0 B9R1.3 Cc1c(c(ccn1)Br)Cl AB63983 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.3 Cc1c(c(ccn1)Cl)Br AB63984 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.3 Cc1c(c(ccn1)Cl)Cl AB53567 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.3 Cc1c(c(ccn1)Cl)N AB70877 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.3 Cc1c(c(ccn1)Cl)O AB71205 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.3 Cc1c(c(ccn1)F)Br AB71088 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.3 Cc1c(c(ccn1)F)N AB70905 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.3 Cc1c(c(ccn1)F)O AB71324 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.3 Cc1c(c(ccn1)N)Cl AB51074 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.3 Cc1c(c(ccn1)N)N AB55860 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.3 Cc1c(c(ccn1)O)Cl AB71193 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.3 Cc1c(c(ncn1)C)Br PB26303 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.3 Cc1c(c(ncn1)Cl)Cl AB54870 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.3 Cc1c(c(ncn1)N)Cl AB53379 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.3 Cc1c(c(ncn1)O)Br AB09553 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.3 Cc1c(c(ncn1)O)Cl AB05118 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.3 Cc1c(cccc1Br)O MB09253 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.3 Cc1c(cccc1I)O MB23347 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.3 Cc1c(ccnc1Br)Cl AB71053 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.3 Cc1c(ccnc1Br)F AB71081 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.3 Cc1c(ccnc1Cl)Br AB53555 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.3 Cc1c(ccnc1Cl)I AB13660 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.3 Cc1c(ccnc1Cl)N AB75729 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.3 Cc1c(ccnc1Cl)O AB71179 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.3 Cc1c(ccnc1F)Br AB53559 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.3 Cc1c(ccnc1F)N AB82851 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.3 Cc1c(ccnc1F)O AB71301 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.3 Cc1c(ccnc1N)Cl AB70874 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.3 Cc1c(ccnc1N)F AB70896 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.3 Cc1c(ccnc1O)Cl AB71198 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.3 Cc1c(ccnc1O)F AB71318 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.3 Cc1c(cncc1Br)Br AB03597 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.3 Cc1c(cncc1Br)Cl AB75733 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.3 Cc1c(cncc1Br)F AB74995 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.3 Cc1c(cncc1Br)N AB42002 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.3 Cc1c(cncc1Cl)N AB41999 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.3 Cc1c(cncc1Cl)O AB70586 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.3 Cc1c(nccc1Br)C AB74548 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.3 Cc1c(nccc1Cl)C AB72126 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.3 Cc1c(nccc1N)C AB01511 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.3 Cc1c(nccc1O)C AB75493 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.3 Cc1c(ncnc1Cl)C AB54898 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.3 Cc1c(ncnc1N)C AB54984 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.3 Cc1c(ncnc1O)C AB05196 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.3 Cc1cccc(c1Br)O MB08359 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.3 Cc1cccc(c1Cl)O MB00390 [0,0,0,0,0,0|2,0,0]=2 46 B9R1.3 Cc1cccc(c1F)N AB25121 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.3 Cc1cccc(c1I)O MB23494 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.3 Cc1cccc(c1N)Br MB03160 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.3 Cc1cccc(c1N)F MB03934 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.3 Cc1cccc(c1O)F MB11516 [0,0,0,0,0,0|1,0,0]=1 51 B9R1.3 Cc1cccc(c1O)I MB23471 [0,0,0,0,0,0|1,0,0]=1 52 B9R1.3 Cc1cccc(c1O)N MB02950 [0,0,0,0,0,0|1,0,0]=1 53 B9R1.3 Cc1ccnc(c1Br)C AB53712 [0,0,0,0,0,0|2,0,0]=2 54 B9R1.3 Cc1ccnc(c1Br)Cl PB21837 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.3 Cc1ccnc(c1Br)F AB44900 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.3 Cc1ccnc(c1C)Br AB25365 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.3 Cc1ccnc(c1C)N AB11611 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.3 Cc1ccnc(c1C)O AB66577 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.3 Cc1ccnc(c1Cl)Br AB44895 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.3 Cc1ccnc(c1Cl)N AB53535 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.3 Cc1ccnc(c1Cl)O AB71192 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.3 Cc1ccnc(c1N)Br AB17559 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.3 Cc1ccnc(c1N)C AB43810 [0,0,0,0,0,0|2,0,0]=2 64 B9R1.3 Cc1ccnc(c1N)Cl PB21708 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.3 Cc1ccnc(c1N)F AB17625 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.3 Cc1ccnc(c1N)N PB32179 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.3 Cc1ccnc(c1O)C AB43831 [0,0,0,0,0,0|1,0,0]=1 68 B9R1.3 Cc1ccnc(c1O)Cl AB17632 [0,0,0,0,0,0|2,0,0]=2 69 B9R1.3 Cc1ccnc(c1O)F AB71297 [0,0,0,0,0,0|2,0,0]=2 70 B9R1.3 Cc1cncc(c1Br)C AB53717 [0,0,0,0,0,0|2,0,0]=2 71 B9R1.3 Cc1cncc(c1Br)Cl AB74973 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.3 Cc1cncc(c1Br)F AB74996 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.3 Cc1cncc(c1C)Br AB64494 [0,0,0,0,0,0|3,0,0]=3 74 B9R1.3 Cc1cncc(c1C)N AB76783 [0,0,0,0,0,0|3,0,0]=3 75 B9R1.3 Cc1cncc(c1C)O AB65620 [0,0,0,0,0,0|3,0,0]=3 76 B9R1.3 Cc1cncc(c1Cl)Br AB75732 [0,0,0,0,0,0|3,0,0]=3 77 B9R1.3 Cc1cncc(c1Cl)C AB50483 [0,0,0,0,0,0|2,0,0]=2 78 B9R1.3 Cc1cncc(c1Cl)N AB75728 [0,0,0,0,0,0|3,0,0]=3 79 B9R1.3 Cc1cncc(c1Cl)O AB71654 [0,0,0,0,0,0|3,0,0]=3 80 B9R1.3 Cc1cncc(c1F)Br AB74994 [0,0,0,0,0,0|3,0,0]=3 81 B9R1.3 Cc1cncc(c1F)N AB66587 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.3 Cc1cncc(c1F)O AB82936 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.3 Cc1cncc(c1N)C AB14443 [0,0,0,0,0,0|2,0,0]=2 84 B9R1.3 Cc1cncc(c1N)Cl AB44879 [0,0,0,0,0,0|3,0,0]=3 85 B9R1.3 Cc1cncc(c1N)F AB75360 [0,0,0,0,0,0|3,0,0]=3 86 B9R1.3 Cc1cncc(c1N)N AB60255 [0,0,0,0,0,0|3,0,0]=3 87 B9R1.3 Cc1cncc(c1O)C AB82550 [0,0,0,0,0,0|1,0,0]=1 88 B9R1.3 Cc1cncc(c1O)Cl AB75744 [0,0,0,0,0,0|2,0,0]=2 89 B9R1.3 Cc1cncc(c1O)F AB25961 [0,0,0,0,0,0|2,0,0]=2 90 B9R1.3 Cn1c(=O)cccc1Br MB01001 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.3 Cn1ccc[n+](c1=O)C AB09988 [0,0,0,0,0,0|2,0,1]=3 92 B9R1.3 Cn1cccc(c1=O)Br PB32951 [0,0,0,0,0,0|2,0,1]=3 93 B9R1.3 Cn1cccc(c1=O)N PB15071 [0,0,0,0,0,0|2,0,1]=3 94 B9R1.3 c1c(c(c(cn1)Br)Cl)Br PB24627 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.3 c1c(c(c(cn1)Br)Cl)F AB74956 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.3 c1c(c(c(cn1)Br)Cl)N AB66381 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.3 c1c(c(c(cn1)Br)Cl)O AB74970 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.3 c1c(c(c(cn1)Br)F)Cl AB82965 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.3 c1c(c(c(cn1)Br)N)Cl AB56437 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.3 c1c(c(c(cn1)Br)O)Cl AB66732 [0,0,0,0,0,0|3,0,0]=3 101 B9R1.3 c1c(c(c(cn1)Br)O)N AB48393 [0,0,0,0,0,0|3,0,0]=3 102 B9R1.3 c1c(c(c(cn1)Cl)Br)Cl MB04163 [0,0,0,0,0,0|4,0,0]=4 103 B9R1.3 c1c(c(c(cn1)Cl)Br)F AB70924 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.3 c1c(c(c(cn1)Cl)Cl)N AB55065 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.3 c1c(c(c(cn1)Cl)F)N AB75054 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.3 c1c(c(c(cn1)Cl)F)O AB82968 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.3 c1c(c(c(cn1)Cl)I)Cl CB10652 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.3 c1c(c(c(cn1)Cl)N)Cl AB03509 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.3 c1c(c(c(cn1)Cl)N)F AB70854 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.3 c1c(c(c(cn1)Cl)N)N AB50200 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.3 c1c(c(c(cn1)Cl)N)O AB83899 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.3 c1c(c(c(cn1)Cl)O)Cl AB02053 [0,0,0,0,0,0|3,0,0]=3 113 B9R1.3 c1c(c(c(cn1)Cl)O)F AB66744 [0,0,0,0,0,0|3,0,0]=3 114 B9R1.3 c1c(c(c(cn1)Cl)O)N AB84022 [0,0,0,0,0,0|3,0,0]=3 115 B9R1.3 c1c(c(c(cn1)Cl)O)O AB84021 [0,0,0,0,0,0|3,0,0]=3 116 B9R1.3 c1c(c(c(cn1)F)Cl)N AB83146 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.3 c1c(c(c(cn1)F)Cl)O AB83144 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.3 c1c(c(c(cn1)F)N)F AB10209 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.3 c1c(c(c(cn1)N)Cl)N AB71544 [0,0,0,0,0,0|4,0,0]=4 120 B9R1.3 c1c(c(c(cn1)O)Cl)N AB83874 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.3 c1c(c(c(cn1)O)Cl)O AB83993 [0,0,0,0,0,0|4,0,0]=4 122 B9R1.3 c1cc(c(c(c1)Br)Br)O MB05354 [0,0,0,0,0,0|3,0,0]=3 123 B9R1.3 c1cc(c(c(c1)Br)Cl)Br CB11700 [0,0,0,0,0,0|3,0,0]=3 124 B9R1.3 c1cc(c(c(c1)Br)I)O MB05341 [0,0,0,0,0,0|3,0,0]=3 125 B9R1.3 c1cc(c(c(c1)Br)O)Cl MB08152 [0,0,0,0,0,0|2,0,0]=2 126 B9R1.3 c1cc(c(c(c1)Br)O)N AB44905 [0,0,0,0,0,0|2,0,0]=2 127 B9R1.3 c1cc(c(c(c1)Cl)Br)N MB08909 [0,0,0,0,0,0|3,0,0]=3 128 B9R1.3 c1cc(c(c(c1)Cl)Br)O MB03079 [0,0,0,0,0,0|3,0,0]=3 129 B9R1.3 c1cc(c(c(c1)Cl)I)N AB28280 [0,0,0,0,0,0|3,0,0]=3 130 B9R1.3 c1cc(c(c(c1)Cl)I)O MB05351 [0,0,0,0,0,0|3,0,0]=3 131 B9R1.3 c1cc(c(c(c1)Cl)N)N AB54530 [0,0,0,0,0,0|3,0,0]=3 132 B9R1.3 c1cc(c(c(c1)Cl)N)O MB10127 [0,0,0,0,0,0|3,0,0]=3 133 B9R1.3 c1cc(c(c(c1)F)Br)O MB03082 [0,0,0,0,0,0|3,0,0]=3 134 B9R1.3 c1cc(c(c(c1)F)Cl)N AB14054 [0,0,0,0,0,0|3,0,0]=3 135 B9R1.3 c1cc(c(c(c1)F)Cl)O MB05350 [0,0,0,0,0,0|3,0,0]=3 136 B9R1.3 c1cc(c(c(c1)F)I)O MB05358 [0,0,0,0,0,0|3,0,0]=3 137 B9R1.3 c1cc(c(c(c1)F)N)N MB00506 [0,0,0,0,0,0|3,0,0]=3 138 B9R1.3 c1cc(c(c(c1)F)O)N AB45742 [0,0,0,0,0,0|2,0,0]=2 139 B9R1.3 c1cc(c(c(c1)I)Br)F MB07001 [0,0,0,0,0,0|3,0,0]=3 140 B9R1.3 c1cc(c(c(c1)I)Br)O MB05348 [0,0,0,0,0,0|3,0,0]=3 141 B9R1.3 c1cc(c(c(c1)I)Cl)O MB05352 [0,0,0,0,0,0|3,0,0]=3 142 B9R1.3 c1cc(c(c(c1)I)F)O MB12056 [0,0,0,0,0,0|3,0,0]=3 143 B9R1.3 c1cc(c(c(c1)I)I)O MB05357 [0,0,0,0,0,0|3,0,0]=3 144 B9R1.3 c1cc(c(c(c1)I)N)O MB03004 [0,0,0,0,0,0|3,0,0]=3 145 B9R1.3 c1cc(c(c(c1)I)O)Br MB25662 [0,0,0,0,0,0|2,0,0]=2 146 B9R1.3 c1cc(c(c(c1)I)O)Cl MB14795 [0,0,0,0,0,0|2,0,0]=2 147 B9R1.3 c1cc(c(c(c1)I)O)F MB05032 [0,0,0,0,0,0|2,0,0]=2 148 B9R1.3 c1cc(c(c(c1)I)O)I MB25505 [0,0,0,0,0,0|2,0,0]=2 149 B9R1.3 c1cc(c(c(c1)I)O)N MB35855 [0,0,0,0,0,0|2,0,0]=2 150 B9R1.3 c1cc(c(c(c1)N)O)N MB01221 [0,0,0,0,0,0|2,0,0]=2 151 B9R1.3 c1cc(c(c(c1)O)Br)N MB10095 [0,0,0,0,0,0|3,0,0]=3 152 B9R1.3 c1cc(c(c(c1)O)Cl)N MB09140 [0,0,0,0,0,0|3,0,0]=3 153 B9R1.3 c1cc(c(c(c1)O)F)N MB25684 [0,0,0,0,0,0|3,0,0]=3 154 B9R1.3 c1cc(c(c(c1)O)I)N MB09919 [0,0,0,0,0,0|3,0,0]=3 155 B9R1.3 c1cnc(c(c1Br)Cl)F AB62814 [0,0,0,0,0,0|4,0,0]=4 156 B9R1.3 c1cnc(c(c1Br)Cl)N AB70625 [0,0,0,0,0,0|4,0,0]=4 157 B9R1.3 c1cnc(c(c1Br)Cl)O AB70927 [0,0,0,0,0,0|4,0,0]=4 158 B9R1.3 c1cnc(c(c1Br)F)Cl AB70923 [0,0,0,0,0,0|4,0,0]=4 159 B9R1.3 c1cnc(c(c1Br)N)Cl AB76588 [0,0,0,0,0,0|4,0,0]=4 160 B9R1.3 c1cnc(c(c1Br)N)N PB33239 [0,0,0,0,0,0|4,0,0]=4 161 B9R1.3 c1cnc(c(c1Br)O)Cl AB70925 [0,0,0,0,0,0|3,0,0]=3 162 B9R1.3 c1cnc(c(c1Cl)Br)F AB74960 [0,0,0,0,0,0|4,0,0]=4 163 B9R1.3 c1cnc(c(c1Cl)Cl)N AB44396 [0,0,0,0,0,0|4,0,0]=4 164 B9R1.3 c1cnc(c(c1Cl)Cl)O AB71282 [0,0,0,0,0,0|4,0,0]=4 165 B9R1.3 c1cnc(c(c1Cl)F)Br AB74959 [0,0,0,0,0,0|4,0,0]=4 166 B9R1.3 c1cnc(c(c1Cl)F)N AB83135 [0,0,0,0,0,0|4,0,0]=4 167 B9R1.3 c1cnc(c(c1Cl)F)O AB71156 [0,0,0,0,0,0|4,0,0]=4 168 B9R1.3 c1cnc(c(c1Cl)I)Cl CB11215 [0,0,0,0,0,0|4,0,0]=4 169 B9R1.3 c1cnc(c(c1Cl)I)N PB16074 [0,0,0,0,0,0|4,0,0]=4 170 B9R1.3 c1cnc(c(c1Cl)N)Br AB70423 [0,0,0,0,0,0|4,0,0]=4 171 B9R1.3 c1cnc(c(c1Cl)N)Cl AB51385 [0,0,0,0,0,0|4,0,0]=4 172 B9R1.3 c1cnc(c(c1Cl)N)F AB83198 [0,0,0,0,0,0|4,0,0]=4 173 B9R1.3 c1cnc(c(c1Cl)N)N PB28504 [0,0,0,0,0,0|4,0,0]=4 174 B9R1.3 c1cnc(c(c1Cl)N)O AB75026 [0,0,0,0,0,0|4,0,0]=4 175 B9R1.3 c1cnc(c(c1Cl)O)Br AB74968 [0,0,0,0,0,0|3,0,0]=3 176 B9R1.3 c1cnc(c(c1Cl)O)Cl AB70492 [0,0,0,0,0,0|3,0,0]=3 177 B9R1.3 c1cnc(c(c1Cl)O)F AB71148 [0,0,0,0,0,0|3,0,0]=3 178 B9R1.3 c1cnc(c(c1Cl)O)N AB53290 [0,0,0,0,0,0|3,0,0]=3 179 B9R1.3 c1cnc(c(c1Cl)O)O AB83983 [0,0,0,0,0,0|3,0,0]=3 180 B9R1.3 c1cnc(c(c1F)Cl)Br AB82998 [0,0,0,0,0,0|4,0,0]=4 181 B9R1.3 c1cnc(c(c1F)Cl)N AB83000 [0,0,0,0,0,0|4,0,0]=4 182 B9R1.3 c1cnc(c(c1F)Cl)O AB71146 [0,0,0,0,0,0|4,0,0]=4 183 B9R1.3 c1cnc(c(c1I)O)I MB09113 [0,0,0,0,0,0|3,0,0]=3 184 B9R1.3 c1cnc(c(c1N)Br)Cl PB34372 [0,0,0,0,0,0|4,0,0]=4 185 B9R1.3 c1cnc(c(c1N)Cl)Br AB09546 [0,0,0,0,0,0|4,0,0]=4 186 B9R1.3 c1cnc(c(c1N)Cl)Cl AB09580 [0,0,0,0,0,0|4,0,0]=4 187 B9R1.3 c1cnc(c(c1N)Cl)F AB70632 [0,0,0,0,0,0|4,0,0]=4 188 B9R1.3 c1cnc(c(c1N)Cl)N AB70628 [0,0,0,0,0,0|4,0,0]=4 189 B9R1.3 c1cnc(c(c1N)Cl)O AB51578 [0,0,0,0,0,0|4,0,0]=4 190 B9R1.3 c1cnc(c(c1N)F)Cl AB70858 [0,0,0,0,0,0|4,0,0]=4 191 B9R1.3 c1cnc(c(c1N)N)Br PB11027 [0,0,0,0,0,0|4,0,0]=4 192 B9R1.3 c1cnc(c(c1N)N)Cl PB12434 [0,0,0,0,0,0|4,0,0]=4 193 B9R1.3 c1cnc(c(c1N)N)F AB70620 [0,0,0,0,0,0|4,0,0]=4 194 B9R1.3 c1cnc(c(c1N)N)N AB52988 [0,0,0,0,0,0|4,0,0]=4 195 B9R1.3 c1cnc(c(c1N)O)Cl AB70863 [0,0,0,0,0,0|3,0,0]=3 196 B9R1.3 c1cnc(c(c1O)Cl)Br AB74964 [0,0,0,0,0,0|4,0,0]=4 197 B9R1.3 c1cnc(c(c1O)Cl)Cl AB71281 [0,0,0,0,0,0|4,0,0]=4 198 B9R1.3 c1cnc(c(c1O)Cl)F AB71141 [0,0,0,0,0,0|4,0,0]=4 199 B9R1.3 c1cnc(c(c1O)Cl)N AB74554 [0,0,0,0,0,0|4,0,0]=4 200 B9R1.3 c1cnc(c(c1O)Cl)O AB09579 [0,0,0,0,0,0|4,0,0]=4 201 B9R1.3 c1cnc(c(c1O)F)Cl AB69317 [0,0,0,0,0,0|4,0,0]=4 202 B9R1.3 c1cnc(c(c1O)N)Cl AB76250 [0,0,0,0,0,0|4,0,0]=4 203 B9R1.3 c1cnc(c(c1O)O)Cl AB70497 [0,0,0,0,0,0|3,0,0]=3 204 B8R1.4 Cc1cc(ccn1)Br AB17599 [1,0,0,0,0,0|2,0,0]=3 205 B8R1.4 Cc1cc(ccn1)Br PB26077 [1,0,0,0,0,0|2,0,0]=3 206 B8R1.4 Cc1cc(ccn1)Cl AB01756 [1,0,0,0,0,0|2,0,0]=3 207 B8R1.4 Cc1cc(ccn1)F AB17919 [1,0,0,0,0,0|2,0,0]=3 208 B8R1.4 Cc1cc(ccn1)O PB24839 [1,0,0,0,0,0|2,0,0]=3 209 B8R1.4 Cc1cc(cnc1)Br AB09597 [1,0,0,0,0,0|2,0,0]=3 210 B8R1.4 Cc1cc(cnc1)Cl AB17994 [1,0,0,0,0,0|2,0,0]=3 211 B8R1.4 Cc1cc(cnc1)F AB13643 [1,0,0,0,0,0|2,0,0]=3 212 B8R1.4 Cc1cc(cnc1)N AB17573 [1,0,0,0,0,0|2,0,0]=3 213 B8R1.4 Cc1cc(cnc1)O MB01362 [1,0,0,0,0,0|2,0,0]=3 214 B8R1.4 Cc1cc(cnn1)N MB11385 [1,0,0,0,0,0|3,0,0]=4 215 B8R1.4 Cc1cc(ncn1)C PB24534 [1,0,0,0,0,0|2,0,0]=3 216 B8R1.4 Cc1cc(ncn1)Cl PB29204 [1,0,0,0,0,0|3,0,0]=4 217 B8R1.4 Cc1cc(ncn1)N PB12118 [1,0,0,0,0,0|3,0,0]=4 218 B8R1.4 Cc1cc(nnc1)Cl PB14716 [1,0,0,0,0,0|3,0,0]=4 219 B8R1.4 Cc1cc(nnc1)N AB61142 [1,0,0,0,0,0|3,0,0]=4 220 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [1,0,0,0,0,0|3,0,0]=4 221 B8R1.4 Cc1cccc(n1)Br AB01812 [1,0,0,0,0,0|2,0,0]=3 222 B8R1.4 Cc1cccc(n1)Cl AB00666 [1,0,0,0,0,0|2,0,0]=3 223 B8R1.4 Cc1cccc(n1)F AB01860 [1,0,0,0,0,0|2,0,0]=3 224 B8R1.4 Cc1cccc(n1)N AB00717 [1,0,0,0,0,0|2,0,0]=3 225 B8R1.4 Cc1cccc(n1)O AB00679 [1,0,0,0,0,0|2,0,0]=3 226 B8R1.4 Cc1cccc(n1)S AB25230 [1,0,0,0,0,0|2,0,0]=3 227 B8R1.4 Cc1ccnc(c1)Br AB03099 [1,0,0,0,0,0|2,0,0]=3 228 B8R1.4 Cc1ccnc(c1)Cl PB10051 [1,0,0,0,0,0|2,0,0]=3 229 B8R1.4 Cc1ccnc(c1)F AB01854 [1,0,0,0,0,0|2,0,0]=3 230 B8R1.4 Cc1ccnc(c1)N AB00703 [1,0,0,0,0,0|2,0,0]=3 231 B8R1.4 Cc1ccnc(c1)O AB03735 [1,0,0,0,0,0|2,0,0]=3 232 B8R1.4 Cc1ccnc(n1)Cl PB14106 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.4 Cc1ccnc(n1)N MB00179 [1,0,0,0,0,0|3,0,0]=4 234 B8R1.4 Cc1cncc(n1)Br AB48617 [1,0,0,0,0,0|3,0,0]=4 235 B8R1.4 Cc1cncc(n1)Cl AB02267 [1,0,0,0,0,0|3,0,0]=4 236 B8R1.4 Cc1cncc(n1)N AB43812 [1,0,0,0,0,0|3,0,0]=4 237 B8R1.4 Cc1nccc(n1)Cl PB30633 [1,0,0,0,0,0|3,0,0]=4 238 B8R1.4 Cc1nccc(n1)N AB06587 [1,0,0,0,0,0|3,0,0]=4 239 B8R1.4 c1c(cncc1Br)Br AB01172 [1,0,0,0,0,0|3,0,0]=4 240 B8R1.4 c1c(cncc1Br)Cl AB18001 [1,0,0,0,0,0|3,0,0]=4 241 B8R1.4 c1c(cncc1Br)N PB12251 [1,0,0,0,0,0|3,0,0]=4 242 B8R1.4 c1c(cncc1Br)O PB30658 [1,0,0,0,0,0|3,0,0]=4 243 B8R1.4 c1c(cncc1Cl)Cl AB00743 [1,0,0,0,0,0|3,0,0]=4 244 B8R1.4 c1c(cncc1Cl)F AB21896 [1,0,0,0,0,0|3,0,0]=4 245 B8R1.4 c1c(cncc1Cl)N AB15758 [1,0,0,0,0,0|3,0,0]=4 246 B8R1.4 c1c(cncc1F)F AB14383 [1,0,0,0,0,0|3,0,0]=4 247 B8R1.4 c1c(cncc1F)N AB05123 [1,0,0,0,0,0|3,0,0]=4 248 B8R1.4 c1c(cncc1F)O AB13569 [1,0,0,0,0,0|3,0,0]=4 249 B8R1.4 c1c(cncc1I)Br AB13102 [1,0,0,0,0,0|3,0,0]=4 250 B8R1.4 c1c(cncc1I)Cl AB43784 [1,0,0,0,0,0|3,0,0]=4 251 B8R1.4 c1c(cncc1I)F AB45557 [1,0,0,0,0,0|3,0,0]=4 252 B8R1.4 c1c(cncc1I)I PB19957 [1,0,0,0,0,0|3,0,0]=4 253 B8R1.4 c1c(cncc1I)N AB43802 [1,0,0,0,0,0|3,0,0]=4 254 B8R1.4 c1c(cncc1N)N AB07746 [1,0,0,0,0,0|3,0,0]=4 255 B8R1.4 c1c(cncc1O)N AB17983 [1,0,0,0,0,0|3,0,0]=4 256 B8R1.4 c1c(cncc1O)O MB02073 [1,0,0,0,0,0|3,0,0]=4 257 B8R1.4 c1cc(c[n+](c1)[O-])Br AB09548 [1,0,0,0,0,0|3,0,0]=4 258 B8R1.4 c1cc(nc(c1)Br)Br AB00637 [1,0,0,0,0,0|3,0,0]=4 259 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [1,0,0,0,0,0|3,0,0]=4 260 B8R1.4 c1cc(nc(c1)Br)F AB13626 [1,0,0,0,0,0|3,0,0]=4 261 B8R1.4 c1cc(nc(c1)Br)N PB32140 [1,0,0,0,0,0|3,0,0]=4 262 B8R1.4 c1cc(nc(c1)Br)O AB05100 [1,0,0,0,0,0|3,0,0]=4 263 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [1,0,0,0,0,0|3,0,0]=4 264 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [1,0,0,0,0,0|3,0,0]=4 265 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [1,0,0,0,0,0|3,0,0]=4 266 B8R1.4 c1cc(nc(c1)F)N AB17974 [1,0,0,0,0,0|3,0,0]=4 267 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [1,0,0,0,0,0|3,0,0]=4 268 B8R1.4 c1cc(nc(c1)I)I AB31088 [1,0,0,0,0,0|3,0,0]=4 269 B8R1.4 c1cc(nc(c1)I)N AB42508 [1,0,0,0,0,0|3,0,0]=4 270 B8R1.4 c1cnc(cc1Br)Br PB10210 [1,0,0,0,0,0|3,0,0]=4 271 B8R1.4 c1cnc(cc1Br)Cl AB16617 [1,0,0,0,0,0|3,0,0]=4 272 B8R1.4 c1cnc(cc1Br)F AB17567 [1,0,0,0,0,0|3,0,0]=4 273 B8R1.4 c1cnc(cc1Br)I AB31627 [1,0,0,0,0,0|3,0,0]=4 274 B8R1.4 c1cnc(cc1Br)N PB12936 [1,0,0,0,0,0|3,0,0]=4 275 B8R1.4 c1cnc(cc1Cl)Br PB23373 [1,0,0,0,0,0|3,0,0]=4 276 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [1,0,0,0,0,0|3,0,0]=4 277 B8R1.4 c1cnc(cc1Cl)F AB17564 [1,0,0,0,0,0|3,0,0]=4 278 B8R1.4 c1cnc(cc1Cl)N PB32361 [1,0,0,0,0,0|3,0,0]=4 279 B8R1.4 c1cnc(cc1Cl)O AB13188 [1,0,0,0,0,0|3,0,0]=4 280 B8R1.4 c1cnc(cc1F)Br AB50032 [1,0,0,0,0,0|3,0,0]=4 281 B8R1.4 c1cnc(cc1F)Cl AB17349 [1,0,0,0,0,0|3,0,0]=4 282 B8R1.4 c1cnc(cc1F)F PB26122 [1,0,0,0,0,0|3,0,0]=4 283 B8R1.4 c1cnc(cc1F)N AB50025 [1,0,0,0,0,0|3,0,0]=4 284 B8R1.4 c1cnc(cc1I)Br PB29229 [1,0,0,0,0,0|3,0,0]=4 285 B8R1.4 c1cnc(cc1I)Cl PB17253 [1,0,0,0,0,0|3,0,0]=4 286 B8R1.4 c1cnc(cc1I)F PB12274 [1,0,0,0,0,0|3,0,0]=4 287 B8R1.4 c1cnc(cc1I)N PB10642 [1,0,0,0,0,0|3,0,0]=4 288 B8R1.4 c1cnc(cc1N)Br PB30686 [1,0,0,0,0,0|3,0,0]=4 289 B8R1.4 c1cnc(cc1N)Cl PB24583 [1,0,0,0,0,0|3,0,0]=4 290 B8R1.4 c1cnc(cc1N)F PB21208 [1,0,0,0,0,0|3,0,0]=4 291 B8R1.4 c1cnc(cc1N)O PB15716 [1,0,0,0,0,0|3,0,0]=4 292 B8R1.4 c1cnc(cc1O)Br AB05095 [1,0,0,0,0,0|3,0,0]=4 293 B8R1.4 c1cnc(cc1O)Cl AB09576 [1,0,0,0,0,0|3,0,0]=4 294 B8R1.4 c1cnc(cc1O)F AB17930 [1,0,0,0,0,0|3,0,0]=4 295 B8R1.4 c1cnc(cc1O)I MB26582 [1,0,0,0,0,0|3,0,0]=4 296 B8R1.4 c1cnc(cc1O)N AB17934 [1,0,0,0,0,0|3,0,0]=4 297 B8R1.5 C1CC=C(C(=C1)O)Cl AB31829 [1,0,0,0,0,0|1,0,2]=4 298 B8R1.5 Cc1c(cccn1)Br PB27472 [1,0,0,0,0,0|2,0,0]=3 299 B8R1.5 Cc1c(cccn1)Cl AB17903 [1,0,0,0,0,0|2,0,0]=3 300 B8R1.5 Cc1c(cccn1)F AB48604 [1,0,0,0,0,0|2,0,0]=3 301 B8R1.5 Cc1c(cccn1)N PB33695 [1,0,0,0,0,0|2,0,0]=3 302 B8R1.5 Cc1c(cccn1)O PB18442 [1,0,0,0,0,0|1,0,0]=2 303 B8R1.5 Cc1c(ccnn1)N MB11382 [1,0,0,0,0,0|3,0,0]=4 304 B8R1.5 Cc1c(cncn1)Br PB26552 [1,0,0,0,0,0|3,0,0]=4 305 B8R1.5 Cc1c(cncn1)N PB26435 [1,0,0,0,0,0|3,0,0]=4 306 B8R1.5 Cc1c(nccn1)Br PB10597 [1,0,0,0,0,0|3,0,0]=4 307 B8R1.5 Cc1c(nccn1)Cl PB18413 [1,0,0,0,0,0|3,0,0]=4 308 B8R1.5 Cc1c(nccn1)I PB26409 [1,0,0,0,0,0|3,0,0]=4 309 B8R1.5 Cc1c(nccn1)N PB32667 [1,0,0,0,0,0|3,0,0]=4 310 B8R1.5 Cc1c(nccn1)O PB12942 [1,0,0,0,0,0|2,0,0]=3 311 B8R1.5 Cc1cccnc1Br AB05448 [1,0,0,0,0,0|2,0,0]=3 312 B8R1.5 Cc1cccnc1Cl AB05179 [1,0,0,0,0,0|2,0,0]=3 313 B8R1.5 Cc1cccnc1N AB17908 [1,0,0,0,0,0|2,0,0]=3 314 B8R1.5 Cc1cccnc1O AB03538 [1,0,0,0,0,0|1,0,0]=2 315 B8R1.5 Cc1ccncc1Br AB03104 [1,0,0,0,0,0|2,0,0]=3 316 B8R1.5 Cc1ccncc1Cl AB18019 [1,0,0,0,0,0|2,0,0]=3 317 B8R1.5 Cc1ccncc1F AB18002 [1,0,0,0,0,0|2,0,0]=3 318 B8R1.5 Cc1ccncc1N PB14127 [1,0,0,0,0,0|2,0,0]=3 319 B8R1.5 Cc1ccncc1O PB23391 [1,0,0,0,0,0|1,0,0]=2 320 B8R1.5 Cc1ccnnc1Cl PB34304 [1,0,0,0,0,0|3,0,0]=4 321 B8R1.5 Cc1ccnnc1N MB06298 [1,0,0,0,0,0|3,0,0]=4 322 B8R1.5 Cc1cnccc1Br AB20846 [1,0,0,0,0,0|2,0,0]=3 323 B8R1.5 Cc1cnccc1Br PB23248 [1,0,0,0,0,0|2,0,0]=3 324 B8R1.5 Cc1cnccc1Cl AB11511 [1,0,0,0,0,0|2,0,0]=3 325 B8R1.5 Cc1cnccc1F AB18013 [1,0,0,0,0,0|2,0,0]=3 326 B8R1.5 Cc1cnccc1N PB17234 [1,0,0,0,0,0|2,0,0]=3 327 B8R1.5 Cc1cncnc1Cl AB44072 [1,0,0,0,0,0|3,0,0]=4 328 B8R1.5 Cc1cncnc1N AB54983 [1,0,0,0,0,0|3,0,0]=4 329 B8R1.5 Cc1cncnc1O AB09558 [1,0,0,0,0,0|2,0,0]=3 330 B8R1.5 Cc1cnncc1N MB11384 [1,0,0,0,0,0|3,0,0]=4 331 B8R1.5 c1c(c(ncn1)O)Br PB32183 [1,0,0,0,0,0|3,0,0]=4 332 B8R1.5 c1c(c(ncn1)O)Cl PB14718 [1,0,0,0,0,0|3,0,0]=4 333 B8R1.5 c1c(c(ncn1)O)I PB34035 [1,0,0,0,0,0|3,0,0]=4 334 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [1,0,0,0,0,0|3,0,0]=4 335 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [1,0,0,0,0,0|3,0,0]=4 336 B8R1.5 c1cc(c(nc1)Br)F PB14380 [1,0,0,0,0,0|3,0,0]=4 337 B8R1.5 c1cc(c(nc1)Br)I MB06974 [1,0,0,0,0,0|3,0,0]=4 338 B8R1.5 c1cc(c(nc1)Br)N AB17900 [1,0,0,0,0,0|3,0,0]=4 339 B8R1.5 c1cc(c(nc1)Br)N PB26005 [1,0,0,0,0,0|3,0,0]=4 340 B8R1.5 c1cc(c(nc1)Br)O PB28951 [1,0,0,0,0,0|2,0,0]=3 341 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [1,0,0,0,0,0|3,0,0]=4 342 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [1,0,0,0,0,0|3,0,0]=4 343 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [1,0,0,0,0,0|3,0,0]=4 344 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [1,0,0,0,0,0|3,0,0]=4 345 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [1,0,0,0,0,0|3,0,0]=4 346 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [1,0,0,0,0,0|2,0,0]=3 347 B8R1.5 c1cc(c(nc1)F)I AB13652 [1,0,0,0,0,0|3,0,0]=4 348 B8R1.5 c1cc(c(nc1)F)N AB17917 [1,0,0,0,0,0|3,0,0]=4 349 B8R1.5 c1cc(c(nc1)I)Br AB45745 [1,0,0,0,0,0|3,0,0]=4 350 B8R1.5 c1cc(c(nc1)I)F AB13656 [1,0,0,0,0,0|3,0,0]=4 351 B8R1.5 c1cc(c(nc1)I)I AB25846 [1,0,0,0,0,0|3,0,0]=4 352 B8R1.5 c1cc(c(nc1)I)O MB00322 [1,0,0,0,0,0|2,0,0]=3 353 B8R1.5 c1cc(c(nc1)N)Br PB20016 [1,0,0,0,0,0|3,0,0]=4 354 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [1,0,0,0,0,0|3,0,0]=4 355 B8R1.5 c1cc(c(nc1)N)F AB17912 [1,0,0,0,0,0|3,0,0]=4 356 B8R1.5 c1cc(c(nc1)N)I PB12756 [1,0,0,0,0,0|3,0,0]=4 357 B8R1.5 c1cc(c(nc1)N)O AB00700 [1,0,0,0,0,0|2,0,0]=3 358 B8R1.5 c1cc(c(nc1)N)O AB17906 [1,0,0,0,0,0|2,0,0]=3 359 B8R1.5 c1cc(c(nc1)N)S AB64540 [1,0,0,0,0,0|2,1,0]=4 360 B8R1.5 c1cc(c(nc1)O)Br PB12284 [1,0,0,0,0,0|2,0,0]=3 361 B8R1.5 c1cc(c(nc1)O)F AB13427 [1,0,0,0,0,0|2,0,0]=3 362 B8R1.5 c1cc(c(nc1)O)I AB53303 [1,0,0,0,0,0|2,0,0]=3 363 B8R1.5 c1cc(c(nc1)O)N PB30752 [1,0,0,0,0,0|2,0,0]=3 364 B8R1.5 c1cc[n+](c(c1)S)[O-] AB00615 [1,0,0,0,0,0|2,0,1]=4 365 B8R1.5 c1cncc(c1Br)Br AB05087 [1,0,0,0,0,0|3,0,0]=4 366 B8R1.5 c1cncc(c1Br)Cl AB17643 [1,0,0,0,0,0|3,0,0]=4 367 B8R1.5 c1cncc(c1Br)F PB23387 [1,0,0,0,0,0|3,0,0]=4 368 B8R1.5 c1cncc(c1Br)N AB17638 [1,0,0,0,0,0|3,0,0]=4 369 B8R1.5 c1cncc(c1Br)O AB13187 [1,0,0,0,0,0|2,0,0]=3 370 B8R1.5 c1cncc(c1Cl)Br AB05074 [1,0,0,0,0,0|3,0,0]=4 371 B8R1.5 c1cncc(c1Cl)Cl AB10192 [1,0,0,0,0,0|3,0,0]=4 372 B8R1.5 c1cncc(c1Cl)F AB15511 [1,0,0,0,0,0|3,0,0]=4 373 B8R1.5 c1cncc(c1Cl)I AB05089 [1,0,0,0,0,0|3,0,0]=4 374 B8R1.5 c1cncc(c1Cl)N AB05299 [1,0,0,0,0,0|3,0,0]=4 375 B8R1.5 c1cncc(c1Cl)O AB12281 [1,0,0,0,0,0|2,0,0]=3 376 B8R1.5 c1cncc(c1F)Br AB17892 [1,0,0,0,0,0|3,0,0]=4 377 B8R1.5 c1cncc(c1F)Cl AB21349 [1,0,0,0,0,0|3,0,0]=4 378 B8R1.5 c1cncc(c1F)F AB18023 [1,0,0,0,0,0|3,0,0]=4 379 B8R1.5 c1cncc(c1F)N AB50028 [1,0,0,0,0,0|3,0,0]=4 380 B8R1.5 c1cncc(c1F)O AB64515 [1,0,0,0,0,0|2,0,0]=3 381 B8R1.5 c1cncc(c1I)F PB21191 [1,0,0,0,0,0|3,0,0]=4 382 B8R1.5 c1cncc(c1I)N PB23406 [1,0,0,0,0,0|3,0,0]=4 383 B8R1.5 c1cncc(c1I)O MB06807 [1,0,0,0,0,0|2,0,0]=3 384 B8R1.5 c1cncc(c1N)Br AB28611 [1,0,0,0,0,0|3,0,0]=4 385 B8R1.5 c1cncc(c1N)Cl AB16891 [1,0,0,0,0,0|3,0,0]=4 386 B8R1.5 c1cncc(c1N)F PB33879 [1,0,0,0,0,0|3,0,0]=4 387 B8R1.5 c1cncc(c1N)I AB12095 [1,0,0,0,0,0|3,0,0]=4 388 B8R1.5 c1cncc(c1O)Br AB09574 [1,0,0,0,0,0|2,0,0]=3 389 B8R1.5 c1cncc(c1O)F AB18011 [1,0,0,0,0,0|2,0,0]=3 390 B8R1.5 c1cnnc(c1Br)O AB77052 [1,0,0,0,0,0|3,0,0]=4 391 B10R1.2 CCc1cccc(c1Br)O MB24080 [0,1,0,0,0,0|2,0,0]=3 392 B10R1.2 CCc1cccc(c1C)O MB24030 [0,1,0,0,0,0|2,0,0]=3 393 B10R1.2 CCc1cccc(c1Cl)O MB24081 [0,1,0,0,0,0|2,0,0]=3 394 B10R1.2 CCc1cccc(c1F)O MB24054 [0,1,0,0,0,0|2,0,0]=3 395 B10R1.2 CCc1cccc(c1I)O MB24055 [0,1,0,0,0,0|2,0,0]=3 396 B10R1.2 CCc1cccc(c1N)O MB24059 [0,1,0,0,0,0|2,0,0]=3 397 B10R1.2 CCc1cccc(c1O)Br MB02008 [0,1,0,0,0,0|1,0,0]=2 398 B10R1.2 CCc1cccc(c1O)Cl MB02005 [0,1,0,0,0,0|1,0,0]=2 399 B10R1.2 CCc1cccc(c1O)F MB24014 [0,1,0,0,0,0|1,0,0]=2 400 B10R1.2 CCc1cccc(c1O)I MB24016 [0,1,0,0,0,0|1,0,0]=2 401 B10R1.2 CCc1cccc(c1O)N MB24022 [0,1,0,0,0,0|1,0,0]=2 402 B10R1.2 CNc1cccc(c1Br)O MB28270 [0,1,0,0,0,0|2,0,0]=3 403 B10R1.2 CNc1cccc(c1Cl)O MB26964 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.2 CNc1cccc(c1F)O MB34647 [0,1,0,0,0,0|2,0,0]=3 405 B10R1.2 CNc1cccc(c1I)O MB29498 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.2 CNc1cccc(c1N)O MB33054 [0,1,0,0,0,0|2,0,0]=3 407 B10R1.2 CNc1cccc(c1O)Br MB26263 [0,1,0,0,0,0|1,0,0]=2 408 B10R1.2 CNc1cccc(c1O)Cl MB33654 [0,1,0,0,0,0|1,0,0]=2 409 B10R1.2 CNc1cccc(c1O)F MB28274 [0,1,0,0,0,0|1,0,0]=2 410 B10R1.2 CNc1cccc(c1O)I MB32214 [0,1,0,0,0,0|1,0,0]=2 411 B10R1.2 CNc1cccc(c1O)N MB33525 [0,1,0,0,0,0|1,0,0]=2 412 B10R1.2 COc1c(c(ccn1)Br)F AB71080 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.2 COc1c(c(ccn1)Cl)N AB71673 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.2 COc1c(c(ccn1)Cl)O AB75738 [0,1,0,0,0,0|2,0,0]=3 415 B10R1.2 COc1c(c(ccn1)I)F AB71332 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.2 COc1c(c(ccn1)N)Br PB32978 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.2 COc1c(c(ccn1)N)Cl AB65262 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.2 COc1c(c(ccn1)N)F AB70892 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.2 COc1c(c(ccn1)N)N AB56399 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.2 COc1c(c(ccn1)O)Cl AB71177 [0,1,0,0,0,0|3,0,0]=4 421 B10R1.2 COc1cccc(c1Br)O MB06929 [0,1,0,0,0,0|2,0,0]=3 422 B10R1.2 COc1cccc(c1Cl)N PB11874 [0,1,0,0,0,0|2,0,0]=3 423 B10R1.2 COc1cccc(c1Cl)O MB06074 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.2 COc1cccc(c1F)O MB09318 [0,1,0,0,0,0|2,0,0]=3 425 B10R1.2 COc1cccc(c1I)O MB14766 [0,1,0,0,0,0|2,0,0]=3 426 B10R1.2 COc1cccc(c1N)O MB12204 [0,1,0,0,0,0|2,0,0]=3 427 B10R1.2 COc1cccc(c1O)Br PB18847 [0,1,0,0,0,0|1,0,0]=2 428 B10R1.2 COc1cccc(c1O)Cl MB25402 [0,1,0,0,0,0|1,0,0]=2 429 B10R1.2 COc1cccc(c1O)I MB09225 [0,1,0,0,0,0|1,0,0]=2 430 B10R1.2 COc1cccc(c1O)N MB25613 [0,1,0,0,0,0|1,0,0]=2 431 B10R1.2 COc1ccnc(c1Cl)N AB70635 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.2 COc1ccnc(c1Cl)O AB71172 [0,1,0,0,0,0|3,0,0]=4 433 B10R1.2 COc1ccnc(c1I)N AB48785 [0,1,0,0,0,0|3,0,0]=4 434 B10R1.2 COc1ccnc(c1N)Cl AB62572 [0,1,0,0,0,0|3,0,0]=4 435 B10R1.2 COc1ccnc(c1O)Cl AB71167 [0,1,0,0,0,0|2,0,0]=3 436 B10R1.2 COc1cncc(c1Cl)N AB64859 [0,1,0,0,0,0|3,0,0]=4 437 B10R1.2 COc1cncc(c1Cl)O AB75741 [0,1,0,0,0,0|3,0,0]=4 438 B10R1.2 COc1cncc(c1N)Cl AB75723 [0,1,0,0,0,0|3,0,0]=4 439 B10R1.2 COc1cncc(c1O)Cl AB75737 [0,1,0,0,0,0|2,0,0]=3 440 B10R1.2 CSc1cccc(c1Br)O MB26789 [0,1,0,0,0,0|2,0,0]=3 441 B10R1.2 CSc1cccc(c1Cl)O MB33312 [0,1,0,0,0,0|2,0,0]=3 442 B10R1.2 CSc1cccc(c1F)O MB25404 [0,1,0,0,0,0|2,0,0]=3 443 B10R1.2 CSc1cccc(c1I)O MB31760 [0,1,0,0,0,0|2,0,0]=3 444 B10R1.2 CSc1cccc(c1N)O MB32351 [0,1,0,0,0,0|2,0,0]=3 445 B10R1.2 CSc1cccc(c1O)Cl MB27718 [0,1,0,0,0,0|1,0,0]=2 446 B10R1.2 CSc1cccc(c1O)F MB25614 [0,1,0,0,0,0|1,0,0]=2 447 B10R1.2 CSc1cccc(c1O)I MB28360 [0,1,0,0,0,0|1,0,0]=2 448 B10R1.2 CSc1cccc(c1O)N MB28757 [0,1,0,0,0,0|1,0,0]=2 449 B10R1.2 Cc1c(c(ccn1)C=O)Cl AB71247 [0,1,0,0,0,0|2,0,1]=4 450 B10R1.2 Cc1c(c(ccn1)C=O)N AB70908 [0,1,0,0,0,0|2,0,1]=4 451 B10R1.2 Cc1c(c(ccn1)C=O)O AB24800 [0,1,0,0,0,0|1,0,1]=3 452 B10R1.2 Cc1c(c(ccn1)CCl)Cl AB71122 [0,1,0,0,0,0|2,0,0]=3 453 B10R1.2 Cc1c(c(ccn1)CN)Cl AB75137 [0,1,0,0,0,0|2,0,0]=3 454 B10R1.2 Cc1c(cccc1Br)C#N CB11199 [0,1,0,0,0,0|2,0,1]=4 455 B10R1.2 Cc1c(cccc1O)C#N MB02463 [0,1,0,0,0,0|2,0,1]=4 456 B10R1.2 Cc1c(cccc1O)C=O MB08410 [0,1,0,0,0,0|2,0,1]=4 457 B10R1.2 Cc1c(cccc1O)NC MB37053 [0,1,0,0,0,0|2,0,0]=3 458 B10R1.2 Cc1c(cccc1OC)O MB09432 [0,1,0,0,0,0|2,0,0]=3 459 B10R1.2 Cc1c(cccc1SC)O MB35924 [0,1,0,0,0,0|2,0,0]=3 460 B10R1.2 Cc1c(ccnc1CCl)Cl AB75387 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.2 Cc1c(ccnc1CCl)F AB82925 [0,1,0,0,0,0|3,0,0]=4 462 B10R1.2 Cc1c(ccnc1CN)Br AB40727 [0,1,0,0,0,0|3,0,0]=4 463 B10R1.2 Cc1c(ccnc1CN)Cl AB40719 [0,1,0,0,0,0|3,0,0]=4 464 B10R1.2 Cc1c(ccnc1CN)F AB82928 [0,1,0,0,0,0|3,0,0]=4 465 B10R1.2 Cc1c(ccnc1CO)Br AB53756 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.2 Cc1c(ccnc1Cl)CCl AB71116 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.2 Cc1c(ccnc1Cl)CN AB72647 [0,1,0,0,0,0|3,0,0]=4 468 B10R1.2 Cc1c(ccnc1F)CCl AB71238 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.2 Cc1c(ccnc1F)CN AB82854 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.2 Cc1c(cncc1Cl)CCl AB83287 [0,1,0,0,0,0|3,0,0]=4 471 B10R1.2 Cc1c(cncc1Cl)CN AB83289 [0,1,0,0,0,0|3,0,0]=4 472 B10R1.2 Cc1c(cncc1OC)N CB11797 [0,1,0,0,0,0|3,0,0]=4 473 B10R1.2 Cc1c(nccc1C=O)C AB62887 [0,1,0,0,0,0|2,0,1]=4 474 B10R1.2 Cc1c(nccc1CCl)C AB75402 [0,1,0,0,0,0|2,0,0]=3 475 B10R1.2 Cc1c(nccc1CN)C AB75354 [0,1,0,0,0,0|2,0,0]=3 476 B10R1.2 Cc1c(nccc1CO)C AB62891 [0,1,0,0,0,0|2,0,0]=3 477 B10R1.2 Cc1cccc(c1N)C#N MB08131 [0,1,0,0,0,0|1,0,1]=3 478 B10R1.2 Cc1cccc(c1N)CN MB08906 [0,1,0,0,0,0|1,0,0]=2 479 B10R1.2 Cc1cccc(c1N)OC AB02877 [0,1,0,0,0,0|1,0,0]=2 480 B10R1.2 Cc1cccc(c1O)C#N MB07838 [0,1,0,0,0,0|0,0,1]=2 481 B10R1.2 Cc1cccc(c1O)CN MB05058 [0,1,0,0,0,0|0,0,0]=1 482 B10R1.2 Cc1cccc(c1O)NC MB31993 [0,1,0,0,0,0|0,0,0]=1 483 B10R1.2 Cc1cccc(c1O)SC MB31066 [0,1,0,0,0,0|0,0,0]=1 484 B10R1.2 Cc1ccnc(c1Br)OC PB25008 [0,1,0,0,0,0|2,0,0]=3 485 B10R1.2 Cc1ccnc(c1C)C=O AB66597 [0,1,0,0,0,0|2,0,1]=4 486 B10R1.2 Cc1ccnc(c1C)CCl AB49318 [0,1,0,0,0,0|2,0,0]=3 487 B10R1.2 Cc1ccnc(c1C)CN AB76790 [0,1,0,0,0,0|2,0,0]=3 488 B10R1.2 Cc1ccnc(c1Cl)C=O AB44896 [0,1,0,0,0,0|2,0,1]=4 489 B10R1.2 Cc1ccnc(c1Cl)CCl AB83300 [0,1,0,0,0,0|2,0,0]=3 490 B10R1.2 Cc1ccnc(c1Cl)CN AB83302 [0,1,0,0,0,0|2,0,0]=3 491 B10R1.2 Cc1ccnc(c1F)C#N AB63156 [0,1,0,0,0,0|2,0,1]=4 492 B10R1.2 Cc1ccnc(c1N)C=O AB83759 [0,1,0,0,0,0|2,0,1]=4 493 B10R1.2 Cc1ccnc(c1O)C=O AB75246 [0,1,0,0,0,0|1,0,1]=3 494 B10R1.2 Cc1cncc(c1C)C=O AB76785 [0,1,0,0,0,0|2,0,1]=4 495 B10R1.2 Cc1cncc(c1C)CCl AB75396 [0,1,0,0,0,0|2,0,0]=3 496 B10R1.2 Cc1cncc(c1C)CN AB76787 [0,1,0,0,0,0|2,0,0]=3 497 B10R1.2 Cc1cncc(c1Cl)C=O AB67499 [0,1,0,0,0,0|2,0,1]=4 498 B10R1.2 Cc1cncc(c1Cl)CCl AB83266 [0,1,0,0,0,0|2,0,0]=3 499 B10R1.2 Cc1cncc(c1Cl)CN AB83269 [0,1,0,0,0,0|2,0,0]=3 500 B10R1.2 Cc1cncc(c1F)C=O AB75176 [0,1,0,0,0,0|2,0,1]=4 501 B10R1.2 Cc1cncc(c1F)CCl AB82938 [0,1,0,0,0,0|2,0,0]=3 502 B10R1.2 Cc1cncc(c1F)CN AB82941 [0,1,0,0,0,0|2,0,0]=3 503 B10R1.2 Cc1cncc(c1N)C=O AB83665 [0,1,0,0,0,0|2,0,1]=4 504 B10R1.2 Cc1cncc(c1O)C=O AB75247 [0,1,0,0,0,0|1,0,1]=3 505 B10R1.2 Cn1cccc(c1=O)CN PB24240 [0,1,0,0,0,0|1,0,1]=3 506 B10R1.2 Cn1cccc(c1=O)CO PB13713 [0,1,0,0,0,0|1,0,1]=3 507 B10R1.2 c1c(c(c(cn1)Br)O)C=O AB84418 [0,1,0,0,0,0|2,0,1]=4 508 B10R1.2 c1c(c(c(cn1)Cl)F)CCl AB82974 [0,1,0,0,0,0|3,0,0]=4 509 B10R1.2 c1c(c(c(cn1)Cl)F)CN AB75056 [0,1,0,0,0,0|3,0,0]=4 510 B10R1.2 c1c(c(c(cn1)Cl)N)CN AB83904 [0,1,0,0,0,0|3,0,0]=4 511 B10R1.2 c1c(c(c(cn1)Cl)O)C=O AB84026 [0,1,0,0,0,0|2,0,1]=4 512 B10R1.2 c1c(c(c(cn1)Cl)O)CCl AB84031 [0,1,0,0,0,0|2,0,0]=3 513 B10R1.2 c1c(c(c(cn1)Cl)O)CN AB84033 [0,1,0,0,0,0|2,0,0]=3 514 B10R1.2 c1c(c(c(cn1)F)Cl)CCl AB83148 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.2 c1c(c(c(cn1)F)Cl)CN AB83149 [0,1,0,0,0,0|3,0,0]=4 516 B10R1.2 c1c(c(c(cn1)N)Cl)CN AB83884 [0,1,0,0,0,0|3,0,0]=4 517 B10R1.2 c1c(c(c(cn1)N)O)C=O AB84419 [0,1,0,0,0,0|2,0,1]=4 518 B10R1.2 c1c(c(c(cn1)O)Cl)CCl AB83999 [0,1,0,0,0,0|3,0,0]=4 519 B10R1.2 c1c(c(c(cn1)O)Cl)CN AB84000 [0,1,0,0,0,0|3,0,0]=4 520 B10R1.2 c1cc(c(c(c1)Br)Cl)C#N CB11304 [0,1,0,0,0,0|2,0,1]=4 521 B10R1.2 c1cc(c(c(c1)Br)O)C#N PB14860 [0,1,0,0,0,0|1,0,1]=3 522 B10R1.2 c1cc(c(c(c1)Br)O)C=O AB01203 [0,1,0,0,0,0|1,0,1]=3 523 B10R1.2 c1cc(c(c(c1)Br)O)CN MB05060 [0,1,0,0,0,0|1,0,0]=2 524 B10R1.2 c1cc(c(c(c1)Cl)Br)C#N MB08912 [0,1,0,0,0,0|2,0,1]=4 525 B10R1.2 c1cc(c(c(c1)Cl)Br)C=O MB08895 [0,1,0,0,0,0|2,0,1]=4 526 B10R1.2 c1cc(c(c(c1)Cl)F)C=O AB09379 [0,1,0,0,0,0|2,0,1]=4 527 B10R1.2 c1cc(c(c(c1)Cl)I)C#N AB72108 [0,1,0,0,0,0|2,0,1]=4 528 B10R1.2 c1cc(c(c(c1)Cl)O)C#N MB08412 [0,1,0,0,0,0|1,0,1]=3 529 B10R1.2 c1cc(c(c(c1)Cl)O)C=O AB21383 [0,1,0,0,0,0|1,0,1]=3 530 B10R1.2 c1cc(c(c(c1)Cl)O)CN MB34616 [0,1,0,0,0,0|1,0,0]=2 531 B10R1.2 c1cc(c(c(c1)F)Br)C#N AB32074 [0,1,0,0,0,0|2,0,1]=4 532 B10R1.2 c1cc(c(c(c1)F)F)CCl AB13673 [0,1,0,0,0,0|2,0,0]=3 533 B10R1.2 c1cc(c(c(c1)F)O)C#N MB11932 [0,1,0,0,0,0|1,0,1]=3 534 B10R1.2 c1cc(c(c(c1)F)O)C=O AB00313 [0,1,0,0,0,0|1,0,1]=3 535 B10R1.2 c1cc(c(c(c1)F)O)CN MB05070 [0,1,0,0,0,0|1,0,0]=2 536 B10R1.2 c1cc(c(c(c1)I)O)C#N MB14863 [0,1,0,0,0,0|1,0,1]=3 537 B10R1.2 c1cc(c(c(c1)I)O)C=O MB12368 [0,1,0,0,0,0|1,0,1]=3 538 B10R1.2 c1cc(c(c(c1)I)O)CN MB29107 [0,1,0,0,0,0|1,0,0]=2 539 B10R1.2 c1cc(c(c(c1)N)F)C#N AB43380 [0,1,0,0,0,0|2,0,1]=4 540 B10R1.2 c1cc(c(c(c1)N)F)CN AB65760 [0,1,0,0,0,0|2,0,0]=3 541 B10R1.2 c1cc(c(c(c1)N)O)C#N MB02411 [0,1,0,0,0,0|1,0,1]=3 542 B10R1.2 c1cc(c(c(c1)N)O)CN MB34782 [0,1,0,0,0,0|1,0,0]=2 543 B10R1.2 c1cc(c(c(c1)O)Br)C#N MB07308 [0,1,0,0,0,0|2,0,1]=4 544 B10R1.2 c1cc(c(c(c1)O)Br)C=O AB03304 [0,1,0,0,0,0|2,0,1]=4 545 B10R1.2 c1cc(c(c(c1)O)Br)CN MB08516 [0,1,0,0,0,0|2,0,0]=3 546 B10R1.2 c1cc(c(c(c1)O)Cl)C#N MB10145 [0,1,0,0,0,0|2,0,1]=4 547 B10R1.2 c1cc(c(c(c1)O)F)C=O AB63446 [0,1,0,0,0,0|2,0,1]=4 548 B10R1.2 c1cc(c(c(c1)O)F)CN MB25461 [0,1,0,0,0,0|2,0,0]=3 549 B10R1.2 c1cc(c(c(c1)O)I)C#N MB28827 [0,1,0,0,0,0|2,0,1]=4 550 B10R1.2 c1cc(c(c(c1)O)I)C=O MB07518 [0,1,0,0,0,0|2,0,1]=4 551 B10R1.2 c1cc(c(c(c1)O)I)CN MB34403 [0,1,0,0,0,0|2,0,0]=3 552 B10R1.2 c1cc(c(c(c1)O)N)C#N MB09969 [0,1,0,0,0,0|2,0,1]=4 553 B10R1.2 c1cc(c(c(c1)O)N)C=O MB38000 [0,1,0,0,0,0|2,0,1]=4 554 B10R1.2 c1cc(c(c(c1)O)N)CN MB35261 [0,1,0,0,0,0|2,0,0]=3 555 B10R1.2 c1cnc(c(c1Br)O)C=O AB84603 [0,1,0,0,0,0|2,0,1]=4 556 B10R1.2 c1cnc(c(c1C=O)O)Br AB69695 [0,1,0,0,0,0|2,0,1]=4 557 B10R1.2 c1cnc(c(c1C=O)O)Cl AB69323 [0,1,0,0,0,0|2,0,1]=4 558 B10R1.2 c1cnc(c(c1C=O)O)N AB84363 [0,1,0,0,0,0|2,0,1]=4 559 B10R1.2 c1cnc(c(c1CCl)Cl)F AB66313 [0,1,0,0,0,0|3,0,0]=4 560 B10R1.2 c1cnc(c(c1CCl)Cl)O AB71003 [0,1,0,0,0,0|3,0,0]=4 561 B10R1.2 c1cnc(c(c1CCl)F)Cl AB70985 [0,1,0,0,0,0|3,0,0]=4 562 B10R1.2 c1cnc(c(c1CCl)O)Cl AB71002 [0,1,0,0,0,0|2,0,0]=3 563 B10R1.2 c1cnc(c(c1CN)Cl)F AB66314 [0,1,0,0,0,0|3,0,0]=4 564 B10R1.2 c1cnc(c(c1CN)Cl)N AB83937 [0,1,0,0,0,0|3,0,0]=4 565 B10R1.2 c1cnc(c(c1CN)F)Cl AB76202 [0,1,0,0,0,0|3,0,0]=4 566 B10R1.2 c1cnc(c(c1CN)O)Cl AB76795 [0,1,0,0,0,0|2,0,0]=3 567 B10R1.2 c1cnc(c(c1Cl)F)CCl AB70769 [0,1,0,0,0,0|3,0,0]=4 568 B10R1.2 c1cnc(c(c1Cl)F)CN AB70770 [0,1,0,0,0,0|3,0,0]=4 569 B10R1.2 c1cnc(c(c1Cl)O)C=O AB75013 [0,1,0,0,0,0|2,0,1]=4 570 B10R1.2 c1cnc(c(c1Cl)O)CCl AB83984 [0,1,0,0,0,0|2,0,0]=3 571 B10R1.2 c1cnc(c(c1Cl)O)CN AB76801 [0,1,0,0,0,0|2,0,0]=3 572 B10R1.2 c1cnc(c(c1F)Cl)CCl AB83006 [0,1,0,0,0,0|3,0,0]=4 573 B10R1.2 c1cnc(c(c1F)Cl)CN AB83007 [0,1,0,0,0,0|3,0,0]=4 574 B10R1.2 c1cnc(c(c1N)Cl)CN AB83927 [0,1,0,0,0,0|3,0,0]=4 575 B10R1.2 c1cnc(c(c1N)O)C=O AB84604 [0,1,0,0,0,0|2,0,1]=4 576 B10R1.2 c1cnc(c(c1O)Cl)CCl AB84054 [0,1,0,0,0,0|3,0,0]=4 577 B10R1.2 c1cnc(c(c1O)Cl)CN AB84056 [0,1,0,0,0,0|3,0,0]=4 578 B10R1.22 Cc1c(c(nc(n1)C)C)Br AB72378 [0,1,0,0,0,0|3,0,0]=4 579 B10R1.22 Cc1c(c(nc(n1)N)C)Cl AB54992 [0,1,0,0,0,0|3,0,0]=4 580 B10R1.22 Cc1cc(nc(c1C)C)Br AB82584 [0,1,0,0,0,0|2,0,0]=3 581 B10R1.22 Cc1cc(nc(c1C)C)N AB76138 [0,1,0,0,0,0|2,0,0]=3 582 B10R1.22 Cc1cc(nc(c1C)C)O AB82587 [0,1,0,0,0,0|2,0,0]=3 583 B10R1.22 Cc1cc(nc(c1C)O)O AB21779 [0,1,0,0,0,0|3,0,0]=4 584 B10R1.22 Cc1cc(nc(c1N)N)C AB44982 [0,1,0,0,0,0|3,0,0]=4 585 B10R1.22 Cc1cc(nc(c1N)N)Cl PB31872 [0,1,0,0,0,0|3,0,0]=4 586 B10R1.22 Cn1cc(cc(c1=O)N)Br PB10719 [0,1,0,0,0,0|2,0,1]=4 587 B10R1.22 c1c(cc(c(c1Br)Br)Br)N AB11948 [0,1,0,0,0,0|3,0,0]=4 588 B10R1.22 c1c(cc(c(c1Br)Br)Br)S AB65762 [0,1,0,0,0,0|3,0,0]=4 589 B10R1.22 c1c(cc(c(c1Cl)Br)Cl)F CB11555 [0,1,0,0,0,0|3,0,0]=4 590 B10R1.22 c1c(cc(c(c1F)F)Cl)Br AB64596 [0,1,0,0,0,0|3,0,0]=4 591 B10R1.22 c1c(cc(c(c1F)N)F)Br MB00220 [0,1,0,0,0,0|3,0,0]=4 592 B10R1.119 Cc1c(ccc(c1Cl)Br)N CB10999 [0,1,0,0,0,0|2,0,0]=3 593 B10R1.119 Cc1c(ccc(c1F)F)Br AB42398 [0,1,0,0,0,0|2,0,0]=3 594 B10R1.119 Cc1c(cnc(c1Br)N)Br AB09556 [0,1,0,0,0,0|3,0,0]=4 595 B10R1.119 Cc1c(cnc(c1Br)O)Br AB23695 [0,1,0,0,0,0|3,0,0]=4 596 B10R1.119 Cc1c(cnc(c1Cl)N)Cl AB03636 [0,1,0,0,0,0|3,0,0]=4 597 B10R1.119 Cc1c(cnc(c1N)N)Br PB25025 [0,1,0,0,0,0|3,0,0]=4 598 B10R1.119 Cc1ccc(c(c1O)C)O AB24905 [0,1,0,0,0,0|0,0,0]=1 599 B10R1.119 Cc1ccc(c(c1O)Cl)N AB13339 [0,1,0,0,0,0|1,0,0]=2 600 B10R1.119 c1cc(c(c(c1Cl)N)Cl)Br PB16810 [0,1,0,0,0,0|3,0,0]=4 601 B10R1.119 c1cc(c(c(c1N)F)F)Br CB11209 [0,1,0,0,0,0|3,0,0]=4 602 B10R1.119 c1cc(c(c(c1N)I)F)Cl AB73418 [0,1,0,0,0,0|3,0,0]=4 603 B10R1.245 CCc1c(cccc1Br)O MB23614 [0,1,0,0,0,0|3,0,0]=4 604 B10R1.245 CCc1c(cccc1Cl)O MB23615 [0,1,0,0,0,0|3,0,0]=4 605 B10R1.245 CCc1c(cccc1F)O MB23585 [0,1,0,0,0,0|3,0,0]=4 606 B10R1.245 CCc1c(cccc1I)O MB23587 [0,1,0,0,0,0|3,0,0]=4 607 B10R1.245 CCc1c(cccc1O)C MB23554 [0,1,0,0,0,0|2,0,0]=3 608 B10R1.245 CCc1c(cccc1O)N MB23558 [0,1,0,0,0,0|3,0,0]=4 609 B10R1.245 CNc1c(cccc1Br)O MB31500 [0,1,0,0,0,0|3,0,0]=4 610 B10R1.245 CNc1c(cccc1Cl)O MB33359 [0,1,0,0,0,0|3,0,0]=4 611 B10R1.245 CNc1c(cccc1F)O MB29137 [0,1,0,0,0,0|3,0,0]=4 612 B10R1.245 CNc1c(cccc1I)O MB30346 [0,1,0,0,0,0|3,0,0]=4 613 B10R1.245 CNc1c(cccc1O)N MB01610 [0,1,0,0,0,0|3,0,0]=4 614 B10R1.245 COc1c(cccc1Br)F AB21504 [0,1,0,0,0,0|2,0,0]=3 615 B10R1.245 COc1c(cccc1Br)O MB09199 [0,1,0,0,0,0|2,0,0]=3 616 B10R1.245 COc1c(cccc1Cl)O MB34190 [0,1,0,0,0,0|2,0,0]=3 617 B10R1.245 COc1c(cccc1F)N MB00204 [0,1,0,0,0,0|2,0,0]=3 618 B10R1.245 COc1c(cccc1I)O MB33689 [0,1,0,0,0,0|2,0,0]=3 619 B10R1.245 COc1c(cccc1O)N MB14425 [0,1,0,0,0,0|2,0,0]=3 620 B10R1.245 CSc1c(cccc1Br)O MB32344 [0,1,0,0,0,0|2,1,0]=4 621 B10R1.245 CSc1c(cccc1Cl)O MB25403 [0,1,0,0,0,0|2,1,0]=4 622 B10R1.245 CSc1c(cccc1I)O MB36697 [0,1,0,0,0,0|2,1,0]=4 623 B10R1.245 CSc1c(cccc1O)N MB26572 [0,1,0,0,0,0|2,1,0]=4 624 B10R1.245 Cc1c(c(ccn1)Br)C=O AB66858 [0,1,0,0,0,0|2,0,1]=4 625 B10R1.245 Cc1c(c(ccn1)Cl)C=O AB66851 [0,1,0,0,0,0|2,0,1]=4 626 B10R1.245 Cc1c(c(ccn1)Cl)CCl AB83333 [0,1,0,0,0,0|3,0,0]=4 627 B10R1.245 Cc1c(c(ccn1)Cl)CN AB83336 [0,1,0,0,0,0|3,0,0]=4 628 B10R1.245 Cc1c(c(ccn1)Cl)OC PB19448 [0,1,0,0,0,0|2,0,0]=3 629 B10R1.245 Cc1c(c(ccn1)F)C=O AB68033 [0,1,0,0,0,0|2,0,1]=4 630 B10R1.245 Cc1c(c(ccn1)F)CCl AB83019 [0,1,0,0,0,0|3,0,0]=4 631 B10R1.245 Cc1c(c(ccn1)F)CN AB83020 [0,1,0,0,0,0|3,0,0]=4 632 B10R1.245 Cc1c(c(ccn1)N)C=O AB68110 [0,1,0,0,0,0|2,0,1]=4 633 B10R1.245 Cc1c(c(ccn1)O)C=O AB84477 [0,1,0,0,0,0|2,0,1]=4 634 B10R1.245 Cc1cccc(c1C#N)O MB02406 [0,1,0,0,0,0|2,0,0]=3 635 B10R1.245 Cc1cccc(c1C=O)O MB14829 [0,1,0,0,0,0|1,0,1]=3 636 B10R1.245 Cc1cccc(c1CCl)C AB08451 [0,1,0,0,0,0|1,0,0]=2 637 B10R1.245 Cc1cccc(c1CN)O MB25667 [0,1,0,0,0,0|2,0,0]=3 638 B10R1.245 Cc1cccc(c1CO)C AB03562 [0,1,0,0,0,0|0,0,0]=1 639 B10R1.245 Cc1cccc(c1OC)O MB33579 [0,1,0,0,0,0|1,0,0]=2 640 B10R1.245 Cc1cccc(c1SC)O MB08534 [0,1,0,0,0,0|1,1,0]=3 641 B10R1.245 Cc1ccnc(c1C#N)Cl AB30548 [0,1,0,0,0,0|3,0,0]=4 642 B10R1.245 Cc1ccnc(c1C#N)N PB26426 [0,1,0,0,0,0|3,0,0]=4 643 B10R1.245 Cc1ccnc(c1C=O)C AB63129 [0,1,0,0,0,0|1,0,1]=3 644 B10R1.245 Cc1ccnc(c1C=O)Cl AB44897 [0,1,0,0,0,0|2,0,1]=4 645 B10R1.245 Cc1ccnc(c1C=O)F AB44902 [0,1,0,0,0,0|2,0,1]=4 646 B10R1.245 Cc1ccnc(c1C=O)N AB70910 [0,1,0,0,0,0|2,0,1]=4 647 B10R1.245 Cc1ccnc(c1C=O)O AB71364 [0,1,0,0,0,0|2,0,1]=4 648 B10R1.245 Cc1ccnc(c1CCl)C AB75399 [0,1,0,0,0,0|2,0,0]=3 649 B10R1.245 Cc1ccnc(c1CCl)Cl AB71112 [0,1,0,0,0,0|3,0,0]=4 650 B10R1.245 Cc1ccnc(c1CCl)F AB71236 [0,1,0,0,0,0|3,0,0]=4 651 B10R1.245 Cc1ccnc(c1CN)C AB75357 [0,1,0,0,0,0|2,0,0]=3 652 B10R1.245 Cc1ccnc(c1CN)Cl AB74563 [0,1,0,0,0,0|3,0,0]=4 653 B10R1.245 Cc1ccnc(c1CN)F AB83056 [0,1,0,0,0,0|3,0,0]=4 654 B10R1.245 Cc1cncc(c1C#N)C AB63049 [0,1,0,0,0,0|2,0,0]=3 655 B10R1.245 Cc1cncc(c1C=O)C AB24811 [0,1,0,0,0,0|1,0,1]=3 656 B10R1.245 Cc1cncc(c1C=O)Cl AB75138 [0,1,0,0,0,0|2,0,1]=4 657 B10R1.245 Cc1cncc(c1C=O)F AB75180 [0,1,0,0,0,0|2,0,1]=4 658 B10R1.245 Cc1cncc(c1C=O)N AB83619 [0,1,0,0,0,0|2,0,1]=4 659 B10R1.245 Cc1cncc(c1C=O)O AB75255 [0,1,0,0,0,0|2,0,1]=4 660 B10R1.245 Cc1cncc(c1CCl)C AB75400 [0,1,0,0,0,0|2,0,0]=3 661 B10R1.245 Cc1cncc(c1CCl)Cl AB83249 [0,1,0,0,0,0|3,0,0]=4 662 B10R1.245 Cc1cncc(c1CCl)F AB82911 [0,1,0,0,0,0|3,0,0]=4 663 B10R1.245 Cc1cncc(c1CN)C AB65429 [0,1,0,0,0,0|2,0,0]=3 664 B10R1.245 Cc1cncc(c1CN)Cl AB83251 [0,1,0,0,0,0|3,0,0]=4 665 B10R1.245 Cc1cncc(c1CN)F AB82914 [0,1,0,0,0,0|3,0,0]=4 666 B10R1.245 c1cc(c(c(c1)Br)C#N)Cl MB03774 [0,1,0,0,0,0|3,0,0]=4 667 B10R1.245 c1cc(c(c(c1)Br)C#N)O MB12048 [0,1,0,0,0,0|3,0,0]=4 668 B10R1.245 c1cc(c(c(c1)Br)C=O)Br CB11474 [0,1,0,0,0,0|2,0,1]=4 669 B10R1.245 c1cc(c(c(c1)Br)C=O)Cl MB01095 [0,1,0,0,0,0|2,0,1]=4 670 B10R1.245 c1cc(c(c(c1)Br)C=O)F AB14028 [0,1,0,0,0,0|2,0,1]=4 671 B10R1.245 c1cc(c(c(c1)Br)C=O)N PB34549 [0,1,0,0,0,0|2,0,1]=4 672 B10R1.245 c1cc(c(c(c1)Br)C=O)O AB43626 [0,1,0,0,0,0|2,0,1]=4 673 B10R1.245 c1cc(c(c(c1)Br)CN)O MB12052 [0,1,0,0,0,0|3,0,0]=4 674 B10R1.245 c1cc(c(c(c1)Br)CO)F AB50340 [0,1,0,0,0,0|2,0,0]=3 675 B10R1.245 c1cc(c(c(c1)Cl)C#N)O PB19932 [0,1,0,0,0,0|3,0,0]=4 676 B10R1.245 c1cc(c(c(c1)Cl)C=O)N AB58431 [0,1,0,0,0,0|2,0,1]=4 677 B10R1.245 c1cc(c(c(c1)Cl)C=O)O MB01945 [0,1,0,0,0,0|2,0,1]=4 678 B10R1.245 c1cc(c(c(c1)Cl)CN)O MB15041 [0,1,0,0,0,0|3,0,0]=4 679 B10R1.245 c1cc(c(c(c1)F)C=O)O MB01694 [0,1,0,0,0,0|2,0,1]=4 680 B10R1.245 c1cc(c(c(c1)F)CN)O MB03739 [0,1,0,0,0,0|3,0,0]=4 681 B10R1.245 c1cc(c(c(c1)I)C#N)F AB01183 [0,1,0,0,0,0|3,0,0]=4 682 B10R1.245 c1cc(c(c(c1)I)C#N)O MB37282 [0,1,0,0,0,0|3,0,0]=4 683 B10R1.245 c1cc(c(c(c1)I)C=O)O MB14699 [0,1,0,0,0,0|2,0,1]=4 684 B10R1.245 c1cc(c(c(c1)I)CN)O MB31821 [0,1,0,0,0,0|3,0,0]=4 685 B10R1.245 c1cc(c(c(c1)O)C#N)N MB34868 [0,1,0,0,0,0|3,0,0]=4 686 B10R1.245 c1cc(c(c(c1)O)C=O)N MB27161 [0,1,0,0,0,0|2,0,1]=4 687 B10R1.245 c1cc(c(c(c1)O)CN)N MB31845 [0,1,0,0,0,0|3,0,0]=4 688 B8R1.50 Cc1c(c(on1)C)Br PB14113 [0,0,0,0,1,0|3,0,0]=4 689 B8R1.50 Cc1c(c(on1)C)I AB04361 [0,0,0,0,1,0|3,0,0]=4 690 B8R1.50 Cc1cnn(c1Br)C AB84867 [0,0,0,0,1,0|3,0,0]=4 691 B7R1.3 Cc1cccnn1 PB33649 [2,0,0,0,0,0|2,0,0]=4 692 B7R1.3 Cc1ccncn1 PB17038 [2,0,0,0,0,0|2,0,0]=4 693 B7R1.3 Cc1ccnnc1 PB24546 [2,0,0,0,0,0|2,0,0]=4 694 B7R1.3 c1c(cncn1)O PB27730 [2,0,0,0,0,0|2,0,0]=4 695 B7R1.3 c1cc(cnc1)Br AB00739 [2,0,0,0,0,0|2,0,0]=4 696 B7R1.3 c1cc(cnc1)I AB01382 [2,0,0,0,0,0|2,0,0]=4 697 B7R1.3 c1cc(cnc1)[O-] MB00567 [2,0,0,0,0,0|1,0,1]=4 698 B7R1.3 c1cc(nnc1)O PB32258 [2,0,0,0,0,0|2,0,0]=4 699 B7R1.3 c1ccnc(c1)Br AB00627 [2,0,0,0,0,0|2,0,0]=4 700 B7R1.3 c1cnc(cn1)O AB05056 [2,0,0,0,0,0|2,0,0]=4 701 B7R1.3 c1cnccc1Br AB05093 [2,0,0,0,0,0|2,0,0]=4 702 B7R1.3 c1cnccc1I AB10861 [2,0,0,0,0,0|2,0,0]=4 703 B7R1.3 c1cnccc1O PB17041 [2,0,0,0,0,0|1,0,0]=3 704 B7R1.3 c1cncnc1O PB32093 [2,0,0,0,0,0|2,0,0]=4 705 B9R1.2 CCc1cc(ccn1)Br AB63995 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.2 CCc1cc(ccn1)O MB11624 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.2 CCc1cc(cnc1)Br PB34416 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.2 CCc1cc(cnc1)O MB12329 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.2 CCc1cccc(n1)Br MB10338 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.2 CNc1cc(ccn1)Br MB07801 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.2 CNc1cc(ccn1)O MB29569 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.2 CNc1cc(cnc1)Br MB13417 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.2 CNc1cc(cnc1)O MB32689 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.2 CNc1cccc(c1)O MB25493 [1,1,0,0,0,0|1,0,0]=3 715 B9R1.2 CNc1cccc(n1)Br AB50070 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.2 CNc1cccc(n1)Cl AB05190 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.2 CNc1ccnc(c1)Cl AB60612 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.2 COc1cc(ccn1)Br AB44876 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.2 COc1cc(ccn1)Cl AB27571 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.2 COc1cc(ccn1)F AB53299 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.2 COc1cc(ccn1)I MB06098 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.2 COc1cc(ccn1)N PB20942 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.2 COc1cc(ccn1)O MB11972 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.2 COc1cc(cnc1)Br PB24634 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.2 COc1cc(cnc1)Cl AB55073 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.2 COc1cc(cnc1)F AB66777 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.2 COc1cc(cnc1)I AB43793 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.2 COc1cc(cnc1)N PB12653 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.2 COc1cc(cnc1)N PB25488 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.2 COc1cc(cnc1)O AB29711 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.2 COc1cccc(n1)Cl AB00671 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.2 COc1cccc(n1)F AB55818 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.2 COc1cccc(n1)I AB31101 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.2 COc1cccc(n1)N AB21183 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.2 COc1cccc(n1)O AB31854 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.2 COc1ccnc(c1)Br AB23696 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.2 COc1ccnc(c1)Cl AB10868 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.2 COc1ccnc(c1)F AB66367 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.2 COc1ccnc(c1)N AB41933 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.2 CSc1cc(ccn1)Br MB09718 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.2 CSc1cc(ccn1)O MB36936 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.2 CSc1cc(cnc1)Br MB06469 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.2 CSc1cc(cnc1)O MB28894 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.2 CSc1cccc(n1)Br MB07302 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.2 Cc1cc(ccn1)C#C AB66571 [1,1,0,0,0,0|1,0,1]=4 746 B9R1.2 Cc1cc(ccn1)C=O AB24827 [1,1,0,0,0,0|1,0,1]=4 747 B9R1.2 Cc1cc(ccn1)CCl AB59910 [1,1,0,0,0,0|1,0,0]=3 748 B9R1.2 Cc1cc(ccn1)CN AB25370 [1,1,0,0,0,0|1,0,0]=3 749 B9R1.2 Cc1cc(cnc1)C=O PB18860 [1,1,0,0,0,0|1,0,1]=4 750 B9R1.2 Cc1cc(cnc1)CCl AB55820 [1,1,0,0,0,0|1,0,0]=3 751 B9R1.2 Cc1cc(cnc1)CN AB23459 [1,1,0,0,0,0|1,0,0]=3 752 B9R1.2 Cc1cc(cnc1)CO PB10532 [1,1,0,0,0,0|1,0,0]=3 753 B9R1.2 Cc1cc(cnc1)OC AB64998 [1,1,0,0,0,0|1,0,0]=3 754 B9R1.2 Cc1cc(ncn1)CO PB11190 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.2 Cc1cc(nnc1)CN PB37868 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.2 Cc1cccc(n1)C#N AB04512 [1,1,0,0,0,0|1,0,1]=4 757 B9R1.2 Cc1cccc(n1)C=O AB00683 [1,1,0,0,0,0|1,0,1]=4 758 B9R1.2 Cc1cccc(n1)CCl AB49651 [1,1,0,0,0,0|1,0,0]=3 759 B9R1.2 Cc1cccc(n1)CN AB22796 [1,1,0,0,0,0|1,0,0]=3 760 B9R1.2 Cc1cccc(n1)NC AB60602 [1,1,0,0,0,0|1,0,0]=3 761 B9R1.2 Cc1ccnc(c1)C#C AB66576 [1,1,0,0,0,0|1,0,1]=4 762 B9R1.2 Cc1ccnc(c1)C#N AB03610 [1,1,0,0,0,0|1,0,1]=4 763 B9R1.2 Cc1ccnc(c1)CCl AB42303 [1,1,0,0,0,0|1,0,0]=3 764 B9R1.2 Cc1ccnc(c1)CN AB23452 [1,1,0,0,0,0|1,0,0]=3 765 B9R1.2 Cc1ccnc(n1)CCl PB25297 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.2 Cc1ccnc(n1)CN PB16292 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.2 Cc1ccnc(n1)CO PB24151 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.2 Cc1cncc(n1)CCl AB60498 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.2 Cc1cncc(n1)CN AB72296 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.2 Cc1nccc(n1)CCl AB58939 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.2 Cc1nccc(n1)CN AB43194 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.2 c1c(cncc1Br)CCl AB60029 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.2 c1c(cncc1Br)CCl PB25120 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.2 c1c(cncc1Br)CN PB23445 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.2 c1c(cncc1Br)CO PB29242 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.2 c1c(cncc1Cl)CCl AB60038 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.2 c1c(cncc1Cl)CCl PB33259 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.2 c1c(cncc1Cl)CN AB63152 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.2 c1c(cncc1F)CCl PB35002 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.2 c1c(cncc1F)CN PB29533 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.2 c1c(cncc1F)CO PB12255 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.2 c1c(cncc1I)CCl AB45545 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.2 c1c(cncc1I)CO AB45541 [1,1,0,0,0,0|2,0,0]=4 784 B9R1.2 c1c(cncc1N)CN AB31384 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.2 c1c(cncc1N)CO AB31625 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.2 c1c(cncc1O)CN MB28837 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.2 c1cc(c[n+](c1)[O-])CCl AB59951 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [1,1,0,0,0,0|1,0,0]=3 789 B9R1.2 c1cc(cc(c1)Br)NN AB11945 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [1,1,0,0,0,0|1,0,0]=3 791 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.2 c1cc(nc(c1)F)CN AB66365 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.2 c1cc(nc(c1)I)CO AB42511 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.2 c1cc(nc(c1)N)CO AB53761 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.2 c1cnc(cc1Br)CCl AB67964 [1,1,0,0,0,0|2,0,0]=4 803 B9R1.2 c1cnc(cc1Br)CN PB17414 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.2 c1cnc(cc1Br)CO PB31388 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.2 c1cnc(cc1CCl)Br AB65254 [1,1,0,0,0,0|2,0,0]=4 806 B9R1.2 c1cnc(cc1CCl)Cl AB55687 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.2 c1cnc(cc1CCl)Cl AB59906 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.2 c1cnc(cc1CCl)F AB59901 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.2 c1cnc(cc1CN)Br AB31307 [1,1,0,0,0,0|2,0,0]=4 810 B9R1.2 c1cnc(cc1CN)Cl PB15828 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.2 c1cnc(cc1CN)F AB63132 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.2 c1cnc(cc1CN)F AB63135 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.2 c1cnc(cc1CN)N AB23468 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.2 c1cnc(cc1CO)Br AB17330 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.2 c1cnc(cc1CO)Cl PB21002 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.2 c1cnc(cc1CO)N PB33706 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.2 c1cnc(cc1Cl)CN PB27784 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.2 c1cnc(cc1Cl)CO PB23493 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.2 c1cnc(cc1F)CCl AB68051 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.2 c1cnc(cc1F)CN AB65162 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.2 c1cnc(cc1O)CN MB14853 [1,1,0,0,0,0|2,0,0]=4 824 B9R1.34 Cc1cc([nH]c(=O)c1)O PB33379 [1,1,0,0,0,0|2,0,0]=4 825 B9R1.34 Cc1cc(cc(c1)Br)Cl AB45173 [1,1,0,0,0,0|1,0,0]=3 826 B9R1.34 Cc1cc(cc(c1)Br)F AB10112 [1,1,0,0,0,0|1,0,0]=3 827 B9R1.34 Cc1cc(cc(c1)Br)O MB06890 [1,1,0,0,0,0|1,0,0]=3 828 B9R1.34 Cc1cc(cc(c1)Cl)Cl MB00382 [1,1,0,0,0,0|1,0,0]=3 829 B9R1.34 Cc1cc(cc(c1)Cl)F AB13848 [1,1,0,0,0,0|1,0,0]=3 830 B9R1.34 Cc1cc(cc(c1)Cl)O MB05590 [1,1,0,0,0,0|1,0,0]=3 831 B9R1.34 Cc1cc(cc(c1)I)O MB11871 [1,1,0,0,0,0|1,0,0]=3 832 B9R1.34 Cc1cc(cc(c1)O)N MB00602 [1,1,0,0,0,0|1,0,0]=3 833 B9R1.34 Cc1cc(cc(n1)Br)Cl AB70506 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.34 Cc1cc(cc(n1)Br)F AB71085 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.34 Cc1cc(cc(n1)Br)N AB65433 [1,1,0,0,0,0|2,0,0]=4 836 B9R1.34 Cc1cc(cc(n1)C)Br AB06743 [1,1,0,0,0,0|1,0,0]=3 837 B9R1.34 Cc1cc(cc(n1)C)Cl AB09599 [1,1,0,0,0,0|1,0,0]=3 838 B9R1.34 Cc1cc(cc(n1)C)N AB03678 [1,1,0,0,0,0|1,0,0]=3 839 B9R1.34 Cc1cc(cc(n1)C)O AB07775 [1,1,0,0,0,0|1,0,0]=3 840 B9R1.34 Cc1cc(cc(n1)Cl)Cl AB46092 [1,1,0,0,0,0|2,0,0]=4 841 B9R1.34 Cc1cc(cc(n1)Cl)N AB05304 [1,1,0,0,0,0|2,0,0]=4 842 B9R1.34 Cc1cc(cc(n1)F)Br AB71093 [1,1,0,0,0,0|2,0,0]=4 843 B9R1.34 Cc1cc(cc(n1)N)Cl AB07298 [1,1,0,0,0,0|2,0,0]=4 844 B9R1.34 Cc1cc(cc(n1)N)F AB70902 [1,1,0,0,0,0|2,0,0]=4 845 B9R1.34 Cc1cc(cc(n1)O)Cl AB71203 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.34 Cc1cc(cc(n1)O)F AB71321 [1,1,0,0,0,0|2,0,0]=4 847 B9R1.34 Cc1cc(cc(n1)O)O AB10075 [1,1,0,0,0,0|2,0,0]=4 848 B9R1.34 Cc1cc(nc(c1)Br)C AB03103 [1,1,0,0,0,0|1,0,0]=3 849 B9R1.34 Cc1cc(nc(c1)Br)Cl AB53549 [1,1,0,0,0,0|2,0,0]=4 850 B9R1.34 Cc1cc(nc(c1)Br)F AB53551 [1,1,0,0,0,0|2,0,0]=4 851 B9R1.34 Cc1cc(nc(c1)Cl)Cl PB31372 [1,1,0,0,0,0|2,0,0]=4 852 B9R1.34 Cc1cc(nc(c1)Cl)N AB53542 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.34 Cc1cc(nc(c1)Cl)O AB71189 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.34 Cc1cc(nc(c1)F)N AB83076 [1,1,0,0,0,0|2,0,0]=4 855 B9R1.34 Cc1cc(nc(c1)F)O AB71308 [1,1,0,0,0,0|2,0,0]=4 856 B9R1.34 Cc1cc(nc(c1)N)C AB00706 [1,1,0,0,0,0|1,0,0]=3 857 B9R1.34 Cc1cc(nc(c1)O)C AB07368 [1,1,0,0,0,0|1,0,0]=3 858 B9R1.34 Cc1cc(nc(n1)C)Cl AB05193 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.34 Cc1cc(nc(n1)C)O AB00587 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.34 Cc1cc(nc(n1)Cl)C AB01348 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.34 c1c(cc(cc1Br)I)Cl AB42475 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.34 c1c(cc(cc1Br)I)O MB11855 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.34 c1c(cc(cc1Cl)Br)N AB29734 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.34 c1c(cc(cc1Cl)Br)O AB42547 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.34 c1c(cc(cc1Cl)I)O MB11857 [1,1,0,0,0,0|2,0,0]=4 866 B9R1.34 c1c(cc(cc1F)I)O MB26711 [1,1,0,0,0,0|2,0,0]=4 867 B9R1.34 c1c(cc(cc1I)I)O MB11867 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.34 c1c(cc(cc1O)Br)N MB25497 [1,1,0,0,0,0|2,0,0]=4 869 B9R1.34 c1c(cc(cc1O)F)N MB11825 [1,1,0,0,0,0|2,0,0]=4 870 B9R1.34 c1c(cc(cc1O)I)N MB34300 [1,1,0,0,0,0|2,0,0]=4 871 B9R1.69 Cc1c(ccc(n1)Br)Cl AB63580 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.69 Cc1c(ccc(n1)Br)F AB13446 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.69 Cc1c(ccc(n1)Br)N PB20014 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.69 Cc1c(ccc(n1)Cl)Br AB41208 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.69 Cc1c(ccc(n1)Cl)N PB20018 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.69 Cc1c(ccc(n1)F)Br AB13479 [1,1,0,0,0,0|2,0,0]=4 877 B9R1.69 Cc1c(ccc(n1)I)Br MB09866 [1,1,0,0,0,0|2,0,0]=4 878 B9R1.69 Cc1c(ccc(n1)N)Br AB02783 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.69 Cc1c(ccc(n1)N)Cl AB50593 [1,1,0,0,0,0|2,0,0]=4 880 B9R1.69 Cc1c(ccc(n1)N)F AB53307 [1,1,0,0,0,0|2,0,0]=4 881 B9R1.69 Cc1c(ccc(n1)N)I AB20800 [1,1,0,0,0,0|2,0,0]=4 882 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [1,1,0,0,0,0|2,0,0]=4 883 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [1,1,0,0,0,0|2,0,0]=4 884 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [1,1,0,0,0,0|2,0,0]=4 885 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [1,1,0,0,0,0|2,0,0]=4 886 B9R1.69 Cc1c(cnc(n1)C)Br AB70482 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.69 Cc1cc(c(cn1)Br)Cl PB25215 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.69 Cc1cc(c(cn1)Br)F AB74992 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.69 Cc1cc(c(cn1)Br)N PB10415 [1,1,0,0,0,0|2,0,0]=4 890 B9R1.69 Cc1cc(c(cn1)C)Br AB05202 [1,1,0,0,0,0|2,0,0]=4 891 B9R1.69 Cc1cc(c(cn1)C)N AB05308 [1,1,0,0,0,0|2,0,0]=4 892 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.69 Cc1cc(c(cn1)Cl)Br AB71664 [1,1,0,0,0,0|2,0,0]=4 894 B9R1.69 Cc1cc(c(cn1)Cl)I AB71748 [1,1,0,0,0,0|2,0,0]=4 895 B9R1.69 Cc1cc(c(cn1)Cl)N AB40682 [1,1,0,0,0,0|2,0,0]=4 896 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [1,1,0,0,0,0|2,0,0]=4 897 B9R1.69 Cc1cc(c(cn1)F)Br AB74121 [1,1,0,0,0,0|2,0,0]=4 898 B9R1.69 Cc1cc(c(cn1)F)N AB70850 [1,1,0,0,0,0|2,0,0]=4 899 B9R1.69 Cc1cc(c(cn1)N)Br AB68541 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.69 Cc1cc(c(cn1)N)Cl AB64291 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.69 Cc1cc(c(cn1)N)F AB73537 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.69 Cc1cc(c(cn1)N)N AB51224 [1,1,0,0,0,0|2,0,0]=4 903 B9R1.69 Cc1cc(c(cn1)O)Cl AB75747 [1,1,0,0,0,0|2,0,0]=4 904 B9R1.69 Cc1cc(c(cn1)O)F AB74750 [1,1,0,0,0,0|2,0,0]=4 905 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [1,1,0,0,0,0|1,0,0]=3 906 B9R1.69 Cc1cc(c(nc1)Br)Cl AB53543 [1,1,0,0,0,0|2,0,0]=4 907 B9R1.69 Cc1cc(c(nc1)Br)F AB55034 [1,1,0,0,0,0|2,0,0]=4 908 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [1,1,0,0,0,0|2,0,0]=4 909 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [1,1,0,0,0,0|2,0,0]=4 910 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [1,1,0,0,0,0|2,0,0]=4 911 B9R1.69 Cc1cc(c(nc1)Cl)Br AB09970 [1,1,0,0,0,0|2,0,0]=4 912 B9R1.69 Cc1cc(c(nc1)Cl)N AB15085 [1,1,0,0,0,0|2,0,0]=4 913 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [1,1,0,0,0,0|2,0,0]=4 914 B9R1.69 Cc1cc(c(nc1)F)Br AB13665 [1,1,0,0,0,0|2,0,0]=4 915 B9R1.69 Cc1cc(c(nc1)F)N AB66726 [1,1,0,0,0,0|2,0,0]=4 916 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [1,1,0,0,0,0|2,0,0]=4 917 B9R1.69 Cc1cc(c(nc1)N)Br AB02784 [1,1,0,0,0,0|2,0,0]=4 918 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [1,1,0,0,0,0|1,0,0]=3 919 B9R1.69 Cc1cc(c(nc1)N)Cl AB32106 [1,1,0,0,0,0|2,0,0]=4 920 B9R1.69 Cc1cc(c(nc1)N)F AB66724 [1,1,0,0,0,0|2,0,0]=4 921 B9R1.69 Cc1cc(c(nc1)N)N AB16874 [1,1,0,0,0,0|2,0,0]=4 922 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [1,1,0,0,0,0|2,0,0]=4 923 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [1,1,0,0,0,0|1,0,0]=3 924 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [1,1,0,0,0,0|2,0,0]=4 925 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [1,1,0,0,0,0|2,0,0]=4 926 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [1,1,0,0,0,0|2,0,0]=4 927 B9R1.69 Cc1cc(cc[n+]1[O-])Br AB70404 [1,1,0,0,0,0|2,0,0]=4 928 B9R1.69 Cc1cc(ccc1I)O MB06793 [1,1,0,0,0,0|1,0,0]=3 929 B9R1.69 Cc1cc(cnc1Br)Br AB10779 [1,1,0,0,0,0|2,0,0]=4 930 B9R1.69 Cc1cc(cnc1Br)Cl AB13444 [1,1,0,0,0,0|2,0,0]=4 931 B9R1.69 Cc1cc(cnc1Br)F AB53312 [1,1,0,0,0,0|2,0,0]=4 932 B9R1.69 Cc1cc(cnc1Br)N AB13464 [1,1,0,0,0,0|2,0,0]=4 933 B9R1.69 Cc1cc(cnc1Br)O AB53545 [1,1,0,0,0,0|2,0,0]=4 934 B9R1.69 Cc1cc(cnc1C)Br AB64498 [1,1,0,0,0,0|2,0,0]=4 935 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [1,1,0,0,0,0|2,0,0]=4 936 B9R1.69 Cc1cc(cnc1C)N AB42833 [1,1,0,0,0,0|2,0,0]=4 937 B9R1.69 Cc1cc(cnc1C)O AB65534 [1,1,0,0,0,0|2,0,0]=4 938 B9R1.69 Cc1cc(cnc1Cl)Cl AB16614 [1,1,0,0,0,0|2,0,0]=4 939 B9R1.69 Cc1cc(cnc1Cl)F AB21234 [1,1,0,0,0,0|2,0,0]=4 940 B9R1.69 Cc1cc(cnc1Cl)I CB11216 [1,1,0,0,0,0|2,0,0]=4 941 B9R1.69 Cc1cc(cnc1Cl)N AB13470 [1,1,0,0,0,0|2,0,0]=4 942 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [1,1,0,0,0,0|2,0,0]=4 943 B9R1.69 Cc1cc(cnc1F)Br AB13475 [1,1,0,0,0,0|2,0,0]=4 944 B9R1.69 Cc1cc(cnc1F)Cl AB13483 [1,1,0,0,0,0|2,0,0]=4 945 B9R1.69 Cc1cc(cnc1F)N AB13474 [1,1,0,0,0,0|2,0,0]=4 946 B9R1.69 Cc1cc(cnc1F)O AB53562 [1,1,0,0,0,0|2,0,0]=4 947 B9R1.69 Cc1cc(cnc1I)Br AB42361 [1,1,0,0,0,0|2,0,0]=4 948 B9R1.69 Cc1cc(cnc1I)Cl AB75751 [1,1,0,0,0,0|2,0,0]=4 949 B9R1.69 Cc1cc(cnc1N)Br AB02787 [1,1,0,0,0,0|2,0,0]=4 950 B9R1.69 Cc1cc(cnc1N)Cl AB03635 [1,1,0,0,0,0|2,0,0]=4 951 B9R1.69 Cc1cc(cnc1N)F AB41238 [1,1,0,0,0,0|2,0,0]=4 952 B9R1.69 Cc1cc(cnc1N)I AB10923 [1,1,0,0,0,0|2,0,0]=4 953 B9R1.69 Cc1cc(cnc1O)Br AB15087 [1,1,0,0,0,0|2,0,0]=4 954 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [1,1,0,0,0,0|2,0,0]=4 955 B9R1.69 Cc1cc(cnc1O)F AB82901 [1,1,0,0,0,0|2,0,0]=4 956 B9R1.69 Cc1cc(cnc1O)I CB10781 [1,1,0,0,0,0|2,0,0]=4 957 B9R1.69 Cc1cc(cnc1O)N AB41215 [1,1,0,0,0,0|2,0,0]=4 958 B9R1.69 Cc1cc(ncc1Br)Br AB05276 [1,1,0,0,0,0|2,0,0]=4 959 B9R1.69 Cc1cc(ncc1Br)C AB53714 [1,1,0,0,0,0|1,0,0]=3 960 B9R1.69 Cc1cc(ncc1Br)Cl AB15095 [1,1,0,0,0,0|2,0,0]=4 961 B9R1.69 Cc1cc(ncc1Br)F AB53532 [1,1,0,0,0,0|2,0,0]=4 962 B9R1.69 Cc1cc(ncc1Br)I AB52611 [1,1,0,0,0,0|2,0,0]=4 963 B9R1.69 Cc1cc(ncc1Br)N AB15088 [1,1,0,0,0,0|2,0,0]=4 964 B9R1.69 Cc1cc(ncc1Br)O AB15096 [1,1,0,0,0,0|2,0,0]=4 965 B9R1.69 Cc1cc(ncc1C)Br AB64948 [1,1,0,0,0,0|2,0,0]=4 966 B9R1.69 Cc1cc(ncc1C)N AB49139 [1,1,0,0,0,0|2,0,0]=4 967 B9R1.69 Cc1cc(ncc1C)O AB71287 [1,1,0,0,0,0|2,0,0]=4 968 B9R1.69 Cc1cc(ncc1Cl)Br AB64601 [1,1,0,0,0,0|2,0,0]=4 969 B9R1.69 Cc1cc(ncc1Cl)Cl AB41172 [1,1,0,0,0,0|2,0,0]=4 970 B9R1.69 Cc1cc(ncc1Cl)N AB24850 [1,1,0,0,0,0|2,0,0]=4 971 B9R1.69 Cc1cc(ncc1Cl)O AB41155 [1,1,0,0,0,0|2,0,0]=4 972 B9R1.69 Cc1cc(ncc1F)Br AB44912 [1,1,0,0,0,0|2,0,0]=4 973 B9R1.69 Cc1cc(ncc1I)N AB25384 [1,1,0,0,0,0|2,0,0]=4 974 B9R1.69 Cc1cc(ncc1N)Br PB25040 [1,1,0,0,0,0|2,0,0]=4 975 B9R1.69 Cc1cc(ncc1N)C AB41994 [1,1,0,0,0,0|1,0,0]=3 976 B9R1.69 Cc1cc(ncc1N)F AB53863 [1,1,0,0,0,0|2,0,0]=4 977 B9R1.69 Cc1cc(ncc1O)C AB44457 [1,1,0,0,0,0|1,0,0]=3 978 B9R1.69 Cc1cc(ncc1O)Cl AB71184 [1,1,0,0,0,0|2,0,0]=4 979 B9R1.69 Cc1cc(ncc1O)F AB71303 [1,1,0,0,0,0|2,0,0]=4 980 B9R1.69 Cc1cc(nnc1Cl)C PB31877 [1,1,0,0,0,0|2,0,0]=4 981 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [1,1,0,0,0,0|1,0,0]=3 982 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [1,1,0,0,0,0|1,0,0]=3 983 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [1,1,0,0,0,0|1,0,0]=3 984 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [1,1,0,0,0,0|1,0,0]=3 985 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [1,1,0,0,0,0|1,0,0]=3 986 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [1,1,0,0,0,0|1,0,0]=3 987 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [1,1,0,0,0,0|1,0,0]=3 988 B9R1.69 Cc1ccc(c(n1)Br)N AB13459 [1,1,0,0,0,0|2,0,0]=4 989 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [1,1,0,0,0,0|2,0,0]=4 990 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [1,1,0,0,0,0|1,0,0]=3 991 B9R1.69 Cc1ccc(c(n1)Cl)Br AB13590 [1,1,0,0,0,0|2,0,0]=4 992 B9R1.69 Cc1ccc(c(n1)Cl)N AB13580 [1,1,0,0,0,0|2,0,0]=4 993 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [1,1,0,0,0,0|2,0,0]=4 994 B9R1.69 Cc1ccc(c(n1)F)N AB13597 [1,1,0,0,0,0|2,0,0]=4 995 B9R1.69 Cc1ccc(c(n1)N)Br AB13584 [1,1,0,0,0,0|2,0,0]=4 996 B9R1.69 Cc1ccc(c(n1)N)Cl AB41203 [1,1,0,0,0,0|2,0,0]=4 997 B9R1.69 Cc1ccc(c(n1)N)N AB15083 [1,1,0,0,0,0|2,0,0]=4 998 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [1,1,0,0,0,0|2,0,0]=4 999 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [1,1,0,0,0,0|2,0,0]=4 1000 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [1,1,0,0,0,0|2,0,0]=4 1001 B9R1.69 Cc1ccc(cc1I)O MB07177 [1,1,0,0,0,0|2,0,0]=4 1002 B9R1.69 Cc1ccc(cc1O)Br MB05210 [1,1,0,0,0,0|2,0,0]=4 1003 B9R1.69 Cc1ccc(cc1O)I MB12091 [1,1,0,0,0,0|2,0,0]=4 1004 B9R1.69 Cc1ccc(nc1Br)C AB65454 [1,1,0,0,0,0|2,0,0]=4 1005 B9R1.69 Cc1ccc(nc1C)Br AB64947 [1,1,0,0,0,0|2,0,0]=4 1006 B9R1.69 Cc1ccc(nc1C)N AB23050 [1,1,0,0,0,0|2,0,0]=4 1007 B9R1.69 Cc1ccc(nc1C)O AB54521 [1,1,0,0,0,0|2,0,0]=4 1008 B9R1.69 Cc1ccc(nc1N)C AB25382 [1,1,0,0,0,0|2,0,0]=4 1009 B9R1.69 Cc1ccc(nc1O)C AB71286 [1,1,0,0,0,0|2,0,0]=4 1010 B9R1.69 Cc1cnc(c(n1)C)Br AB73101 [1,1,0,0,0,0|2,0,0]=4 1011 B9R1.69 Cc1cnc(c(n1)C)Cl AB03542 [1,1,0,0,0,0|2,0,0]=4 1012 B9R1.69 Cc1cnc(c(n1)C)N AB03436 [1,1,0,0,0,0|2,0,0]=4 1013 B9R1.69 Cn1cc(ccc1=O)Br PB32830 [1,1,0,0,0,0|2,0,0]=4 1014 B9R1.69 Cn1cc(ccc1=O)N PB19693 [1,1,0,0,0,0|2,0,0]=4 1015 B9R1.69 Cn1ccc(=O)c(c1)I MB19762 [1,1,0,0,0,0|2,0,0]=4 1016 B9R1.69 c1cc(c(cc1Br)Br)I AB51495 [1,1,0,0,0,0|2,0,0]=4 1017 B9R1.69 c1cc(c(cc1Br)Cl)O AB00210 [1,1,0,0,0,0|2,0,0]=4 1018 B9R1.69 c1cc(c(cc1Br)I)N AB10839 [1,1,0,0,0,0|2,0,0]=4 1019 B9R1.69 c1cc(c(cc1Br)I)O MB06781 [1,1,0,0,0,0|2,0,0]=4 1020 B9R1.69 c1cc(c(cc1Br)N)I AB51497 [1,1,0,0,0,0|2,0,0]=4 1021 B9R1.69 c1cc(c(cc1Br)N)N AB11949 [1,1,0,0,0,0|2,0,0]=4 1022 B9R1.69 c1cc(c(cc1Br)N)O MB01067 [1,1,0,0,0,0|2,0,0]=4 1023 B9R1.69 c1cc(c(cc1Br)N)S AB54823 [1,1,0,0,0,0|2,0,0]=4 1024 B9R1.69 c1cc(c(cc1Br)O)I MB25447 [1,1,0,0,0,0|2,0,0]=4 1025 B9R1.69 c1cc(c(cc1Br)O)N AB13424 [1,1,0,0,0,0|2,0,0]=4 1026 B9R1.69 c1cc(c(cc1Br)S)N AB07437 [1,1,0,0,0,0|2,0,0]=4 1027 B9R1.69 c1cc(c(cc1Cl)I)N PB21792 [1,1,0,0,0,0|2,0,0]=4 1028 B9R1.69 c1cc(c(cc1Cl)I)O MB05977 [1,1,0,0,0,0|2,0,0]=4 1029 B9R1.69 c1cc(c(cc1Cl)N)I AB28269 [1,1,0,0,0,0|2,0,0]=4 1030 B9R1.69 c1cc(c(cc1Cl)O)F MB03336 [1,1,0,0,0,0|2,0,0]=4 1031 B9R1.69 c1cc(c(cc1Cl)O)I MB07629 [1,1,0,0,0,0|2,0,0]=4 1032 B9R1.69 c1cc(c(cc1Cl)S)N AB13353 [1,1,0,0,0,0|2,0,0]=4 1033 B9R1.69 c1cc(c(cc1F)F)I MB00398 [1,1,0,0,0,0|2,0,0]=4 1034 B9R1.69 c1cc(c(cc1F)I)N AB01932 [1,1,0,0,0,0|2,0,0]=4 1035 B9R1.69 c1cc(c(cc1F)I)O MB14767 [1,1,0,0,0,0|2,0,0]=4 1036 B9R1.69 c1cc(c(cc1F)N)N AB01910 [1,1,0,0,0,0|2,0,0]=4 1037 B9R1.69 c1cc(c(cc1F)N)S AB54821 [1,1,0,0,0,0|2,0,0]=4 1038 B9R1.69 c1cc(c(cc1F)O)I MB25431 [1,1,0,0,0,0|2,0,0]=4 1039 B9R1.69 c1cc(c(cc1F)S)N AB54817 [1,1,0,0,0,0|2,0,0]=4 1040 B9R1.69 c1cc(c(cc1I)Br)O MB10373 [1,1,0,0,0,0|2,0,0]=4 1041 B9R1.69 c1cc(c(cc1I)Cl)O MB09341 [1,1,0,0,0,0|2,0,0]=4 1042 B9R1.69 c1cc(c(cc1I)F)O MB09308 [1,1,0,0,0,0|2,0,0]=4 1043 B9R1.69 c1cc(c(cc1I)I)O MB01999 [1,1,0,0,0,0|2,0,0]=4 1044 B9R1.69 c1cc(c(cc1I)N)Cl AB64100 [1,1,0,0,0,0|2,0,0]=4 1045 B9R1.69 c1cc(c(cc1I)N)O MB14432 [1,1,0,0,0,0|2,0,0]=4 1046 B9R1.69 c1cc(c(cc1I)O)Br MB08154 [1,1,0,0,0,0|2,0,0]=4 1047 B9R1.69 c1cc(c(cc1I)O)F MB14983 [1,1,0,0,0,0|2,0,0]=4 1048 B9R1.69 c1cc(c(cc1I)O)I MB07529 [1,1,0,0,0,0|2,0,0]=4 1049 B9R1.69 c1cc(c(cc1I)O)N MB14436 [1,1,0,0,0,0|2,0,0]=4 1050 B9R1.69 c1cc(c(cc1N)Cl)I AB02146 [1,1,0,0,0,0|2,0,0]=4 1051 B9R1.69 c1cc(c(cc1N)F)Cl AB08243 [1,1,0,0,0,0|2,0,0]=4 1052 B9R1.69 c1cc(c(cc1N)F)I AB42340 [1,1,0,0,0,0|2,0,0]=4 1053 B9R1.69 c1cc(c(cc1N)F)N MB08293 [1,1,0,0,0,0|2,0,0]=4 1054 B9R1.69 c1cc(c(cc1N)I)Cl MB09944 [1,1,0,0,0,0|2,0,0]=4 1055 B9R1.69 c1cc(c(cc1N)O)Br MB08323 [1,1,0,0,0,0|2,0,0]=4 1056 B9R1.69 c1cc(c(cc1N)O)F MB13362 [1,1,0,0,0,0|2,0,0]=4 1057 B9R1.69 c1cc(c(cc1N)O)I MB37209 [1,1,0,0,0,0|2,0,0]=4 1058 B9R1.69 c1cc(c(cc1O)Br)Br MB00539 [1,1,0,0,0,0|2,0,0]=4 1059 B9R1.69 c1cc(c(cc1O)Br)Cl MB00535 [1,1,0,0,0,0|2,0,0]=4 1060 B9R1.69 c1cc(c(cc1O)Br)I MB26105 [1,1,0,0,0,0|2,0,0]=4 1061 B9R1.69 c1cc(c(cc1O)Br)N MB08329 [1,1,0,0,0,0|2,0,0]=4 1062 B9R1.69 c1cc(c(cc1O)Cl)I MB25466 [1,1,0,0,0,0|2,0,0]=4 1063 B9R1.69 c1cc(c(cc1O)Cl)N MB01478 [1,1,0,0,0,0|2,0,0]=4 1064 B9R1.69 c1cc(c(cc1O)F)I MB11930 [1,1,0,0,0,0|2,0,0]=4 1065 B9R1.69 c1cc(c(cc1O)F)N AB09438 [1,1,0,0,0,0|2,0,0]=4 1066 B9R1.69 c1cc(c(cc1O)I)Br MB00538 [1,1,0,0,0,0|2,0,0]=4 1067 B9R1.69 c1cc(c(cc1O)I)F MB25606 [1,1,0,0,0,0|2,0,0]=4 1068 B9R1.69 c1cc(c(cc1O)I)I MB25449 [1,1,0,0,0,0|2,0,0]=4 1069 B9R1.69 c1cc(c(cc1O)I)N MB25412 [1,1,0,0,0,0|2,0,0]=4 1070 B9R1.69 c1cc(c(cc1O)N)Br MB07114 [1,1,0,0,0,0|2,0,0]=4 1071 B9R1.69 c1cc(c(cc1O)N)I MB13452 [1,1,0,0,0,0|2,0,0]=4 1072 B9R1.69 c1cc(c(cc1O)N)N MB04238 [1,1,0,0,0,0|2,0,0]=4 1073 B9R1.15 C#Cc1ccccc1Br AB10375 [1,1,0,0,0,0|1,0,1]=4 1074 B9R1.15 C#Cc1cccnc1O AB69073 [1,1,0,0,0,0|1,0,1]=4 1075 B9R1.15 CCc1c(cccn1)Br AB68544 [1,1,0,0,0,0|2,0,0]=4 1076 B9R1.15 CCc1c(cccn1)O MB01433 [1,1,0,0,0,0|1,0,0]=3 1077 B9R1.15 CCc1ccncc1O MB12325 [1,1,0,0,0,0|1,0,0]=3 1078 B9R1.15 CCc1cnccc1Br PB37149 [1,1,0,0,0,0|2,0,0]=4 1079 B9R1.15 CCc1cnccc1O MB24095 [1,1,0,0,0,0|1,0,0]=3 1080 B9R1.15 CNc1cccnc1Br AB39252 [1,1,0,0,0,0|2,0,0]=4 1081 B9R1.15 CNc1ccncc1O MB27525 [1,1,0,0,0,0|1,0,0]=3 1082 B9R1.15 CNc1cnccc1O MB29366 [1,1,0,0,0,0|1,0,0]=3 1083 B9R1.15 COc1c(cccn1)Br PB20024 [1,1,0,0,0,0|2,0,0]=4 1084 B9R1.15 COc1c(cccn1)Cl AB13603 [1,1,0,0,0,0|2,0,0]=4 1085 B9R1.15 COc1c(cccn1)F AB13397 [1,1,0,0,0,0|2,0,0]=4 1086 B9R1.15 COc1c(cccn1)I AB13400 [1,1,0,0,0,0|2,0,0]=4 1087 B9R1.15 COc1c(cccn1)N AB07386 [1,1,0,0,0,0|2,0,0]=4 1088 B9R1.15 COc1c(cccn1)O AB06074 [1,1,0,0,0,0|1,0,0]=3 1089 B9R1.15 COc1cccnc1Br PB29151 [1,1,0,0,0,0|2,0,0]=4 1090 B9R1.15 COc1cccnc1Cl AB14749 [1,1,0,0,0,0|2,0,0]=4 1091 B9R1.15 COc1cccnc1I AB05182 [1,1,0,0,0,0|2,0,0]=4 1092 B9R1.15 COc1cccnc1N AB40614 [1,1,0,0,0,0|2,0,0]=4 1093 B9R1.15 COc1cccnc1O AB43293 [1,1,0,0,0,0|1,0,0]=3 1094 B9R1.15 COc1ccncc1Br AB22230 [1,1,0,0,0,0|2,0,0]=4 1095 B9R1.15 COc1ccncc1Cl AB51203 [1,1,0,0,0,0|2,0,0]=4 1096 B9R1.15 COc1ccncc1F AB66775 [1,1,0,0,0,0|2,0,0]=4 1097 B9R1.15 COc1ccncc1I AB09106 [1,1,0,0,0,0|2,0,0]=4 1098 B9R1.15 COc1ccncc1N AB40817 [1,1,0,0,0,0|2,0,0]=4 1099 B9R1.15 COc1ccncc1O MB09117 [1,1,0,0,0,0|1,0,0]=3 1100 B9R1.15 COc1cnccc1Br AB43705 [1,1,0,0,0,0|2,0,0]=4 1101 B9R1.15 COc1cnccc1Br MB09674 [1,1,0,0,0,0|2,0,0]=4 1102 B9R1.15 COc1cnccc1Cl AB66368 [1,1,0,0,0,0|2,0,0]=4 1103 B9R1.15 COc1cnccc1F AB66590 [1,1,0,0,0,0|2,0,0]=4 1104 B9R1.15 COc1cnccc1N AB55709 [1,1,0,0,0,0|2,0,0]=4 1105 B9R1.15 COc1cnccc1O MB25455 [1,1,0,0,0,0|1,0,0]=3 1106 B9R1.15 CSc1c(cccn1)O MB01598 [1,1,0,0,0,0|1,0,0]=3 1107 B9R1.15 CSc1cccnc1Br MB13966 [1,1,0,0,0,0|2,0,0]=4 1108 B9R1.15 CSc1ccncc1O MB25632 [1,1,0,0,0,0|1,0,0]=3 1109 B9R1.15 CSc1cnccc1O MB31499 [1,1,0,0,0,0|1,0,0]=3 1110 B9R1.15 Cc1c(cccn1)C#C AB66573 [1,1,0,0,0,0|2,0,0]=4 1111 B9R1.15 Cc1c(cccn1)C#N PB23449 [1,1,0,0,0,0|2,0,0]=4 1112 B9R1.15 Cc1c(cccn1)C=O PB27878 [1,1,0,0,0,0|1,0,1]=4 1113 B9R1.15 Cc1c(cccn1)CBr PB19196 [1,1,0,0,0,0|2,0,0]=4 1114 B9R1.15 Cc1c(cccn1)CCl AB51469 [1,1,0,0,0,0|2,0,0]=4 1115 B9R1.15 Cc1c(cccn1)CCl PB28159 [1,1,0,0,0,0|2,0,0]=4 1116 B9R1.15 Cc1c(cccn1)CN AB14093 [1,1,0,0,0,0|2,0,0]=4 1117 B9R1.15 Cc1c(cccn1)CO AB01512 [1,1,0,0,0,0|1,0,0]=3 1118 B9R1.15 Cc1c(cccn1)OC AB03569 [1,1,0,0,0,0|1,0,0]=3 1119 B9R1.15 Cc1c(nccn1)CO PB22269 [1,1,0,0,0,0|2,0,0]=4 1120 B9R1.15 Cc1cccnc1C=O PB14292 [1,1,0,0,0,0|1,0,1]=4 1121 B9R1.15 Cc1cccnc1CCl PB32645 [1,1,0,0,0,0|2,0,0]=4 1122 B9R1.15 Cc1cccnc1CN AB20671 [1,1,0,0,0,0|2,0,0]=4 1123 B9R1.15 Cc1cccnc1CO AB12590 [1,1,0,0,0,0|1,0,0]=3 1124 B9R1.15 Cc1cccnc1OC AB31414 [1,1,0,0,0,0|1,0,0]=3 1125 B9R1.15 Cc1ccncc1C#C AB66569 [1,1,0,0,0,0|2,0,0]=4 1126 B9R1.15 Cc1ccncc1C#N PB24636 [1,1,0,0,0,0|2,0,0]=4 1127 B9R1.15 Cc1ccncc1C=O PB23498 [1,1,0,0,0,0|1,0,1]=4 1128 B9R1.15 Cc1ccncc1CCl PB22427 [1,1,0,0,0,0|2,0,0]=4 1129 B9R1.15 Cc1ccncc1CN PB14440 [1,1,0,0,0,0|2,0,0]=4 1130 B9R1.15 Cc1ccncc1CO PB21746 [1,1,0,0,0,0|1,0,0]=3 1131 B9R1.15 Cc1cnccc1C#C AB66570 [1,1,0,0,0,0|2,0,0]=4 1132 B9R1.15 Cc1cnccc1C#N PB23623 [1,1,0,0,0,0|2,0,0]=4 1133 B9R1.15 Cc1cnccc1C=O AB11481 [1,1,0,0,0,0|1,0,1]=4 1134 B9R1.15 Cc1cnccc1CCl PB24122 [1,1,0,0,0,0|2,0,0]=4 1135 B9R1.15 Cc1cnccc1CN AB17090 [1,1,0,0,0,0|2,0,0]=4 1136 B9R1.15 Cc1cnccc1CO PB32359 [1,1,0,0,0,0|1,0,0]=3 1137 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [1,1,0,0,0,0|2,0,0]=4 1138 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [1,1,0,0,0,0|2,0,0]=4 1139 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [1,1,0,0,0,0|2,0,0]=4 1140 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [1,1,0,0,0,0|2,0,0]=4 1141 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,1,0,0,0,0|1,0,1]=4 1142 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [1,1,0,0,0,0|2,0,0]=4 1143 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [1,1,0,0,0,0|2,0,0]=4 1144 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [1,1,0,0,0,0|2,0,0]=4 1145 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [1,1,0,0,0,0|2,0,0]=4 1146 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [1,1,0,0,0,0|2,0,0]=4 1147 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [1,1,0,0,0,0|2,0,0]=4 1148 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [1,1,0,0,0,0|2,0,0]=4 1149 B9R1.15 c1cc(c(nc1)CN)F AB55320 [1,1,0,0,0,0|2,0,0]=4 1150 B9R1.15 c1cc(c(nc1)CN)F PB13118 [1,1,0,0,0,0|2,0,0]=4 1151 B9R1.15 c1cc(c(nc1)CN)N AB48448 [1,1,0,0,0,0|2,0,0]=4 1152 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,1,0,0,0,0|1,0,0]=3 1153 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [1,1,0,0,0,0|2,0,0]=4 1154 B9R1.15 c1cc(c(nc1)CO)F PB22208 [1,1,0,0,0,0|2,0,0]=4 1155 B9R1.15 c1cc(c(nc1)CO)N AB31896 [1,1,0,0,0,0|2,0,0]=4 1156 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,1,0,0,0,0|1,0,0]=3 1157 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [1,1,0,0,0,0|2,0,0]=4 1158 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [1,1,0,0,0,0|2,0,0]=4 1159 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [1,1,0,0,0,0|2,0,0]=4 1160 B9R1.15 c1cc(c(nc1)F)CN AB23466 [1,1,0,0,0,0|2,0,0]=4 1161 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [1,1,0,0,0,0|2,0,0]=4 1162 B9R1.15 c1cc(c(nc1)N)CO PB32383 [1,1,0,0,0,0|2,0,0]=4 1163 B9R1.15 c1cc(c(nc1)O)C#N PB21004 [1,1,0,0,0,0|1,0,1]=4 1164 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,1,0,0,0,0|1,0,1]=4 1165 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,1,0,0,0,0|1,0,0]=3 1166 B9R1.15 c1cc[n+](c(c1)CCl)[O-] AB59958 [1,1,0,0,0,0|1,0,1]=4 1167 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,1,0,0,0,0|1,0,1]=4 1168 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,1,0,0,0,0|0,0,0]=2 1169 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,1,0,0,0,0|0,0,0]=2 1170 B9R1.15 c1cncc(c1Br)CCl AB67965 [1,1,0,0,0,0|2,0,0]=4 1171 B9R1.15 c1cncc(c1Br)CN AB67954 [1,1,0,0,0,0|2,0,0]=4 1172 B9R1.15 c1cncc(c1C#N)O MB12322 [1,1,0,0,0,0|1,0,1]=4 1173 B9R1.15 c1cncc(c1C=O)O AB08714 [1,1,0,0,0,0|1,0,1]=4 1174 B9R1.15 c1cncc(c1CCl)Br AB67648 [1,1,0,0,0,0|2,0,0]=4 1175 B9R1.15 c1cncc(c1CCl)Cl AB67608 [1,1,0,0,0,0|2,0,0]=4 1176 B9R1.15 c1cncc(c1CCl)F AB67665 [1,1,0,0,0,0|2,0,0]=4 1177 B9R1.15 c1cncc(c1CN)Br AB63141 [1,1,0,0,0,0|2,0,0]=4 1178 B9R1.15 c1cncc(c1CN)Cl AB63139 [1,1,0,0,0,0|2,0,0]=4 1179 B9R1.15 c1cncc(c1CN)F AB63136 [1,1,0,0,0,0|2,0,0]=4 1180 B9R1.15 c1cncc(c1CN)N AB49287 [1,1,0,0,0,0|2,0,0]=4 1181 B9R1.15 c1cncc(c1CN)O MB09249 [1,1,0,0,0,0|1,0,0]=3 1182 B9R1.15 c1cncc(c1CO)Br PB19192 [1,1,0,0,0,0|2,0,0]=4 1183 B9R1.15 c1cncc(c1CO)F PB29849 [1,1,0,0,0,0|2,0,0]=4 1184 B9R1.15 c1cncc(c1CO)N AB25787 [1,1,0,0,0,0|2,0,0]=4 1185 B9R1.15 c1cncc(c1Cl)CCl AB60091 [1,1,0,0,0,0|2,0,0]=4 1186 B9R1.15 c1cncc(c1Cl)CN AB49675 [1,1,0,0,0,0|2,0,0]=4 1187 B9R1.15 c1cncc(c1F)CCl AB68054 [1,1,0,0,0,0|2,0,0]=4 1188 B9R1.15 c1cncc(c1F)CN AB68023 [1,1,0,0,0,0|2,0,0]=4 1189 B9R1.15 c1cncc(c1N)CCl AB31893 [1,1,0,0,0,0|2,0,0]=4 1190 B9R1.15 c1cncc(c1N)CO PB14435 [1,1,0,0,0,0|2,0,0]=4 1191 B9R1.15 c1cncc(c1O)C#N MB01597 [1,1,0,0,0,0|1,0,1]=4 1192 B9R1.15 c1cncc(c1O)C=O AB59870 [1,1,0,0,0,0|1,0,1]=4 1193 B9R1.15 c1cncc(c1O)CN MB35531 [1,1,0,0,0,0|1,0,0]=3 1194 B9R1.37 Cc1c(c(sc1Br)C)Br MB09669 [0,1,0,0,1,0|2,0,0]=4 1195 B11R1.8 COc1cc(cc(c1F)F)Br AB09370 [0,2,0,0,0,0|2,0,0]=4 1196 B11R1.8 Cc1cc(c(c(c1)C#N)N)C AB43888 [0,2,0,0,0,0|1,0,1]=4 1197 B11R1.8 Cc1cc(c(c(c1)CN)N)C AB65802 [0,2,0,0,0,0|1,0,0]=3 1198 B11R1.8 Cc1cc(cc(c1N)OC)Br AB45704 [0,2,0,0,0,0|1,0,0]=3 1199 B11R1.8 Cc1cc(cc(c1O)OC)Br PB12607 [0,2,0,0,0,0|0,0,0]=2 1200 B11R1.8 c1c(cc(c(c1C=O)O)Br)Br CB10011 [0,2,0,0,0,0|1,0,1]=4 1201 B11R1.8 c1c(cc(c(c1C=O)O)F)Br AB16030 [0,2,0,0,0,0|1,0,1]=4 1202 B11R1.8 c1c(cc(c(c1CBr)F)F)Br AB21098 [0,2,0,0,0,0|2,0,0]=4 1203 B11R1.8 c1c(cc(c(c1CCl)F)F)Br AB21094 [0,2,0,0,0,0|2,0,0]=4 1204 B11R1.8 c1c(cc(c(c1CN)F)F)Br AB21100 [0,2,0,0,0,0|2,0,0]=4 1205 B11R1.8 c1c(cc(c(c1CO)F)F)Br AB21091 [0,2,0,0,0,0|2,0,0]=4 1206 B11R1.13 C=CCc1cccc(c1O)N MB13698 [0,2,0,0,0,0|1,0,0]=3 1207 B11R1.13 CCOc1c(c(ccn1)C)Br AB68546 [0,2,0,0,0,0|2,0,0]=4 1208 B11R1.13 Cc1c(c(ccn1)CCN)Cl AB83309 [0,2,0,0,0,0|2,0,0]=4 1209 B11R1.13 Cc1c(nccc1CCN)C AB82525 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.13 Cc1ccnc(c1C)CCN AB82520 [0,2,0,0,0,0|2,0,0]=4 1211 B11R1.13 Cc1ccnc(c1Cl)CCN AB83303 [0,2,0,0,0,0|2,0,0]=4 1212 B11R1.13 Cc1cncc(c1C)CCN AB82560 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.13 Cc1cncc(c1Cl)CCN AB83272 [0,2,0,0,0,0|2,0,0]=4 1214 B11R1.13 Cc1cncc(c1F)CCN AB82944 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.13 c1c(c(c(cn1)Cl)O)CCN AB84034 [0,2,0,0,0,0|2,0,0]=4 1216 B11R1.13 c1cnc(c(c1CCN)O)Cl AB84113 [0,2,0,0,0,0|2,0,0]=4 1217 B11R1.13 c1cnc(c(c1Cl)O)CCN AB83986 [0,2,0,0,0,0|2,0,0]=4 1218 B11R1.72 Cc1c(ncc(c1OC)Br)C MB13654 [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.72 c1cc(c(c(c1F)C=O)O)F CB11113 [0,2,0,0,0,0|1,0,1]=4 1220 B11R1.72 c1cc(c(c(c1F)CN)F)F MB01069 [0,2,0,0,0,0|2,0,0]=4 1221 B11R1.72 c1cc(c(c(c1F)F)CO)Br AB31706 [0,2,0,0,0,0|2,0,0]=4 1222 B11R1.72 c1cc(c(c(c1F)F)CO)Cl AB31704 [0,2,0,0,0,0|2,0,0]=4 1223 B11R1.72 c1cc(c(c(c1F)F)CO)I AB31708 [0,2,0,0,0,0|2,0,0]=4 1224 B11R1.72 c1cc(c(c(c1N)CO)F)F AB31701 [0,2,0,0,0,0|2,0,0]=4 1225 B11R1.72 c1cc(c(c(c1N)F)CN)F AB50264 [0,2,0,0,0,0|2,0,0]=4 1226 B11R1.159 B(c1cccc(c1C)C)(O)O AB10380 [0,2,0,0,0,0|2,0,0]=4 1227 B11R1.159 B(c1cccc(c1Cl)C)(O)O AB29563 [0,2,0,0,0,0|2,0,0]=4 1228 B11R1.159 B(c1cccc(c1F)C)(O)O AB23826 [0,2,0,0,0,0|2,0,0]=4 1229 B11R1.159 B(c1cccc(c1O)C)(O)O AB48273 [0,2,0,0,0,0|1,0,0]=3 1230 B11R1.159 B(c1cccc(c1O)Cl)(O)O AB48275 [0,2,0,0,0,0|2,0,0]=4 1231 B11R1.159 B(c1cccc(c1O)F)(O)O AB42638 [0,2,0,0,0,0|2,0,0]=4 1232 B11R1.159 CC(=O)c1c(c(ccn1)Br)O AB84339 [0,2,0,0,0,0|2,0,0]=4 1233 B11R1.159 CC(=O)c1c(c(ccn1)Cl)O AB75015 [0,2,0,0,0,0|2,0,0]=4 1234 B11R1.159 CC(=O)c1c(c(ccn1)N)O AB84343 [0,2,0,0,0,0|2,0,0]=4 1235 B11R1.159 CC(=O)c1cccc(c1F)Br PB23641 [0,2,0,0,0,0|2,0,0]=4 1236 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [0,2,0,0,0,0|2,0,0]=4 1237 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [0,2,0,0,0,0|1,0,0]=3 1238 B11R1.159 CC(=O)c1ccnc(c1O)Br AB84119 [0,2,0,0,0,0|2,0,0]=4 1239 B11R1.159 CC(=O)c1ccnc(c1O)Cl AB74852 [0,2,0,0,0,0|2,0,0]=4 1240 B11R1.159 CC(=O)c1ccnc(c1O)N AB84121 [0,2,0,0,0,0|2,0,0]=4 1241 B11R1.159 CC(=O)c1cncc(c1O)Br AB84178 [0,2,0,0,0,0|2,0,0]=4 1242 B11R1.159 CC(=O)c1cncc(c1O)Cl AB84029 [0,2,0,0,0,0|2,0,0]=4 1243 B11R1.159 CC(=O)c1cncc(c1O)N AB84182 [0,2,0,0,0,0|2,0,0]=4 1244 B11R1.159 CC(C)c1cccc(c1Br)O MB22666 [0,2,0,0,0,0|2,0,0]=4 1245 B11R1.159 CC(C)c1cccc(c1Cl)O MB22669 [0,2,0,0,0,0|2,0,0]=4 1246 B11R1.159 CC(C)c1cccc(c1F)O MB22646 [0,2,0,0,0,0|2,0,0]=4 1247 B11R1.159 CC(C)c1cccc(c1I)O MB22650 [0,2,0,0,0,0|2,0,0]=4 1248 B11R1.159 CC(C)c1cccc(c1N)O MB22652 [0,2,0,0,0,0|2,0,0]=4 1249 B11R1.159 CC(C)c1cccc(c1O)Br MB22674 [0,2,0,0,0,0|1,0,0]=3 1250 B11R1.159 CC(C)c1cccc(c1O)Cl MB22677 [0,2,0,0,0,0|1,0,0]=3 1251 B11R1.159 CC(C)c1cccc(c1O)F MB22618 [0,2,0,0,0,0|1,0,0]=3 1252 B11R1.159 CC(C)c1cccc(c1O)I MB22620 [0,2,0,0,0,0|1,0,0]=3 1253 B11R1.159 CC(C)c1cccc(c1O)N MB06197 [0,2,0,0,0,0|1,0,0]=3 1254 B11R1.159 CN(C)c1cccc(c1Br)O MB24971 [0,2,0,0,0,0|2,0,0]=4 1255 B11R1.159 CN(C)c1cccc(c1Cl)O MB24972 [0,2,0,0,0,0|2,0,0]=4 1256 B11R1.159 CN(C)c1cccc(c1F)O MB24959 [0,2,0,0,0,0|2,0,0]=4 1257 B11R1.159 CN(C)c1cccc(c1I)O MB24960 [0,2,0,0,0,0|2,0,0]=4 1258 B11R1.159 CN(C)c1cccc(c1N)O MB24961 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.159 CN(C)c1cccc(c1O)Br MB24976 [0,2,0,0,0,0|1,0,0]=3 1260 B11R1.159 CN(C)c1cccc(c1O)Cl MB24979 [0,2,0,0,0,0|1,0,0]=3 1261 B11R1.159 CN(C)c1cccc(c1O)F MB24926 [0,2,0,0,0,0|1,0,0]=3 1262 B11R1.159 CN(C)c1cccc(c1O)I MB24928 [0,2,0,0,0,0|1,0,0]=3 1263 B11R1.159 CN(C)c1cccc(c1O)N MB24934 [0,2,0,0,0,0|1,0,0]=3 1264 B11R1.159 Cc1c(c(ccn1)C(=O)C)Br AB41128 [0,2,0,0,0,0|2,0,0]=4 1265 B11R1.159 Cc1c(c(ccn1)C(=O)C)Cl AB83308 [0,2,0,0,0,0|2,0,0]=4 1266 B11R1.159 Cc1c(c(ccn1)C(=O)C)N AB41124 [0,2,0,0,0,0|2,0,0]=4 1267 B11R1.159 Cc1c(c(ccn1)C(=O)C)O AB75262 [0,2,0,0,0,0|1,0,0]=3 1268 B11R1.159 Cc1c(cccc1O)C(C)C MB22624 [0,2,0,0,0,0|2,0,0]=4 1269 B11R1.159 Cc1c(cccc1O)N(C)C MB33870 [0,2,0,0,0,0|2,0,0]=4 1270 B11R1.159 Cc1c(nccc1C(=O)C)C AB55628 [0,2,0,0,0,0|2,0,0]=4 1271 B11R1.159 Cc1cccc(c1F)[N+](=O)[O-] AB14386 [0,2,0,0,0,0|2,0,0]=4 1272 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [0,2,0,0,0,0|1,0,1]=4 1273 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [0,2,0,0,0,0|0,0,1]=3 1274 B11R1.159 Cc1cccc(c1O)C(C)C MB01563 [0,2,0,0,0,0|0,0,0]=2 1275 B11R1.159 Cc1cccc(c1O)N(C)C MB23472 [0,2,0,0,0,0|0,0,0]=2 1276 B11R1.159 Cc1ccnc(c1C)C(=O)C AB50233 [0,2,0,0,0,0|2,0,0]=4 1277 B11R1.159 Cc1ccnc(c1Cl)C(=O)C AB83298 [0,2,0,0,0,0|2,0,0]=4 1278 B11R1.159 Cc1ccnc(c1N)C(=O)C AB83869 [0,2,0,0,0,0|2,0,0]=4 1279 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [0,2,0,0,0,0|1,0,0]=3 1280 B11R1.159 Cc1cncc(c1C)C(=O)C AB75501 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.159 Cc1cncc(c1Cl)C(=O)C AB83264 [0,2,0,0,0,0|2,0,0]=4 1282 B11R1.159 Cc1cncc(c1F)C(=O)C AB75177 [0,2,0,0,0,0|2,0,0]=4 1283 B11R1.159 Cc1cncc(c1N)C(=O)C AB83808 [0,2,0,0,0,0|2,0,0]=4 1284 B11R1.159 Cc1cncc(c1O)C(=O)C AB84183 [0,2,0,0,0,0|1,0,0]=3 1285 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N MB00430 [0,2,0,0,0,0|1,0,1]=4 1286 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)N MB08413 [0,2,0,0,0,0|1,0,1]=4 1287 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N MB25617 [0,2,0,0,0,0|1,0,1]=4 1288 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [0,2,0,0,0,0|1,0,1]=4 1289 B11R1.159 c1cc(c(c(c1)I)O)C(=O)N MB33272 [0,2,0,0,0,0|1,0,1]=4 1290 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [0,2,0,0,0,0|1,0,1]=4 1291 B11R1.159 c1cc(c(c(c1)N)O)C(=O)N MB25600 [0,2,0,0,0,0|1,0,1]=4 1292 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [0,2,0,0,0,0|1,0,1]=4 1293 B11R1.159 c1cc(c(c(c1)[N+](=O)[O-])O)N AB12699 [0,2,0,0,0,0|2,0,0]=4 1294 B11R1.265 CCc1c(cccc1O)CN MB23584 [0,2,0,0,0,0|2,0,0]=4 1295 B11R1.265 CCc1c(cccc1O)NC MB23593 [0,2,0,0,0,0|2,0,0]=4 1296 B11R1.265 CCc1c(cccc1OC)O MB23601 [0,2,0,0,0,0|2,0,0]=4 1297 B11R1.265 CCc1c(cccc1SC)O MB23611 [0,2,0,0,0,0|2,0,0]=4 1298 B11R1.265 CCc1cccc(c1C#N)O MB24031 [0,2,0,0,0,0|2,0,0]=4 1299 B11R1.265 CCc1cccc(c1C=O)O MB24050 [0,2,0,0,0,0|1,0,1]=4 1300 B11R1.265 CCc1cccc(c1CC)O MB24051 [0,2,0,0,0,0|2,0,0]=4 1301 B11R1.265 CCc1cccc(c1CN)O MB24052 [0,2,0,0,0,0|2,0,0]=4 1302 B11R1.265 CCc1cccc(c1NC)O MB24062 [0,2,0,0,0,0|2,0,0]=4 1303 B11R1.265 CCc1cccc(c1OC)O MB24065 [0,2,0,0,0,0|1,0,0]=3 1304 B11R1.265 CCc1cccc(c1SC)O MB24077 [0,2,0,0,0,0|1,1,0]=4 1305 B11R1.265 CNc1c(cccc1O)CN MB30193 [0,2,0,0,0,0|2,0,0]=4 1306 B11R1.265 CNc1c(cccc1OC)O MB35055 [0,2,0,0,0,0|2,0,0]=4 1307 B11R1.265 CNc1c(cccc1SC)O MB30027 [0,2,0,0,0,0|2,0,0]=4 1308 B11R1.265 CNc1cccc(c1CN)O MB33011 [0,2,0,0,0,0|2,0,0]=4 1309 B11R1.265 CNc1cccc(c1NC)O MB36957 [0,2,0,0,0,0|2,0,0]=4 1310 B11R1.265 CNc1cccc(c1OC)O MB37522 [0,2,0,0,0,0|1,0,0]=3 1311 B11R1.265 CNc1cccc(c1SC)O MB32690 [0,2,0,0,0,0|1,1,0]=4 1312 B11R1.265 COc1c(cccc1Br)C#N CB11301 [0,2,0,0,0,0|1,0,1]=4 1313 B11R1.265 COc1c(cccc1O)C#N MB35446 [0,2,0,0,0,0|1,0,1]=4 1314 B11R1.265 COc1c(cccc1O)C=O MB03871 [0,2,0,0,0,0|1,0,1]=4 1315 B11R1.265 COc1c(cccc1O)CN MB27427 [0,2,0,0,0,0|1,0,0]=3 1316 B11R1.265 COc1cccc(c1C#N)O MB28346 [0,2,0,0,0,0|2,0,0]=4 1317 B11R1.265 COc1cccc(c1C=O)Br MB05120 [0,2,0,0,0,0|1,0,1]=4 1318 B11R1.265 COc1cccc(c1C=O)I AB18152 [0,2,0,0,0,0|1,0,1]=4 1319 B11R1.265 COc1ccnc(c1OC)Cl AB14219 [0,2,0,0,0,0|2,0,0]=4 1320 B11R1.265 CSc1c(cccc1O)CN MB33464 [0,2,0,0,0,0|1,1,0]=4 1321 B11R1.265 CSc1cccc(c1C#N)O MB31676 [0,2,0,0,0,0|2,0,0]=4 1322 B11R1.265 CSc1cccc(c1C=O)O MB27306 [0,2,0,0,0,0|1,0,1]=4 1323 B11R1.265 CSc1cccc(c1CN)O MB30038 [0,2,0,0,0,0|2,0,0]=4 1324 B11R1.265 Cc1cccc(c1C#N)OC MB08904 [0,2,0,0,0,0|1,0,0]=3 1325 B11R1.265 Cc1cccc(c1C=O)OC MB05932 [0,2,0,0,0,0|0,0,1]=3 1326 B11R1.265 c1cc(c(c(c1)O)C#N)CN MB37238 [0,2,0,0,0,0|2,0,0]=4 1327 B11R1.265 c1cc(c(c(c1)O)C=O)CN MB30151 [0,2,0,0,0,0|1,0,1]=4 1328 B11R1.265 c1cc(c(c(c1)O)CN)CN MB32658 [0,2,0,0,0,0|2,0,0]=4 1329 B11R1.267 CCc1cccc(c1O)C#N MB23994 [0,2,0,0,0,0|0,0,1]=3 1330 B11R1.267 CCc1cccc(c1O)C=O MB06560 [0,2,0,0,0,0|0,0,1]=3 1331 B11R1.267 CCc1cccc(c1O)CN MB24013 [0,2,0,0,0,0|0,0,0]=2 1332 B11R1.267 CCc1cccc(c1O)NC MB24023 [0,2,0,0,0,0|0,0,0]=2 1333 B11R1.267 CCc1cccc(c1O)OC MB24092 [0,2,0,0,0,0|0,0,0]=2 1334 B11R1.267 CCc1cccc(c1O)SC MB24093 [0,2,0,0,0,0|0,0,0]=2 1335 B11R1.267 CNc1cccc(c1O)C=O MB27331 [0,2,0,0,0,0|0,0,1]=3 1336 B11R1.267 CNc1cccc(c1O)CN MB25850 [0,2,0,0,0,0|0,0,0]=2 1337 B11R1.267 CNc1cccc(c1O)NC MB29673 [0,2,0,0,0,0|0,0,0]=2 1338 B11R1.267 CNc1cccc(c1O)OC MB37936 [0,2,0,0,0,0|0,0,0]=2 1339 B11R1.267 COc1c(c(ccn1)C=O)O AB74867 [0,2,0,0,0,0|1,0,1]=4 1340 B11R1.267 COc1c(c(ccn1)CCl)F AB71008 [0,2,0,0,0,0|2,0,0]=4 1341 B11R1.267 COc1c(c(ccn1)CN)F AB76979 [0,2,0,0,0,0|2,0,0]=4 1342 B11R1.267 COc1cccc(c1F)C=O AB14344 [0,2,0,0,0,0|1,0,1]=4 1343 B11R1.267 COc1cccc(c1I)CO AB63858 [0,2,0,0,0,0|1,0,0]=3 1344 B11R1.267 COc1cccc(c1N)C=O AB55845 [0,2,0,0,0,0|1,0,1]=4 1345 B11R1.267 COc1ccnc(c1O)C=O AB76798 [0,2,0,0,0,0|1,0,1]=4 1346 B11R1.267 COc1cncc(c1O)C=O AB74864 [0,2,0,0,0,0|1,0,1]=4 1347 B11R1.267 CSc1cccc(c1O)C#N MB28116 [0,2,0,0,0,0|0,0,1]=3 1348 B11R1.267 CSc1cccc(c1O)C=O MB33773 [0,2,0,0,0,0|0,0,1]=3 1349 B11R1.267 CSc1cccc(c1O)CN MB32890 [0,2,0,0,0,0|0,0,0]=2 1350 B11R1.267 Cc1c(ccnc1CN)OC AB40737 [0,2,0,0,0,0|2,0,0]=4 1351 B11R1.267 c1c(c(c(cn1)C=O)O)CCl AB84427 [0,2,0,0,0,0|1,0,1]=4 1352 B11R1.267 c1cc(c(c(c1)C#N)O)C#N MB37800 [0,2,0,0,0,0|0,0,2]=4 1353 B11R1.267 c1cc(c(c(c1)C#N)O)C=O MB25669 [0,2,0,0,0,0|0,0,2]=4 1354 B11R1.267 c1cc(c(c(c1)C#N)O)CN MB25760 [0,2,0,0,0,0|0,0,1]=3 1355 B11R1.267 c1cc(c(c(c1)CN)O)CN MB25533 [0,2,0,0,0,0|0,0,0]=2 1356 B11R1.267 c1cnc(c(c1CCl)O)C=O AB84610 [0,2,0,0,0,0|1,0,1]=4 1357 B11R1.278 c1cc(c(c(c1C#N)Br)O)N AB25567 [0,2,0,0,0,0|2,0,0]=4 1358 B11R1.278 c1cc(c(c(c1C=O)F)O)O MB02737 [0,2,0,0,0,0|2,0,0]=4 1359 B11R1.14 Cc1cc(cc(c1N)C)C#N PB34207 [0,2,0,0,0,0|1,0,0]=3 1360 B11R1.14 Cc1cc(cc(c1N)Cl)C#N PB18430 [0,2,0,0,0,0|2,0,0]=4 1361 B11R1.14 Cc1cc(cc(c1O)C)C#N PB30622 [0,2,0,0,0,0|0,0,0]=2 1362 B11R1.14 Cc1cc(cc(c1O)Cl)C#N PB11866 [0,2,0,0,0,0|1,0,0]=3 1363 B11R1.14 Cc1cc(nc(c1C)C)C=O AB82591 [0,2,0,0,0,0|2,0,0]=4 1364 B11R1.14 Cc1cc(nc(c1C)C)CCl AB82595 [0,2,0,0,0,0|2,0,0]=4 1365 B11R1.14 Cc1cc(nc(c1C)C)CN AB82598 [0,2,0,0,0,0|2,0,0]=4 1366 B11R1.14 c1c(cc(c(c1Cl)O)Cl)C#N PB10008 [0,2,0,0,0,0|2,0,0]=4 1367 B11R1.14 c1c(cc(c(c1O)O)Br)C=O MB00252 [0,2,0,0,0,0|2,0,0]=4 1368 B11R1.32 Cc1cc(c(c(c1C)Br)N)C AB04157 [0,2,0,0,0,0|2,0,0]=4 1369 B11R1.464 Cc1c(c(cc(n1)Cl)Cl)OC PB29876 [0,2,0,0,0,0|2,0,0]=4 1370 B11R1.464 Cc1cc(cc(c1C#N)C)Br MB01859 [0,2,0,0,0,0|1,0,0]=3 1371 B11R1.464 Cc1cc(cc(c1C=O)C)Br MB09867 [0,2,0,0,0,0|0,0,1]=3 1372 B11R1.464 Cc1cc(cc(c1CN)C)Br MB09872 [0,2,0,0,0,0|1,0,0]=3 1373 B11R1.464 Cc1cc(nc(c1C=O)C)Cl AB75372 [0,2,0,0,0,0|1,0,1]=4 1374 B11R1.464 Cc1cc(nc(c1CCl)C)Cl AB82509 [0,2,0,0,0,0|2,0,0]=4 1375 B11R1.464 Cc1cc(nc(c1CN)C)Cl AB82512 [0,2,0,0,0,0|2,0,0]=4 1376 B11R1.156 B(c1c(cccc1Br)F)(O)O AB22349 [0,2,0,0,0,0|2,0,0]=4 1377 B11R1.156 B(c1c(cccc1C)C)(O)O AB07956 [0,2,0,0,0,0|0,0,0]=2 1378 B11R1.156 B(c1c(cccc1Cl)Cl)(O)O AB02605 [0,2,0,0,0,0|2,0,0]=4 1379 B11R1.156 B(c1c(cccc1Cl)F)(O)O AB17456 [0,2,0,0,0,0|2,0,0]=4 1380 B11R1.156 B(c1c(cccc1F)F)(O)O AB07099 [0,2,0,0,0,0|2,0,0]=4 1381 B11R1.156 B(c1c(cccc1I)F)(O)O AB29801 [0,2,0,0,0,0|2,0,0]=4 1382 B11R1.156 B(c1c(ccnc1C)C)(O)O AB41956 [0,2,0,0,0,0|1,0,0]=3 1383 B11R1.156 B(c1c(ccnc1Cl)C)(O)O AB41946 [0,2,0,0,0,0|2,0,0]=4 1384 B11R1.156 B(c1c(ccnc1F)C)(O)O AB40862 [0,2,0,0,0,0|2,0,0]=4 1385 B11R1.156 B(c1c(cncc1C)C)(O)O AB75346 [0,2,0,0,0,0|1,0,0]=3 1386 B11R1.156 B(c1c(cncc1Cl)C)(O)O AB75147 [0,2,0,0,0,0|2,0,0]=4 1387 B11R1.156 B(c1c(cncc1F)C)(O)O AB32098 [0,2,0,0,0,0|2,0,0]=4 1388 B11R1.156 B(c1c(nccc1Cl)C)(O)O AB75126 [0,2,0,0,0,0|2,0,0]=4 1389 B11R1.156 B(c1c(nccc1F)C)(O)O AB83015 [0,2,0,0,0,0|2,0,0]=4 1390 B11R1.156 Cc1c(c(ccn1)Br)C(=O)O AB66865 [0,2,0,0,0,0|2,0,0]=4 1391 B11R1.156 Cc1c(c(ccn1)Cl)C(=O)O AB49266 [0,2,0,0,0,0|2,0,0]=4 1392 B11R1.156 Cc1c(c(ccn1)F)C(=O)O AB66874 [0,2,0,0,0,0|2,0,0]=4 1393 B11R1.156 Cc1c(c(ccn1)O)C(=O)O AB66885 [0,2,0,0,0,0|2,0,0]=4 1394 B11R1.156 Cc1c(c(ncn1)C)C(=O)O AB42986 [0,2,0,0,0,0|2,0,0]=4 1395 B11R1.156 Cc1cccc(c1C(=O)N)O MB23485 [0,2,0,0,0,0|1,0,1]=4 1396 B11R1.156 Cc1cccc(c1C(=O)O)O MB01720 [0,2,0,0,0,0|1,0,0]=3 1397 B11R1.156 Cc1cccc(c1C(C)C)O MB22300 [0,2,0,0,0,0|2,0,0]=4 1398 B11R1.156 Cc1cccc(c1N(C)C)O MB00361 [0,2,0,0,0,0|2,0,0]=4 1399 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Br PB23310 [0,2,0,0,0,0|1,0,1]=4 1400 B11R1.156 Cc1cccc(c1[N+](=O)[O-])F MB06236 [0,2,0,0,0,0|1,0,1]=4 1401 B11R1.156 Cc1ccnc(c1C(=O)C)C AB76229 [0,2,0,0,0,0|1,0,1]=4 1402 B11R1.156 Cc1ccnc(c1C(=O)O)Br AB67819 [0,2,0,0,0,0|2,0,0]=4 1403 B11R1.156 Cc1ccnc(c1C(=O)O)C AB13832 [0,2,0,0,0,0|1,0,0]=3 1404 B11R1.156 Cc1ccnc(c1C(=O)O)C AB21009 [0,2,0,0,0,0|1,0,0]=3 1405 B11R1.156 Cc1ccnc(c1C(=O)O)Cl AB64079 [0,2,0,0,0,0|2,0,0]=4 1406 B11R1.156 Cc1ccnc(c1C(=O)O)F AB67822 [0,2,0,0,0,0|2,0,0]=4 1407 B11R1.156 Cc1ccnc(c1C(=O)O)N AB15101 [0,2,0,0,0,0|2,0,0]=4 1408 B11R1.156 Cc1cncc(c1C(=O)C)C AB76702 [0,2,0,0,0,0|1,0,1]=4 1409 B11R1.156 Cc1cncc(c1C(=O)O)C AB55862 [0,2,0,0,0,0|1,0,0]=3 1410 B11R1.156 Cc1cncc(c1C(=O)O)Cl AB75141 [0,2,0,0,0,0|2,0,0]=4 1411 B11R1.156 Cc1cncc(c1C(=O)O)F AB74901 [0,2,0,0,0,0|2,0,0]=4 1412 B11R1.156 Cc1cncc(c1C(=O)O)N AB83392 [0,2,0,0,0,0|2,0,0]=4 1413 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl MB01394 [0,2,0,0,0,0|2,0,0]=4 1414 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F PB24723 [0,2,0,0,0,0|2,0,0]=4 1415 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)O MB13463 [0,2,0,0,0,0|2,0,0]=4 1416 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O MB08537 [0,2,0,0,0,0|2,0,0]=4 1417 B11R1.156 c1cc(c(c(c1)O)C(=O)O)N MB25644 [0,2,0,0,0,0|2,0,0]=4 1418 B11R1.605 Cc1ccnc(c1CCN)C AB82522 [0,2,0,0,0,0|2,0,0]=4 1419 B11R1.605 Cc1cncc(c1CCN)C AB76699 [0,2,0,0,0,0|2,0,0]=4 1420 B9R1.41 Cc1ccoc1C(=O)O AB01137 [0,0,1,1,0,0|2,0,0]=4 1421 B9R1.1 Cc1ccc(nc1)C=O AB31466 [0,0,1,1,0,0|2,0,0]=4 1422 B11R2.106 Cc1c2c(ccn1)CNC2 AB76710 [0,1,0,1,0,0|2,0,0]=4 1423 B11R2.106 Cc1cccc2c1CCN2 MB06155 [0,1,0,1,0,0|1,0,0]=3 1424 B11R2.106 Cc1cccc2c1CNC2 MB06843 [0,1,0,1,0,0|1,0,0]=3 1425 B11R2.106 Cc1cccc2c1NCC2 MB04566 [0,1,0,1,0,0|1,0,0]=3 1426 B11R2.106 Cc1cccc2c1occ2 MB00742 [0,1,0,1,0,0|0,0,1]=3 1427 B11R2.106 c1cc(c2c(c1)NCC2)N MB05532 [0,1,0,1,0,0|2,0,0]=4 1428 B11R2.106 c1cc(c2c(c1)OCC2)N PB21917 [0,1,0,1,0,0|2,0,0]=4 1429 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [0,1,0,1,0,0|2,0,0]=4 1430 B11R2.106 c1cc2c(c(c1)Br)CNC2 MB07470 [0,1,0,1,0,0|2,0,0]=4 1431 B11R2.106 c1cc2c(c(c1)Br)ocn2 MB05566 [0,1,0,1,0,0|1,0,1]=4 1432 B11R2.106 c1cc2c(c(c1)Cl)CCN2 MB04569 [0,1,0,1,0,0|2,0,0]=4 1433 B11R2.106 c1cc2c(c(c1)Cl)CNC2 MB05816 [0,1,0,1,0,0|2,0,0]=4 1434 B11R2.106 c1cc2c(c(c1)Cl)ocn2 MB20023 [0,1,0,1,0,0|1,0,1]=4 1435 B11R2.106 c1cc2c(c(c1)F)CNC2 MB08984 [0,1,0,1,0,0|2,0,0]=4 1436 B11R2.106 c1cc2c(c(c1)I)CNC2 MB11259 [0,1,0,1,0,0|2,0,0]=4 1437 B11R2.106 c1cc2c(c(c1)N)CNC2 AB55999 [0,1,0,1,0,0|2,0,0]=4 1438 B11R2.106 c1cc2c(c(c1)N)CNC2 AB66280 [0,1,0,1,0,0|2,0,0]=4 1439 B11R2.106 c1cc2c(c(c1)N)NCC2 MB05535 [0,1,0,1,0,0|2,0,0]=4 1440 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [0,1,0,1,0,0|2,0,0]=4 1441 B11R2.106 c1cc2c(c(c1)O)CNC2 MB08983 [0,1,0,1,0,0|2,0,0]=4 1442 B11R2.106 c1cc2ccoc2c(c1)Br MB06925 [0,1,0,1,0,0|1,0,1]=4 1443 B11R2.106 c1cc2ccoc2c(c1)N MB10414 [0,1,0,1,0,0|1,0,1]=4 1444 B11R2.106 c1cnc(c2c1CCO2)N AB52904 [0,1,0,1,0,0|2,0,0]=4 1445 B11R2.106 c1cnc2c(c1Br)OCO2 AB73694 [0,1,0,1,0,0|2,0,0]=4 1446 B11R2.106 c1cnc2c(c1N)OCO2 AB73704 [0,1,0,1,0,0|2,0,0]=4 1447 B7R1.2 Cc1cc(cs1)Br AB20690 [1,0,0,0,1,0|2,0,0]=4 1448 B7R1.2 Cc1cc(sc1)C CB10250 [1,0,0,0,1,0|1,0,0]=3 1449 B7R1.2 Cc1ccc(o1)Br AB64979 [1,0,0,0,1,0|2,0,0]=4 1450 B7R1.2 Cc1ccn(n1)C PB27396 [1,0,0,0,1,0|2,0,0]=4 1451 B7R1.2 Cc1cnc(o1)C AB72158 [1,0,0,0,1,0|2,0,0]=4 1452 B7R1.2 Cn1ccc(c1)Br AB63663 [1,0,0,0,1,0|2,0,0]=4 1453 B7R1.4 CC1=C(C=NC1)C PB27606 [1,0,0,0,1,0|1,0,1]=4 1454 B7R1.4 Cc1c(cco1)N AB71442 [1,0,0,0,1,0|2,0,0]=4 1455 B7R1.4 Cc1c(ocn1)C AB63543 [1,0,0,0,1,0|2,0,0]=4 1456 B7R1.4 Cc1ccsc1Br PB25943 [1,0,0,0,1,0|2,0,0]=4