,0,0,0|2,0,0]=4 321 B7R1.1 c1c(ncs1)C=O AB06592 [2,0,0,0,0,0|2,0,0]=4 322 B7R1.1 c1cn(nn1)C=O MB06576 [2,0,0,0,0,0|1,0,1]=4 323 B7R1.1 c1cnsc1C=O AB32448 [2,0,0,0,0,0|1,0,1]=4 324 B7R1.1 c1coc(n1)C=O AB14413 [2,0,0,0,0,0|2,0,0]=4 325 B7R1.1 c1conc1C=O PB26237 [2,0,0,0,0,0|1,0,0]=3 326 B7R1.1 c1conc1CO PB15902 [2,0,0,0,0,0|1,0,1]=4 327 B7R1.1 c1csc(n1)C=O PB12109 [2,0,0,0,0,0|2,0,0]=4 328 B7R1.1 c1cscc1C=O PB14065 [2,0,0,0,0,0|2,0,0]=4 329 B7R1.2 CC1=NC(=O)N=C1 AB05017 [2,0,0,0,0,0|2,0,0]=4 330 B7R1.2 Cc1[nH]nc(n1)C PB23188 [2,0,0,0,0,0|1,0,1]=4 331 B7R1.2 Cc1cc(no1)N PB28932 [2,0,0,0,0,0|2,0,0]=4 332 B7R1.2 Cc1cnc(o1)O AB53086 [2,0,0,0,0,0|2,0,0]=4 333 B7R1.2 Cc1cnc(s1)O AB53102 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.21 CCC1=NN=C(C1)C=O AB60562 [1,1,0,0,0,0|0,0,2]=4 335 B9R1.21 CCc1[nH]c(nn1)C=O AB57357 [1,1,0,0,0,0|1,0,1]=4 336 B9R1.21 CCc1nnc(o1)C=O AB57527 [1,1,0,0,0,0|1,0,1]=4 337 B9R1.21 CCn1cc(nn1)C=O AB76653 [1,1,0,0,0,0|1,0,1]=4 338 B9R1.21 COc1[nH]cc(n1)C=O AB57915 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.21 CSC1=NN=C(C1)C=O MB14625 [1,1,0,0,0,0|0,0,2]=4 340 B9R1.22 Cc1cc(n(n1)C)C=O AB12155 [1,1,0,0,0,0|0,0,2]=4 341 B9R1.23 Cc1cc(nn1C)CCl PB14522 [1,1,0,0,0,0|1,0,1]=4 342 B9R1.23 Cc1cc(nn1C)CN PB29261 [1,1,0,0,0,0|1,0,1]=4 343 B9R1.23 Cc1cc(nn1C)CO PB29273 [1,1,0,0,0,0|0,0,1]=3 344 B9R1.23 Cc1cc(sc1Br)C=O PB24914 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.23 Cc1nc(nn1C)C=O AB76716 [1,1,0,0,0,0|1,0,0]=3 346 B9R1.132 CC1=C(C(=NC1)C=O)C PB21628 [1,1,0,0,0,0|1,0,0]=3 347 B9R1.132 Cc1cnc(n1C)C=O AB62623 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.132 Cc1nnc(n1C)C=O AB45819 [1,1,0,0,0,0|1,0,1]=4 349 B9R1.11 COC(=O)C1=NN=CC1 PB10159 [1,1,0,0,0,0|0,0,2]=4 350 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.11 COC(=O)c1ccsc1 PB18711 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.11 COC(=O)c1cscn1 AB25133 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.11 COC(=O)c1ncco1 AB42108 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.11 c1cc(sc1)C(=O)O[Cu] AB11500 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.11 c1conc1C(=O)NN AB28024 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.41 C1=NN=C(C1N)C(=O)O AB50212 [1,1,0,0,0,0|0,0,2]=4 357 B9R1.41 C1C=C(C(=N1)C(=O)O)N AB14781 [1,1,0,0,0,0|1,0,0]=3 358 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.41 Cc1c(ncs1)C(=O)O AB27941 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.41 Cc1ccoc1C(=O)O AB01137 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.41 Cc1ccsc1C(=O)O AB00421 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.41 Cn1c(ccn1)C(=O)O PB26026 [1,1,0,0,0,0|0,0,2]=4 363 B9R1.41 Cn1cccc1C(=O)O CB10008 [1,1,0,0,0,0|1,0,1]=4 364 B9R1.41 Cn1ccnc1C(=O)O PB21787 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.41 Cn1cnnc1C(=O)O AB57420 [1,1,0,0,0,0|1,0,1]=4 366 B9R1.41 c1(c(nsn1)N)C(=O)O CB10423 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.41 c1[nH]c(c(n1)C(=O)O)N AB54857 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.41 c1c(c(cs1)Br)C(=O)O PB14213 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.41 c1coc(c1I)C(=O)O AB85068 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.41 c1csc(c1N)C(=O)O AB14784 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.164 CC1(CC(=C1)C(=O)O)C PB18244 [0,1,0,0,1,0|1,0,1]=4 375 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.3 CC(=O)c1ccc(nn1)OC AB70140 [0,1,0,0,0,1|1,0,1]=4 377 B11R1.3 CC(=O)c1cnc(cn1)OC AB69890 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.3 CNc1ncc(cn1)C(=O)O AB43554 [0,1,0,0,0,1|1,0,1]=4 379 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [0,1,0,0,0,1|1,0,1]=4 380 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [0,1,0,0,0,1|1,0,0]=3 381 B11R1.3 COc1ccc(nn1)C(=O)O AB52589 [0,1,0,0,0,1|0,0,1]=3 382 B11R1.3 COc1cnc(cn1)C(=O)O AB60459 [0,1,0,0,0,1|1,0,0]=3 383 B11R1.3 COc1ncc(cn1)C(=O)O AB43547 [0,1,0,0,0,1|1,0,1]=4 384 B11R1.3 CSc1ncc(cn1)C(=O)O PB17421 [0,1,0,0,0,1|1,0,1]=4 385 B11R1.3 c1cc(ncc1C#N)C(=O)O AB49711 [0,1,0,0,0,1|1,0,1]=4 386 B11R1.3 c1cc(ncc1C(=O)O)CN AB23462 [0,1,0,0,0,1|1,0,1]=4 387 B11R1.3 c1cc(ncc1C=O)C(=O)O AB63121 [0,1,0,0,0,1|1,0,1]=4 388 B11R1.21 Cc1c(cc(cn1)C(=O)O)Br AB74944 [0,1,0,0,0,1|1,0,1]=4 389 B11R1.21 Cc1c(cc(cn1)C(=O)O)Cl AB74644 [0,1,0,0,0,1|1,0,1]=4 390 B11R1.21 Cc1c(cc(cn1)C(=O)O)F AB71562 [0,1,0,0,0,1|1,0,1]=4 391 B11R1.21 Cc1c(cc(cn1)C(=O)O)N PB30351 [0,1,0,0,0,1|1,0,1]=4 392 B11R1.21 Cc1c(cc(cn1)C(=O)O)O AB74651 [0,1,0,0,0,1|1,0,1]=4 393 B11R1.21 Cc1c(ccc(n1)C(=O)O)Cl AB74921 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.21 Cc1c(ccc(n1)C(=O)O)F AB62793 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.21 Cc1c(nc(cn1)C(=O)C)C AB21776 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.21 Cc1c(nc(cn1)C(=O)O)C AB13799 [0,1,0,0,0,1|1,0,0]=3 397 B11R1.21 Cc1c(ncc(n1)C(=O)O)Cl AB71835 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.21 Cc1c(ncc(n1)C(=O)O)F AB85697 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.21 Cc1cc(cnc1C)C(=O)O AB66691 [0,1,0,0,0,1|1,0,1]=4 400 B11R1.21 Cc1cc(ncc1Br)C(=O)O AB41173 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.21 Cc1cc(ncc1C)C(=O)C AB74626 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.21 Cc1cc(ncc1C)C(=O)O AB64943 [0,1,0,0,0,1|1,0,0]=3 403 B11R1.21 Cc1cc(ncc1Cl)C(=O)O AB41176 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.21 Cc1cc(ncc1F)C(=O)O AB74791 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.21 Cc1ccc(nc1C)C(=O)C AB74623 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.21 Cc1ccc(nc1C)C(=O)O AB62927 [0,1,0,0,0,1|1,0,0]=3 407 B11R1.21 Cc1ccc(nc1Cl)C(=O)C AB75095 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.21 Cc1ccc(nc1Cl)C(=O)O AB66617 [0,1,0,0,0,1|1,0,0]=3 409 B11R1.21 Cc1ccc(nc1F)C(=O)C AB75167 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.21 Cc1ccc(nc1F)C(=O)O AB72844 [0,1,0,0,0,1|1,0,0]=3 411 B11R1.21 Cc1cnc(c[n+]1[O-])C(=O)O MB01535 [0,1,0,0,0,1|1,0,0]=3 412 B11R1.21 Cc1cnc(cc1Br)C(=O)O AB70164 [0,1,0,0,0,1|1,0,0]=3 413 B11R1.21 Cc1cnc(cc1Cl)C(=O)C AB83277 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.21 Cc1cnc(cc1Cl)C(=O)O AB65446 [0,1,0,0,0,1|1,0,0]=3 415 B11R1.21 Cc1cnc(cc1F)C(=O)C AB82953 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.21 Cc1cnc(cc1F)C(=O)O AB74895 [0,1,0,0,0,1|1,0,0]=3 417 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O PB12782 [0,1,0,0,0,1|1,0,0]=3 418 B11R1.21 Cn1cc(ccc1=O)C(=O)O PB21634 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.21 c1c(c(cnc1C(=O)O)Br)Cl AB67645 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.21 c1c(c(cnc1C(=O)O)Br)N PB21081 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.21 c1c(c(cnc1C(=O)O)Cl)Cl AB63131 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.21 c1c(c(cnc1C(=O)O)Cl)F AB74911 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.21 c1c(c(cnc1C(=O)O)Cl)N AB75270 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.21 c1c(c(cnc1C(=O)O)Cl)O AB74886 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.21 c1c(c(cnc1C(=O)O)F)Cl AB67663 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.21 c1c(c(cnc1C(=O)O)F)F AB73187 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.21 c1c(c(cnc1C(=O)O)N)Cl AB67747 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.21 c1c(c(cnc1C(=O)O)N)F AB73539 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.21 c1c(c(cnc1C(=O)O)O)Cl AB67787 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.21 c1c(nc(c(n1)N)Br)C(=O)O PB26120 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.21 c1c(nc(c(n1)N)I)C(=O)O PB37460 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.21 c1cc(nc(c1Cl)F)C(=O)O AB49341 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.21 c1cc(nc(c1Cl)N)C(=O)O AB74552 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O AB66795 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.21 c1cc(nc(c1F)F)C(=O)O AB49344 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.21 c1cc(nc(c1N)Cl)C(=O)O AB75268 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.21 c1cc(nc(c1O)Cl)C(=O)O AB64506 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.22 COC(=O)c1ccc(nn1)Br MB13587 [0,1,0,0,0,1|1,0,1]=4 443 B11R1.22 COC(=O)c1ccc(nn1)Cl PB18925 [0,1,0,0,0,1|1,0,1]=4 444 B11R1.22 COC(=O)c1ccc(nn1)N PB33362 [0,1,0,0,0,1|1,0,1]=4 445 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [0,1,0,0,0,1|1,0,1]=4 446 B11R1.22 COC(=O)c1cnc(cn1)Br MB08354 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.22 COC(=O)c1cnc(cn1)Cl PB33958 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.22 COC(=O)c1cnc(cn1)N PB12687 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.22 COC(=O)c1ncc(cn1)Br PB26634 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.22 COC(=O)c1ncc(cn1)N PB10524 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.22 COC(=O)c1ncc(cn1)N PB37109 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.22 Cc1cnc(nc1)C(=O)OC PB28603 [0,1,0,0,0,1|1,0,0]=3 454 B11R1.22 Cc1ncc(cn1)C(=O)OC PB10888 [0,1,0,0,0,1|1,0,1]=4 455 B11R1.166 Cc1c(cnc(n1)C)C(=O)O AB41920 [0,1,0,0,0,1|1,0,1]=4 456 B11R1.166 Cc1c(ncc(n1)Br)C(=O)O AB85708 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)O AB85679 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.166 Cc1cc(c(cn1)C(=O)O)Br AB66861 [0,1,0,0,0,1|1,0,1]=4 459 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl PB14950 [0,1,0,0,0,1|1,0,1]=4 460 B11R1.166 Cc1cc(c(cn1)C(=O)O)F AB66872 [0,1,0,0,0,1|1,0,1]=4 461 B11R1.166 Cc1cc(c(cn1)C(=O)O)N PB15110 [0,1,0,0,0,1|1,0,1]=4 462 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [0,1,0,0,0,1|1,0,1]=4 463 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.166 Cc1cc(c(nc1)C(=O)C)Cl AB75090 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.166 Cc1cc(c(nc1)C(=O)C)F AB75164 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.166 Cc1cc(c(nc1)C(=O)C)N AB77150 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.166 Cc1cc(c(nc1)C(=O)O)C AB53520 [0,1,0,0,0,1|1,0,0]=3 469 B11R1.166 Cc1cc(c(nc1)C(=O)O)Cl AB74925 [0,1,0,0,0,1|1,0,0]=3 470 B11R1.166 Cc1cc(c(nc1)C(=O)O)F PB30310 [0,1,0,0,0,1|1,0,0]=3 471 B11R1.166 Cc1cc(c(nc1)C(=O)O)N AB66555 [0,1,0,0,0,1|1,0,0]=3 472 B11R1.166 Cc1cc(cnc1C(=O)O)Br AB41227 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.166 Cc1cc(cnc1C(=O)O)Cl AB41233 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.166 Cc1cc(cnc1C(=O)O)F AB74795 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.166 Cc1cc(cnc1C(=O)O)N AB41220 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.166 Cc1cc(ncc1C(=O)O)C AB05232 [0,1,0,0,0,1|1,0,1]=4 477 B11R1.166 Cc1ccc(c(n1)Br)C(=O)O AB68156 [0,1,0,0,0,1|1,0,1]=4 478 B11R1.166 Cc1ccc(c(n1)C)C(=O)O AB27627 [0,1,0,0,0,1|1,0,1]=4 479 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O PB24611 [0,1,0,0,0,1|1,0,1]=4 480 B11R1.166 Cc1ccc(c(n1)N)C(=O)O PB33689 [0,1,0,0,0,1|1,0,1]=4 481 B11R1.166 Cc1cnc(c(n1)C)C(=O)O AB71826 [0,1,0,0,0,1|1,0,0]=3 482 B11R1.166 Cc1cnc(c(n1)O)C(=O)O AB48562 [0,1,0,0,0,1|1,0,0]=3 483 B11R1.166 Cc1nc(c(nn1)C(=O)O)O AB48555 [0,1,0,0,0,1|0,0,1]=3 484 B11R1.166 Cc1ncc(c(n1)Cl)C(=O)O AB56016 [0,1,0,0,0,1|1,0,1]=4 485 B11R1.166 Cc1ncc(c(n1)N)C(=O)O AB04459 [0,1,0,0,0,1|1,0,1]=4 486 B11R1.166 Cc1ncc(c(n1)O)C(=O)O AB48543 [0,1,0,0,0,1|1,0,1]=4 487 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br AB25162 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl AB13812 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.166 c1c(cnc(c1Cl)C(=O)O)F AB66800 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.166 c1c(cnc(c1Cl)C(=O)O)N AB73535 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.166 c1c(cnc(c1F)C(=O)O)Br PB15891 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.166 c1c(cnc(c1F)C(=O)O)Cl AB66361 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.166 c1c(cnc(c1F)C(=O)O)N AB73541 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.166 c1c(cnc(c1N)C(=O)O)Br PB25268 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB13238 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB25748 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.166 c1c(cnc(c1N)C(=O)O)N AB83569 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl PB29742 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.166 c1c(nc(c(n1)C(=O)O)N)Cl AB73168 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.23 COC(=O)c1cc(ncn1)Br MB14353 [0,1,0,0,0,1|1,0,1]=4 510 B11R1.23 COC(=O)c1cc(nnc1)Cl PB31801 [0,1,0,0,0,1|1,0,1]=4 511 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [0,1,0,0,0,1|1,0,1]=4 513 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [0,1,0,0,0,1|1,0,0]=3 514 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [0,1,0,0,0,1|0,0,1]=3 515 B11R1.74 Cc1cc(cc(c1)Br)C(=O)O AB12648 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.74 Cc1cc(cc(c1)C(=O)O)C AB00235 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.74 Cc1cc(cc(c1)Cl)C(=O)O AB62676 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.74 Cc1cc(cc(c1)F)C(=O)O AB13316 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.74 Cc1cc(cc(c1)I)C(=O)O AB62677 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.74 Cc1cc(cc(c1)N)C(=O)O AB04836 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.74 Cc1cc(cc(c1)O)C(=O)O AB52735 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.74 Cc1cc(cc(n1)Br)C(=O)O AB66859 [0,1,0,0,0,1|1,0,1]=4 523 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br AB40781 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl AB40799 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.74 Cc1cc(cc(n1)C(=O)O)F AB66868 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.74 Cc1cc(cc(n1)C(=O)O)I AB79386 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.74 Cc1cc(cc(n1)C(=O)O)N AB66550 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.74 Cc1cc(cc(n1)C(=O)O)O AB74941 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.74 Cc1cc(cc(n1)C)C(=O)O AB15854 [0,1,0,0,0,1|1,0,1]=4 530 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O PB14103 [0,1,0,0,0,1|1,0,1]=4 531 B11R1.74 Cc1cc(cc(n1)F)C(=O)O AB66869 [0,1,0,0,0,1|1,0,1]=4 532 B11R1.74 Cc1cc(cc(n1)I)C(=O)O AB79514 [0,1,0,0,0,1|1,0,1]=4 533 B11R1.74 Cc1cc(cc(n1)N)C(=O)O PB20783 [0,1,0,0,0,1|1,0,1]=4 534 B11R1.74 Cc1cc(cc(n1)O)C(=O)O AB12186 [0,1,0,0,0,1|1,0,1]=4 535 B11R1.74 Cc1cc(nc(c1)Br)C(=O)C AB79653 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.74 Cc1cc(nc(c1)Br)C(=O)O AB67817 [0,1,0,0,0,1|1,0,0]=3 537 B11R1.74 Cc1cc(nc(c1)C(=O)C)C AB31120 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.74 Cc1cc(nc(c1)C(=O)O)C AB17859 [0,1,0,0,0,1|1,0,0]=3 539 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)C AB75104 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O AB52811 [0,1,0,0,0,1|1,0,0]=3 541 B11R1.74 Cc1cc(nc(c1)F)C(=O)C AB79620 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.74 Cc1cc(nc(c1)F)C(=O)O AB67821 [0,1,0,0,0,1|1,0,0]=3 543 B11R1.74 Cc1cc(nc(c1)I)C(=O)C AB79670 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.74 Cc1cc(nc(c1)I)C(=O)O AB79260 [0,1,0,0,0,1|1,0,0]=3 545 B11R1.74 Cc1cc(nc(c1)N)C(=O)O AB67823 [0,1,0,0,0,1|1,0,0]=3 546 B11R1.74 Cc1cc(nc(c1)O)C(=O)C AB79873 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.74 Cc1cc(nc(c1)O)C(=O)O AB13099 [0,1,0,0,0,1|1,0,0]=3 548 B11R1.74 Cc1cc(nc(n1)Cl)C(=O)O AB07382 [0,1,0,0,0,1|0,0,1]=3 549 B11R1.74 c1c(cc(nc1C(=O)O)Br)Br AB68240 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.74 c1c(cc(nc1C(=O)O)Br)Cl AB67261 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.74 c1c(cc(nc1C(=O)O)Br)F AB68040 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.74 c1c(cc(nc1C(=O)O)Br)I AB79249 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.74 c1c(cc(nc1C(=O)O)Br)N AB67264 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.74 c1c(cc(nc1C(=O)O)Br)O AB79257 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Br AB67958 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.74 c1c(cc(nc1C(=O)O)Cl)Cl AB55079 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.74 c1c(cc(nc1C(=O)O)Cl)F AB68036 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.74 c1c(cc(nc1C(=O)O)Cl)I AB79242 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.74 c1c(cc(nc1C(=O)O)Cl)N AB67311 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.74 c1c(cc(nc1C(=O)O)Cl)O AB68127 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.74 c1c(cc(nc1C(=O)O)F)Br AB72835 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.74 c1c(cc(nc1C(=O)O)F)Cl AB74912 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.74 c1c(cc(nc1C(=O)O)F)F AB49324 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.74 c1c(cc(nc1C(=O)O)F)I AB79224 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.74 c1c(cc(nc1C(=O)O)F)N AB79232 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.74 c1c(cc(nc1C(=O)O)F)O AB79240 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.74 c1c(cc(nc1C(=O)O)I)Br AB79372 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.74 c1c(cc(nc1C(=O)O)I)Cl AB79366 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.74 c1c(cc(nc1C(=O)O)I)F AB79347 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.74 c1c(cc(nc1C(=O)O)I)N AB79262 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.74 c1c(cc(nc1C(=O)O)I)O AB79273 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.74 c1c(cc(nc1C(=O)O)N)Br AB71729 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.74 c1c(cc(nc1C(=O)O)N)Cl AB67977 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.74 c1c(cc(nc1C(=O)O)N)F AB79355 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.74 c1c(cc(nc1C(=O)O)N)I AB79390 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.74 c1c(cc(nc1C(=O)O)N)N AB79332 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.74 c1c(cc(nc1C(=O)O)N)O AB79330 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.74 c1c(cc(nc1C(=O)O)O)Br AB79382 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.74 c1c(cc(nc1C(=O)O)O)F AB79365 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.74 c1c(cc(nc1C(=O)O)O)I AB79403 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.74 c1c(cc(nc1C(=O)O)O)N AB79465 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.74 c1c(cc(nc1C(=O)O)O)O AB76498 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.74 c1c(nc(nc1Cl)Cl)C(=O)O AB12755 [0,1,0,0,0,1|1,0,1]=4 584 B11R1.159 Cc1c(c(ccn1)C(=O)O)Cl AB71251 [0,1,0,0,0,1|1,0,1]=4 585 B11R1.159 Cc1c(c(ccn1)C(=O)O)N AB70614 [0,1,0,0,0,1|1,0,1]=4 586 B11R1.159 Cc1c(ccnc1C(=O)O)Cl AB52815 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.159 Cc1c(ccnc1C(=O)O)F AB74897 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.159 Cc1c(cncc1Cl)C(=O)O AB41997 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.159 Cc1c(nccc1C(=O)O)C AB63167 [0,1,0,0,0,1|1,0,1]=4 590 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.159 Cc1ccnc(c1C)C(=O)C AB50233 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.159 Cc1ccnc(c1C)C(=O)O AB75404 [0,1,0,0,0,1|1,0,0]=3 593 B11R1.159 Cc1ccnc(c1Cl)C(=O)C AB83298 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.159 Cc1ccnc(c1Cl)C(=O)O AB74922 [0,1,0,0,0,1|1,0,0]=3 595 B11R1.159 Cc1ccnc(c1N)C(=O)C AB83869 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.159 Cc1ccnc(c1N)C(=O)O AB66557 [0,1,0,0,0,1|1,0,0]=3 597 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.159 Cc1cncc(c1C)C(=O)C AB75501 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.159 Cc1cncc(c1C)C(=O)O AB66692 [0,1,0,0,0,1|1,0,0]=3 600 B11R1.159 Cc1cncc(c1Cl)C(=O)C AB83264 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.159 Cc1cncc(c1Cl)C(=O)O AB74918 [0,1,0,0,0,1|1,0,0]=3 602 B11R1.159 Cc1cncc(c1F)C(=O)C AB75177 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.159 Cc1cncc(c1F)C(=O)O AB74900 [0,1,0,0,0,1|1,0,0]=3 604 B11R1.159 Cc1cncc(c1N)C(=O)C AB83808 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.159 Cc1cncc(c1N)C(=O)O AB75852 [0,1,0,0,0,1|1,0,0]=3 606 B11R1.159 Cc1cncc(c1O)C(=O)C AB84183 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O AB53577 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.159 c1c(c(c(cn1)Cl)F)C(=O)O AB74903 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O AB53579 [0,1,0,0,0,1|2,0,0]=4 610 B11R1.159 c1c(c(c(cn1)Cl)O)C(=O)O AB74884 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.159 c1c(c(c(cn1)F)Cl)C(=O)O AB74905 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.159 c1c(c(c(cn1)N)Cl)C(=O)O AB83881 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.159 c1c(c(c(cn1)N)N)C(=O)O AB83440 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.159 c1c(c(c(cn1)O)Cl)C(=O)O AB74891 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.159 c1cnc(c(c1Br)N)C(=O)O AB83572 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.159 c1cnc(c(c1Cl)Cl)C(=O)O AB10183 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.159 c1cnc(c(c1Cl)F)C(=O)O AB70765 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.159 c1cnc(c(c1Cl)N)C(=O)O AB83574 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.159 c1cnc(c(c1Cl)O)C(=O)O AB76139 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.159 c1cnc(c(c1F)Cl)C(=O)O AB74915 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.159 c1cnc(c(c1O)Cl)C(=O)O AB74889 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.167 Cc1c(cc(cn1)Br)C(=O)O AB64295 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.167 Cc1cc(c(cn1)Br)C(=O)O AB68165 [0,1,0,0,0,1|1,0,1]=4 624 B11R1.167 Cc1cc(c(cn1)C)C(=O)O AB65165 [0,1,0,0,0,1|1,0,1]=4 625 B11R1.167 Cc1cc(c(cn1)Cl)C(=O)O AB68149 [0,1,0,0,0,1|1,0,1]=4 626 B11R1.167 Cc1cc(c(cn1)N)C(=O)O PB22731 [0,1,0,0,0,1|1,0,1]=4 627 B11R1.167 Cc1cc(c(nc1)Br)C(=O)C AB85212 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O AB71098 [0,1,0,0,0,1|1,0,0]=3 629 B11R1.167 Cc1cc(c(nc1)C)C(=O)C AB82541 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.167 Cc1cc(c(nc1)C)C(=O)O AB74606 [0,1,0,0,0,1|1,0,0]=3 631 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)C AB70468 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O AB41816 [0,1,0,0,0,1|1,0,0]=3 633 B11R1.167 Cc1cc(c(nc1)F)C(=O)C AB64670 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.167 Cc1cc(c(nc1)F)C(=O)O AB64831 [0,1,0,0,0,1|1,0,0]=3 635 B11R1.167 Cc1cc(c(nc1)N)C(=O)C AB75421 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.167 Cc1cc(c(nc1)N)C(=O)O AB41822 [0,1,0,0,0,1|1,0,0]=3 637 B11R1.167 Cc1cc(c(nc1)O)C(=O)C AB84260 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.167 Cc1cc(c(nc1)O)C(=O)O CB11521 [0,1,0,0,0,1|1,0,0]=3 639 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O PB10028 [0,1,0,0,0,1|1,0,1]=4 640 B11R1.167 c1c(c(nnc1Cl)O)C(=O)O AB66294 [0,1,0,0,0,1|1,0,1]=4 641 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br PB10346 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.167 c1c(cnc(c1C(=O)O)Br)F AB64987 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br PB24830 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl AB10181 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F PB34056 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N PB10371 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.167 c1c(cnc(c1C(=O)O)F)Br PB12417 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl AB17585 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.167 c1c(cnc(c1C(=O)O)N)Br PB12952 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl AB53538 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.167 c1c(cnc(c1C(=O)O)N)F AB70295 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.167 c1c(cnc(c1C(=O)O)N)N AB76147 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.167 c1c(cnc(c1C(=O)O)O)Br PB32486 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl AB04751 [0,1,0,0,0,1|2,0,0]=4 655 B11R1.167 c1c(cnc(c1C(=O)O)O)F AB20976 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.266 CC(=O)c1cc(ccn1)OC AB60202 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.266 CC(=O)c1cc(cnc1)OC AB41130 [0,1,0,0,0,1|2,0,0]=4 658 B11R1.266 CC(=O)c1cc(ncn1)OC AB76963 [0,1,0,0,0,1|1,0,1]=4 659 B11R1.266 COc1cc(ccn1)C(=O)O PB21858 [0,1,0,0,0,1|1,0,1]=4 660 B11R1.266 COc1cc(cnc1)C(=O)O PB12749 [0,1,0,0,0,1|1,0,0]=3 661 B11R1.266 COc1ccnc(c1)C(=O)N AB07772 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.266 COc1ccnc(c1)C(=O)O AB20458 [0,1,0,0,0,1|1,0,0]=3 663 B11R1.266 COc1ccnc(c1)C(=O)O AB21831 [0,1,0,0,0,1|1,0,0]=3 664 B11R1.266 COc1cncc(n1)C(=O)O AB05020 [0,1,0,0,0,1|2,0,0]=4 665 B11R1.266 c1c(cncc1C(=O)O)C#N AB31370 [0,1,0,0,0,1|1,0,1]=4 666 B11R1.266 c1cnc(cc1C#N)C(=O)O AB49710 [0,1,0,0,0,1|1,0,1]=4 667 B11R1.266 c1cnc(cc1C(=O)O)CCl AB60022 [0,1,0,0,0,1|1,0,1]=4 668 B11R1.15 CCOC(=O)c1[nH]c(cn1)C AB53501 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.15 CCOC(=O)c1cc(no1)C CB11550 [0,2,0,0,0,0|1,0,1]=4 670 B11R1.15 CCOC(=O)c1cc(on1)C CB10213 [0,2,0,0,0,0|1,0,0]=3 671 B11R1.15 CCOC(=O)c1cn(cn1)C PB29816 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.15 CCOC(=O)c1nc(on1)C AB53913 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.15 CCOC(=O)c1ncc(o1)C AB53497 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.15 CCOC(=O)c1ncc(s1)C AB53493 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.15 CCOC(=O)c1nnc(o1)C AB48937 [0,2,0,0,0,0|1,0,1]=4 676 B11R1.44 COC(=O)c1cc(sc1)CN AB72617 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.226 Cn1c(cc(n1)C(=O)OC)N AB59765 [0,2,0,0,0,0|1,0,0]=3 678 B11R1.48 CCc1cc(nn1C)C(=O)O AB19578 [0,2,0,0,0,0|0,0,0]=2 679 B11R1.48 Cn1cc(nc1OC)C(=O)O AB66833 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.124 CCCc1cc(no1)C(=O)O AB22438 [0,2,0,0,0,0|1,0,0]=3 681 B11R1.124 CCOC1=NN=C(C1)C(=O)O AB53155 [0,2,0,0,0,0|0,0,2]=4 682 B11R1.175 CC(C)C1=NN=C(C1)C(=O)O AB11579 [0,2,0,0,0,0|0,0,2]=4 683 B11R1.175 CC(C)c1[nH]c(nn1)C(=O)O AB57430 [0,2,0,0,0,0|1,0,1]=4 684 B11R1.175 CC(C)c1cc(no1)C(=O)O AB28186 [0,2,0,0,0,0|1,0,0]=3 685 B11R1.175 CC(C)c1nnc(o1)C(=O)O AB56098 [0,2,0,0,0,0|1,0,1]=4 686 B11R1.175 CC(C)c1nnc(s1)C(=O)O AB72795 [0,2,0,0,0,0|1,0,1]=4 687 B11R1.175 CC(C)n1cc(nn1)C(=O)O AB71490 [0,2,0,0,0,0|1,0,1]=4 688 B11R1.672 Cc1c(c(nn1C)C(=O)N)N AB19567 [0,2,0,0,0,0|1,0,0]=3 689 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [0,0,1,1,0,0|0,0,2]=4 690 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,0,1,1,0,0|1,0,1]=4 691 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [0,0,1,1,0,0|2,0,0]=4 692 B9R1.2 Cc1cc(ccn1)C=O AB24827 [1,0,0,0,0,1|1,0,1]=4 693 B9R1.2 Cc1cc(cnc1)C=O PB18860 [1,0,0,0,0,1|1,0,0]=3 694 B9R1.2 Cc1cc(cnc1)CO PB10532 [1,0,0,0,0,1|1,0,1]=4 695 B9R1.2 Cc1cc(ncn1)CO PB11190 [1,0,0,0,0,1|0,0,2]=4 696 B9R1.2 Cc1ccnc(n1)C=O PB28177 [1,0,0,0,0,1|2,0,0]=4 697 B9R1.2 Cc1cncc(n1)C=O AB62637 [1,0,0,0,0,1|2,0,0]=4 698 B9R1.2 c1c(cncc1Br)C=O PB10234 [1,0,0,0,0,1|2,0,0]=4 699 B9R1.2 c1c(cncc1Cl)C=O PB29540 [1,0,0,0,0,1|2,0,0]=4 700 B9R1.2 c1c(cncc1F)C=O PB12469 [1,0,0,0,0,1|2,0,0]=4 701 B9R1.2 c1c(cncc1I)C=O AB45533 [1,0,0,0,0,1|2,0,0]=4 702 B9R1.2 c1c(cncc1N)C=O AB67741 [1,0,0,0,0,1|2,0,0]=4 703 B9R1.2 c1c(cncc1O)C=O AB67779 [1,0,0,0,0,1|2,0,0]=4 704 B9R1.2 c1c(ncnc1Cl)C=O AB58865 [1,0,0,0,0,1|1,0,1]=4 705 B9R1.2 c1c(ncnc1O)C=O AB58874 [1,0,0,0,0,1|1,0,1]=4 706 B9R1.2 c1cnc(cc1Br)C=O PB10584 [1,0,0,0,0,1|2,0,0]=4 707 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [1,0,0,0,0,1|2,0,0]=4 708 B9R1.2 c1cnc(cc1F)C=O AB68024 [1,0,0,0,0,1|2,0,0]=4 709 B9R1.2 c1cnc(cc1N)C=O AB68102 [1,0,0,0,0,1|2,0,0]=4 710 B9R1.2 c1cnc(cc1O)C=O AB68125 [1,0,0,0,0,1|2,0,0]=4 711 B9R1.13 c1cc(sc1)CC(=O)O PB27359 [1,0,0,0,0,1|2,0,0]=4 712 B9R1.13 c1cn(nn1)CC(=O)O AB16649 [1,0,0,0,0,1|1,0,1]=4 713 B9R1.13 c1csc(n1)CC(=O)O PB23269 [1,0,0,0,0,1|2,0,0]=4 714 B9R1.13 c1cscc1CC(=O)O PB28939 [1,0,0,0,0,1|2,0,0]=4 715 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [0,0,0,0,0,2|1,0,1]=4 716 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [0,0,0,0,0,2|1,0,0]=3 717 B11R1.20 Cc1cnc(cn1)CC(=O)O AB69910 [0,0,0,0,0,2|1,0,0]=3 718 B11R1.20 c1c(cnc(n1)CC(=O)O)Br PB16211 [0,0,0,0,0,2|2,0,0]=4 719 B11R1.20 c1c(cnc(n1)CC(=O)O)Cl AB59161 [0,0,0,0,0,2|2,0,0]=4 720 B11R1.20 c1c(cnc(n1)CC(=O)O)F AB68737 [0,0,0,0,0,2|2,0,0]=4 721 B11R1.20 c1c(ncc(n1)Cl)CC(=O)O AB69911 [0,0,0,0,0,2|2,0,0]=4 722 B11R1.20 c1cc(ncc1Br)CC(=O)O PB31471 [0,0,0,0,0,2|2,0,0]=4 723 B11R1.20 c1cc(ncc1F)CC(=O)O AB55200 [0,0,0,0,0,2|2,0,0]=4 724 B11R1.20 c1cc(ncc1I)CC(=O)O PB21451 [0,0,0,0,0,2|2,0,0]=4 725 B11R1.75 Cc1[nH]nc(n1)SCC(=O)O MB02671 [0,0,0,0,0,2|1,0,0]=3 726 B11R1.157 Cc1ccnc(c1)NC(=O)C AB05238 [0,0,0,0,0,2|2,0,0]=4 727 B11R1.157 Cc1ccnc(n1)CC(=O)O AB59182 [0,0,0,0,0,2|2,0,0]=4 728 B11R1.157 c1c(cncc1Br)CC(=O)O AB07359 [0,0,0,0,0,2|2,0,0]=4 729 B11R1.157 c1c(cncc1F)CC(=O)O PB22356 [0,0,0,0,0,2|2,0,0]=4