0 B9R1.69 C1=CC(=O)C(=CC1=O)Cl B21395 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 CC1=CC(=O)C=CC1=O 36670 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 Cc1c(=O)[nH]c(=O)[nH]n1 L06762 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 Cc1c(ccc(n1)Cl)F H64347 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.69 Cc1c(ccc(n1)N)F H64700 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 Cc1c(cnc(n1)N)Br H54186 [0,0,0,0,0,0|2,1,1]=4 6 B9R1.69 Cc1c[nH]c(=O)[nH]c1=O A15879 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.69 Cc1c[nH]c(=O)nc1N 43492 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.69 Cc1c[nH]c(=O)nc1N H60048 [0,0,0,0,0,0|1,0,2]=3 9 B9R1.69 Cc1c[nH]c(=S)[nH]c1=O L11983 [0,0,0,0,0,0|2,1,1]=4 10 B9R1.69 Cc1cc(ccc1F)Br A10721 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 Cc1cc(ccc1F)Cl L07615 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 Cc1cc(ccc1F)F B22544 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 Cc1cc(ccc1F)I L08396 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 Cc1cc(ccc1F)N A15482 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.69 Cc1cc(ccc1F)O L19897 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.69 Cc1cc(ccc1F)[Mg+] H54585 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 Cc1cc(ncc1Br)Br H30457 [0,0,0,0,0,0|3,1,0]=4 18 B9R1.69 Cc1cc(ncc1Br)F H61431 [0,0,0,0,0,0|3,1,0]=4 19 B9R1.69 Cc1cc(ncc1Br)N 44623 [0,0,0,0,0,0|3,1,0]=4 20 B9R1.69 Cc1cc(ncc1Br)O H64674 [0,0,0,0,0,0|2,1,1]=4 21 B9R1.69 Cc1cc(ncc1F)N H64815 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.69 Cc1cc(ncc1I)Br H27584 [0,0,0,0,0,0|3,1,0]=4 23 B9R1.69 Cc1cc(ncc1I)N H27089 [0,0,0,0,0,0|3,1,0]=4 24 B9R1.69 Cc1cc(ncc1N)Br H66957 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 Cc1cc(ncc1N)Cl H61115 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.69 Cc1cc(ncc1N)F H61617 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.69 Cc1ccc(c(c1)Br)F B21523 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.69 Cc1ccc(c(c1)Cl)F H63822 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.69 Cc1ccc(c(c1)F)F 41789 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.69 Cc1ccc(c(c1)N)Br H61639 [0,0,0,0,0,0|3,1,0]=4 31 B9R1.69 Cc1ccc(c(c1)N)C A12682 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.69 Cc1ccc(c(c1)N)Cl H26209 [0,0,0,0,0,0|3,1,0]=4 33 B9R1.69 Cc1ccc(c(c1)N)F L13411 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.69 Cc1ccc(c(c1)N)N B24378 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.69 Cc1ccc(c(c1)N)O A19546 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.69 Cc1ccc(c(c1)O)F B20275 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.69 Cc1ccc(c(n1)Br)F H64900 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.69 Cc1ccc(c(n1)Cl)F H64473 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.69 Cc1ccc(c(n1)F)F H64514 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.69 Cc1ccc(c(n1)N)Br H66162 [0,0,0,0,0,0|2,1,1]=4 41 B9R1.69 Cc1ccc(cc1N)Cl B21392 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.69 Cc1ccc(cc1N)F B25381 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.69 Cc1ccc(cc1N)I L07404 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.69 Cc1ccc(cc1N)N B23495 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.69 Cc1cnc(cc1Cl)Cl H61634 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.69 Cc1cnc(cc1I)F H64983 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.69 Cc1cnc(nc1Cl)Cl H55206 [0,0,0,0,0,0|3,0,1]=4 48 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)Br A14799 [0,0,0,0,0,0|1,1,1]=3 49 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)Cl A11084 [0,0,0,0,0,0|1,1,1]=3 50 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)F A13456 [0,0,0,0,0,0|1,0,1]=2 51 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)I A18994 [0,0,0,0,0,0|1,1,1]=3 52 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)N L04452 [0,0,0,0,0,0|2,0,1]=3 53 B9R1.69 c1c(c(cnc1Cl)Br)N H27674 [0,0,0,0,0,0|2,1,0]=3 54 B9R1.69 c1c(c(cnc1Cl)I)N H33926 [0,0,0,0,0,0|2,1,0]=3 55 B9R1.69 c1c(c(cnc1Cl)N)Cl H66282 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.69 c1c(c(nc(=O)[nH]1)N)F L16496 [0,0,0,0,0,0|0,0,2]=2 57 B9R1.69 c1c(c(nc(n1)Cl)Cl)Br B25365 [0,0,0,0,0,0|2,1,1]=4 58 B9R1.69 c1c(c(nc(n1)Cl)Cl)Cl L19506 [0,0,0,0,0,0|2,1,1]=4 59 B9R1.69 c1c(c(nc(n1)Cl)Cl)F H26288 [0,0,0,0,0,0|2,0,1]=3 60 B9R1.69 c1c(c(nc(n1)Cl)Cl)N H32606 [0,0,0,0,0,0|3,0,1]=4 61 B9R1.69 c1c(c(nc(n1)Cl)N)Br H61429 [0,0,0,0,0,0|1,1,1]=3 62 B9R1.69 c1c(c(nc(n1)Cl)N)F H55765 [0,0,0,0,0,0|1,0,1]=2 63 B9R1.69 c1c(c(nc(n1)O)N)Br H61952 [0,0,0,0,0,0|0,1,2]=3 64 B9R1.69 c1c(c(nc(n1)O)O)O B23320 [0,0,0,0,0,0|2,0,2]=4 65 B9R1.69 c1cc(c(cc1Br)Br)F B20955 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.69 c1cc(c(cc1Br)Br)F L20171 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.69 c1cc(c(cc1Br)Cl)F A19782 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.69 c1cc(c(cc1Br)F)F A11934 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.69 c1cc(c(cc1Br)N)Br A19114 [0,0,0,0,0,0|3,1,0]=4 70 B9R1.69 c1cc(c(cc1Br)N)Cl H64104 [0,0,0,0,0,0|3,1,0]=4 71 B9R1.69 c1cc(c(cc1Br)N)F H61678 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.69 c1cc(c(cc1Br)N)N H26929 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.69 c1cc(c(cc1Br)N)O H55763 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.69 c1cc(c(cc1Br)O)F H61518 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.69 c1cc(c(cc1Cl)Br)F H25935 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.69 c1cc(c(cc1Cl)Cl)F A17953 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.69 c1cc(c(cc1Cl)F)F A12924 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.69 c1cc(c(cc1Cl)N)Cl A11151 [0,0,0,0,0,0|3,1,0]=4 79 B9R1.69 c1cc(c(cc1Cl)N)F B20951 [0,0,0,0,0,0|3,0,0]=3 80 B9R1.69 c1cc(c(cc1Cl)N)I B25709 [0,0,0,0,0,0|3,1,0]=4 81 B9R1.69 c1cc(c(cc1Cl)N)N A10823 [0,0,0,0,0,0|4,0,0]=4 82 B9R1.69 c1cc(c(cc1Cl)N)O A10135 [0,0,0,0,0,0|4,0,0]=4 83 B9R1.69 c1cc(c(cc1Cl)N)S B25640 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.69 c1cc(c(cc1F)Br)F A12963 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.69 c1cc(c(cc1F)Cl)F A14178 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.69 c1cc(c(cc1F)F)F A11424 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.69 c1cc(c(cc1F)I)F H26890 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.69 c1cc(c(cc1F)N)Br B24901 [0,0,0,0,0,0|3,1,0]=4 89 B9R1.69 c1cc(c(cc1F)N)Cl B25618 [0,0,0,0,0,0|3,1,0]=4 90 B9R1.69 c1cc(c(cc1F)N)F A10272 [0,0,0,0,0,0|3,0,0]=3 91 B9R1.69 c1cc(c(cc1F)N)I L17723 [0,0,0,0,0,0|3,1,0]=4 92 B9R1.69 c1cc(c(cc1F)N)N A13977 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.69 c1cc(c(cc1F)N)O H26165 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.69 c1cc(c(cc1F)O)F A18744 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.69 c1cc(c(cc1F)[Zn+])F H58202 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.69 c1cc(c(cc1I)Cl)F A11808 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.69 c1cc(c(cc1I)F)F A11339 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.69 c1cc(c(cc1I)N)N H64469 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.69 c1cc(c(cc1N)Br)F B25610 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.69 c1cc(c(cc1N)Cl)F A11858 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.69 c1cc(c(cc1N)F)F A13999 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.69 c1cc(c(cc1N)N)Cl A15430 [0,0,0,0,0,0|3,1,0]=4 103 B9R1.69 c1cc(c(cc1N)N)F H61476 [0,0,0,0,0,0|3,0,0]=3 104 B9R1.69 c1cc(c(cc1N)N)N A17758 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.69 c1cc(c(cc1N)N)O A17697 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.69 c1cc(c(cc1N)O)F H33821 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.69 c1cc(c(cc1O)Br)F H61702 [0,0,0,0,0,0|3,0,1]=4 108 B9R1.69 c1cc(c(cc1O)Cl)F A14382 [0,0,0,0,0,0|3,0,1]=4 109 B9R1.69 c1cc(c(cc1O)F)F A12596 [0,0,0,0,0,0|3,0,1]=4 110 B9R1.69 c1cc(c(cc1O)N)Cl H55826 [0,0,0,0,0,0|2,1,1]=4 111 B9R1.69 c1cc(c(cc1O)N)F H61829 [0,0,0,0,0,0|2,0,1]=3 112 B9R1.69 c1cc(c(cc1O)O)F H60426 [0,0,0,0,0,0|3,0,1]=4 113 B9R1.69 c1cc(c(cc1S)Cl)F A10856 [0,0,0,0,0,0|3,1,0]=4 114 B9R1.69 c1cc(c(cc1S)F)F H60299 [0,0,0,0,0,0|3,1,0]=4 115 B9R1.69 c1cc(c(cc1[Mg+])Cl)F H54700 [0,0,0,0,0,0|4,0,0]=4 116 B9R1.69 c1cc(c(cc1[Mg+])F)F H54197 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.69 c1cc(c(cc1[Zn+])Cl)F H58698 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.69 c1cc(c(cc1[Zn+])F)F H58478 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.69 c1cc(nc(c1F)F)F L19540 [0,0,0,0,0,0|3,0,1]=4 120 B9R1.69 c1cc(nc(c1N)N)Cl H61716 [0,0,0,0,0,0|3,0,1]=4 121 B8R1.3 C1=CC(=O)C=CC1=O A13162 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.3 Cc1ccc(=O)[nH]n1 A14471 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.3 Cc1ccc(cc1)F A10365 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.3 Cc1ccc(cn1)Br H27085 [1,0,0,0,0,0|2,1,0]=4 125 B8R1.3 Cc1ccc(cn1)N H27431 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.3 Cc1ccc(cn1)O B25014 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.3 Cc1ccc(cn1)[Zn+] H58043 [1,0,0,0,0,0|3,0,0]=4 128 B8R1.3 Cc1ccc(nc1)Br B25083 [1,0,0,0,0,0|3,0,0]=4 129 B8R1.3 Cc1ccc(nc1)Cl H59145 [1,0,0,0,0,0|3,0,0]=4 130 B8R1.3 Cc1ccc(nc1)F L12241 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.3 Cc1ccc(nc1)N A13330 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.3 Cc1ccc(nc1)O L19528 [1,0,0,0,0,0|2,0,1]=4 133 B8R1.3 Cc1ccc(nc1)[Zn+] H58645 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.3 Cc1cnc(nc1)Br H66877 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.3 Cc1cnc(nc1)Cl H64773 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.3 Cc1ncc(cn1)Br H66467 [1,0,0,0,0,0|1,1,1]=4 137 B8R1.3 c1c(cnc(n1)Cl)Br L18360 [1,0,0,0,0,0|1,1,1]=4 138 B8R1.3 c1c(cnc(n1)Cl)Cl H64066 [1,0,0,0,0,0|1,1,1]=4 139 B8R1.3 c1c(cnc(n1)Cl)F H55055 [1,0,0,0,0,0|1,0,1]=3 140 B8R1.3 c1c(cnc(n1)Cl)I H63423 [1,0,0,0,0,0|1,1,1]=4 141 B8R1.3 c1c(cnc(n1)F)Br H27795 [1,0,0,0,0,0|1,1,1]=4 142 B8R1.3 c1c(cnc(n1)I)Br L17453 [1,0,0,0,0,0|1,1,1]=4 143 B8R1.3 c1c(cnc(n1)I)Cl H64185 [1,0,0,0,0,0|1,1,1]=4 144 B8R1.3 c1c(cnc(n1)N)Br H27291 [1,0,0,0,0,0|1,1,1]=4 145 B8R1.3 c1c(cnc(n1)N)Cl L19248 [1,0,0,0,0,0|1,1,1]=4 146 B8R1.3 c1c(cnc(n1)N)I B22705 [1,0,0,0,0,0|1,1,1]=4 147 B8R1.3 c1c(cnc(n1)O)Br L18347 [1,0,0,0,0,0|0,1,2]=4 148 B8R1.3 c1cc(ccc1F)Br A11630 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.3 c1cc(ccc1F)Cl A13690 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.3 c1cc(ccc1F)F A16217 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.3 c1cc(ccc1F)I A12008 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.3 c1cc(ccc1F)S A17600 [1,0,0,0,0,0|2,1,0]=4 153 B8R1.3 c1cc(ccc1F)[Mg+] H51169 [1,0,0,0,0,0|3,0,0]=4 154 B8R1.3 c1cc(ccc1F)[Zn+] H58780 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.3 c1cc(ccc1N)F A15597 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.3 c1cc(ccc1O)F A11945 [1,0,0,0,0,0|2,0,1]=4 157 B8R1.3 c1cc(n[nH]c1=O)Cl H61837 [1,0,0,0,0,0|2,1,0]=4 158 B8R1.3 c1cc(ncc1Br)Br A10937 [1,0,0,0,0,0|2,1,0]=4 159 B8R1.3 c1cc(ncc1Br)Cl B24862 [1,0,0,0,0,0|2,1,0]=4 160 B8R1.3 c1cc(ncc1Br)F L19537 [1,0,0,0,0,0|2,1,0]=4 161 B8R1.3 c1cc(ncc1Br)I L19610 [1,0,0,0,0,0|2,1,0]=4 162 B8R1.3 c1cc(ncc1Br)N A14280 [1,0,0,0,0,0|2,1,0]=4 163 B8R1.3 c1cc(ncc1Br)O B25267 [1,0,0,0,0,0|1,1,1]=4 164 B8R1.3 c1cc(ncc1Cl)Br H64367 [1,0,0,0,0,0|2,1,0]=4 165 B8R1.3 c1cc(ncc1Cl)Cl A15442 [1,0,0,0,0,0|2,1,0]=4 166 B8R1.3 c1cc(ncc1Cl)F H26945 [1,0,0,0,0,0|2,1,0]=4 167 B8R1.3 c1cc(ncc1Cl)I H64339 [1,0,0,0,0,0|2,1,0]=4 168 B8R1.3 c1cc(ncc1Cl)N A12063 [1,0,0,0,0,0|2,1,0]=4 169 B8R1.3 c1cc(ncc1Cl)O A11914 [1,0,0,0,0,0|1,1,1]=4 170 B8R1.3 c1cc(ncc1F)Br L19536 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.3 c1cc(ncc1F)Cl H27462 [1,0,0,0,0,0|2,0,0]=3 172 B8R1.3 c1cc(ncc1F)F H31130 [1,0,0,0,0,0|2,0,0]=3 173 B8R1.3 c1cc(ncc1F)N L20010 [1,0,0,0,0,0|2,0,0]=3 174 B8R1.3 c1cc(ncc1I)Br L20016 [1,0,0,0,0,0|2,1,0]=4 175 B8R1.3 c1cc(ncc1I)Cl B25271 [1,0,0,0,0,0|2,1,0]=4 176 B8R1.3 c1cc(ncc1I)F L20041 [1,0,0,0,0,0|2,1,0]=4 177 B8R1.3 c1cc(ncc1I)I L20118 [1,0,0,0,0,0|2,1,0]=4 178 B8R1.3 c1cc(ncc1I)N B25175 [1,0,0,0,0,0|2,1,0]=4 179 B8R1.3 c1cc(ncc1I)O L20044 [1,0,0,0,0,0|1,1,1]=4 180 B8R1.3 c1cc(ncc1N)Br L20008 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.3 c1cc(ncc1N)Cl B25336 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.3 c1cc(ncc1N)F H30872 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.3 c1cc(ncc1N)I H27793 [1,0,0,0,0,0|3,0,0]=4 184 B8R1.3 c1cc(ncc1N)N L05599 [1,0,0,0,0,0|3,0,0]=4 185 B8R1.3 c1cc(ncc1N)O H27961 [1,0,0,0,0,0|2,0,1]=4 186 B8R1.3 c1cc(ncc1O)Br H27228 [1,0,0,0,0,0|3,0,0]=4 187 B8R1.3 c1cc(ncc1O)Cl L17701 [1,0,0,0,0,0|3,0,0]=4 188 B8R1.3 c1cc(ncc1O)F H27741 [1,0,0,0,0,0|3,0,0]=4 189 B8R1.3 c1cc(ncc1[Zn+])Cl H58537 [1,0,0,0,0,0|3,0,0]=4 190 B8R1.4 Cc1cc(ccn1)Br H27884 [1,0,0,0,0,0|3,0,0]=4 191 B8R1.4 Cc1cc(ccn1)Cl B24719 [1,0,0,0,0,0|3,0,0]=4 192 B8R1.4 Cc1cc(ccn1)Cl H64093 [1,0,0,0,0,0|3,0,0]=4 193 B8R1.4 Cc1cc(ccn1)F H64284 [1,0,0,0,0,0|3,0,0]=4 194 B8R1.4 Cc1cc(ccn1)N H55036 [1,0,0,0,0,0|2,0,0]=3 195 B8R1.4 Cc1cc(ncn1)N H66832 [1,0,0,0,0,0|3,0,0]=4 196 B8R1.4 Cc1cccc(c1)N A14058 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.4 Cc1cccc(n1)N A10444 [1,0,0,0,0,0|2,0,1]=4 198 B8R1.4 Cc1ccnc(c1)Br B25253 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.4 Cc1ccnc(c1)C B22913 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.4 Cc1ccnc(c1)Cl H60607 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.4 Cc1ccnc(c1)F L01602 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.4 Cc1ccnc(c1)N A14177 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.4 Cc1ccnc(c1)O L16188 [1,0,0,0,0,0|2,0,1]=4 204 B8R1.4 Cc1ccnc(n1)Br H54503 [1,0,0,0,0,0|2,0,1]=4 205 B8R1.4 Cc1ccnc(n1)Cl H31903 [1,0,0,0,0,0|2,0,1]=4 206 B8R1.4 Cc1ccnc(n1)N A16081 [1,0,0,0,0,0|2,0,1]=4 207 B8R1.4 Cc1ccnc(n1)O B22255 [1,0,0,0,0,0|1,0,2]=4 208 B8R1.4 Cc1ccnc(n1)S A13145 [1,0,0,0,0,0|1,1,1]=4 209 B8R1.4 c1[nH]c(=O)nc(n1)N A13410 [1,0,0,0,0,0|1,0,2]=4 210 B8R1.4 c1c(=O)[nH]c(=O)[nH]n1 A14389 [1,0,0,0,0,0|2,0,1]=4 211 B8R1.4 c1c(ncnc1Cl)N H50551 [1,0,0,0,0,0|3,0,0]=4 212 B8R1.4 c1c(ncnc1O)N L03825 [1,0,0,0,0,0|2,0,1]=4 213 B8R1.4 c1c[nH]c(=O)[nH]c1=O A15570 [1,0,0,0,0,0|1,0,1]=3 214 B8R1.4 c1c[nH]c(=O)[nH]c1=S H61919 [1,0,0,0,0,0|1,0,1]=3 215 B8R1.4 c1c[nH]c(=O)nc1N A14731 [1,0,0,0,0,0|0,0,2]=3 216 B8R1.4 c1c[nH]c(=S)[nH]c1=O A18119 [1,0,0,0,0,0|1,1,1]=4 217 B8R1.4 c1cc(cc(c1)Br)N A13665 [1,0,0,0,0,0|3,0,0]=4 218 B8R1.4 c1cc(cc(c1)Cl)N A12019 [1,0,0,0,0,0|3,0,0]=4 219 B8R1.4 c1cc(cc(c1)Cl)N L13484 [1,0,0,0,0,0|3,0,0]=4 220 B8R1.4 c1cc(cc(c1)F)N A14228 [1,0,0,0,0,0|3,0,0]=4 221 B8R1.4 c1cc(cc(c1)I)N L01159 [1,0,0,0,0,0|3,0,0]=4 222 B8R1.4 c1cc(cc(c1)N)N A15339 [1,0,0,0,0,0|3,0,0]=4 223 B8R1.4 c1cc(cc(c1)O)N A11943 [1,0,0,0,0,0|2,0,1]=4 224 B8R1.4 c1cc(cc(c1)S)N B25473 [1,0,0,0,0,0|2,1,0]=4 225 B8R1.4 c1cc(nc(c1)Br)N H26555 [1,0,0,0,0,0|2,0,1]=4 226 B8R1.4 c1cc(nc(c1)Cl)N L19836 [1,0,0,0,0,0|2,0,1]=4 227 B8R1.4 c1cc(nc(c1)F)N H30629 [1,0,0,0,0,0|2,0,1]=4 228 B8R1.4 c1cc(nc(c1)N)N A12295 [1,0,0,0,0,0|2,0,1]=4 229 B8R1.4 c1cnc([nH]c1=O)N H54228 [1,0,0,0,0,0|2,0,0]=3 230 B8R1.4 c1cnc(cc1Br)Br L20038 [1,0,0,0,0,0|3,0,0]=4 231 B8R1.4 c1cnc(cc1Br)Cl H27299 [1,0,0,0,0,0|3,0,0]=4 232 B8R1.4 c1cnc(cc1Br)F H27657 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.4 c1cnc(cc1Br)N H31500 [1,0,0,0,0,0|3,0,0]=4 234 B8R1.4 c1cnc(cc1Br)O H32067 [1,0,0,0,0,0|2,0,1]=4 235 B8R1.4 c1cnc(cc1Cl)Br H33698 [1,0,0,0,0,0|3,0,0]=4 236 B8R1.4 c1cnc(cc1Cl)Cl L20040 [1,0,0,0,0,0|3,0,0]=4 237 B8R1.4 c1cnc(cc1Cl)F H64557 [1,0,0,0,0,0|3,0,0]=4 238 B8R1.4 c1cnc(cc1Cl)N H59130 [1,0,0,0,0,0|3,0,0]=4 239 B8R1.4 c1cnc(cc1Cl)O H29250 [1,0,0,0,0,0|2,0,1]=4 240 B8R1.4 c1cnc(cc1F)Br H64785 [1,0,0,0,0,0|3,0,0]=4 241 B8R1.4 c1cnc(cc1F)Cl L20023 [1,0,0,0,0,0|3,0,0]=4 242 B8R1.4 c1cnc(cc1F)F H32124 [1,0,0,0,0,0|3,0,0]=4 243 B8R1.4 c1cnc(cc1F)N H64233 [1,0,0,0,0,0|3,0,0]=4 244 B8R1.4 c1cnc(cc1I)Br L20015 [1,0,0,0,0,0|3,0,0]=4 245 B8R1.4 c1cnc(cc1I)Cl L19623 [1,0,0,0,0,0|3,0,0]=4 246 B8R1.4 c1cnc(cc1I)F H27517 [1,0,0,0,0,0|3,0,0]=4 247 B8R1.4 c1cnc(cc1N)Br L20007 [1,0,0,0,0,0|2,0,0]=3 248 B8R1.4 c1cnc(cc1N)Cl B22098 [1,0,0,0,0,0|2,0,0]=3 249 B8R1.4 c1cnc(cc1O)Cl H27549 [1,0,0,0,0,0|3,0,0]=4 250 B8R1.4 c1cnc(cc1O)F H31697 [1,0,0,0,0,0|3,0,0]=4 251 B8R1.4 c1cnc(cc1O)N H64836 [1,0,0,0,0,0|3,0,0]=4 252 B8R1.4 c1cnc(cc1O)O A13566 [1,0,0,0,0,0|2,0,1]=4 253 B8R1.4 c1cnc(nc1Br)Br H27433 [1,0,0,0,0,0|2,0,1]=4 254 B8R1.4 c1cnc(nc1Br)Cl H64753 [1,0,0,0,0,0|2,0,1]=4 255 B8R1.4 c1cnc(nc1Br)N H64358 [1,0,0,0,0,0|2,0,1]=4 256 B8R1.4 c1cnc(nc1Cl)Cl A15131 [1,0,0,0,0,0|2,0,1]=4 257 B8R1.4 c1cnc(nc1Cl)N H55007 [1,0,0,0,0,0|2,0,1]=4 258 B8R1.4 c1cnc(nc1N)Cl H55875 [1,0,0,0,0,0|1,0,1]=3 259 B8R1.5 Cc1c(cccn1)F H64705 [1,0,0,0,0,0|2,0,1]=4 260 B8R1.5 Cc1ccc[nH]c1=O A12700 [1,0,0,0,0,0|3,0,0]=4 261 B8R1.5 Cc1ccccc1F A16912 [1,0,0,0,0,0|3,0,0]=4 262 B8R1.5 Cc1ccccc1N A13602 [1,0,0,0,0,0|3,0,0]=4 263 B8R1.5 Cc1cccnc1N A10224 [1,0,0,0,0,0|2,0,1]=4 264 B8R1.5 Cc1ccncc1Br L19622 [1,0,0,0,0,0|2,1,0]=4 265 B8R1.5 Cc1ccncc1C L03489 [1,0,0,0,0,0|3,0,0]=4 266 B8R1.5 Cc1ccncc1Cl H61626 [1,0,0,0,0,0|2,1,0]=4 267 B8R1.5 Cc1ccncc1F H64747 [1,0,0,0,0,0|2,0,0]=3 268 B8R1.5 Cc1ccncc1N L19730 [1,0,0,0,0,0|3,0,0]=4 269 B8R1.5 Cc1cnccc1Cl L19558 [1,0,0,0,0,0|3,0,0]=4 270 B8R1.5 Cc1cnccc1O H32265 [1,0,0,0,0,0|3,0,0]=4 271 B8R1.5 c1c(c(ncn1)Br)F H33994 [1,0,0,0,0,0|1,0,1]=3 272 B8R1.5 c1c(c(ncn1)Cl)N H66671 [1,0,0,0,0,0|2,0,1]=4 273 B8R1.5 c1c(c(ncn1)N)Br H64335 [1,0,0,0,0,0|0,1,1]=3 274 B8R1.5 c1c(c(ncn1)O)I H61190 [1,0,0,0,0,0|1,1,1]=4 275 B8R1.5 c1cc(c(nc1)Br)F H31981 [1,0,0,0,0,0|2,0,1]=4 276 B8R1.5 c1cc(c(nc1)Cl)F L20022 [1,0,0,0,0,0|2,0,1]=4 277 B8R1.5 c1cc(c(nc1)F)F H25771 [1,0,0,0,0,0|2,0,1]=4 278 B8R1.5 c1cc(c(nc1)N)Br L20006 [1,0,0,0,0,0|1,1,1]=4 279 B8R1.5 c1cc(c(nc1)N)Cl H30166 [1,0,0,0,0,0|1,1,1]=4 280 B8R1.5 c1cc(c(nc1)N)F H31970 [1,0,0,0,0,0|1,0,1]=3 281 B8R1.5 c1cc(c(nc1)N)I H50001 [1,0,0,0,0,0|1,1,1]=4 282 B8R1.5 c1cc(c(nc1)N)N A14618 [1,0,0,0,0,0|2,0,1]=4 283 B8R1.5 c1cc(c(nc1)N)O A10665 [1,0,0,0,0,0|2,0,1]=4 284 B8R1.5 c1cc(c(nc1)O)F H31705 [1,0,0,0,0,0|2,0,1]=4 285 B8R1.5 c1ccc(c(c1)F)Br A10635 [1,0,0,0,0,0|3,0,0]=4 286 B8R1.5 c1ccc(c(c1)F)Cl B21209 [1,0,0,0,0,0|3,0,0]=4 287 B8R1.5 c1ccc(c(c1)F)F A10377 [1,0,0,0,0,0|3,0,0]=4 288 B8R1.5 c1ccc(c(c1)F)I A12411 [1,0,0,0,0,0|3,0,0]=4 289 B8R1.5 c1ccc(c(c1)F)S B24995 [1,0,0,0,0,0|3,0,0]=4 290 B8R1.5 c1ccc(c(c1)F)[Zn+] H58066 [1,0,0,0,0,0|3,0,0]=4 291 B8R1.5 c1ccc(c(c1)N)Br A11788 [1,0,0,0,0,0|2,1,0]=4 292 B8R1.5 c1ccc(c(c1)N)Cl A15758 [1,0,0,0,0,0|2,1,0]=4 293 B8R1.5 c1ccc(c(c1)N)Cl L13483 [1,0,0,0,0,0|2,1,0]=4 294 B8R1.5 c1ccc(c(c1)N)F A12612 [1,0,0,0,0,0|2,0,0]=3 295 B8R1.5 c1ccc(c(c1)N)I A13059 [1,0,0,0,0,0|2,1,0]=4 296 B8R1.5 c1ccc(c(c1)N)N A11946 [1,0,0,0,0,0|3,0,0]=4 297 B8R1.5 c1ccc(c(c1)N)N J60354 [1,0,0,0,0,0|3,0,0]=4 298 B8R1.5 c1ccc(c(c1)N)O A13735 [1,0,0,0,0,0|3,0,0]=4 299 B8R1.5 c1ccc(c(c1)N)S A18952 [1,0,0,0,0,0|3,0,0]=4 300 B8R1.5 c1ccc(c(c1)O)F A14979 [1,0,0,0,0,0|3,0,0]=4 301 B8R1.5 c1cncc(c1Cl)Cl H63749 [1,0,0,0,0,0|2,1,0]=4 302 B8R1.5 c1cncc(c1Cl)F H27184 [1,0,0,0,0,0|2,0,0]=3 303 B8R1.5 c1cncc(c1Cl)N L19726 [1,0,0,0,0,0|3,0,0]=4 304 B8R1.5 c1cncc(c1I)Br H34203 [1,0,0,0,0,0|2,1,0]=4 305 B8R1.5 c1cncc(c1I)Cl H63866 [1,0,0,0,0,0|2,1,0]=4 306 B8R1.5 c1cncc(c1I)F H50068 [1,0,0,0,0,0|2,0,0]=3 307 B8R1.5 c1cncc(c1I)N H50023 [1,0,0,0,0,0|3,0,0]=4 308 B8R1.5 c1cncc(c1N)Br L19521 [1,0,0,0,0,0|1,1,0]=3 309 B8R1.5 c1cncc(c1N)Cl H31093 [1,0,0,0,0,0|1,1,0]=3 310 B8R1.5 c1cncc(c1N)F H32949 [1,0,0,0,0,0|1,0,0]=2 311 B8R1.5 c1cncc(c1N)I H50027 [1,0,0,0,0,0|1,1,0]=3 312 B8R1.5 c1cncc(c1N)N A12465 [1,0,0,0,0,0|2,0,0]=3 313 B8R1.5 c1cncc(c1N)O H35280 [1,0,0,0,0,0|2,0,0]=3 314 B8R1.5 c1cncc(c1O)Br H33754 [1,0,0,0,0,0|2,1,0]=4 315 B8R1.5 c1cncc(c1O)Cl H64783 [1,0,0,0,0,0|2,1,0]=4 316 B8R1.5 c1cncc(c1O)N H27205 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.22 C1(=O)C(=O)NC(=O)NC1=O A15324 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.22 Cc1c(c(nc(n1)C)N)Cl B22499 [0,1,0,0,0,0|1,1,1]=4 319 B10R1.22 c1(c(nc(nc1F)F)F)F H32453 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.22 c1(c(nc(nc1N)N)N)N A18788 [0,1,0,0,0,0|2,0,1]=4 321 B10R1.22 c1(c(nc(nc1O)N)N)N B21989 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.22 c1c(c(c(nc1F)F)Cl)N H33905 [0,1,0,0,0,0|2,1,0]=4 323 B10R1.22 c1c(c(c(nc1F)F)F)F L19545 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.22 c1c(cc(c(c1N)F)F)F H26831 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.25 C=Cc1c[nH]c(=O)[nH]c1=O 44379 [0,1,0,0,0,0|2,0,1]=4 326 B10R1.25 CCc1c[nH]c(=O)[nH]c1=O L10861 [0,1,0,0,0,0|2,0,1]=4 327 B10R1.25 Cc1ncc(c(n1)N)C#N H61344 [0,1,0,0,0,0|2,0,1]=4 328 B10R1.25 c1c(c(=O)[nH]c(=O)[nH]1)C#N L08490 [0,1,0,0,0,0|2,0,1]=4 329 B10R1.25 c1c(c(=O)[nH]c(=O)[nH]1)C=O H51098 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.25 c1c(c(=O)[nH]c(=O)[nH]1)CCl 44639 [0,1,0,0,0,0|1,1,1]=4 331 B10R1.25 c1c(c(=O)[nH]c(=O)[nH]1)CO L01682 [0,1,0,0,0,0|2,0,1]=4 332 B10R1.25 c1c(c(nc(n1)Br)N)C#N H52776 [0,1,0,0,0,0|2,0,1]=4 333 B10R1.25 c1c(c(nc(n1)Cl)N)C#N 43952 [0,1,0,0,0,0|2,0,1]=4 334 B10R1.30 Cc1ccc(c(c1)CN)F H26652 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.30 c1cc(c(cc1Br)CN)F B25176 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.30 c1cc(c(cc1Cl)CN)F L19145 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.30 c1cc(c(cc1F)CN)F A16530 [0,1,0,0,0,0|3,0,0]=4 338 B10R1.30 c1cc(c(cc1F)NN)F B21259 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.30 c1cc(c(cc1F)NN)F L10359 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.118 c1c(c(cc(c1Cl)Cl)F)N H59506 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.118 c1c(c(cc(c1F)Br)F)N B24457 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.118 c1c(c(cc(c1F)F)F)N A16765 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.118 c1c(c(cc(c1O)F)F)N H32479 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.118 c1c(c(nc(c1F)N)N)F H30365 [0,1,0,0,0,0|2,0,1]=4 345 B10R1.119 Cc1ccc(c(c1Cl)N)F H26312 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.119 Cc1ccc(c(c1F)N)F H26656 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.119 c1c(c(c(c(n1)Br)Br)N)Br H27692 [0,1,0,0,0,0|2,1,0]=4 348 B10R1.119 c1cc(c(c(c1F)N)Cl)Cl H31673 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.119 c1cc(c(c(c1F)N)Cl)F H26822 [0,1,0,0,0,0|3,0,0]=4 350 B10R1.119 c1cc(c(c(c1F)N)F)Br H62609 [0,1,0,0,0,0|3,0,0]=4 351 B10R1.119 c1cc(c(c(c1F)N)F)Cl H26565 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.119 c1cc(c(c(c1F)N)F)F B20475 [0,1,0,0,0,0|3,0,0]=4 353 B10R1.176 Cc1cc(ccc1F)C=O B23526 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.176 c1cc(c(cc1C#N)N)F H34336 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.176 c1cc(c(cc1C=O)Br)F A15198 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.176 c1cc(c(cc1C=O)Cl)F A19923 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.176 c1cc(c(cc1C=O)F)F A14028 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.176 c1cc(c(cc1C=O)I)F H33615 [0,1,0,0,0,0|3,0,0]=4 359 B8R1.18 CC1=CC(=O)OC1=O L05238 [0,0,0,0,1,0|3,0,0]=4 360 B8R1.18 Cc1[nH]c(c(n1)Cl)Cl B20667 [0,0,0,0,1,0|2,1,0]=4 361 B8R1.18 c1(c(nc([nH]1)Br)Br)Br L05716 [0,0,0,0,1,0|2,1,0]=4 362 B8R1.18 c1(c(nc([nH]1)Br)Cl)Cl A14896 [0,0,0,0,1,0|2,1,0]=4 363 B8R1.50 Cn1c(c(cn1)Br)N L11620 [0,0,0,0,1,0|2,1,0]=4 364 B8R1.50 Cn1c(c(cn1)N)N H61986 [0,0,0,0,1,0|3,0,0]=4 365 B7R0.6 C(=C\C(=O)N)/C(=O)N B25200 [1,0,1,0,0,0|2,0,0]=4 366 B7R1.3 Cc1ccccn1 A10847 [2,0,0,0,0,0|2,0,0]=4 367 B7R1.3 Cc1cccnc1 A14012 [2,0,0,0,0,0|2,0,0]=4 368 B7R1.3 Cc1ccncc1 A15595 [2,0,0,0,0,0|2,0,0]=4 369 B7R1.3 Cc1ccncn1 A13170 [2,0,0,0,0,0|1,0,1]=4 370 B7R1.3 Cc1cncnc1 L19638 [2,0,0,0,0,0|1,0,1]=4 371 B7R1.3 c1c(cncn1)Br L14172 [2,0,0,0,0,0|0,1,1]=4 372 B7R1.3 c1c(cncn1)[Zn+] H58089 [2,0,0,0,0,0|1,0,1]=4 373 B7R1.3 c1c[nH]cnc1=O H64690 [2,0,0,0,0,0|2,0,0]=4 374 B7R1.3 c1cc(=O)[nH]nc1 H55334 [2,0,0,0,0,0|2,0,0]=4 375 B7R1.3 c1cc(cnc1)Br A12894 [2,0,0,0,0,0|1,1,0]=4 376 B7R1.3 c1cc(cnc1)Cl B24316 [2,0,0,0,0,0|1,1,0]=4 377 B7R1.3 c1cc(cnc1)F A11693 [2,0,0,0,0,0|1,0,0]=3 378 B7R1.3 c1cc(cnc1)I B23225 [2,0,0,0,0,0|1,1,0]=4 379 B7R1.3 c1cc(cnc1)N A13216 [2,0,0,0,0,0|2,0,0]=4 380 B7R1.3 c1cc(cnc1)O A13910 [2,0,0,0,0,0|2,0,0]=4 381 B7R1.3 c1cc(cnc1)[Zn+] H58498 [2,0,0,0,0,0|2,0,0]=4 382 B7R1.3 c1ccc(cc1)F A14384 [2,0,0,0,0,0|2,0,0]=4 383 B7R1.3 c1ccc(cc1)N 36238 [2,0,0,0,0,0|2,0,0]=4 384 B7R1.3 c1ccc(cc1)N A13024 [2,0,0,0,0,0|2,0,0]=4 385 B7R1.3 c1ccc(cc1)N A14443 [2,0,0,0,0,0|2,0,0]=4 386 B7R1.3 c1ccc(cc1)N A15563 [2,0,0,0,0,0|2,0,0]=4 387 B7R1.3 c1ccnc(c1)Br A13241 [2,0,0,0,0,0|2,0,0]=4 388 B7R1.3 c1ccnc(c1)Cl A14866 [2,0,0,0,0,0|2,0,0]=4 389 B7R1.3 c1ccnc(c1)F A11627 [2,0,0,0,0,0|2,0,0]=4 390 B7R1.3 c1ccnc(c1)I H63062 [2,0,0,0,0,0|2,0,0]=4 391 B7R1.3 c1ccnc(c1)N A12374 [2,0,0,0,0,0|1,0,1]=4 392 B7R1.3 c1ccnc(c1)O A14522 [2,0,0,0,0,0|1,0,1]=4 393 B7R1.3 c1ccnc(c1)S A11741 [2,0,0,0,0,0|1,1,0]=4 394 B7R1.3 c1ccnc(c1)[Zn+] H58544 [2,0,0,0,0,0|2,0,0]=4 395 B7R1.3 c1cnc(nc1)Br A13791 [2,0,0,0,0,0|1,0,1]=4 396 B7R1.3 c1cnc(nc1)Cl A15394 [2,0,0,0,0,0|1,0,1]=4 397 B7R1.3 c1cnc(nc1)N B24594 [2,0,0,0,0,0|1,0,1]=4 398 B7R1.3 c1cnc(nc1)O A13732 [2,0,0,0,0,0|0,0,2]=4 399 B7R1.3 c1cnc(nc1)S A13382 [2,0,0,0,0,0|0,1,1]=4 400 B7R1.3 c1cnc[nH]c1=O A10859 [2,0,0,0,0,0|1,0,0]=3 401 B7R1.3 c1cnccc1Br L07052 [2,0,0,0,0,0|2,0,0]=4 402 B7R1.3 c1cnccc1Cl A15628 [2,0,0,0,0,0|2,0,0]=4 403 B7R1.3 c1cnccc1I B25459 [2,0,0,0,0,0|2,0,0]=4 404 B7R1.3 c1cnccc1N A12405 [2,0,0,0,0,0|1,0,0]=3 405 B7R1.3 c1cnccc1O A14586 [2,0,0,0,0,0|2,0,0]=4 406 B7R1.3 c1cncnc1N H27367 [2,0,0,0,0,0|0,0,1]=3 407 B9R1.1 COc1ccc(cn1)F H30991 [1,1,0,0,0,0|1,0,1]=4 408 B9R1.1 c1cc(ccc1C=O)F A15383 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.1 c1cc(ncc1Br)C=O H50154 [1,1,0,0,0,0|1,1,0]=4 410 B9R1.1 c1cc(ncc1F)C#N H25956 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.2 CSc1[nH]c(=O)ccn1 H63154 [1,1,0,0,0,0|1,1,0]=4 412 B9R1.2 c1cnc(nc1N)CCl H66760 [1,1,0,0,0,0|1,0,1]=4 413 B9R1.3 c1cnc(c(c1N)Br)Cl H52359 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.3 c1cnc(c(c1N)I)Cl H33136 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.34 Cc1cc(=O)[nH]c(=O)[nH]1 B24191 [1,1,0,0,0,0|1,0,1]=4 416 B9R1.34 Cc1cc(cc(n1)C)N H61970 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.34 Cc1cc(nc(n1)C)N B22175 [1,1,0,0,0,0|1,0,1]=4 418 B9R1.34 Cc1nc(cc(n1)O)N L07496 [1,1,0,0,0,0|1,0,1]=4 419 B9R1.34 c1c(=O)[nH]c(=O)[nH]c1Cl L01875 [1,1,0,0,0,0|1,0,1]=4 420 B9R1.34 c1c([nH]c(=O)[nH]c1=O)N L03332 [1,1,0,0,0,0|0,0,1]=3 421 B9R1.34 c1c(cc(nc1Cl)Cl)N A15030 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.34 c1c(cc(nc1F)F)N H34083 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.34 c1c(nc(nc1Cl)Cl)N A17294 [1,1,0,0,0,0|1,0,1]=4 424 B9R1.34 c1c(nc(nc1Cl)N)N A17780 [1,1,0,0,0,0|1,0,1]=4 425 B9R1.34 c1c(nc(nc1N)N)N B23360 [1,1,0,0,0,0|1,0,1]=4 426 B9R1.34 c1c(nc(nc1O)N)N B21240 [1,1,0,0,0,0|1,0,1]=4 427 B9R1.34 c1c(nc(nc1O)S)N L01992 [1,1,0,0,0,0|0,1,1]=4 428 B9R1.15 COc1ccncc1F H64603 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.15 c1c(c(ncn1)N)C#N 43627 [1,1,0,0,0,0|1,0,1]=4 430 B9R1.15 c1c(c(ncn1)N)C=O H35706 [1,1,0,0,0,0|1,0,1]=4 431 B9R1.15 c1ccc(c(c1)CN)F A15623 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.15 c1ccc(c(c1)NN)F A13716 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.15 c1cncc(c1C#N)F H61594 [1,1,0,0,0,0|1,0,1]=4 434 B9R1.15 c1cncc(c1N)C=O H50028 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.15 c1cncc(c1N)CO H50033 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.32 c1(c(c(nc(c1F)F)F)F)N B23815 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.21 c1cc(c(cc1C(=O)O)N)F H61233 [0,2,0,0,0,0|2,0,0]=4 438 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)F A17545 [0,2,0,0,0,0|2,0,0]=4 439 B7R1.2 C1=CC(=O)NC1=O A13135 [1,0,0,0,1,0|2,0,0]=4 440 B7R1.2 Cc1c[nH]c(n1)C A11949 [1,0,0,0,1,0|2,0,0]=4