0 B9R1.69 CC1C=C(N=NC1=O)C PB18522 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.69 Cc1c(cc(cn1)Br)Br PB30636 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.69 Cc1c(cc(cn1)Br)Cl PB25103 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 Cc1c(cc(cn1)Br)F AB65410 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.69 Cc1c(cc(cn1)Br)N PB18946 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 Cc1c(cc(cn1)Cl)N PB22604 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 Cc1c(cc(cn1)F)N AB73550 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.69 Cc1c(cc(cn1)N)Br PB15954 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.69 Cc1c(cc(cn1)N)Cl AB62794 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.69 Cc1c(cc(cn1)N)F AB73533 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.69 Cc1c(cc(cn1)O)Cl AB71195 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.69 Cc1c(cc(cn1)O)F AB71314 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.69 Cc1cc(c(cn1)Br)Cl PB25215 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 Cc1cc(c(cn1)Br)F AB74992 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 Cc1cc(c(cn1)Br)N PB10415 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.69 Cc1cc(c(cn1)C)Br AB05202 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 Cc1cc(c(cn1)C)N AB05308 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.69 Cc1cc(c(cn1)Cl)Br AB71664 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 Cc1cc(c(cn1)Cl)I AB71748 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.69 Cc1cc(c(cn1)Cl)N AB40682 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.69 Cc1cc(c(cn1)F)Br AB74121 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.69 Cc1cc(c(cn1)F)N AB70850 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 Cc1cc(c(cn1)N)Br AB68541 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 Cc1cc(c(cn1)N)Cl AB64291 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.69 Cc1cc(c(cn1)N)F AB73537 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.69 Cc1cc(c(cn1)N)N AB51224 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.69 Cc1cc(c(cn1)O)Cl AB75747 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.69 Cc1cc(c(cn1)O)F AB74750 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [0,0,0,0,0,0|2,0,1]=3 31 B9R1.69 Cc1cc(c(nc1)Br)Cl AB53543 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.69 Cc1cc(c(nc1)Br)F AB55034 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [0,0,0,0,0,0|2,0,1]=3 34 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [0,0,0,0,0,0|2,0,1]=3 35 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [0,0,0,0,0,0|1,0,1]=2 36 B9R1.69 Cc1cc(c(nc1)Cl)Br AB09970 [0,0,0,0,0,0|2,0,1]=3 37 B9R1.69 Cc1cc(c(nc1)Cl)N AB15085 [0,0,0,0,0,0|2,0,1]=3 38 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [0,0,0,0,0,0|1,0,1]=2 39 B9R1.69 Cc1cc(c(nc1)F)Br AB13665 [0,0,0,0,0,0|2,0,1]=3 40 B9R1.69 Cc1cc(c(nc1)F)N AB66726 [0,0,0,0,0,0|2,0,1]=3 41 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [0,0,0,0,0,0|1,0,1]=2 42 B9R1.69 Cc1cc(c(nc1)N)Br AB02784 [0,0,0,0,0,0|2,0,1]=3 43 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [0,0,0,0,0,0|2,0,1]=3 44 B9R1.69 Cc1cc(c(nc1)N)Cl AB32106 [0,0,0,0,0,0|2,0,1]=3 45 B9R1.69 Cc1cc(c(nc1)N)F AB66724 [0,0,0,0,0,0|2,0,1]=3 46 B9R1.69 Cc1cc(c(nc1)N)N AB16874 [0,0,0,0,0,0|2,0,1]=3 47 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [0,0,0,0,0,0|1,0,2]=3 48 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [0,0,0,0,0,0|1,0,2]=3 49 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [0,0,0,0,0,0|1,0,2]=3 50 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [0,0,0,0,0,0|1,0,2]=3 51 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [0,0,0,0,0,0|1,0,2]=3 52 B9R1.69 Cc1cc(ccc1I)O MB06793 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.69 Cc1cc(cnc1Br)Br AB10779 [0,0,0,0,0,0|3,0,1]=4 54 B9R1.69 Cc1cc(cnc1Br)Cl AB13444 [0,0,0,0,0,0|3,0,1]=4 55 B9R1.69 Cc1cc(cnc1Br)F AB53312 [0,0,0,0,0,0|3,0,1]=4 56 B9R1.69 Cc1cc(cnc1Br)N AB13464 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.69 Cc1cc(cnc1Br)O AB53545 [0,0,0,0,0,0|3,0,1]=4 58 B9R1.69 Cc1cc(cnc1C)Br AB64498 [0,0,0,0,0,0|3,0,1]=4 59 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [0,0,0,0,0,0|3,0,1]=4 60 B9R1.69 Cc1cc(cnc1C)N AB42833 [0,0,0,0,0,0|3,0,1]=4 61 B9R1.69 Cc1cc(cnc1C)O AB65534 [0,0,0,0,0,0|3,0,1]=4 62 B9R1.69 Cc1cc(cnc1Cl)Cl AB16614 [0,0,0,0,0,0|3,0,1]=4 63 B9R1.69 Cc1cc(cnc1Cl)F AB21234 [0,0,0,0,0,0|3,0,1]=4 64 B9R1.69 Cc1cc(cnc1Cl)I CB11216 [0,0,0,0,0,0|3,0,1]=4 65 B9R1.69 Cc1cc(cnc1Cl)N AB13470 [0,0,0,0,0,0|3,0,1]=4 66 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [0,0,0,0,0,0|3,0,1]=4 67 B9R1.69 Cc1cc(cnc1F)Br AB13475 [0,0,0,0,0,0|3,0,1]=4 68 B9R1.69 Cc1cc(cnc1F)Cl AB13483 [0,0,0,0,0,0|3,0,1]=4 69 B9R1.69 Cc1cc(cnc1F)N AB13474 [0,0,0,0,0,0|3,0,1]=4 70 B9R1.69 Cc1cc(cnc1F)O AB53562 [0,0,0,0,0,0|3,0,1]=4 71 B9R1.69 Cc1cc(cnc1I)Br AB42361 [0,0,0,0,0,0|3,0,1]=4 72 B9R1.69 Cc1cc(cnc1I)Cl AB75751 [0,0,0,0,0,0|3,0,1]=4 73 B9R1.69 Cc1cc(cnc1N)Br AB02787 [0,0,0,0,0,0|3,0,1]=4 74 B9R1.69 Cc1cc(cnc1N)Cl AB03635 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.69 Cc1cc(cnc1N)F AB41238 [0,0,0,0,0,0|3,0,1]=4 76 B9R1.69 Cc1cc(cnc1N)I AB10923 [0,0,0,0,0,0|3,0,1]=4 77 B9R1.69 Cc1cc(cnc1O)Br AB15087 [0,0,0,0,0,0|2,0,2]=4 78 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [0,0,0,0,0,0|2,0,2]=4 79 B9R1.69 Cc1cc(cnc1O)F AB82901 [0,0,0,0,0,0|2,0,2]=4 80 B9R1.69 Cc1cc(cnc1O)I CB10781 [0,0,0,0,0,0|2,0,2]=4 81 B9R1.69 Cc1cc(cnc1O)N AB41215 [0,0,0,0,0,0|2,0,2]=4 82 B9R1.69 Cc1cc(ncc1Br)C AB53714 [0,0,0,0,0,0|4,0,0]=4 83 B9R1.69 Cc1cc(ncc1N)C AB41994 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.69 Cc1cc(ncc1O)C AB44457 [0,0,0,0,0,0|3,0,1]=4 85 B9R1.69 Cc1cc(nnc1Cl)C PB31877 [0,0,0,0,0,0|3,0,1]=4 86 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [0,0,0,0,0,0|2,1,0]=3 87 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [0,0,0,0,0,0|2,0,1]=3 89 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [0,0,0,0,0,0|2,0,0]=2 91 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [0,0,0,0,0,0|2,0,0]=2 92 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [0,0,0,0,0,0|2,0,0]=2 93 B9R1.69 Cc1ccc(c(n1)Br)N AB13459 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [0,0,0,0,0,0|3,0,1]=4 95 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.69 Cc1ccc(c(n1)Cl)Br AB13590 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.69 Cc1ccc(c(n1)Cl)N AB13580 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [0,0,0,0,0,0|3,0,1]=4 99 B9R1.69 Cc1ccc(c(n1)F)N AB13597 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.69 Cc1ccc(c(n1)N)Br AB13584 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.69 Cc1ccc(c(n1)N)Cl AB41203 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.69 Cc1ccc(c(n1)N)N AB15083 [0,0,0,0,0,0|4,0,0]=4 103 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [0,0,0,0,0,0|3,0,1]=4 104 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [0,0,0,0,0,0|3,0,0]=3 105 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [0,0,0,0,0,0|3,0,0]=3 106 B9R1.69 Cc1ccc(cc1I)O MB07177 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.69 Cc1ccc(cc1O)Br MB05210 [0,0,0,0,0,0|3,0,0]=3 108 B9R1.69 Cc1ccc(cc1O)I MB12091 [0,0,0,0,0,0|3,0,0]=3 109 B9R1.69 Cc1ccc(nc1Br)C AB65454 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.69 Cc1ccc(nc1N)C AB25382 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.69 Cc1ccc(nc1O)C AB71286 [0,0,0,0,0,0|3,0,0]=3 112 B9R1.69 Cc1ccc(nc1O)Cl AB75750 [0,0,0,0,0,0|4,0,0]=4 113 B9R1.69 Cc1ccc(nc1O)F AB82880 [0,0,0,0,0,0|4,0,0]=4 114 B9R1.69 Cc1cnc(c(n1)Br)C AB65522 [0,0,0,0,0,0|3,0,1]=4 115 B9R1.69 Cc1cnc(c(n1)Br)N CB11261 [0,0,0,0,0,0|3,0,1]=4 116 B9R1.69 Cc1cnc(c(n1)C)Br AB73101 [0,0,0,0,0,0|3,0,1]=4 117 B9R1.69 Cc1cnc(c(n1)C)Cl AB03542 [0,0,0,0,0,0|3,0,1]=4 118 B9R1.69 Cc1cnc(c(n1)C)N AB03436 [0,0,0,0,0,0|3,0,1]=4 119 B9R1.69 Cc1cnc(c(n1)Cl)C AB00609 [0,0,0,0,0,0|3,0,1]=4 120 B9R1.69 Cc1cnc(cc1O)Cl AB71181 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.69 Cc1cnc(cc1O)F AB71302 [0,0,0,0,0,0|4,0,0]=4 122 B9R1.69 Cc1cnc(nc1O)C AB21544 [0,0,0,0,0,0|4,0,0]=4 123 B9R1.69 Cc1ncc(c(n1)O)F AB04979 [0,0,0,0,0,0|4,0,0]=4 124 B9R1.69 Cn1cc(ccc1=O)Br PB32830 [0,0,0,0,0,0|4,0,0]=4 125 B9R1.69 Cn1cc(ccc1=O)N PB19693 [0,0,0,0,0,0|4,0,0]=4 126 B9R1.69 Cn1ccc(=O)c(c1)I MB19762 [0,0,0,0,0,0|3,0,0]=3 127 B9R1.69 c1c(c(cnc1Br)Br)O AB63125 [0,0,0,0,0,0|4,0,0]=4 128 B9R1.69 c1c(c(cnc1Br)Cl)O AB69302 [0,0,0,0,0,0|4,0,0]=4 129 B9R1.69 c1c(c(cnc1Br)F)O AB69315 [0,0,0,0,0,0|4,0,0]=4 130 B9R1.69 c1c(c(cnc1Cl)Br)O AB69298 [0,0,0,0,0,0|4,0,0]=4 131 B9R1.69 c1c(c(cnc1Cl)Cl)O AB10186 [0,0,0,0,0,0|4,0,0]=4 132 B9R1.69 c1c(c(cnc1Cl)F)O AB69309 [0,0,0,0,0,0|4,0,0]=4 133 B9R1.69 c1c(c(cnc1Cl)N)O AB69320 [0,0,0,0,0,0|4,0,0]=4 134 B9R1.69 c1c(c(cnc1Cl)O)O AB69329 [0,0,0,0,0,0|3,0,1]=4 135 B9R1.69 c1c(c(cnc1N)Cl)O AB42978 [0,0,0,0,0,0|4,0,0]=4 136 B9R1.69 c1c(cnc(c1Br)Cl)Cl AB25941 [0,0,0,0,0,0|3,0,1]=4 137 B9R1.69 c1c(cnc(c1Br)Cl)F AB13638 [0,0,0,0,0,0|3,0,1]=4 138 B9R1.69 c1c(cnc(c1Br)Cl)N CB10761 [0,0,0,0,0,0|3,0,1]=4 139 B9R1.69 c1c(cnc(c1Br)Cl)O CB11311 [0,0,0,0,0,0|3,0,1]=4 140 B9R1.69 c1c(cnc(c1Br)F)Cl AB20989 [0,0,0,0,0,0|3,0,1]=4 141 B9R1.69 c1c(cnc(c1Br)I)Cl AB64692 [0,0,0,0,0,0|3,0,1]=4 142 B9R1.69 c1c(cnc(c1Br)N)Br AB01699 [0,0,0,0,0,0|3,0,1]=4 143 B9R1.69 c1c(cnc(c1Br)N)Cl AB07737 [0,0,0,0,0,0|3,0,1]=4 144 B9R1.69 c1c(cnc(c1Br)N)I AB44276 [0,0,0,0,0,0|3,0,1]=4 145 B9R1.69 c1c(cnc(c1Br)O)Br AB01360 [0,0,0,0,0,0|2,0,2]=4 146 B9R1.69 c1c(cnc(c1Br)O)Cl AB09921 [0,0,0,0,0,0|2,0,2]=4 147 B9R1.69 c1c(cnc(c1Cl)Br)Br PB18868 [0,0,0,0,0,0|3,0,1]=4 148 B9R1.69 c1c(cnc(c1Cl)Br)Cl AB05062 [0,0,0,0,0,0|3,0,1]=4 149 B9R1.69 c1c(cnc(c1Cl)Br)F AB66730 [0,0,0,0,0,0|3,0,1]=4 150 B9R1.69 c1c(cnc(c1Cl)Cl)I PB23692 [0,0,0,0,0,0|3,0,1]=4 151 B9R1.69 c1c(cnc(c1Cl)F)Br AB52757 [0,0,0,0,0,0|3,0,1]=4 152 B9R1.69 c1c(cnc(c1Cl)F)N AB75047 [0,0,0,0,0,0|3,0,1]=4 153 B9R1.69 c1c(cnc(c1Cl)F)O AB43291 [0,0,0,0,0,0|3,0,1]=4 154 B9R1.69 c1c(cnc(c1Cl)N)Br AB63574 [0,0,0,0,0,0|3,0,1]=4 155 B9R1.69 c1c(cnc(c1Cl)N)Cl AB00689 [0,0,0,0,0,0|3,0,1]=4 156 B9R1.69 c1c(cnc(c1Cl)N)F AB50026 [0,0,0,0,0,0|3,0,1]=4 157 B9R1.69 c1c(cnc(c1Cl)N)N AB70626 [0,0,0,0,0,0|3,0,1]=4 158 B9R1.69 c1c(cnc(c1Cl)O)Br AB05076 [0,0,0,0,0,0|2,0,2]=4 159 B9R1.69 c1c(cnc(c1Cl)O)Cl AB03534 [0,0,0,0,0,0|2,0,2]=4 160 B9R1.69 c1c(cnc(c1Cl)O)F AB66743 [0,0,0,0,0,0|2,0,2]=4 161 B9R1.69 c1c(cnc(c1Cl)O)N AB76242 [0,0,0,0,0,0|2,0,2]=4 162 B9R1.69 c1c(cnc(c1Cl)O)O AB71133 [0,0,0,0,0,0|2,0,2]=4 163 B9R1.69 c1c(cnc(c1F)Br)Cl AB62913 [0,0,0,0,0,0|3,0,1]=4 164 B9R1.69 c1c(cnc(c1F)Cl)Br AB14161 [0,0,0,0,0,0|3,0,1]=4 165 B9R1.69 c1c(cnc(c1F)Cl)N AB75042 [0,0,0,0,0,0|3,0,1]=4 166 B9R1.69 c1c(cnc(c1F)Cl)O AB14157 [0,0,0,0,0,0|3,0,1]=4 167 B9R1.69 c1c(cnc(c1F)I)Br AB73520 [0,0,0,0,0,0|3,0,1]=4 168 B9R1.69 c1c(cnc(c1F)N)Cl AB53928 [0,0,0,0,0,0|3,0,1]=4 169 B9R1.69 c1c(cnc(c1F)O)Br AB40961 [0,0,0,0,0,0|2,0,2]=4 170 B9R1.69 c1c(cnc(c1F)O)Cl AB41032 [0,0,0,0,0,0|2,0,2]=4 171 B9R1.69 c1c(cnc(c1I)Cl)Br AB48194 [0,0,0,0,0,0|3,0,1]=4 172 B9R1.69 c1c(cnc(c1I)Cl)F AB13622 [0,0,0,0,0,0|3,0,1]=4 173 B9R1.69 c1c(cnc(c1I)N)Br AB25852 [0,0,0,0,0,0|3,0,1]=4 174 B9R1.69 c1c(cnc(c1I)N)Cl AB42079 [0,0,0,0,0,0|3,0,1]=4 175 B9R1.69 c1c(cnc(c1I)N)F AB48199 [0,0,0,0,0,0|3,0,1]=4 176 B9R1.69 c1c(cnc(c1I)O)Br AB48195 [0,0,0,0,0,0|2,0,2]=4 177 B9R1.69 c1c(cnc(c1N)Br)Br PB32717 [0,0,0,0,0,0|3,0,1]=4 178 B9R1.69 c1c(cnc(c1N)Br)F AB21745 [0,0,0,0,0,0|3,0,1]=4 179 B9R1.69 c1c(cnc(c1N)Cl)Br PB21183 [0,0,0,0,0,0|3,0,1]=4 180 B9R1.69 c1c(cnc(c1N)Cl)Cl AB04748 [0,0,0,0,0,0|3,0,1]=4 181 B9R1.69 c1c(cnc(c1N)Cl)F AB44890 [0,0,0,0,0,0|3,0,1]=4 182 B9R1.69 c1c(cnc(c1N)Cl)I AB17086 [0,0,0,0,0,0|3,0,1]=4 183 B9R1.69 c1c(cnc(c1N)Cl)N AB51565 [0,0,0,0,0,0|3,0,1]=4 184 B9R1.69 c1c(cnc(c1N)Cl)O AB70860 [0,0,0,0,0,0|3,0,1]=4 185 B9R1.69 c1c(cnc(c1N)F)Cl AB25964 [0,0,0,0,0,0|3,0,1]=4 186 B9R1.69 c1c(cnc(c1N)N)Br PB10156 [0,0,0,0,0,0|3,0,1]=4 187 B9R1.69 c1c(cnc(c1N)N)Cl AB08400 [0,0,0,0,0,0|3,0,1]=4 188 B9R1.69 c1c(cnc(c1N)N)I AB60257 [0,0,0,0,0,0|3,0,1]=4 189 B9R1.69 c1c(cnc(c1N)O)Br AB16428 [0,0,0,0,0,0|2,0,2]=4 190 B9R1.69 c1c(cnc(c1N)O)Cl AB40990 [0,0,0,0,0,0|2,0,2]=4 191 B9R1.69 c1c(cnc(c1N)O)N AB64414 [0,0,0,0,0,0|2,0,2]=4 192 B9R1.69 c1c(cnc(c1N)S)Br AB40982 [0,0,0,0,0,0|2,1,1]=4 193 B9R1.69 c1c(cnc(c1N)S)Cl AB41057 [0,0,0,0,0,0|2,1,1]=4 194 B9R1.69 c1c(cnc(c1O)Br)F MB09912 [0,0,0,0,0,0|2,0,1]=3 195 B9R1.69 c1c(cnc(c1O)Cl)Br PB17565 [0,0,0,0,0,0|2,0,1]=3 196 B9R1.69 c1c(cnc(c1O)Cl)Cl AB66760 [0,0,0,0,0,0|2,0,1]=3 197 B9R1.69 c1c(cnc(c1O)Cl)F AB13634 [0,0,0,0,0,0|2,0,1]=3 198 B9R1.69 c1c(cnc(c1O)Cl)N AB76704 [0,0,0,0,0,0|2,0,1]=3 199 B9R1.69 c1c(cnc(c1O)Cl)O AB71129 [0,0,0,0,0,0|2,0,1]=3 200 B9R1.69 c1cc(c(cc1Br)Br)I AB51495 [0,0,0,0,0,0|4,0,0]=4 201 B9R1.69 c1cc(c(cc1Br)Cl)O AB00210 [0,0,0,0,0,0|3,0,1]=4 202 B9R1.69 c1cc(c(cc1Br)I)N AB10839 [0,0,0,0,0,0|4,0,0]=4 203 B9R1.69 c1cc(c(cc1Br)I)O MB06781 [0,0,0,0,0,0|3,0,1]=4 204 B9R1.69 c1cc(c(cc1Br)N)I AB51497 [0,0,0,0,0,0|4,0,0]=4 205 B9R1.69 c1cc(c(cc1Br)N)N AB11949 [0,0,0,0,0,0|4,0,0]=4 206 B9R1.69 c1cc(c(cc1Br)N)O MB01067 [0,0,0,0,0,0|3,0,1]=4 207 B9R1.69 c1cc(c(cc1Br)N)S AB54823 [0,0,0,0,0,0|3,1,0]=4 208 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [0,0,0,0,0,0|3,0,0]=3 209 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [0,0,0,0,0,0|3,0,0]=3 210 B9R1.69 c1cc(c(cc1Br)S)N AB07437 [0,0,0,0,0,0|3,1,0]=4 211 B9R1.69 c1cc(c(cc1Cl)I)N PB21792 [0,0,0,0,0,0|4,0,0]=4 212 B9R1.69 c1cc(c(cc1Cl)I)O MB05977 [0,0,0,0,0,0|3,0,1]=4 213 B9R1.69 c1cc(c(cc1Cl)N)I AB28269 [0,0,0,0,0,0|4,0,0]=4 214 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [0,0,0,0,0,0|3,0,0]=3 215 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [0,0,0,0,0,0|3,0,0]=3 216 B9R1.69 c1cc(c(cc1Cl)S)N AB13353 [0,0,0,0,0,0|3,1,0]=4 217 B9R1.69 c1cc(c(cc1F)F)I MB00398 [0,0,0,0,0,0|4,0,0]=4 218 B9R1.69 c1cc(c(cc1F)I)N AB01932 [0,0,0,0,0,0|4,0,0]=4 219 B9R1.69 c1cc(c(cc1F)I)O MB14767 [0,0,0,0,0,0|3,0,1]=4 220 B9R1.69 c1cc(c(cc1F)N)N AB01910 [0,0,0,0,0,0|4,0,0]=4 221 B9R1.69 c1cc(c(cc1F)N)S AB54821 [0,0,0,0,0,0|3,1,0]=4 222 B9R1.69 c1cc(c(cc1F)O)I MB25431 [0,0,0,0,0,0|3,0,0]=3 223 B9R1.69 c1cc(c(cc1F)S)N AB54817 [0,0,0,0,0,0|3,1,0]=4 224 B9R1.69 c1cc(c(cc1I)Br)O MB10373 [0,0,0,0,0,0|3,0,1]=4 225 B9R1.69 c1cc(c(cc1I)Cl)O MB09341 [0,0,0,0,0,0|3,0,1]=4 226 B9R1.69 c1cc(c(cc1I)F)O MB09308 [0,0,0,0,0,0|3,0,1]=4 227 B9R1.69 c1cc(c(cc1I)I)O MB01999 [0,0,0,0,0,0|3,0,1]=4 228 B9R1.69 c1cc(c(cc1I)N)Cl AB64100 [0,0,0,0,0,0|4,0,0]=4 229 B9R1.69 c1cc(c(cc1I)N)O MB14432 [0,0,0,0,0,0|3,0,1]=4 230 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [0,0,0,0,0,0|3,0,0]=3 231 B9R1.69 c1cc(c(cc1I)O)F MB14983 [0,0,0,0,0,0|3,0,0]=3 232 B9R1.69 c1cc(c(cc1I)O)I MB07529 [0,0,0,0,0,0|3,0,0]=3 233 B9R1.69 c1cc(c(cc1I)O)N MB14436 [0,0,0,0,0,0|3,0,0]=3 234 B9R1.69 c1cc(c(cc1N)Cl)I AB02146 [0,0,0,0,0,0|4,0,0]=4 235 B9R1.69 c1cc(c(cc1N)F)Cl AB08243 [0,0,0,0,0,0|4,0,0]=4 236 B9R1.69 c1cc(c(cc1N)F)I AB42340 [0,0,0,0,0,0|4,0,0]=4 237 B9R1.69 c1cc(c(cc1N)F)N MB08293 [0,0,0,0,0,0|4,0,0]=4 238 B9R1.69 c1cc(c(cc1N)I)Cl MB09944 [0,0,0,0,0,0|4,0,0]=4 239 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [0,0,0,0,0,0|3,0,0]=3 240 B9R1.69 c1cc(c(cc1N)O)F MB13362 [0,0,0,0,0,0|3,0,0]=3 241 B9R1.69 c1cc(c(cc1N)O)I MB37209 [0,0,0,0,0,0|3,0,0]=3 242 B9R1.69 c1cc(c(cc1O)Br)Br MB00539 [0,0,0,0,0,0|4,0,0]=4 243 B9R1.69 c1cc(c(cc1O)Br)Cl MB00535 [0,0,0,0,0,0|4,0,0]=4 244 B9R1.69 c1cc(c(cc1O)Br)I MB26105 [0,0,0,0,0,0|4,0,0]=4 245 B9R1.69 c1cc(c(cc1O)Br)N MB08329 [0,0,0,0,0,0|4,0,0]=4 246 B9R1.69 c1cc(c(cc1O)Cl)I MB25466 [0,0,0,0,0,0|4,0,0]=4 247 B9R1.69 c1cc(c(cc1O)Cl)N MB01478 [0,0,0,0,0,0|4,0,0]=4 248 B9R1.69 c1cc(c(cc1O)F)I MB11930 [0,0,0,0,0,0|4,0,0]=4 249 B9R1.69 c1cc(c(cc1O)F)N AB09438 [0,0,0,0,0,0|4,0,0]=4 250 B9R1.69 c1cc(c(cc1O)I)Br MB00538 [0,0,0,0,0,0|4,0,0]=4 251 B9R1.69 c1cc(c(cc1O)I)F MB25606 [0,0,0,0,0,0|4,0,0]=4 252 B9R1.69 c1cc(c(cc1O)I)I MB25449 [0,0,0,0,0,0|4,0,0]=4 253 B9R1.69 c1cc(c(cc1O)I)N MB25412 [0,0,0,0,0,0|4,0,0]=4 254 B9R1.69 c1cc(c(cc1O)N)Br MB07114 [0,0,0,0,0,0|4,0,0]=4 255 B9R1.69 c1cc(c(cc1O)N)I MB13452 [0,0,0,0,0,0|4,0,0]=4 256 B9R1.69 c1cc(c(cc1O)N)N MB04238 [0,0,0,0,0,0|4,0,0]=4 257 B9R1.69 c1cc(nc(c1Cl)O)Br AB84077 [0,0,0,0,0,0|4,0,0]=4 258 B9R1.69 c1cc(nc(c1Cl)O)Cl AB10185 [0,0,0,0,0,0|4,0,0]=4 259 B9R1.69 c1cc(nc(c1Cl)O)N AB84080 [0,0,0,0,0,0|4,0,0]=4 260 B9R1.69 c1cc(nc(c1Cl)O)O AB84078 [0,0,0,0,0,0|4,0,0]=4 261 B9R1.69 c1cc(nc(c1F)O)Cl AB83102 [0,0,0,0,0,0|4,0,0]=4 262 B9R1.69 c1cc(nc(c1N)O)Br AB26870 [0,0,0,0,0,0|4,0,0]=4 263 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [1,0,0,0,0,0|1,0,0]=2 264 B8R1.3 Cc1ccc(cn1)Br AB06624 [1,0,0,0,0,0|2,0,1]=4 265 B8R1.3 Cc1ccc(cn1)Cl AB17956 [1,0,0,0,0,0|2,0,1]=4 266 B8R1.3 Cc1ccc(cn1)F PB18589 [1,0,0,0,0,0|2,0,1]=4 267 B8R1.3 Cc1ccc(cn1)N PB32227 [1,0,0,0,0,0|2,0,1]=4 268 B8R1.3 Cc1ccc(cn1)O PB30543 [1,0,0,0,0,0|2,0,1]=4 269 B8R1.3 Cc1ccc(nc1)Br PB17145 [1,0,0,0,0,0|1,0,1]=3 270 B8R1.3 Cc1ccc(nc1)Cl AB07104 [1,0,0,0,0,0|1,0,1]=3 271 B8R1.3 Cc1ccc(nc1)F AB01857 [1,0,0,0,0,0|1,0,1]=3 272 B8R1.3 Cc1ccc(nc1)N AB17938 [1,0,0,0,0,0|1,0,1]=3 273 B8R1.3 Cc1ccc(nc1)O AB13138 [1,0,0,0,0,0|0,0,2]=3 274 B8R1.3 Cc1ccc(nn1)Br PB26503 [1,0,0,0,0,0|2,0,1]=4 275 B8R1.3 Cc1ccc(nn1)Cl PB20885 [1,0,0,0,0,0|2,0,1]=4 276 B8R1.3 Cc1ccc(nn1)I PB11607 [1,0,0,0,0,0|2,0,1]=4 277 B8R1.3 Cc1ccc(nn1)N PB33947 [1,0,0,0,0,0|2,0,1]=4 278 B8R1.3 Cc1cnc(cn1)Br PB27954 [1,0,0,0,0,0|2,0,1]=4 279 B8R1.3 Cc1cnc(cn1)Cl AB02272 [1,0,0,0,0,0|2,0,1]=4 280 B8R1.3 Cc1cnc(cn1)N PB32613 [1,0,0,0,0,0|2,0,1]=4 281 B8R1.3 Cc1cnc(nc1)Cl PB25116 [1,0,0,0,0,0|2,0,1]=4 282 B8R1.3 Cc1cnc(nc1)N AB06143 [1,0,0,0,0,0|2,0,1]=4 283 B8R1.3 c1cc(ncc1Br)Br AB00634 [1,0,0,0,0,0|2,0,1]=4 284 B8R1.3 c1cc(ncc1Br)Cl AB08767 [1,0,0,0,0,0|2,0,1]=4 285 B8R1.3 c1cc(ncc1Br)F PB30707 [1,0,0,0,0,0|2,0,1]=4 286 B8R1.3 c1cc(ncc1Br)N PB30536 [1,0,0,0,0,0|2,0,1]=4 287 B8R1.3 c1cc(ncc1Br)O AB05097 [1,0,0,0,0,0|1,0,2]=4 288 B8R1.3 c1cc(ncc1Br)S AB51097 [1,0,0,0,0,0|1,1,1]=4 289 B8R1.3 c1cc(ncc1Cl)Br AB05069 [1,0,0,0,0,0|2,0,1]=4 290 B8R1.3 c1cc(ncc1Cl)Cl AB00654 [1,0,0,0,0,0|2,0,1]=4 291 B8R1.3 c1cc(ncc1Cl)F AB17577 [1,0,0,0,0,0|2,0,1]=4 292 B8R1.3 c1cc(ncc1Cl)I AB32114 [1,0,0,0,0,0|2,0,1]=4 293 B8R1.3 c1cc(ncc1Cl)N AB00712 [1,0,0,0,0,0|2,0,1]=4 294 B8R1.3 c1cc(ncc1F)Br PB17160 [1,0,0,0,0,0|2,0,1]=4 295 B8R1.3 c1cc(ncc1F)I AB42989 [1,0,0,0,0,0|2,0,1]=4 296 B8R1.3 c1cc(ncc1F)N AB10107 [1,0,0,0,0,0|2,0,1]=4 297 B8R1.3 c1cc(ncc1I)Br PB14333 [1,0,0,0,0,0|2,0,1]=4 298 B8R1.3 c1cc(ncc1I)Cl AB10394 [1,0,0,0,0,0|2,0,1]=4 299 B8R1.3 c1cc(ncc1I)N PB25985 [1,0,0,0,0,0|2,0,1]=4 300 B8R1.3 c1cc(ncc1I)O AB05112 [1,0,0,0,0,0|1,0,2]=4 301 B8R1.3 c1cc(ncc1N)Br PB17224 [1,0,0,0,0,0|2,0,1]=4 302 B8R1.3 c1cc(ncc1N)Cl AB00661 [1,0,0,0,0,0|2,0,1]=4 303 B8R1.3 c1cc(ncc1N)F PB33962 [1,0,0,0,0,0|2,0,1]=4 304 B8R1.3 c1cc(ncc1N)O AB15078 [1,0,0,0,0,0|1,0,2]=4 305 B8R1.3 c1cc(ncc1O)Br PB15771 [1,0,0,0,0,0|2,0,1]=4 306 B8R1.3 c1cc(ncc1O)Cl PB32188 [1,0,0,0,0,0|2,0,1]=4 307 B8R1.3 c1cc(ncc1O)F AB08123 [1,0,0,0,0,0|2,0,1]=4 308 B8R1.3 c1cc(ncc1O)I AB50021 [1,0,0,0,0,0|2,0,1]=4 309 B8R1.3 c1cc(ncc1O)N AB15563 [1,0,0,0,0,0|2,0,1]=4 310 B8R1.4 Cc1cc(ccn1)Br AB17599 [1,0,0,0,0,0|3,0,0]=4 311 B8R1.4 Cc1cc(ccn1)Br PB26077 [1,0,0,0,0,0|3,0,0]=4 312 B8R1.4 Cc1cc(ccn1)Cl AB01756 [1,0,0,0,0,0|3,0,0]=4 313 B8R1.4 Cc1cc(ccn1)F AB17919 [1,0,0,0,0,0|3,0,0]=4 314 B8R1.4 Cc1cc(ccn1)O PB24839 [1,0,0,0,0,0|2,0,0]=3 315 B8R1.4 Cc1cc(cnc1)Br AB09597 [1,0,0,0,0,0|1,0,1]=3 316 B8R1.4 Cc1cc(cnc1)Cl AB17994 [1,0,0,0,0,0|1,0,1]=3 317 B8R1.4 Cc1cc(cnc1)F AB13643 [1,0,0,0,0,0|1,0,1]=3 318 B8R1.4 Cc1cc(cnc1)N AB17573 [1,0,0,0,0,0|1,0,1]=3 319 B8R1.4 Cc1cc(cnc1)O MB01362 [1,0,0,0,0,0|0,0,1]=2 320 B8R1.4 Cc1cc(cnn1)N MB11385 [1,0,0,0,0,0|2,0,1]=4 321 B8R1.4 Cc1cc(nnc1)Cl PB14716 [1,0,0,0,0,0|2,0,1]=4 322 B8R1.4 Cc1cc(nnc1)N AB61142 [1,0,0,0,0,0|2,0,1]=4 323 B8R1.4 Cc1cccc(n1)Br AB01812 [1,0,0,0,0,0|3,0,0]=4 324 B8R1.4 Cc1cccc(n1)Cl AB00666 [1,0,0,0,0,0|3,0,0]=4 325 B8R1.4 Cc1cccc(n1)F AB01860 [1,0,0,0,0,0|3,0,0]=4 326 B8R1.4 Cc1cccc(n1)N AB00717 [1,0,0,0,0,0|3,0,0]=4 327 B8R1.4 Cc1cccc(n1)O AB00679 [1,0,0,0,0,0|2,0,0]=3 328 B8R1.4 Cc1cccc(n1)S AB25230 [1,0,0,0,0,0|2,1,0]=4 329 B8R1.4 Cc1ccnc(c1)Br AB03099 [1,0,0,0,0,0|3,0,0]=4 330 B8R1.4 Cc1ccnc(c1)Cl PB10051 [1,0,0,0,0,0|3,0,0]=4 331 B8R1.4 Cc1ccnc(c1)F AB01854 [1,0,0,0,0,0|3,0,0]=4 332 B8R1.4 Cc1ccnc(c1)N AB00703 [1,0,0,0,0,0|3,0,0]=4 333 B8R1.4 Cc1ccnc(c1)O AB03735 [1,0,0,0,0,0|2,0,0]=3 334 B8R1.4 Cc1cncc(n1)Br AB48617 [1,0,0,0,0,0|2,0,1]=4 335 B8R1.4 Cc1cncc(n1)Cl AB02267 [1,0,0,0,0,0|2,0,1]=4 336 B8R1.4 Cc1cncc(n1)N AB43812 [1,0,0,0,0,0|2,0,1]=4 337 B8R1.4 c1c(cncc1Br)Br AB01172 [1,0,0,0,0,0|2,0,1]=4 338 B8R1.4 c1c(cncc1Br)Cl AB18001 [1,0,0,0,0,0|2,0,1]=4 339 B8R1.4 c1c(cncc1Br)N PB12251 [1,0,0,0,0,0|2,0,1]=4 340 B8R1.4 c1c(cncc1Br)O PB30658 [1,0,0,0,0,0|1,0,1]=3 341 B8R1.4 c1c(cncc1Cl)Cl AB00743 [1,0,0,0,0,0|2,0,1]=4 342 B8R1.4 c1c(cncc1Cl)F AB21896 [1,0,0,0,0,0|2,0,1]=4 343 B8R1.4 c1c(cncc1Cl)N AB15758 [1,0,0,0,0,0|2,0,1]=4 344 B8R1.4 c1c(cncc1F)F AB14383 [1,0,0,0,0,0|2,0,1]=4 345 B8R1.4 c1c(cncc1F)N AB05123 [1,0,0,0,0,0|2,0,1]=4 346 B8R1.4 c1c(cncc1F)O AB13569 [1,0,0,0,0,0|1,0,1]=3 347 B8R1.4 c1c(cncc1I)Br AB13102 [1,0,0,0,0,0|2,0,1]=4 348 B8R1.4 c1c(cncc1I)Cl AB43784 [1,0,0,0,0,0|2,0,1]=4 349 B8R1.4 c1c(cncc1I)F AB45557 [1,0,0,0,0,0|2,0,1]=4 350 B8R1.4 c1c(cncc1I)I PB19957 [1,0,0,0,0,0|2,0,1]=4 351 B8R1.4 c1c(cncc1I)N AB43802 [1,0,0,0,0,0|2,0,1]=4 352 B8R1.4 c1c(cncc1N)N AB07746 [1,0,0,0,0,0|2,0,1]=4 353 B8R1.4 c1c(cncc1O)N AB17983 [1,0,0,0,0,0|1,0,1]=3 354 B8R1.4 c1c(cncc1O)O MB02073 [1,0,0,0,0,0|1,0,1]=3 355 B8R1.4 c1c(cnnc1O)Cl AB61137 [1,0,0,0,0,0|2,0,1]=4 356 B8R1.4 c1c(nc(cn1)Cl)O MB00903 [1,0,0,0,0,0|2,0,1]=4 357 B8R1.4 c1cc(nc(c1)Br)O AB05100 [1,0,0,0,0,0|3,0,0]=4 358 B8R1.4 c1cnc(cc1Cl)O AB13188 [1,0,0,0,0,0|3,0,0]=4 359 B8R1.4 c1cnc(cc1N)O PB15716 [1,0,0,0,0,0|3,0,0]=4 360 B8R1.4 c1cnc(cc1O)Br AB05095 [1,0,0,0,0,0|3,0,0]=4 361 B8R1.4 c1cnc(cc1O)Cl AB09576 [1,0,0,0,0,0|3,0,0]=4 362 B8R1.4 c1cnc(cc1O)F AB17930 [1,0,0,0,0,0|3,0,0]=4 363 B8R1.4 c1cnc(cc1O)I MB26582 [1,0,0,0,0,0|3,0,0]=4 364 B8R1.4 c1cnc(cc1O)N AB17934 [1,0,0,0,0,0|3,0,0]=4 365 B8R1.5 Cc1c(cccn1)Br PB27472 [1,0,0,0,0,0|2,0,1]=4 366 B8R1.5 Cc1c(cccn1)Cl AB17903 [1,0,0,0,0,0|2,0,1]=4 367 B8R1.5 Cc1c(cccn1)F AB48604 [1,0,0,0,0,0|2,0,1]=4 368 B8R1.5 Cc1c(cccn1)N PB33695 [1,0,0,0,0,0|2,0,1]=4 369 B8R1.5 Cc1c(cccn1)O PB18442 [1,0,0,0,0,0|1,0,1]=3 370 B8R1.5 Cc1c(nccn1)O PB12942 [1,0,0,0,0,0|2,0,1]=4 371 B8R1.5 Cc1cccnc1Br AB05448 [1,0,0,0,0,0|2,0,1]=4 372 B8R1.5 Cc1cccnc1Cl AB05179 [1,0,0,0,0,0|2,0,1]=4 373 B8R1.5 Cc1cccnc1N AB17908 [1,0,0,0,0,0|2,0,1]=4 374 B8R1.5 Cc1cccnc1O AB03538 [1,0,0,0,0,0|1,0,2]=4 375 B8R1.5 Cc1ccncc1O PB23391 [1,0,0,0,0,0|3,0,0]=4 376 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [1,0,0,0,0,0|2,0,1]=4 377 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [1,0,0,0,0,0|2,0,1]=4 378 B8R1.5 c1cc(c(nc1)Br)F PB14380 [1,0,0,0,0,0|2,0,1]=4 379 B8R1.5 c1cc(c(nc1)Br)I MB06974 [1,0,0,0,0,0|2,0,1]=4 380 B8R1.5 c1cc(c(nc1)Br)N AB17900 [1,0,0,0,0,0|2,0,1]=4 381 B8R1.5 c1cc(c(nc1)Br)N PB26005 [1,0,0,0,0,0|2,0,1]=4 382 B8R1.5 c1cc(c(nc1)Br)O PB28951 [1,0,0,0,0,0|1,0,1]=3 383 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [1,0,0,0,0,0|2,0,1]=4 384 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [1,0,0,0,0,0|2,0,1]=4 385 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [1,0,0,0,0,0|2,0,1]=4 386 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [1,0,0,0,0,0|2,0,1]=4 387 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [1,0,0,0,0,0|2,0,1]=4 388 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [1,0,0,0,0,0|1,0,1]=3 389 B8R1.5 c1cc(c(nc1)F)I AB13652 [1,0,0,0,0,0|2,0,1]=4 390 B8R1.5 c1cc(c(nc1)F)N AB17917 [1,0,0,0,0,0|2,0,1]=4 391 B8R1.5 c1cc(c(nc1)I)Br AB45745 [1,0,0,0,0,0|2,0,1]=4 392 B8R1.5 c1cc(c(nc1)I)F AB13656 [1,0,0,0,0,0|2,0,1]=4 393 B8R1.5 c1cc(c(nc1)I)I AB25846 [1,0,0,0,0,0|2,0,1]=4 394 B8R1.5 c1cc(c(nc1)I)O MB00322 [1,0,0,0,0,0|1,0,1]=3 395 B8R1.5 c1cc(c(nc1)N)Br PB20016 [1,0,0,0,0,0|2,0,1]=4 396 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [1,0,0,0,0,0|2,0,1]=4 397 B8R1.5 c1cc(c(nc1)N)F AB17912 [1,0,0,0,0,0|2,0,1]=4 398 B8R1.5 c1cc(c(nc1)N)I PB12756 [1,0,0,0,0,0|2,0,1]=4 399 B8R1.5 c1cc(c(nc1)N)O AB00700 [1,0,0,0,0,0|1,0,1]=3 400 B8R1.5 c1cc(c(nc1)N)O AB17906 [1,0,0,0,0,0|1,0,1]=3 401 B8R1.5 c1cc(c(nc1)N)S AB64540 [1,0,0,0,0,0|1,1,1]=4 402 B8R1.5 c1cc(c(nc1)O)Br PB12284 [1,0,0,0,0,0|1,0,2]=4 403 B8R1.5 c1cc(c(nc1)O)F AB13427 [1,0,0,0,0,0|1,0,2]=4 404 B8R1.5 c1cc(c(nc1)O)I AB53303 [1,0,0,0,0,0|1,0,2]=4 405 B8R1.5 c1cc(c(nc1)O)N PB30752 [1,0,0,0,0,0|1,0,2]=4 406 B8R1.5 c1cn[nH]c(=O)c1Cl PB31005 [1,0,0,0,0,0|2,0,0]=3 407 B8R1.5 c1cncc(c1Br)O AB13187 [1,0,0,0,0,0|3,0,0]=4 408 B8R1.5 c1cncc(c1Cl)O AB12281 [1,0,0,0,0,0|3,0,0]=4 409 B8R1.5 c1cncc(c1F)O AB64515 [1,0,0,0,0,0|3,0,0]=4 410 B8R1.5 c1cncc(c1I)O MB06807 [1,0,0,0,0,0|3,0,0]=4 411 B8R1.5 c1cncc(c1O)Br AB09574 [1,0,0,0,0,0|3,0,0]=4 412 B8R1.5 c1cncc(c1O)F AB18011 [1,0,0,0,0,0|3,0,0]=4 413 B10R1.22 Cn1cc(cc(c1=O)N)Br PB10719 [0,1,0,0,0,0|2,0,0]=3 414 B10R1.25 CCc1ccc(cc1O)Br MB23992 [0,1,0,0,0,0|3,0,0]=4 415 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.25 CCc1ccc(cc1O)F MB23841 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.25 CCc1ccc(cc1O)I MB23846 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.25 CCc1ccc(cc1O)N MB23852 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.25 CNc1ccc(cc1O)N MB33015 [0,1,0,0,0,0|3,0,0]=4 421 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [0,1,0,0,0,0|1,0,2]=4 422 B10R1.25 COc1ccc(cc1O)Cl MB09234 [0,1,0,0,0,0|2,0,1]=4 423 B10R1.25 COc1ccc(cc1O)I MB38179 [0,1,0,0,0,0|2,0,1]=4 424 B10R1.25 CSc1ccc(cc1O)Br MB35434 [0,1,0,0,0,0|2,1,0]=4 425 B10R1.25 CSc1ccc(cc1O)F MB25440 [0,1,0,0,0,0|2,1,0]=4 426 B10R1.25 CSc1ccc(cc1O)I MB29501 [0,1,0,0,0,0|2,1,0]=4 427 B10R1.25 CSc1ccc(cc1O)N MB36502 [0,1,0,0,0,0|2,1,0]=4 428 B10R1.25 Cc1cc(c(cn1)C=O)Br AB66855 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.25 Cc1cc(c(cn1)C=O)Cl AB66849 [0,1,0,0,0,0|3,0,0]=4 430 B10R1.25 Cc1cc(c(cn1)C=O)F AB75172 [0,1,0,0,0,0|3,0,0]=4 431 B10R1.25 Cc1cc(c(cn1)C=O)N AB83689 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.25 Cc1cc(c(cn1)C=O)O AB75249 [0,1,0,0,0,0|2,0,0]=3 433 B10R1.25 Cc1cc(c(nc1)C#N)C AB22974 [0,1,0,0,0,0|2,0,1]=4 434 B10R1.25 Cc1cc(c(nc1)C#N)N AB64065 [0,1,0,0,0,0|2,0,1]=4 435 B10R1.25 Cc1cc(c(nc1)C=O)C AB53525 [0,1,0,0,0,0|1,0,1]=3 436 B10R1.25 Cc1cc(c(nc1)C=O)Cl AB75087 [0,1,0,0,0,0|1,0,1]=3 437 B10R1.25 Cc1cc(c(nc1)C=O)F AB75163 [0,1,0,0,0,0|1,0,1]=3 438 B10R1.25 Cc1cc(c(nc1)C=O)N AB83746 [0,1,0,0,0,0|1,0,1]=3 439 B10R1.25 Cc1cc(c(nc1)C=O)O AB75242 [0,1,0,0,0,0|0,0,1]=2 440 B10R1.25 Cc1cc(c(nc1)CCl)C AB44395 [0,1,0,0,0,0|2,0,1]=4 441 B10R1.25 Cc1cc(c(nc1)CCl)Cl AB75094 [0,1,0,0,0,0|2,0,1]=4 442 B10R1.25 Cc1cc(c(nc1)CCl)F AB76356 [0,1,0,0,0,0|2,0,1]=4 443 B10R1.25 Cc1cc(c(nc1)CN)C AB53521 [0,1,0,0,0,0|2,0,1]=4 444 B10R1.25 Cc1cc(c(nc1)CN)Cl AB75093 [0,1,0,0,0,0|2,0,1]=4 445 B10R1.25 Cc1cc(c(nc1)CN)F AB75165 [0,1,0,0,0,0|2,0,1]=4 446 B10R1.25 Cc1cc(c(nc1)CO)C AB53524 [0,1,0,0,0,0|1,0,2]=4 447 B10R1.25 Cc1cc(c(nc1)OC)N AB66728 [0,1,0,0,0,0|1,0,2]=4 448 B10R1.25 Cc1cc(cnc1C=O)Br AB42359 [0,1,0,0,0,0|2,0,1]=4 449 B10R1.25 Cc1cc(cnc1C=O)Cl AB75118 [0,1,0,0,0,0|2,0,1]=4 450 B10R1.25 Cc1cc(cnc1C=O)F AB74798 [0,1,0,0,0,0|2,0,1]=4 451 B10R1.25 Cc1cc(ncc1C=O)C AB74124 [0,1,0,0,0,0|3,0,0]=4 452 B10R1.25 Cc1ccc(c(c1)F)NN AB27888 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.25 Cc1ccc(c(c1)N)C#N AB04357 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.25 Cc1ccc(c(c1)N)C=O AB58436 [0,1,0,0,0,0|2,0,0]=3 455 B10R1.25 Cc1ccc(c(c1)O)C#N AB11820 [0,1,0,0,0,0|2,0,0]=3 456 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [0,1,0,0,0,0|2,0,0]=3 457 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [0,1,0,0,0,0|2,0,0]=3 458 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [0,1,0,0,0,0|1,1,0]=3 459 B10R1.25 Cc1ccc(c(n1)Br)C=O AB55809 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.25 Cc1ccc(c(n1)C)C=O AB13970 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.25 Cc1ccc(c(n1)Cl)C=O AB32135 [0,1,0,0,0,0|3,0,0]=4 462 B10R1.25 Cc1ccc(c(n1)N)C=O AB27631 [0,1,0,0,0,0|3,0,0]=4 463 B10R1.25 Cc1ccc(c(n1)O)C=O AB42321 [0,1,0,0,0,0|2,0,0]=3 464 B10R1.25 Cc1cnc(c(n1)C)C=O AB73104 [0,1,0,0,0,0|2,0,1]=4 465 B10R1.25 c1c(c(cnc1Br)C=O)O AB72645 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.25 c1c(c(cnc1Cl)C=O)O AB69327 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.25 c1c(c(cnc1N)C=O)O AB84438 [0,1,0,0,0,0|3,0,0]=4 468 B10R1.25 c1c(c(cnc1O)C=O)O AB69704 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.25 c1c(cnc(c1Br)C=O)Br AB48580 [0,1,0,0,0,0|2,0,1]=4 470 B10R1.25 c1c(cnc(c1Cl)C=O)F AB70954 [0,1,0,0,0,0|2,0,1]=4 471 B10R1.25 c1c(cnc(c1F)C=O)Br PB11091 [0,1,0,0,0,0|2,0,1]=4 472 B10R1.25 c1c(cnc(c1F)C=O)Cl AB70957 [0,1,0,0,0,0|2,0,1]=4 473 B10R1.25 c1c(cnc(c1N)C=O)Br AB83734 [0,1,0,0,0,0|2,0,1]=4 474 B10R1.25 c1c(cnc(c1N)C=O)Cl AB83735 [0,1,0,0,0,0|2,0,1]=4 475 B10R1.25 c1c(cnc(c1N)C=O)N AB83749 [0,1,0,0,0,0|2,0,1]=4 476 B10R1.25 c1c(cnc(c1O)C=O)Br AB70969 [0,1,0,0,0,0|1,0,1]=3 477 B10R1.25 c1c(cnc(c1O)C=O)Cl AB75009 [0,1,0,0,0,0|1,0,1]=3 478 B10R1.25 c1c(cnc(c1O)C=O)N AB84581 [0,1,0,0,0,0|1,0,1]=3 479 B10R1.25 c1cc(c(cc1Br)Br)C=O AB66752 [0,1,0,0,0,0|3,0,0]=4 480 B10R1.25 c1cc(c(cc1Br)N)C=O AB45657 [0,1,0,0,0,0|3,0,0]=4 481 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [0,1,0,0,0,0|2,0,0]=3 482 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [0,1,0,0,0,0|3,0,0]=4 483 B10R1.25 c1cc(c(cc1Cl)Br)C=O MB06997 [0,1,0,0,0,0|3,0,0]=4 484 B10R1.25 c1cc(c(cc1Cl)N)C=O AB58432 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.25 c1cc(c(cc1Cl)O)C#N MB01011 [0,1,0,0,0,0|3,0,0]=4 486 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [0,1,0,0,0,0|2,0,0]=3 487 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.25 c1cc(c(cc1F)Br)C=O AB06851 [0,1,0,0,0,0|3,0,0]=4 489 B10R1.25 c1cc(c(cc1F)N)C=O AB55874 [0,1,0,0,0,0|3,0,0]=4 490 B10R1.25 c1cc(c(cc1F)O)C#N MB13366 [0,1,0,0,0,0|3,0,0]=4 491 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [0,1,0,0,0,0|3,0,0]=4 492 B10R1.25 c1cc(c(cc1I)O)C#N MB11881 [0,1,0,0,0,0|3,0,0]=4 493 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [0,1,0,0,0,0|2,0,0]=3 494 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [0,1,0,0,0,0|3,0,0]=4 495 B10R1.25 c1cc(c(cc1N)O)C#N AB53481 [0,1,0,0,0,0|3,0,0]=4 496 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [0,1,0,0,0,0|2,0,0]=3 497 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [0,1,0,0,0,0|3,0,0]=4 498 B10R1.25 c1cc(c(cc1O)Br)C=O MB25584 [0,1,0,0,0,0|3,0,0]=4 499 B10R1.25 c1cc(c(cc1O)I)C=O MB25658 [0,1,0,0,0,0|3,0,0]=4 500 B10R1.25 c1cc(c(cc1O)N)C=O MB38477 [0,1,0,0,0,0|3,0,0]=4 501 B10R1.25 c1cc(nc(c1C=O)O)Br AB84532 [0,1,0,0,0,0|3,0,0]=4 502 B10R1.25 c1cc(nc(c1C=O)O)Cl AB84535 [0,1,0,0,0,0|3,0,0]=4 503 B10R1.25 c1cc(nc(c1C=O)O)N AB84539 [0,1,0,0,0,0|3,0,0]=4 504 B10R1.30 CCc1cc(ccc1O)C MB23622 [0,1,0,0,0,0|2,0,1]=4 505 B10R1.30 COc1cc(ccc1Br)O MB00359 [0,1,0,0,0,0|3,0,0]=4 506 B10R1.30 COc1cc(ccc1Cl)O MB25434 [0,1,0,0,0,0|3,0,0]=4 507 B10R1.30 COc1cc(ccc1F)O MB08744 [0,1,0,0,0,0|3,0,0]=4 508 B10R1.30 COc1cc(ccc1I)Br CB11560 [0,1,0,0,0,0|3,0,0]=4 509 B10R1.30 COc1cc(ccc1I)O MB29625 [0,1,0,0,0,0|3,0,0]=4 510 B10R1.30 COc1cc(ccc1N)F MB00562 [0,1,0,0,0,0|3,0,0]=4 511 B10R1.30 COc1cc(ccc1N)O MB01122 [0,1,0,0,0,0|3,0,0]=4 512 B10R1.30 COc1cc(ccc1O)Br PB30583 [0,1,0,0,0,0|2,0,1]=4 513 B10R1.30 COc1cc(ccc1O)I MB05217 [0,1,0,0,0,0|2,0,1]=4 514 B10R1.30 COc1cc(cnc1Cl)Br AB43719 [0,1,0,0,0,0|2,0,1]=4 515 B10R1.30 COc1cc(cnc1Cl)F AB74801 [0,1,0,0,0,0|2,0,1]=4 516 B10R1.30 Cc1cc(c(cn1)Br)OC AB40816 [0,1,0,0,0,0|3,0,0]=4 517 B10R1.30 Cc1cc(c(nc1)Br)C=O AB71097 [0,1,0,0,0,0|1,0,2]=4 518 B10R1.30 Cc1cc(c(nc1)Br)CCl AB71047 [0,1,0,0,0,0|2,0,1]=4 519 B10R1.30 Cc1cc(c(nc1)C)C=O AB71657 [0,1,0,0,0,0|1,0,2]=4 520 B10R1.30 Cc1cc(c(nc1)C)CCl AB75394 [0,1,0,0,0,0|2,0,1]=4 521 B10R1.30 Cc1cc(c(nc1)C)CN AB76781 [0,1,0,0,0,0|2,0,1]=4 522 B10R1.30 Cc1cc(c(nc1)Cl)C#N AB41821 [0,1,0,0,0,0|2,0,1]=4 523 B10R1.30 Cc1cc(c(nc1)Cl)C=O AB41813 [0,1,0,0,0,0|1,0,2]=4 524 B10R1.30 Cc1cc(c(nc1)Cl)CCl AB71113 [0,1,0,0,0,0|2,0,1]=4 525 B10R1.30 Cc1cc(c(nc1)Cl)CN AB41819 [0,1,0,0,0,0|2,0,1]=4 526 B10R1.30 Cc1cc(c(nc1)F)C=O AB65261 [0,1,0,0,0,0|1,0,2]=4 527 B10R1.30 Cc1cc(c(nc1)F)CCl AB71237 [0,1,0,0,0,0|2,0,1]=4 528 B10R1.30 Cc1cc(c(nc1)F)CN AB65158 [0,1,0,0,0,0|2,0,1]=4 529 B10R1.30 Cc1cc(c(nc1)N)C=O AB51533 [0,1,0,0,0,0|1,0,2]=4 530 B10R1.30 Cc1cc(c(nc1)N)CCl AB70870 [0,1,0,0,0,0|2,0,1]=4 531 B10R1.30 Cc1cc(c(nc1)O)C#N AB64064 [0,1,0,0,0,0|1,0,2]=4 532 B10R1.30 Cc1cc(c(nc1)O)C=O AB71365 [0,1,0,0,0,0|0,0,3]=4 533 B10R1.30 Cc1ccc(c(c1)C#N)O MB36141 [0,1,0,0,0,0|2,0,1]=4 534 B10R1.30 Cc1ccc(c(c1)C=O)N AB58438 [0,1,0,0,0,0|2,0,1]=4 535 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [0,1,0,0,0,0|1,1,1]=4 536 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [0,1,0,0,0,0|3,0,0]=4 537 B10R1.30 Cc1ccc(cc1OC)O MB25418 [0,1,0,0,0,0|3,0,0]=4 538 B10R1.30 c1c(cnc(c1CO)Cl)Br PB17569 [0,1,0,0,0,0|2,0,1]=4 539 B10R1.30 c1c(cnc(c1CO)Cl)F AB13672 [0,1,0,0,0,0|2,0,1]=4 540 B10R1.30 c1c(cnc(c1CO)F)Br PB34780 [0,1,0,0,0,0|2,0,1]=4 541 B10R1.30 c1c(cnc(c1CO)N)Br AB22233 [0,1,0,0,0,0|2,0,1]=4 542 B10R1.30 c1c(cnc(c1CO)N)Br AB44376 [0,1,0,0,0,0|2,0,1]=4 543 B10R1.30 c1c(cnc(c1CO)N)I AB21855 [0,1,0,0,0,0|2,0,1]=4 544 B10R1.30 c1cc(c(cc1Br)CO)Cl MB02484 [0,1,0,0,0,0|3,0,0]=4 545 B10R1.30 c1cc(c(cc1Br)CO)N MB05459 [0,1,0,0,0,0|3,0,0]=4 546 B10R1.30 c1cc(c(cc1Cl)CO)N MB00550 [0,1,0,0,0,0|3,0,0]=4 547 B10R1.30 c1cc(c(cc1F)CO)N MB05463 [0,1,0,0,0,0|3,0,0]=4 548 B10R1.118 Cc1c(nc(c(n1)O)C)O AB44017 [0,1,0,0,0,0|2,0,1]=4 549 B10R1.118 Cc1cc(c(cc1Cl)Cl)N CB11300 [0,1,0,0,0,0|3,0,0]=4 550 B10R1.118 Cc1cc(c(cc1N)Cl)Br CB11038 [0,1,0,0,0,0|3,0,0]=4 551 B10R1.118 Cc1cc(c(nc1Br)Br)Br AB13867 [0,1,0,0,0,0|2,0,1]=4 552 B10R1.118 Cc1cc(c(nc1C)N)N AB66679 [0,1,0,0,0,0|2,0,1]=4 553 B10R1.119 Cc1ccc(c(c1O)C)O AB24905 [0,1,0,0,0,0|2,0,1]=4 554 B10R1.119 Cc1ccc(c(c1O)Cl)N AB13339 [0,1,0,0,0,0|3,0,0]=4 555 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [0,1,0,0,0,0|2,0,1]=4 556 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [0,1,0,0,0,0|2,0,1]=4 557 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [0,1,0,0,0,0|2,0,1]=4 558 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [0,1,0,0,0,0|2,0,1]=4 559 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [0,1,0,0,0,0|2,0,1]=4 560 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [0,1,0,0,0,0|2,0,0]=3 561 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [0,1,0,0,0,0|2,0,0]=3 562 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [0,1,0,0,0,0|2,0,0]=3 563 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [0,1,0,0,0,0|2,0,0]=3 564 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [0,1,0,0,0,0|2,0,0]=3 565 B10R1.176 CNc1ccc(c(c1)Br)O MB30977 [0,1,0,0,0,0|2,0,1]=4 566 B10R1.176 CNc1ccc(c(c1)Cl)O MB15061 [0,1,0,0,0,0|2,0,1]=4 567 B10R1.176 CNc1ccc(c(c1)F)O MB33460 [0,1,0,0,0,0|2,0,1]=4 568 B10R1.176 CNc1ccc(c(c1)I)O MB28237 [0,1,0,0,0,0|2,0,1]=4 569 B10R1.176 CNc1ccc(c(c1)N)O MB27818 [0,1,0,0,0,0|2,0,1]=4 570 B10R1.176 CNc1ccc(c(c1)O)Br MB32226 [0,1,0,0,0,0|2,0,0]=3 571 B10R1.176 CNc1ccc(c(c1)O)Cl MB28131 [0,1,0,0,0,0|2,0,0]=3 572 B10R1.176 CNc1ccc(c(c1)O)F MB37912 [0,1,0,0,0,0|2,0,0]=3 573 B10R1.176 CNc1ccc(c(c1)O)I MB26459 [0,1,0,0,0,0|2,0,0]=3 574 B10R1.176 CNc1ccc(c(c1)O)N MB25952 [0,1,0,0,0,0|2,0,0]=3 575 B10R1.176 COc1cc(c(cn1)Cl)O AB69300 [0,1,0,0,0,0|3,0,0]=4 576 B10R1.176 COc1cc(c(cn1)F)O AB69312 [0,1,0,0,0,0|3,0,0]=4 577 B10R1.176 COc1cc(c(nc1)Cl)N AB62900 [0,1,0,0,0,0|2,0,1]=4 578 B10R1.176 COc1cc(c(nc1)Cl)O AB71170 [0,1,0,0,0,0|1,0,1]=3 579 B10R1.176 COc1cc(c(nc1)N)Cl AB70867 [0,1,0,0,0,0|2,0,1]=4 580 B10R1.176 COc1cc(c(nc1)O)Cl AB71174 [0,1,0,0,0,0|1,0,2]=4 581 B10R1.176 COc1ccc(c(c1)Br)I CB11658 [0,1,0,0,0,0|3,0,0]=4 582 B10R1.176 COc1ccc(c(c1)Br)N AB49251 [0,1,0,0,0,0|3,0,0]=4 583 B10R1.176 COc1ccc(c(c1)Br)O AB10935 [0,1,0,0,0,0|2,0,1]=4 584 B10R1.176 COc1ccc(c(c1)F)N AB09440 [0,1,0,0,0,0|3,0,0]=4 585 B10R1.176 COc1ccc(c(c1)I)N AB42374 [0,1,0,0,0,0|3,0,0]=4 586 B10R1.176 COc1ccc(c(c1)I)O MB07821 [0,1,0,0,0,0|2,0,1]=4 587 B10R1.176 COc1ccc(c(c1)N)I AB45640 [0,1,0,0,0,0|3,0,0]=4 588 B10R1.176 COc1ccc(c(c1)N)N AB02069 [0,1,0,0,0,0|3,0,0]=4 589 B10R1.176 COc1ccc(c(c1)N)O AB25358 [0,1,0,0,0,0|2,0,1]=4 590 B10R1.176 COc1ccc(c(c1)O)Br MB02872 [0,1,0,0,0,0|2,0,0]=3 591 B10R1.176 COc1ccc(c(c1)O)F MB25573 [0,1,0,0,0,0|2,0,0]=3 592 B10R1.176 COc1ccc(c(c1)O)I MB12203 [0,1,0,0,0,0|2,0,0]=3 593 B10R1.176 COc1ccc(c(n1)O)Cl AB75736 [0,1,0,0,0,0|3,0,0]=4 594 B10R1.176 CSc1ccc(c(c1)Br)O MB09158 [0,1,0,0,0,0|2,0,1]=4 595 B10R1.176 CSc1ccc(c(c1)Cl)O MB31036 [0,1,0,0,0,0|2,0,1]=4 596 B10R1.176 CSc1ccc(c(c1)F)O MB25631 [0,1,0,0,0,0|2,0,1]=4 597 B10R1.176 CSc1ccc(c(c1)I)O MB38361 [0,1,0,0,0,0|2,0,1]=4 598 B10R1.176 CSc1ccc(c(c1)N)O MB34167 [0,1,0,0,0,0|2,0,1]=4 599 B10R1.176 CSc1ccc(c(c1)O)Cl MB33637 [0,1,0,0,0,0|2,0,0]=3 600 B10R1.176 CSc1ccc(c(c1)O)F MB25520 [0,1,0,0,0,0|2,0,0]=3 601 B10R1.176 CSc1ccc(c(c1)O)I MB38424 [0,1,0,0,0,0|2,0,0]=3 602 B10R1.176 Cc1c(cc(cn1)CCl)Cl AB74647 [0,1,0,0,0,0|2,0,1]=4 603 B10R1.176 Cc1c(cc(cn1)CCl)F AB76305 [0,1,0,0,0,0|2,0,1]=4 604 B10R1.176 Cc1c(cc(cn1)CN)Cl AB74649 [0,1,0,0,0,0|2,0,1]=4 605 B10R1.176 Cc1c(cc(cn1)CN)F AB76308 [0,1,0,0,0,0|2,0,1]=4 606 B10R1.176 Cc1c(cc(cn1)OC)N AB73554 [0,1,0,0,0,0|2,0,1]=4 607 B10R1.176 Cc1cc(ccc1Br)CO AB50387 [0,1,0,0,0,0|3,0,0]=4 608 B10R1.176 Cc1cc(ccc1O)CN MB05062 [0,1,0,0,0,0|2,0,1]=4 609 B10R1.176 Cc1cc(ccc1O)NC MB07546 [0,1,0,0,0,0|2,0,1]=4 610 B10R1.176 Cc1cc(cnc1Br)OC AB74660 [0,1,0,0,0,0|2,0,1]=4 611 B10R1.176 Cc1cc(cnc1C)CCl AB75391 [0,1,0,0,0,0|2,0,1]=4 612 B10R1.176 Cc1cc(cnc1C)CN AB70585 [0,1,0,0,0,0|2,0,1]=4 613 B10R1.176 Cc1cc(cnc1C)OC AB85300 [0,1,0,0,0,0|2,0,1]=4 614 B10R1.176 Cc1cc(cnc1Cl)CCl AB50053 [0,1,0,0,0,0|2,0,1]=4 615 B10R1.176 Cc1cc(cnc1Cl)CN AB74569 [0,1,0,0,0,0|2,0,1]=4 616 B10R1.176 Cc1cc(cnc1Cl)OC AB71233 [0,1,0,0,0,0|2,0,1]=4 617 B10R1.176 Cc1cc(cnc1F)CCl AB64242 [0,1,0,0,0,0|2,0,1]=4 618 B10R1.176 Cc1cc(cnc1F)CN AB83087 [0,1,0,0,0,0|2,0,1]=4 619 B10R1.176 Cc1cc(cnc1N)OC AB73557 [0,1,0,0,0,0|2,0,1]=4 620 B10R1.176 Cc1ccc(cc1O)C#N MB06106 [0,1,0,0,0,0|2,0,1]=4 621 B10R1.176 Cc1ccc(cc1O)C=O MB01933 [0,1,0,0,0,0|2,0,1]=4 622 B10R1.176 Cc1ccc(cc1O)NC MB25401 [0,1,0,0,0,0|2,0,0]=3 623 B10R1.176 Cc1ccc(cc1O)OC MB11905 [0,1,0,0,0,0|2,0,0]=3 624 B10R1.176 Cc1ccc(cc1O)SC MB25438 [0,1,0,0,0,0|2,0,0]=3 625 B10R1.176 Cn1cc(ccc1=O)CN PB15234 [0,1,0,0,0,0|3,0,0]=4 626 B10R1.176 Cn1cc(ccc1=O)CO PB22835 [0,1,0,0,0,0|3,0,0]=4 627 B10R1.176 c1c(cnc(c1Cl)F)CCl AB70972 [0,1,0,0,0,0|2,0,1]=4 628 B10R1.176 c1c(cnc(c1Cl)F)CN AB75050 [0,1,0,0,0,0|2,0,1]=4 629 B10R1.176 c1c(cnc(c1Cl)N)CN AB83951 [0,1,0,0,0,0|2,0,1]=4 630 B10R1.176 c1c(cnc(c1Cl)O)CCl AB70975 [0,1,0,0,0,0|1,0,2]=4 631 B10R1.176 c1c(cnc(c1Cl)O)CN AB84069 [0,1,0,0,0,0|1,0,2]=4 632 B10R1.176 c1c(cnc(c1F)Br)CCl AB70984 [0,1,0,0,0,0|2,0,1]=4 633 B10R1.176 c1c(cnc(c1F)Br)CN AB76972 [0,1,0,0,0,0|2,0,1]=4 634 B10R1.176 c1c(cnc(c1F)Cl)CCl AB70665 [0,1,0,0,0,0|2,0,1]=4 635 B10R1.176 c1c(cnc(c1F)Cl)CN AB74576 [0,1,0,0,0,0|2,0,1]=4 636 B10R1.176 c1c(cnc(c1O)Cl)C=O AB62785 [0,1,0,0,0,0|1,0,2]=4 637 B10R1.176 c1c(cnc(c1O)Cl)CCl AB84103 [0,1,0,0,0,0|1,0,1]=3 638 B10R1.176 c1c(cnc(c1O)Cl)CN AB84104 [0,1,0,0,0,0|1,0,1]=3 639 B10R1.176 c1c(ncc(c1O)Cl)CCl AB84042 [0,1,0,0,0,0|3,0,0]=4 640 B10R1.176 c1c(ncc(c1O)Cl)CN AB84044 [0,1,0,0,0,0|3,0,0]=4 641 B10R1.176 c1cc(c(cc1C#N)O)Br MB25476 [0,1,0,0,0,0|2,0,1]=4 642 B10R1.176 c1cc(c(cc1C#N)O)Cl MB25577 [0,1,0,0,0,0|2,0,1]=4 643 B10R1.176 c1cc(c(cc1C#N)O)I MB12046 [0,1,0,0,0,0|2,0,1]=4 644 B10R1.176 c1cc(c(cc1C#N)O)N MB03898 [0,1,0,0,0,0|2,0,1]=4 645 B10R1.176 c1cc(c(cc1C=O)O)Br MB09255 [0,1,0,0,0,0|2,0,1]=4 646 B10R1.176 c1cc(c(cc1C=O)O)Cl MB25536 [0,1,0,0,0,0|2,0,1]=4 647 B10R1.176 c1cc(c(cc1C=O)O)F MB09319 [0,1,0,0,0,0|2,0,1]=4 648 B10R1.176 c1cc(c(cc1C=O)O)N MB34962 [0,1,0,0,0,0|2,0,1]=4 649 B10R1.176 c1cc(c(cc1CBr)I)F AB44169 [0,1,0,0,0,0|3,0,0]=4 650 B10R1.176 c1cc(c(cc1CN)Br)O MB02719 [0,1,0,0,0,0|2,0,1]=4 651 B10R1.176 c1cc(c(cc1CN)Cl)O MB03734 [0,1,0,0,0,0|2,0,1]=4 652 B10R1.176 c1cc(c(cc1CN)F)N AB50278 [0,1,0,0,0,0|3,0,0]=4 653 B10R1.176 c1cc(c(cc1CN)F)O MB03723 [0,1,0,0,0,0|2,0,1]=4 654 B10R1.176 c1cc(c(cc1CN)I)O MB27028 [0,1,0,0,0,0|2,0,1]=4 655 B10R1.176 c1cc(c(cc1CN)N)O MB37291 [0,1,0,0,0,0|2,0,1]=4 656 B10R1.176 c1cc(c(cc1CN)O)Br MB27292 [0,1,0,0,0,0|2,0,0]=3 657 B10R1.176 c1cc(c(cc1CN)O)Cl MB25545 [0,1,0,0,0,0|2,0,0]=3 658 B10R1.176 c1cc(c(cc1CN)O)F MB35973 [0,1,0,0,0,0|2,0,0]=3 659 B10R1.176 c1cc(c(cc1CN)O)I MB25685 [0,1,0,0,0,0|2,0,0]=3 660 B10R1.176 c1cc(c(cc1CN)O)N MB29053 [0,1,0,0,0,0|2,0,0]=3 661 B10R1.176 c1cc(c(cc1CO)F)Br AB44195 [0,1,0,0,0,0|3,0,0]=4 662 B10R1.176 c1cc(c(nc1CCl)O)Cl AB71004 [0,1,0,0,0,0|3,0,0]=4 663 B10R1.176 c1cc(c(nc1CN)O)Cl AB84086 [0,1,0,0,0,0|3,0,0]=4 664 B8R1.18 Cc1[nH]c(c(n1)Br)Br AB06612 [0,0,0,0,1,0|3,0,0]=4 665 B8R1.18 Cc1[nH]c(c(n1)I)I AB06210 [0,0,0,0,1,0|3,0,0]=4 666 B7R1.3 Cc1cccnn1 PB33649 [2,0,0,0,0,0|1,0,1]=4 667 B7R1.3 Cc1ccnnc1 PB24546 [2,0,0,0,0,0|1,0,1]=4 668 B7R1.3 c1c(cncn1)O PB27730 [2,0,0,0,0,0|1,0,1]=4 669 B7R1.3 c1cc(cnc1)Br AB00739 [2,0,0,0,0,0|1,0,1]=4 670 B7R1.3 c1cc(cnc1)I AB01382 [2,0,0,0,0,0|1,0,1]=4 671 B7R1.3 c1cc(cnc1)[O-] MB00567 [2,0,0,0,0,0|0,0,2]=4 672 B7R1.3 c1cc(nnc1)O PB32258 [2,0,0,0,0,0|1,0,1]=4 673 B7R1.3 c1ccnc(c1)Br AB00627 [2,0,0,0,0,0|1,0,1]=4 674 B7R1.3 c1cnc(cn1)O AB05056 [2,0,0,0,0,0|1,0,1]=4 675 B7R1.3 c1cnccc1O PB17041 [2,0,0,0,0,0|2,0,0]=4 676 B9R1.1 C1C=C(C=NC1=O)CN PB26360 [1,1,0,0,0,0|0,0,2]=4 677 B9R1.1 CCc1ccc(nc1)Br MB10294 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.1 CNc1ccc(nc1)Br MB01005 [1,1,0,0,0,0|1,0,1]=4 679 B9R1.1 CNc1ccc(nc1)Cl AB60605 [1,1,0,0,0,0|1,0,1]=4 680 B9R1.1 COc1c[nH]c(=O)nc1 AB60177 [1,1,0,0,0,0|1,0,0]=3 681 B9R1.1 COc1ccc(nc1)Br PB22062 [1,1,0,0,0,0|1,0,1]=4 682 B9R1.1 COc1ccc(nc1)Cl AB25956 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.1 COc1ccc(nc1)F AB66773 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.1 COc1ccc(nc1)I AB11726 [1,1,0,0,0,0|1,0,1]=4 685 B9R1.1 COc1ccc(nc1)N PB14487 [1,1,0,0,0,0|1,0,1]=4 686 B9R1.1 CSc1ccc(nc1)Br MB03440 [1,1,0,0,0,0|1,0,1]=4 687 B9R1.1 Cc1ccc(cn1)C=O PB17503 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.1 Cc1ccc(cn1)CCl AB59938 [1,1,0,0,0,0|1,0,1]=4 689 B9R1.1 Cc1ccc(cn1)CN PB20145 [1,1,0,0,0,0|1,0,1]=4 690 B9R1.1 Cc1ccc(cn1)OC AB52739 [1,1,0,0,0,0|1,0,1]=4 691 B9R1.1 Cc1ccc(nc1)C=O AB31466 [1,1,0,0,0,0|0,0,1]=3 692 B9R1.1 Cc1ccc(nc1)CCl AB59994 [1,1,0,0,0,0|1,0,1]=4 693 B9R1.1 Cc1ccc(nc1)CN AB48926 [1,1,0,0,0,0|1,0,1]=4 694 B9R1.1 Cc1ccc(nn1)C=O AB44106 [1,1,0,0,0,0|1,0,1]=4 695 B9R1.1 Cc1cnc(cn1)C=O PB23818 [1,1,0,0,0,0|1,0,1]=4 696 B9R1.1 Cc1cnc(nc1)C=O PB31489 [1,1,0,0,0,0|1,0,1]=4 697 B9R1.1 c1cc(ccc1CBr)Br AB00113 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.1 c1cc(ccc1CI)O MB06957 [1,1,0,0,0,0|1,0,1]=4 700 B9R1.1 c1cc(ccc1CN)O AB11678 [1,1,0,0,0,0|1,0,1]=4 701 B9R1.1 c1cc(ncc1Br)C=O PB30785 [1,1,0,0,0,0|1,0,1]=4 702 B9R1.1 c1cc(ncc1CBr)F PB28287 [1,1,0,0,0,0|1,0,1]=4 703 B9R1.1 c1cc(ncc1CCl)Br AB59933 [1,1,0,0,0,0|1,0,1]=4 704 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [1,1,0,0,0,0|1,0,1]=4 705 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [1,1,0,0,0,0|1,0,1]=4 706 B9R1.1 c1cc(ncc1CCl)F PB13291 [1,1,0,0,0,0|1,0,1]=4 707 B9R1.1 c1cc(ncc1CCl)N AB59930 [1,1,0,0,0,0|1,0,1]=4 708 B9R1.1 c1cc(ncc1CN)Br AB27793 [1,1,0,0,0,0|1,0,1]=4 709 B9R1.1 c1cc(ncc1CN)Cl PB17175 [1,1,0,0,0,0|1,0,1]=4 710 B9R1.1 c1cc(ncc1CN)F PB19133 [1,1,0,0,0,0|1,0,1]=4 711 B9R1.1 c1cc(ncc1CO)Br PB14409 [1,1,0,0,0,0|1,0,1]=4 712 B9R1.1 c1cc(ncc1CO)Cl PB17199 [1,1,0,0,0,0|1,0,1]=4 713 B9R1.1 c1cc(ncc1CO)F PB14327 [1,1,0,0,0,0|1,0,1]=4 714 B9R1.1 c1cc(ncc1CO)N PB26211 [1,1,0,0,0,0|1,0,1]=4 715 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [1,1,0,0,0,0|1,0,1]=4 716 B9R1.1 c1cc(ncc1F)C=O AB42648 [1,1,0,0,0,0|1,0,1]=4 717 B9R1.1 c1cc(ncc1N)C=O AB67740 [1,1,0,0,0,0|1,0,1]=4 718 B9R1.1 c1cc(ncc1O)C=O AB59867 [1,1,0,0,0,0|1,0,1]=4 719 B9R1.2 CCc1cc(ccn1)O MB11624 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.2 CCc1cc(cnc1)Br PB34416 [1,1,0,0,0,0|1,0,1]=4 721 B9R1.2 CCc1cc(cnc1)O MB12329 [1,1,0,0,0,0|0,0,1]=3 722 B9R1.2 CNc1cc(ccn1)O MB29569 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.2 CNc1cc(cnc1)Br MB13417 [1,1,0,0,0,0|1,0,1]=4 724 B9R1.2 CNc1cc(cnc1)O MB32689 [1,1,0,0,0,0|0,0,1]=3 725 B9R1.2 CNc1cccc(c1)O MB25493 [1,1,0,0,0,0|1,0,0]=3 726 B9R1.2 COc1cc(ccn1)O MB11972 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.2 COc1cc(cnc1)Br PB24634 [1,1,0,0,0,0|1,0,1]=4 728 B9R1.2 COc1cc(cnc1)Cl AB55073 [1,1,0,0,0,0|1,0,1]=4 729 B9R1.2 COc1cc(cnc1)F AB66777 [1,1,0,0,0,0|1,0,1]=4 730 B9R1.2 COc1cc(cnc1)I AB43793 [1,1,0,0,0,0|1,0,1]=4 731 B9R1.2 COc1cc(cnc1)N PB12653 [1,1,0,0,0,0|1,0,1]=4 732 B9R1.2 COc1cc(cnc1)N PB25488 [1,1,0,0,0,0|1,0,1]=4 733 B9R1.2 COc1cc(cnc1)O AB29711 [1,1,0,0,0,0|0,0,1]=3 734 B9R1.2 COc1cccc(n1)O AB31854 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.2 CSc1cc(ccn1)O MB36936 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.2 CSc1cc(cnc1)Br MB06469 [1,1,0,0,0,0|1,0,1]=4 737 B9R1.2 CSc1cc(cnc1)O MB28894 [1,1,0,0,0,0|0,0,1]=3 738 B9R1.2 Cc1cc(cnc1)C=O PB18860 [1,1,0,0,0,0|0,0,2]=4 739 B9R1.2 Cc1cc(cnc1)CCl AB55820 [1,1,0,0,0,0|1,0,1]=4 740 B9R1.2 Cc1cc(cnc1)CN AB23459 [1,1,0,0,0,0|1,0,1]=4 741 B9R1.2 Cc1cc(cnc1)CO PB10532 [1,1,0,0,0,0|0,0,1]=3 742 B9R1.2 Cc1cc(cnc1)OC AB64998 [1,1,0,0,0,0|0,0,1]=3 743 B9R1.2 c1c(cncc1Br)CCl AB60029 [1,1,0,0,0,0|1,0,1]=4 744 B9R1.2 c1c(cncc1Br)CCl PB25120 [1,1,0,0,0,0|1,0,1]=4 745 B9R1.2 c1c(cncc1Br)CN PB23445 [1,1,0,0,0,0|1,0,1]=4 746 B9R1.2 c1c(cncc1Br)CO PB29242 [1,1,0,0,0,0|1,0,1]=4 747 B9R1.2 c1c(cncc1Cl)CCl AB60038 [1,1,0,0,0,0|1,0,1]=4 748 B9R1.2 c1c(cncc1Cl)CCl PB33259 [1,1,0,0,0,0|1,0,1]=4 749 B9R1.2 c1c(cncc1Cl)CN AB63152 [1,1,0,0,0,0|1,0,1]=4 750 B9R1.2 c1c(cncc1F)CCl PB35002 [1,1,0,0,0,0|1,0,1]=4 751 B9R1.2 c1c(cncc1F)CN PB29533 [1,1,0,0,0,0|1,0,1]=4 752 B9R1.2 c1c(cncc1F)CO PB12255 [1,1,0,0,0,0|1,0,1]=4 753 B9R1.2 c1c(cncc1I)CCl AB45545 [1,1,0,0,0,0|1,0,1]=4 754 B9R1.2 c1c(cncc1I)CO AB45541 [1,1,0,0,0,0|1,0,1]=4 755 B9R1.2 c1c(cncc1N)CN AB31384 [1,1,0,0,0,0|1,0,1]=4 756 B9R1.2 c1c(cncc1N)CO AB31625 [1,1,0,0,0,0|1,0,1]=4 757 B9R1.2 c1c(cncc1O)C#N MB09110 [1,1,0,0,0,0|0,0,2]=4 758 B9R1.2 c1c(cncc1O)C=O AB67779 [1,1,0,0,0,0|0,0,2]=4 759 B9R1.2 c1c(cncc1O)CN MB28837 [1,1,0,0,0,0|0,0,1]=3 760 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [1,1,0,0,0,0|2,0,0]=4 761 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [1,1,0,0,0,0|1,0,0]=3 762 B9R1.2 c1cnc(cc1O)CN MB14853 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.3 Cc1c(c(ccn1)O)Cl AB71193 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.3 Cc1c(cccc1Br)O MB09253 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.3 Cc1c(cccc1I)O MB23347 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.3 Cc1c(cncc1Cl)O AB70586 [1,1,0,0,0,0|1,0,1]=4 767 B9R1.3 Cc1c(nccc1O)C AB75493 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.3 Cc1cccc(c1Br)O MB08359 [1,1,0,0,0,0|1,0,0]=3 769 B9R1.3 Cc1cccc(c1Cl)O MB00390 [1,1,0,0,0,0|1,0,0]=3 770 B9R1.3 Cc1cccc(c1F)N AB25121 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.3 Cc1cccc(c1I)O MB23494 [1,1,0,0,0,0|1,0,0]=3 772 B9R1.3 Cc1cccc(c1N)Br MB03160 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.3 Cc1cccc(c1N)F MB03934 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.3 Cc1cccc(c1O)F MB11516 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.3 Cc1cccc(c1O)I MB23471 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.3 Cc1cccc(c1O)N MB02950 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.3 Cc1ccnc(c1C)O AB66577 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.3 Cc1ccnc(c1Cl)O AB71192 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.3 Cc1cncc(c1Br)C AB53717 [1,1,0,0,0,0|1,0,1]=4 780 B9R1.3 Cc1cncc(c1Br)Cl AB74973 [1,1,0,0,0,0|1,0,1]=4 781 B9R1.3 Cc1cncc(c1Br)F AB74996 [1,1,0,0,0,0|1,0,1]=4 782 B9R1.3 Cc1cncc(c1C)Br AB64494 [1,1,0,0,0,0|1,0,1]=4 783 B9R1.3 Cc1cncc(c1C)N AB76783 [1,1,0,0,0,0|1,0,1]=4 784 B9R1.3 Cc1cncc(c1C)O AB65620 [1,1,0,0,0,0|0,0,1]=3 785 B9R1.3 Cc1cncc(c1Cl)Br AB75732 [1,1,0,0,0,0|1,0,1]=4 786 B9R1.3 Cc1cncc(c1Cl)C AB50483 [1,1,0,0,0,0|1,0,1]=4 787 B9R1.3 Cc1cncc(c1Cl)N AB75728 [1,1,0,0,0,0|1,0,1]=4 788 B9R1.3 Cc1cncc(c1Cl)O AB71654 [1,1,0,0,0,0|0,0,1]=3 789 B9R1.3 Cc1cncc(c1F)Br AB74994 [1,1,0,0,0,0|1,0,1]=4 790 B9R1.3 Cc1cncc(c1F)N AB66587 [1,1,0,0,0,0|1,0,1]=4 791 B9R1.3 Cc1cncc(c1F)O AB82936 [1,1,0,0,0,0|0,0,1]=3 792 B9R1.3 Cc1cncc(c1N)C AB14443 [1,1,0,0,0,0|1,0,1]=4 793 B9R1.3 Cc1cncc(c1N)Cl AB44879 [1,1,0,0,0,0|1,0,1]=4 794 B9R1.3 Cc1cncc(c1N)F AB75360 [1,1,0,0,0,0|1,0,1]=4 795 B9R1.3 Cc1cncc(c1N)N AB60255 [1,1,0,0,0,0|1,0,1]=4 796 B9R1.3 Cc1cncc(c1O)C AB82550 [1,1,0,0,0,0|1,0,1]=4 797 B9R1.3 Cc1cncc(c1O)Cl AB75744 [1,1,0,0,0,0|1,0,1]=4 798 B9R1.3 Cc1cncc(c1O)F AB25961 [1,1,0,0,0,0|1,0,1]=4 799 B9R1.3 c1c(c(c(cn1)Br)Cl)O AB74970 [1,1,0,0,0,0|1,0,1]=4 800 B9R1.3 c1c(c(c(cn1)Cl)F)O AB82968 [1,1,0,0,0,0|1,0,1]=4 801 B9R1.3 c1c(c(c(cn1)Cl)N)O AB83899 [1,1,0,0,0,0|1,0,1]=4 802 B9R1.3 c1c(c(c(cn1)Cl)O)O AB84021 [1,1,0,0,0,0|1,0,1]=4 803 B9R1.3 c1c(c(c(cn1)F)Cl)O AB83144 [1,1,0,0,0,0|1,0,1]=4 804 B9R1.3 c1c(c(c(cn1)O)Cl)N AB83874 [1,1,0,0,0,0|1,0,1]=4 805 B9R1.3 c1c(c(c(cn1)O)Cl)O AB83993 [1,1,0,0,0,0|1,0,1]=4 806 B9R1.3 c1cc(c(c(c1)Br)Br)O MB05354 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.3 c1cc(c(c(c1)Br)I)O MB05341 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.3 c1cc(c(c(c1)Cl)Br)O MB03079 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.3 c1cc(c(c(c1)Cl)I)O MB05351 [1,1,0,0,0,0|2,0,0]=4 810 B9R1.3 c1cc(c(c(c1)Cl)N)O MB10127 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.3 c1cc(c(c(c1)F)Br)O MB03082 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.3 c1cc(c(c(c1)F)Cl)O MB05350 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.3 c1cc(c(c(c1)F)I)O MB05358 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.3 c1cc(c(c(c1)I)Br)O MB05348 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.3 c1cc(c(c(c1)I)Cl)O MB05352 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.3 c1cc(c(c(c1)I)F)O MB12056 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.3 c1cc(c(c(c1)I)I)O MB05357 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.3 c1cc(c(c(c1)I)N)O MB03004 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.3 c1cc(c(c(c1)O)Br)N MB10095 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.3 c1cc(c(c(c1)O)Cl)N MB09140 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.3 c1cc(c(c(c1)O)F)N MB25684 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.3 c1cc(c(c(c1)O)I)N MB09919 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.34 Cc1cc([nH]c(=O)c1)O PB33379 [1,1,0,0,0,0|2,0,0]=4 824 B9R1.34 Cc1cc(cc(c1)Br)Cl AB45173 [1,1,0,0,0,0|2,0,0]=4 825 B9R1.34 Cc1cc(cc(c1)Br)F AB10112 [1,1,0,0,0,0|2,0,0]=4 826 B9R1.34 Cc1cc(cc(c1)Br)O MB06890 [1,1,0,0,0,0|1,0,0]=3 827 B9R1.34 Cc1cc(cc(c1)Cl)Cl MB00382 [1,1,0,0,0,0|2,0,0]=4 828 B9R1.34 Cc1cc(cc(c1)Cl)F AB13848 [1,1,0,0,0,0|2,0,0]=4 829 B9R1.34 Cc1cc(cc(c1)Cl)O MB05590 [1,1,0,0,0,0|1,0,0]=3 830 B9R1.34 Cc1cc(cc(c1)I)O MB11871 [1,1,0,0,0,0|1,0,0]=3 831 B9R1.34 Cc1cc(cc(c1)O)N MB00602 [1,1,0,0,0,0|1,0,0]=3 832 B9R1.34 Cc1cc(cc(n1)C)O AB07775 [1,1,0,0,0,0|2,0,0]=4 833 B9R1.34 Cc1cc(cc(n1)O)Cl AB71203 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.34 Cc1cc(cc(n1)O)F AB71321 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.34 Cc1cc(cc(n1)O)O AB10075 [1,1,0,0,0,0|2,0,0]=4 836 B9R1.34 Cc1cc(nc(c1)Cl)O AB71189 [1,1,0,0,0,0|2,0,0]=4 837 B9R1.34 Cc1cc(nc(c1)F)O AB71308 [1,1,0,0,0,0|2,0,0]=4 838 B9R1.34 Cc1cc(nc(c1)O)C AB07368 [1,1,0,0,0,0|2,0,0]=4 839 B9R1.34 c1c(cc(cc1Br)I)O MB11855 [1,1,0,0,0,0|2,0,0]=4 840 B9R1.34 c1c(cc(cc1Cl)Br)O AB42547 [1,1,0,0,0,0|2,0,0]=4 841 B9R1.34 c1c(cc(cc1Cl)I)O MB11857 [1,1,0,0,0,0|2,0,0]=4 842 B9R1.34 c1c(cc(cc1F)I)O MB26711 [1,1,0,0,0,0|2,0,0]=4 843 B9R1.34 c1c(cc(cc1I)I)O MB11867 [1,1,0,0,0,0|2,0,0]=4 844 B9R1.34 c1c(cc(cc1O)Br)N MB25497 [1,1,0,0,0,0|2,0,0]=4 845 B9R1.34 c1c(cc(cc1O)F)N MB11825 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.34 c1c(cc(cc1O)I)N MB34300 [1,1,0,0,0,0|2,0,0]=4 847 B9R1.15 CCc1c(cccn1)O MB01433 [1,1,0,0,0,0|1,0,1]=4 848 B9R1.15 COc1c(cccn1)O AB06074 [1,1,0,0,0,0|0,0,2]=4 849 B9R1.15 COc1cccnc1Br PB29151 [1,1,0,0,0,0|1,0,1]=4 850 B9R1.15 COc1cccnc1Cl AB14749 [1,1,0,0,0,0|1,0,1]=4 851 B9R1.15 COc1cccnc1I AB05182 [1,1,0,0,0,0|1,0,1]=4 852 B9R1.15 COc1cccnc1N AB40614 [1,1,0,0,0,0|1,0,1]=4 853 B9R1.15 COc1cccnc1O AB43293 [1,1,0,0,0,0|0,0,2]=4 854 B9R1.15 CSc1c(cccn1)O MB01598 [1,1,0,0,0,0|0,1,1]=4 855 B9R1.15 Cc1c(cccn1)CO AB01512 [1,1,0,0,0,0|1,0,1]=4 856 B9R1.15 Cc1c(cccn1)OC AB03569 [1,1,0,0,0,0|1,0,1]=4 857 B9R1.15 Cc1cccnc1C=O PB14292 [1,1,0,0,0,0|1,0,1]=4 858 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [1,1,0,0,0,0|1,0,1]=4 859 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [1,1,0,0,0,0|1,0,1]=4 860 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [1,1,0,0,0,0|1,0,1]=4 861 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [1,1,0,0,0,0|1,0,1]=4 862 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,1,0,0,0,0|0,0,1]=3 863 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,1,0,0,0,0|1,0,1]=4 864 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,1,0,0,0,0|0,0,2]=4 865 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [1,1,0,0,0,0|1,0,1]=4 866 B9R1.15 c1cc(c(nc1)N)CO PB32383 [1,1,0,0,0,0|1,0,1]=4 867 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,1,0,0,0,0|0,0,2]=4 869 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,1,0,0,0,0|2,0,0]=4 870 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,1,0,0,0,0|2,0,0]=4 871 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.15 c1cn[nH]c(=O)c1CN PB11396 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.15 c1cncc(c1C=O)O AB08714 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.15 c1cncc(c1O)C=O AB59870 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.37 CC1C(=C(C(=O)O1)O)O CB11384 [0,1,0,0,1,0|1,0,1]=4 876 B9R1.27 CCC1=C(CNC1=O)C AB04375 [0,1,0,0,1,0|1,0,1]=4 877 B11R1.14 c1c(cc(c(c1O)F)F)CBr AB21050 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.14 c1c(cc(c(c1O)F)F)CO AB21044 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.37 COc1cc(ccc1C=O)Br AB44855 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.37 Cc1cnc(c(n1)OC)C=O AB60450 [0,2,0,0,0,0|1,0,1]=4 881 B11R1.166 B(c1ccc(cc1O)C)(O)O PB11677 [0,2,0,0,0,0|1,0,1]=4 882 B11R1.166 CC(=O)c1c(cc(cn1)Br)O AB84315 [0,2,0,0,0,0|1,0,1]=4 883 B11R1.166 CC(=O)c1c(cc(cn1)Cl)O AB75011 [0,2,0,0,0,0|1,0,1]=4 884 B11R1.166 CC(=O)c1c(cc(cn1)N)O AB84318 [0,2,0,0,0,0|1,0,1]=4 885 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.166 Cc1cc(c(cn1)C(=O)C)O AB75251 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [0,2,0,0,0,0|2,0,0]=4 888 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [0,2,0,0,0,0|1,0,1]=4 889 B11R1.166 Cc1cc(c(nc1)C(=O)C)Cl AB75090 [0,2,0,0,0,0|1,0,1]=4 890 B11R1.166 Cc1cc(c(nc1)C(=O)C)F AB75164 [0,2,0,0,0,0|1,0,1]=4 891 B11R1.166 Cc1cc(c(nc1)C(=O)C)N AB77150 [0,2,0,0,0,0|1,0,1]=4 892 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [0,2,0,0,0,0|0,0,1]=3 893 B11R1.166 Cc1cc(c(nc1)C(=O)O)C AB53520 [0,2,0,0,0,0|1,0,1]=4 894 B11R1.166 Cc1cc(c(nc1)C(=O)O)Cl AB74925 [0,2,0,0,0,0|1,0,1]=4 895 B11R1.166 Cc1cc(c(nc1)C(=O)O)F PB30310 [0,2,0,0,0,0|1,0,1]=4 896 B11R1.166 Cc1cc(c(nc1)C(=O)O)N AB66555 [0,2,0,0,0,0|1,0,1]=4 897 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,2,0,0,0,0|1,0,0]=3 898 B11R1.166 Cc1ccc(c(c1)O)C(C)C MB00129 [0,2,0,0,0,0|2,0,0]=4 899 B11R1.166 Cc1ccc(c(c1)O)N(C)C MB23428 [0,2,0,0,0,0|2,0,0]=4 900 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.166 Cc1ccc(c(n1)O)[N+](=O)[O-] AB12817 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.166 Cc1cnc(c(n1)O)C(=O)O AB48562 [0,2,0,0,0,0|1,0,1]=4 903 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [0,2,0,0,0,0|2,0,0]=4 904 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] MB02640 [0,2,0,0,0,0|2,0,0]=4 905 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [0,2,0,0,0,0|2,0,0]=4 906 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] AB00840 [0,2,0,0,0,0|2,0,0]=4 908 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [0,2,0,0,0,0|2,0,0]=4 909 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [0,2,0,0,0,0|2,0,0]=4 910 B11R1.279 CCc1ccc(c(c1)O)C#N AB50292 [0,2,0,0,0,0|2,0,0]=4 911 B11R1.279 CCc1ccc(c(c1)O)C=O MB23811 [0,2,0,0,0,0|1,0,0]=3 912 B11R1.279 CCc1ccc(c(c1)O)CC MB23814 [0,2,0,0,0,0|2,0,0]=4 913 B11R1.279 CCc1ccc(c(c1)O)CN MB23834 [0,2,0,0,0,0|2,0,0]=4 914 B11R1.279 CCc1ccc(c(c1)O)NC MB23854 [0,2,0,0,0,0|2,0,0]=4 915 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [0,2,0,0,0,0|1,0,1]=4 916 B11R1.279 CCc1ccc(c(c1)O)SC MB23987 [0,2,0,0,0,0|1,1,0]=4 917 B11R1.279 CCc1ccc(cc1O)CN MB23838 [0,2,0,0,0,0|2,0,0]=4 918 B11R1.279 CCc1ccc(cc1O)NC MB23855 [0,2,0,0,0,0|2,0,0]=4 919 B11R1.279 CCc1ccc(cc1O)OC MB04144 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.279 CCc1ccc(cc1O)SC MB23989 [0,2,0,0,0,0|2,0,0]=4 921 B11R1.279 CNc1ccc(c(c1)O)C=O MB38816 [0,2,0,0,0,0|1,0,0]=3 922 B11R1.279 CNc1ccc(c(c1)O)NC MB27488 [0,2,0,0,0,0|2,0,0]=4 923 B11R1.279 CNc1ccc(c(c1)O)SC MB31040 [0,2,0,0,0,0|1,1,0]=4 924 B11R1.279 CNc1ccc(cc1O)CN MB30036 [0,2,0,0,0,0|2,0,0]=4 925 B11R1.279 CNc1ccc(cc1O)OC MB36336 [0,2,0,0,0,0|2,0,0]=4 926 B11R1.279 COc1cc(c(cn1)C=O)O AB74871 [0,2,0,0,0,0|2,0,0]=4 927 B11R1.279 COc1cc(c(nc1)C=O)N AB83737 [0,2,0,0,0,0|1,0,1]=4 928 B11R1.279 COc1cc(c(nc1)C=O)O AB84580 [0,2,0,0,0,0|0,0,1]=3 929 B11R1.279 COc1ccc(c(c1)N)C=O AB54699 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.279 COc1ccc(c(c1)O)C#N AB45806 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.279 COc1ccc(c(c1)O)CN MB05065 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [0,2,0,0,0,0|1,0,1]=4 933 B11R1.279 COc1ccc(c(c1)O)SC MB25870 [0,2,0,0,0,0|1,1,0]=4 934 B11R1.279 COc1ccc(c(n1)O)C=O AB84537 [0,2,0,0,0,0|2,0,0]=4 935 B11R1.279 COc1ccc(cc1O)SC MB37214 [0,2,0,0,0,0|1,0,1]=4 936 B11R1.279 CSc1ccc(c(c1)O)C=O MB32919 [0,2,0,0,0,0|1,0,0]=3 937 B11R1.279 CSc1ccc(cc1O)CN MB29248 [0,2,0,0,0,0|1,1,0]=4 938 B11R1.279 c1c(cnc(c1O)C=O)C=O AB84585 [0,2,0,0,0,0|0,0,2]=4 939 B11R1.279 c1c(cnc(c1O)C=O)CCl AB84592 [0,2,0,0,0,0|0,0,1]=3 940 B11R1.279 c1c(ncc(c1O)C=O)CCl AB84446 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.279 c1cc(c(cc1C#N)O)C=O MB06108 [0,2,0,0,0,0|1,0,1]=4 942 B11R1.279 c1cc(c(cc1C=O)O)C=O MB31163 [0,2,0,0,0,0|1,0,1]=4 943 B11R1.279 c1cc(c(cc1CN)O)C=O MB27592 [0,2,0,0,0,0|1,0,0]=3 944 B11R1.279 c1cc(c(cc1CN)O)CN MB29403 [0,2,0,0,0,0|2,0,0]=4 945 B11R1.279 c1cc(c(nc1CCl)O)C=O AB84549 [0,2,0,0,0,0|2,0,0]=4 946 B11R1.167 B(c1cc(ccc1C)C)(O)O AB10384 [0,2,0,0,0,0|2,0,0]=4 947 B11R1.167 B(c1cc(ccc1Cl)C)(O)O AB26401 [0,2,0,0,0,0|2,0,0]=4 948 B11R1.167 B(c1cc(ccc1F)C)(O)O AB15421 [0,2,0,0,0,0|2,0,0]=4 949 B11R1.167 B(c1cc(cnc1C)C)(O)O AB41957 [0,2,0,0,0,0|1,0,1]=4 950 B11R1.167 B(c1cc(cnc1Cl)C)(O)O AB17628 [0,2,0,0,0,0|1,0,1]=4 951 B11R1.167 B(c1cc(cnc1F)C)(O)O AB32102 [0,2,0,0,0,0|1,0,1]=4 952 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O AB71098 [0,2,0,0,0,0|1,0,1]=4 953 B11R1.167 Cc1cc(c(nc1)C)C(=O)O AB74606 [0,2,0,0,0,0|1,0,1]=4 954 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O AB41816 [0,2,0,0,0,0|1,0,1]=4 955 B11R1.167 Cc1cc(c(nc1)F)C(=O)O AB64831 [0,2,0,0,0,0|1,0,1]=4 956 B11R1.167 Cc1cc(c(nc1)N)C(=O)O AB41822 [0,2,0,0,0,0|1,0,1]=4 957 B11R1.167 Cc1cc(c(nc1)O)C(=O)O CB11521 [0,2,0,0,0,0|0,0,2]=4 958 B11R1.167 c1c(c[nH]c(=O)c1[N+](=O)[O-])Br PB29138 [0,2,0,0,0,0|1,0,1]=4 959 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [0,2,0,0,0,0|1,0,1]=4 960 B11R1.280 COc1cc(c(nc1)Br)OC AB74694 [0,2,0,0,0,0|1,0,1]=4 961 B11R1.280 COc1cc(c(nc1)N)OC AB49203 [0,2,0,0,0,0|1,0,1]=4 962 B11R1.280 COc1cc(ccc1N)CO AB44207 [0,2,0,0,0,0|2,0,0]=4 963 B11R1.280 COc1cc(ccc1O)SC MB01847 [0,2,0,0,0,0|1,0,1]=4 964 B11R1.280 COc1cc(cnc1Cl)CN AB73142 [0,2,0,0,0,0|1,0,1]=4 965 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [0,2,0,0,0,0|1,0,1]=4 966 B11R1.21 CC(=O)c1cc(c(nc1)Cl)O AB74793 [0,2,0,0,0,0|1,0,1]=4 967 B11R1.21 CC(C)c1ccc(c(c1)O)Br MB09104 [0,2,0,0,0,0|2,0,0]=4 968 B11R1.21 CC(C)c1ccc(c(c1)O)Cl MB22599 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.21 CC(C)c1ccc(c(c1)O)F MB22510 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.21 CC(C)c1ccc(c(c1)O)I MB14755 [0,2,0,0,0,0|2,0,0]=4 971 B11R1.21 CC(C)c1ccc(c(c1)O)N MB22521 [0,2,0,0,0,0|2,0,0]=4 972 B11R1.21 CN(C)c1ccc(c(c1)O)Br MB24903 [0,2,0,0,0,0|2,0,0]=4 973 B11R1.21 CN(C)c1ccc(c(c1)O)Cl MB24907 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.21 CN(C)c1ccc(c(c1)O)F MB24813 [0,2,0,0,0,0|2,0,0]=4 975 B11R1.21 CN(C)c1ccc(c(c1)O)I MB24818 [0,2,0,0,0,0|2,0,0]=4 976 B11R1.21 CN(C)c1ccc(c(c1)O)N MB24826 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.21 Cc1ccc(cc1O)C(C)C MB00118 [0,2,0,0,0,0|2,0,0]=4 978 B11R1.21 Cc1ccc(cc1O)N(C)C MB23415 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.192 c1c(cnc(c1O)Cl)CCN AB84106 [0,2,0,0,0,0|1,0,1]=4 980 B7R1.2 C1C(=CC(=O)N1)Br CB11702 [1,0,0,0,1,0|1,0,1]=4 981 B7R1.2 CC1=NC(=O)N=C1 AB05017 [1,0,0,0,1,0|1,0,1]=4 982 B7R1.2 Cc1[nH]c(cn1)Cl AB58131 [1,0,0,0,1,0|2,0,0]=4 983 B7R1.2 Cc1cc(cs1)Br AB20690 [1,0,0,0,1,0|2,0,0]=4 984 B7R1.2 Cc1cc(sc1)C CB10250 [1,0,0,0,1,0|2,0,0]=4 985 B7R1.2 Cc1ccc(o1)Br AB64979 [1,0,0,0,1,0|2,0,0]=4 986 B7R1.2 Cn1ccc(c1)Br AB63663 [1,0,0,0,1,0|2,0,0]=4