0 B8R1.5 C1=NC(C(=O)N=C1)N AB51505 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.5 CC1C=CN=NC1=O PB32620 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.5 Cc1c(cccn1)Br PB27472 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.5 Cc1c(cccn1)Cl AB17903 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.5 Cc1c(cccn1)F AB48604 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.5 Cc1c(cccn1)N PB33695 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.5 Cc1c(cccn1)O PB18442 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.5 Cc1c(ccnn1)N MB11382 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.5 Cc1c(cncn1)Br PB26552 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.5 Cc1c(cncn1)N PB26435 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.5 Cc1c(nccn1)Br PB10597 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.5 Cc1c(nccn1)Cl PB18413 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.5 Cc1c(nccn1)I PB26409 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.5 Cc1c(nccn1)N PB32667 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.5 Cc1c(nccn1)O PB12942 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.5 Cc1cccnc1Br AB05448 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.5 Cc1cccnc1Cl AB05179 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.5 Cc1cccnc1N AB17908 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.5 Cc1cccnc1O AB03538 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.5 Cc1ccncc1Br AB03104 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.5 Cc1ccncc1Cl AB18019 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.5 Cc1ccncc1F AB18002 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.5 Cc1ccncc1N PB14127 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.5 Cc1ccncc1O PB23391 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.5 Cc1ccnnc1Cl PB34304 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.5 Cc1ccnnc1N MB06298 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.5 Cc1cnccc1Br AB20846 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.5 Cc1cnccc1Br PB23248 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.5 Cc1cnccc1Cl AB11511 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.5 Cc1cnccc1F AB18013 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.5 Cc1cnccc1N PB17234 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.5 Cc1cncnc1Cl AB44072 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.5 Cc1cncnc1N AB54983 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.5 Cc1cncnc1O AB09558 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.5 c1c(c(ncn1)Br)N MB08406 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.5 c1c(c(ncn1)Cl)Br PB14722 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.5 c1c(c(ncn1)Cl)Cl PB28007 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.5 c1c(c(ncn1)Cl)F AB51357 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.5 c1c(c(ncn1)Cl)I PB23589 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.5 c1c(c(ncn1)I)Br PB11068 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.5 c1c(c(ncn1)N)Br MB00976 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.5 c1c(c(ncn1)N)N AB00594 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.5 c1c(c(ncn1)O)Br PB32183 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.5 c1c(c(ncn1)O)Cl PB14718 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.5 c1c(c(ncn1)O)I PB34035 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.5 c1cc(c(nc1)Br)F PB14380 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.5 c1cc(c(nc1)Br)I MB06974 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.5 c1cc(c(nc1)Br)N AB17900 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.5 c1cc(c(nc1)Br)N PB26005 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.5 c1cc(c(nc1)Br)O PB28951 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [0,0,0,0,0,0|3,0,0]=3 58 B8R1.5 c1cc(c(nc1)F)I AB13652 [0,0,0,0,0,0|3,0,0]=3 59 B8R1.5 c1cc(c(nc1)F)N AB17917 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.5 c1cc(c(nc1)I)Br AB45745 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.5 c1cc(c(nc1)I)F AB13656 [0,0,0,0,0,0|3,0,0]=3 62 B8R1.5 c1cc(c(nc1)I)I AB25846 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.5 c1cc(c(nc1)I)O MB00322 [0,0,0,0,0,0|3,0,0]=3 64 B8R1.5 c1cc(c(nc1)N)Br PB20016 [0,0,0,0,0,0|3,0,0]=3 65 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.5 c1cc(c(nc1)N)F AB17912 [0,0,0,0,0,0|3,0,0]=3 67 B8R1.5 c1cc(c(nc1)N)I PB12756 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.5 c1cc(c(nc1)N)O AB00700 [0,0,0,0,0,0|3,0,0]=3 69 B8R1.5 c1cc(c(nc1)N)O AB17906 [0,0,0,0,0,0|3,0,0]=3 70 B8R1.5 c1cc(c(nc1)N)S AB64540 [0,0,0,0,0,0|3,0,0]=3 71 B8R1.5 c1cc(c(nc1)O)Br PB12284 [0,0,0,0,0,0|3,0,0]=3 72 B8R1.5 c1cc(c(nc1)O)F AB13427 [0,0,0,0,0,0|3,0,0]=3 73 B8R1.5 c1cc(c(nc1)O)I AB53303 [0,0,0,0,0,0|3,0,0]=3 74 B8R1.5 c1cc(c(nc1)O)N PB30752 [0,0,0,0,0,0|3,0,0]=3 75 B8R1.5 c1cnc(c(n1)Cl)Cl PB15620 [0,0,0,0,0,0|2,0,0]=2 76 B8R1.5 c1cnc(c(n1)N)Br MB08183 [0,0,0,0,0,0|2,0,0]=2 77 B8R1.5 c1cnc(c(n1)N)Cl PB24841 [0,0,0,0,0,0|2,0,0]=2 78 B8R1.5 c1cnc(c(n1)N)N PB10452 [0,0,0,0,0,0|2,0,0]=2 79 B8R1.5 c1cnnc(c1Br)Cl AB77054 [0,0,0,0,0,0|4,0,0]=4 80 B8R1.5 c1cnnc(c1Br)O AB77052 [0,0,0,0,0,0|4,0,0]=4 81 B8R1.5 c1cnnc(c1Cl)Cl PB30392 [0,0,0,0,0,0|4,0,0]=4 82 B7R1.3 Cc1cccnn1 PB33649 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.3 Cc1ccncn1 PB17038 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.3 Cc1ccnnc1 PB24546 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.3 Cc1nccnn1 AB55984 [1,0,0,0,0,0|1,0,0]=2 86 B7R1.3 c1c(cncn1)Br PB28945 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.3 c1c(cncn1)Cl AB16528 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.3 c1c(cncn1)N PB12745 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.3 c1c(cncn1)O PB27730 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.3 c1cc(cnc1)Br AB00739 [1,0,0,0,0,0|2,0,0]=3 91 B7R1.3 c1cc(cnc1)I AB01382 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.3 c1cc(cnc1)[O-] MB00567 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.3 c1cc(nnc1)Br MB08580 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.3 c1cc(nnc1)Cl AB30021 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.3 c1cc(nnc1)Cl PB34726 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.3 c1cc(nnc1)N PB17217 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.3 c1cc(nnc1)O PB32258 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.3 c1ccnc(c1)Br AB00627 [1,0,0,0,0,0|2,0,0]=3 99 B7R1.3 c1cnc(cn1)Br MB06072 [1,0,0,0,0,0|1,0,0]=2 100 B7R1.3 c1cnc(cn1)I AB08841 [1,0,0,0,0,0|1,0,0]=2 101 B7R1.3 c1cnc(cn1)N PB30528 [1,0,0,0,0,0|1,0,0]=2 102 B7R1.3 c1cnc(cn1)O AB05056 [1,0,0,0,0,0|1,0,0]=2 103 B7R1.3 c1cnc(nc1)Cl AB00572 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.3 c1cnc(nc1)N MB00175 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.3 c1cncnc1Br PB10690 [1,0,0,0,0,0|3,0,0]=4 106 B7R1.3 c1cncnc1Cl AB43600 [1,0,0,0,0,0|3,0,0]=4 107 B7R1.3 c1cncnc1Cl PB13479 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.3 c1cncnc1N PB11581 [1,0,0,0,0,0|3,0,0]=4 109 B7R1.3 c1cncnc1O PB32093 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.3 c1cnnc(n1)Cl AB72415 [1,0,0,0,0,0|2,0,0]=3 111 B7R1.3 c1cnnc(n1)N AB00769 [1,0,0,0,0,0|2,0,0]=3 112 B7R1.3 c1cnncc1Br AB48350 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.3 c1cnncc1Cl AB50535 [1,0,0,0,0,0|3,0,0]=4 114 B7R1.3 c1cnncc1I AB70137 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.3 c1cnncc1N PB29051 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.3 c1cnncc1N PB39062 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.3 Cc1c(c(ccn1)Br)Cl AB63983 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.3 Cc1c(c(ccn1)Cl)Br AB63984 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.3 Cc1c(c(ccn1)Cl)Cl AB53567 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.3 Cc1c(c(ccn1)Cl)N AB70877 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.3 Cc1c(c(ccn1)Cl)O AB71205 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.3 Cc1c(c(ccn1)F)Br AB71088 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.3 Cc1c(c(ccn1)F)N AB70905 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.3 Cc1c(c(ccn1)F)O AB71324 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.3 Cc1c(c(ccn1)N)Cl AB51074 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.3 Cc1c(c(ccn1)N)N AB55860 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.3 Cc1c(c(ccn1)O)Cl AB71193 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.3 Cc1c(c(ncn1)C)Br PB26303 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.3 Cc1c(c(ncn1)Cl)Cl AB54870 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.3 Cc1c(c(ncn1)N)Cl AB53379 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.3 Cc1c(c(ncn1)O)Br AB09553 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.3 Cc1c(c(ncn1)O)Cl AB05118 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.3 Cc1c(cccc1Br)O MB09253 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.3 Cc1c(cccc1I)O MB23347 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.3 Cc1c(ccnc1Br)Cl AB71053 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.3 Cc1c(ccnc1Br)F AB71081 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.3 Cc1c(ccnc1Cl)Br AB53555 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.3 Cc1c(ccnc1Cl)I AB13660 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.3 Cc1c(ccnc1Cl)N AB75729 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.3 Cc1c(ccnc1Cl)O AB71179 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.3 Cc1c(ccnc1F)Br AB53559 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.3 Cc1c(ccnc1F)N AB82851 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.3 Cc1c(ccnc1F)O AB71301 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.3 Cc1c(ccnc1N)Cl AB70874 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.3 Cc1c(ccnc1N)F AB70896 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.3 Cc1c(ccnc1O)Cl AB71198 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.3 Cc1c(ccnc1O)F AB71318 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.3 Cc1c(nccc1Br)C AB74548 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.3 Cc1c(nccc1Cl)C AB72126 [0,1,0,0,0,0|1,0,0]=2 150 B9R1.3 Cc1c(nccc1N)C AB01511 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.3 Cc1c(nccc1O)C AB75493 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.3 Cc1c(ncnc1Cl)C AB54898 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.3 Cc1c(ncnc1N)C AB54984 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.3 Cc1c(ncnc1O)C AB05196 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.3 Cc1cccc(c1Br)O MB08359 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.3 Cc1cccc(c1Cl)O MB00390 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.3 Cc1cccc(c1F)N AB25121 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.3 Cc1cccc(c1I)O MB23494 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.3 Cc1cccc(c1N)Br MB03160 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.3 Cc1cccc(c1N)F MB03934 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.3 Cc1cccc(c1O)F MB11516 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.3 Cc1cccc(c1O)I MB23471 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.3 Cc1cccc(c1O)N MB02950 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.3 Cc1ccnc(c1Br)C AB53712 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.3 Cc1ccnc(c1Br)Cl PB21837 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.3 Cc1ccnc(c1Br)F AB44900 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.3 Cc1ccnc(c1C)Br AB25365 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.3 Cc1ccnc(c1C)N AB11611 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.3 Cc1ccnc(c1C)O AB66577 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.3 Cc1ccnc(c1Cl)Br AB44895 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.3 Cc1ccnc(c1Cl)N AB53535 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.3 Cc1ccnc(c1Cl)O AB71192 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.3 Cc1ccnc(c1N)Br AB17559 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.3 Cc1ccnc(c1N)C AB43810 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.3 Cc1ccnc(c1N)Cl PB21708 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.3 Cc1ccnc(c1N)F AB17625 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.3 Cc1ccnc(c1N)N PB32179 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.3 Cc1ccnc(c1O)C AB43831 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.3 Cc1ccnc(c1O)Cl AB17632 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.3 Cc1ccnc(c1O)F AB71297 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.3 Cc1cncc(c1C)Br AB64494 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.3 Cc1cncc(c1C)N AB76783 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.3 Cc1cncc(c1C)O AB65620 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.3 Cn1c(ccnc1=O)Cl MB19859 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.3 c1cnc(c(c1Br)Cl)F AB62814 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.3 c1cnc(c(c1Br)Cl)N AB70625 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.3 c1cnc(c(c1Br)Cl)O AB70927 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.3 c1cnc(c(c1Br)F)Cl AB70923 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.3 c1cnc(c(c1Br)N)Cl AB76588 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.3 c1cnc(c(c1Br)N)N PB33239 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.3 c1cnc(c(c1Br)O)Cl AB70925 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.3 c1cnc(c(c1Cl)Br)F AB74960 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.3 c1cnc(c(c1Cl)Cl)N AB44396 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.3 c1cnc(c(c1Cl)Cl)O AB71282 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.3 c1cnc(c(c1Cl)F)Br AB74959 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.3 c1cnc(c(c1Cl)F)N AB83135 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.3 c1cnc(c(c1Cl)F)O AB71156 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.3 c1cnc(c(c1Cl)I)Cl CB11215 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.3 c1cnc(c(c1Cl)I)N PB16074 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.3 c1cnc(c(c1Cl)N)Br AB70423 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.3 c1cnc(c(c1Cl)N)Cl AB51385 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.3 c1cnc(c(c1Cl)N)F AB83198 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.3 c1cnc(c(c1Cl)N)N PB28504 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.3 c1cnc(c(c1Cl)N)O AB75026 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.3 c1cnc(c(c1Cl)O)Br AB74968 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.3 c1cnc(c(c1Cl)O)Cl AB70492 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.3 c1cnc(c(c1Cl)O)F AB71148 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.3 c1cnc(c(c1Cl)O)N AB53290 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.3 c1cnc(c(c1Cl)O)O AB83983 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.3 c1cnc(c(c1F)Cl)Br AB82998 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.3 c1cnc(c(c1F)Cl)N AB83000 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.3 c1cnc(c(c1F)Cl)O AB71146 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.3 c1cnc(c(c1I)O)I MB09113 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.3 c1cnc(c(c1N)Br)Cl PB34372 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.3 c1cnc(c(c1N)Cl)Br AB09546 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.3 c1cnc(c(c1N)Cl)Cl AB09580 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.3 c1cnc(c(c1N)Cl)F AB70632 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.3 c1cnc(c(c1N)Cl)N AB70628 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.3 c1cnc(c(c1N)Cl)O AB51578 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.3 c1cnc(c(c1N)F)Cl AB70858 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.3 c1cnc(c(c1N)N)Br PB11027 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.3 c1cnc(c(c1N)N)Cl PB12434 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.3 c1cnc(c(c1N)N)F AB70620 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.3 c1cnc(c(c1N)N)N AB52988 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.3 c1cnc(c(c1N)O)Cl AB70863 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.3 c1cnc(c(c1O)Cl)Br AB74964 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.3 c1cnc(c(c1O)Cl)Cl AB71281 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.3 c1cnc(c(c1O)Cl)F AB71141 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.3 c1cnc(c(c1O)Cl)N AB74554 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.3 c1cnc(c(c1O)Cl)O AB09579 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.3 c1cnc(c(c1O)F)Cl AB69317 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.3 c1cnc(c(c1O)N)Cl AB76250 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.3 c1cnc(c(c1O)O)Cl AB70497 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.15 C#Cc1cccnc1Br AB69072 [0,1,0,0,0,0|2,0,1]=4 235 B9R1.15 C#Cc1cccnc1Cl AB69069 [0,1,0,0,0,0|2,0,1]=4 236 B9R1.15 C#Cc1cccnc1N AB66567 [0,1,0,0,0,0|2,0,1]=4 237 B9R1.15 C#Cc1cccnc1O AB69073 [0,1,0,0,0,0|2,0,1]=4 238 B9R1.15 C1=NC(C(=O)N=C1)C#N AB60492 [0,1,0,0,0,0|1,0,2]=4 239 B9R1.15 CCc1c(cccn1)Br AB68544 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.15 CCc1c(cccn1)O MB01433 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.15 CCc1c(cncn1)F PB21906 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.15 CCc1cncnc1Cl AB62552 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.15 CNc1c(nccn1)Cl MB13992 [0,1,0,0,0,0|1,0,0]=2 244 B9R1.15 CNc1cccnc1Br AB39252 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.15 CNc1cncnc1Cl AB65907 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.15 COc1c(cccn1)Br PB20024 [0,1,0,0,0,0|2,0,0]=3 247 B9R1.15 COc1c(cccn1)Cl AB13603 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.15 COc1c(cccn1)F AB13397 [0,1,0,0,0,0|2,0,0]=3 249 B9R1.15 COc1c(cccn1)I AB13400 [0,1,0,0,0,0|2,0,0]=3 250 B9R1.15 COc1c(cccn1)N AB07386 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.15 COc1c(cccn1)O AB06074 [0,1,0,0,0,0|2,0,0]=3 252 B9R1.15 COc1c(nccn1)Cl MB02506 [0,1,0,0,0,0|1,0,0]=2 253 B9R1.15 COc1c(nccn1)N AB22450 [0,1,0,0,0,0|1,0,0]=2 254 B9R1.15 COc1cccnc1Br PB29151 [0,1,0,0,0,0|2,0,0]=3 255 B9R1.15 COc1cccnc1Cl AB14749 [0,1,0,0,0,0|2,0,0]=3 256 B9R1.15 COc1cccnc1I AB05182 [0,1,0,0,0,0|2,0,0]=3 257 B9R1.15 COc1cccnc1N AB40614 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.15 COc1cccnc1O AB43293 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.15 CSc1c(cccn1)O MB01598 [0,1,0,0,0,0|2,0,0]=3 260 B9R1.15 CSc1cccnc1Br MB13966 [0,1,0,0,0,0|2,0,0]=3 261 B9R1.15 Cc1c(cccn1)C#C AB66573 [0,1,0,0,0,0|1,0,1]=3 262 B9R1.15 Cc1c(cccn1)C#N PB23449 [0,1,0,0,0,0|1,0,1]=3 263 B9R1.15 Cc1c(cccn1)C=O PB27878 [0,1,0,0,0,0|1,0,1]=3 264 B9R1.15 Cc1c(cccn1)CBr PB19196 [0,1,0,0,0,0|1,0,0]=2 265 B9R1.15 Cc1c(cccn1)CCl AB51469 [0,1,0,0,0,0|1,0,0]=2 266 B9R1.15 Cc1c(cccn1)CCl PB28159 [0,1,0,0,0,0|1,0,0]=2 267 B9R1.15 Cc1c(cccn1)CN AB14093 [0,1,0,0,0,0|1,0,0]=2 268 B9R1.15 Cc1c(cccn1)CO AB01512 [0,1,0,0,0,0|1,0,0]=2 269 B9R1.15 Cc1c(cccn1)OC AB03569 [0,1,0,0,0,0|1,0,0]=2 270 B9R1.15 Cc1c(nccn1)C#N AB48635 [0,1,0,0,0,0|0,0,1]=2 271 B9R1.15 Cc1c(nccn1)C=O PB13166 [0,1,0,0,0,0|0,0,1]=2 272 B9R1.15 Cc1c(nccn1)CCl PB22746 [0,1,0,0,0,0|0,0,0]=1 273 B9R1.15 Cc1c(nccn1)CN PB38635 [0,1,0,0,0,0|0,0,0]=1 274 B9R1.15 Cc1c(nccn1)CO PB22269 [0,1,0,0,0,0|0,0,0]=1 275 B9R1.15 Cc1cccnc1C=O PB14292 [0,1,0,0,0,0|1,0,1]=3 276 B9R1.15 Cc1cccnc1CCl PB32645 [0,1,0,0,0,0|1,0,0]=2 277 B9R1.15 Cc1cccnc1CN AB20671 [0,1,0,0,0,0|1,0,0]=2 278 B9R1.15 Cc1cccnc1CO AB12590 [0,1,0,0,0,0|1,0,0]=2 279 B9R1.15 Cc1cccnc1OC AB31414 [0,1,0,0,0,0|1,0,0]=2 280 B9R1.15 Cc1ccncc1CCl PB22427 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.15 Cc1ccncc1CN PB14440 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.15 Cc1ccncc1CO PB21746 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.15 Cc1ccnnc1C#N PB21475 [0,1,0,0,0,0|2,0,1]=4 284 B9R1.15 Cc1ccnnc1CN PB36913 [0,1,0,0,0,0|2,0,0]=3 285 B9R1.15 Cc1cnccc1CCl PB24122 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.15 Cc1cnccc1CN AB17090 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.15 Cc1cnccc1CO PB32359 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.15 c1[nH]c(=O)c(nn1)CN AB76236 [0,1,0,0,0,0|2,0,1]=4 289 B9R1.15 c1c(c(ncn1)N)CCl AB85293 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.15 c1cc(c(nc1)Br)C#N AB05139 [0,1,0,0,0,0|2,0,1]=4 291 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [0,1,0,0,0,0|2,0,1]=4 292 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [0,1,0,0,0,0|2,0,0]=3 293 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [0,1,0,0,0,0|2,0,0]=3 294 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [0,1,0,0,0,0|2,0,0]=3 295 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [0,1,0,0,0,0|2,0,0]=3 296 B9R1.15 c1cc(c(nc1)C#N)Br PB24769 [0,1,0,0,0,0|2,0,1]=4 297 B9R1.15 c1cc(c(nc1)C#N)Cl PB17324 [0,1,0,0,0,0|2,0,1]=4 298 B9R1.15 c1cc(c(nc1)C#N)F PB17393 [0,1,0,0,0,0|2,0,1]=4 299 B9R1.15 c1cc(c(nc1)C#N)N PB18562 [0,1,0,0,0,0|2,0,1]=4 300 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [0,1,0,0,0,0|2,0,1]=4 301 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [0,1,0,0,0,0|2,0,1]=4 302 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [0,1,0,0,0,0|2,0,1]=4 303 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [0,1,0,0,0,0|2,0,1]=4 304 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [0,1,0,0,0,0|2,0,0]=3 305 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [0,1,0,0,0,0|2,0,0]=3 306 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [0,1,0,0,0,0|2,0,0]=3 307 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [0,1,0,0,0,0|2,0,0]=3 308 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [0,1,0,0,0,0|2,0,0]=3 309 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [0,1,0,0,0,0|2,0,0]=3 310 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [0,1,0,0,0,0|2,0,0]=3 311 B9R1.15 c1cc(c(nc1)CN)F AB55320 [0,1,0,0,0,0|2,0,0]=3 312 B9R1.15 c1cc(c(nc1)CN)F PB13118 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.15 c1cc(c(nc1)CN)N AB48448 [0,1,0,0,0,0|2,0,0]=3 314 B9R1.15 c1cc(c(nc1)CN)O MB01728 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [0,1,0,0,0,0|2,0,0]=3 316 B9R1.15 c1cc(c(nc1)CO)F PB22208 [0,1,0,0,0,0|2,0,0]=3 317 B9R1.15 c1cc(c(nc1)CO)N AB31896 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.15 c1cc(c(nc1)CO)O MB00702 [0,1,0,0,0,0|2,0,0]=3 319 B9R1.15 c1cc(c(nc1)Cl)C#N AB01170 [0,1,0,0,0,0|2,0,1]=4 320 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [0,1,0,0,0,0|2,0,1]=4 321 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [0,1,0,0,0,0|2,0,0]=3 323 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [0,1,0,0,0,0|2,0,1]=4 324 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [0,1,0,0,0,0|2,0,0]=3 325 B9R1.15 c1cc(c(nc1)F)CN AB23466 [0,1,0,0,0,0|2,0,0]=3 326 B9R1.15 c1cc(c(nc1)N)C#N AB03606 [0,1,0,0,0,0|2,0,1]=4 327 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [0,1,0,0,0,0|2,0,1]=4 328 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [0,1,0,0,0,0|2,0,0]=3 329 B9R1.15 c1cc(c(nc1)N)CO PB32383 [0,1,0,0,0,0|2,0,0]=3 330 B9R1.15 c1cc(c(nc1)NN)Br MB01287 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.15 c1cc(c(nc1)O)C#N PB21004 [0,1,0,0,0,0|2,0,1]=4 332 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [0,1,0,0,0,0|2,0,1]=4 333 B9R1.15 c1cc(c(nc1)O)CO AB52938 [0,1,0,0,0,0|2,0,0]=3 334 B9R1.15 c1ccc(c(c1)CI)O MB07048 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.15 c1ccc(c(c1)CN)O MB01565 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.15 c1cnc(c(n1)C#N)Cl PB12144 [0,1,0,0,0,0|1,0,1]=3 337 B9R1.15 c1cnc(c(n1)C#N)N AB10707 [0,1,0,0,0,0|1,0,1]=3 338 B9R1.15 c1cnc(c(n1)C=O)Cl AB32644 [0,1,0,0,0,0|1,0,1]=3 339 B9R1.15 c1cnc(c(n1)C=O)N PB10822 [0,1,0,0,0,0|1,0,1]=3 340 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [0,1,0,0,0,0|1,0,0]=2 341 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [0,1,0,0,0,0|1,0,0]=2 342 B9R1.15 c1cnc(c(n1)CN)N AB53146 [0,1,0,0,0,0|1,0,0]=2 343 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [0,1,0,0,0,0|1,0,0]=2 344 B9R1.15 c1cnc(c(n1)NN)Cl PB16012 [0,1,0,0,0,0|2,0,0]=3 345 B9R1.15 c1nc(c(nn1)CN)Cl AB85242 [0,1,0,0,0,0|2,0,0]=3 346 B9R1.15 c1nc(c(nn1)Cl)C=O AB72441 [0,1,0,0,0,0|2,0,1]=4 347 B9R1.69 Cc1c(cc(cn1)Br)Br PB30636 [0,1,0,0,0,0|2,0,0]=3 348 B9R1.69 Cc1c(cc(cn1)Br)Cl PB25103 [0,1,0,0,0,0|2,0,0]=3 349 B9R1.69 Cc1c(cc(cn1)Br)F AB65410 [0,1,0,0,0,0|2,0,0]=3 350 B9R1.69 Cc1c(cc(cn1)Br)N PB18946 [0,1,0,0,0,0|2,0,0]=3 351 B9R1.69 Cc1c(cc(cn1)Cl)N PB22604 [0,1,0,0,0,0|2,0,0]=3 352 B9R1.69 Cc1c(cc(cn1)F)N AB73550 [0,1,0,0,0,0|2,0,0]=3 353 B9R1.69 Cc1c(cc(cn1)N)Br PB15954 [0,1,0,0,0,0|2,0,0]=3 354 B9R1.69 Cc1c(cc(cn1)N)Cl AB62794 [0,1,0,0,0,0|2,0,0]=3 355 B9R1.69 Cc1c(cc(cn1)N)F AB73533 [0,1,0,0,0,0|2,0,0]=3 356 B9R1.69 Cc1c(cc(cn1)O)Cl AB71195 [0,1,0,0,0,0|2,0,0]=3 357 B9R1.69 Cc1c(cc(cn1)O)F AB71314 [0,1,0,0,0,0|2,0,0]=3 358 B9R1.69 Cc1c(ccc(n1)Br)Cl AB63580 [0,1,0,0,0,0|2,0,0]=3 359 B9R1.69 Cc1c(ccc(n1)Br)F AB13446 [0,1,0,0,0,0|2,0,0]=3 360 B9R1.69 Cc1c(ccc(n1)Br)N PB20014 [0,1,0,0,0,0|2,0,0]=3 361 B9R1.69 Cc1c(ccc(n1)Cl)Br AB41208 [0,1,0,0,0,0|2,0,0]=3 362 B9R1.69 Cc1c(ccc(n1)Cl)N PB20018 [0,1,0,0,0,0|2,0,0]=3 363 B9R1.69 Cc1c(ccc(n1)F)Br AB13479 [0,1,0,0,0,0|2,0,0]=3 364 B9R1.69 Cc1c(ccc(n1)I)Br MB09866 [0,1,0,0,0,0|2,0,0]=3 365 B9R1.69 Cc1c(ccc(n1)N)Br AB02783 [0,1,0,0,0,0|2,0,0]=3 366 B9R1.69 Cc1c(ccc(n1)N)Cl AB50593 [0,1,0,0,0,0|2,0,0]=3 367 B9R1.69 Cc1c(ccc(n1)N)F AB53307 [0,1,0,0,0,0|2,0,0]=3 368 B9R1.69 Cc1c(ccc(n1)N)I AB20800 [0,1,0,0,0,0|2,0,0]=3 369 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [0,1,0,0,0,0|2,0,0]=3 370 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [0,1,0,0,0,0|2,0,0]=3 371 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [0,1,0,0,0,0|2,0,0]=3 372 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [0,1,0,0,0,0|2,0,0]=3 373 B9R1.69 Cc1c(cnc(n1)C)Br AB70482 [0,1,0,0,0,0|3,0,0]=4 374 B9R1.69 Cc1c(cnc(n1)Cl)Br AB70433 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.69 Cc1c(cnc(n1)Cl)N AB66433 [0,1,0,0,0,0|3,0,0]=4 376 B9R1.69 Cc1c(nc(cn1)Br)N AB85726 [0,1,0,0,0,0|1,0,0]=2 377 B9R1.69 Cc1c(nc(cn1)Cl)C AB68573 [0,1,0,0,0,0|0,0,0]=1 378 B9R1.69 Cc1c(nc(cn1)N)Br CB11882 [0,1,0,0,0,0|1,0,0]=2 379 B9R1.69 Cc1c(nc(cn1)N)C AB53106 [0,1,0,0,0,0|0,0,0]=1 380 B9R1.69 Cc1c(ncc(n1)Br)Br AB72476 [0,1,0,0,0,0|1,0,0]=2 381 B9R1.69 Cc1c(ncc(n1)Br)Cl AB72492 [0,1,0,0,0,0|1,0,0]=2 382 B9R1.69 Cc1c(ncc(n1)Br)I AB72495 [0,1,0,0,0,0|1,0,0]=2 383 B9R1.69 Cc1c(ncc(n1)Br)N AB48639 [0,1,0,0,0,0|1,0,0]=2 384 B9R1.69 Cc1c(ncc(n1)Br)O AB85718 [0,1,0,0,0,0|1,0,0]=2 385 B9R1.69 Cc1c(ncc(n1)Cl)Br AB72477 [0,1,0,0,0,0|1,0,0]=2 386 B9R1.69 Cc1c(ncc(n1)Cl)Cl AB70649 [0,1,0,0,0,0|1,0,0]=2 387 B9R1.69 Cc1c(ncc(n1)Cl)F AB85699 [0,1,0,0,0,0|1,0,0]=2 388 B9R1.69 Cc1c(ncc(n1)Cl)I AB72504 [0,1,0,0,0,0|1,0,0]=2 389 B9R1.69 Cc1c(ncc(n1)Cl)N AB54525 [0,1,0,0,0,0|1,0,0]=2 390 B9R1.69 Cc1c(ncc(n1)F)Br AB85703 [0,1,0,0,0,0|1,0,0]=2 391 B9R1.69 Cc1c(ncc(n1)F)Cl AB85700 [0,1,0,0,0,0|1,0,0]=2 392 B9R1.69 Cc1c(ncc(n1)I)Br AB72480 [0,1,0,0,0,0|1,0,0]=2 393 B9R1.69 Cc1c(ncc(n1)N)Br AB48621 [0,1,0,0,0,0|1,0,0]=2 394 B9R1.69 Cc1c(nnc(n1)C)Cl AB72440 [0,1,0,0,0,0|2,0,0]=3 395 B9R1.69 Cc1c(nnc(n1)Cl)Cl AB72423 [0,1,0,0,0,0|2,0,0]=3 396 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [0,1,0,0,0,0|2,0,0]=3 397 B9R1.69 Cc1cc(c(nc1)Br)Cl AB53543 [0,1,0,0,0,0|3,0,0]=4 398 B9R1.69 Cc1cc(c(nc1)Br)F AB55034 [0,1,0,0,0,0|3,0,0]=4 399 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [0,1,0,0,0,0|2,0,0]=3 400 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [0,1,0,0,0,0|2,0,0]=3 401 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [0,1,0,0,0,0|2,0,0]=3 402 B9R1.69 Cc1cc(c(nc1)Cl)Br AB09970 [0,1,0,0,0,0|3,0,0]=4 403 B9R1.69 Cc1cc(c(nc1)Cl)N AB15085 [0,1,0,0,0,0|3,0,0]=4 404 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [0,1,0,0,0,0|3,0,0]=4 405 B9R1.69 Cc1cc(c(nc1)F)Br AB13665 [0,1,0,0,0,0|3,0,0]=4 406 B9R1.69 Cc1cc(c(nc1)F)N AB66726 [0,1,0,0,0,0|3,0,0]=4 407 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [0,1,0,0,0,0|3,0,0]=4 408 B9R1.69 Cc1cc(c(nc1)N)Br AB02784 [0,1,0,0,0,0|3,0,0]=4 409 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [0,1,0,0,0,0|2,0,0]=3 410 B9R1.69 Cc1cc(c(nc1)N)Cl AB32106 [0,1,0,0,0,0|3,0,0]=4 411 B9R1.69 Cc1cc(c(nc1)N)F AB66724 [0,1,0,0,0,0|3,0,0]=4 412 B9R1.69 Cc1cc(c(nc1)N)N AB16874 [0,1,0,0,0,0|3,0,0]=4 413 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [0,1,0,0,0,0|3,0,0]=4 414 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [0,1,0,0,0,0|2,0,0]=3 415 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [0,1,0,0,0,0|3,0,0]=4 416 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [0,1,0,0,0,0|3,0,0]=4 417 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [0,1,0,0,0,0|3,0,0]=4 418 B9R1.69 Cc1cc(ccc1I)O MB06793 [0,1,0,0,0,0|3,0,0]=4 419 B9R1.69 Cc1cc(cnc1Br)Br AB10779 [0,1,0,0,0,0|2,0,0]=3 420 B9R1.69 Cc1cc(cnc1Br)Cl AB13444 [0,1,0,0,0,0|2,0,0]=3 421 B9R1.69 Cc1cc(cnc1Br)F AB53312 [0,1,0,0,0,0|2,0,0]=3 422 B9R1.69 Cc1cc(cnc1Br)N AB13464 [0,1,0,0,0,0|2,0,0]=3 423 B9R1.69 Cc1cc(cnc1Br)O AB53545 [0,1,0,0,0,0|2,0,0]=3 424 B9R1.69 Cc1cc(cnc1C)Br AB64498 [0,1,0,0,0,0|1,0,0]=2 425 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [0,1,0,0,0,0|1,0,0]=2 426 B9R1.69 Cc1cc(cnc1C)N AB42833 [0,1,0,0,0,0|1,0,0]=2 427 B9R1.69 Cc1cc(cnc1C)O AB65534 [0,1,0,0,0,0|1,0,0]=2 428 B9R1.69 Cc1cc(cnc1Cl)Cl AB16614 [0,1,0,0,0,0|2,0,0]=3 429 B9R1.69 Cc1cc(cnc1Cl)F AB21234 [0,1,0,0,0,0|2,0,0]=3 430 B9R1.69 Cc1cc(cnc1Cl)I CB11216 [0,1,0,0,0,0|2,0,0]=3 431 B9R1.69 Cc1cc(cnc1Cl)N AB13470 [0,1,0,0,0,0|2,0,0]=3 432 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [0,1,0,0,0,0|2,0,0]=3 433 B9R1.69 Cc1cc(cnc1F)Br AB13475 [0,1,0,0,0,0|2,0,0]=3 434 B9R1.69 Cc1cc(cnc1F)Cl AB13483 [0,1,0,0,0,0|2,0,0]=3 435 B9R1.69 Cc1cc(cnc1F)N AB13474 [0,1,0,0,0,0|2,0,0]=3 436 B9R1.69 Cc1cc(cnc1F)O AB53562 [0,1,0,0,0,0|2,0,0]=3 437 B9R1.69 Cc1cc(cnc1I)Br AB42361 [0,1,0,0,0,0|2,0,0]=3 438 B9R1.69 Cc1cc(cnc1I)Cl AB75751 [0,1,0,0,0,0|2,0,0]=3 439 B9R1.69 Cc1cc(cnc1N)Br AB02787 [0,1,0,0,0,0|2,0,0]=3 440 B9R1.69 Cc1cc(cnc1N)Cl AB03635 [0,1,0,0,0,0|2,0,0]=3 441 B9R1.69 Cc1cc(cnc1N)F AB41238 [0,1,0,0,0,0|2,0,0]=3 442 B9R1.69 Cc1cc(cnc1N)I AB10923 [0,1,0,0,0,0|2,0,0]=3 443 B9R1.69 Cc1cc(cnc1O)Br AB15087 [0,1,0,0,0,0|2,0,0]=3 444 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [0,1,0,0,0,0|2,0,0]=3 445 B9R1.69 Cc1cc(cnc1O)F AB82901 [0,1,0,0,0,0|2,0,0]=3 446 B9R1.69 Cc1cc(cnc1O)I CB10781 [0,1,0,0,0,0|2,0,0]=3 447 B9R1.69 Cc1cc(cnc1O)N AB41215 [0,1,0,0,0,0|2,0,0]=3 448 B9R1.69 Cc1cc(ncc1C)Br AB64948 [0,1,0,0,0,0|3,0,0]=4 449 B9R1.69 Cc1cc(ncc1C)N AB49139 [0,1,0,0,0,0|3,0,0]=4 450 B9R1.69 Cc1cc(ncc1C)O AB71287 [0,1,0,0,0,0|3,0,0]=4 451 B9R1.69 Cc1cc(nnc1Cl)C PB31877 [0,1,0,0,0,0|3,0,0]=4 452 B9R1.69 Cc1cc(nnc1Cl)Cl PB23168 [0,1,0,0,0,0|3,0,0]=4 453 B9R1.69 Cc1cc(nnc1O)O PB15638 [0,1,0,0,0,0|3,0,0]=4 454 B9R1.69 Cc1ccc(c(n1)Br)N AB13459 [0,1,0,0,0,0|3,0,0]=4 455 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [0,1,0,0,0,0|2,0,0]=3 457 B9R1.69 Cc1ccc(c(n1)Cl)Br AB13590 [0,1,0,0,0,0|3,0,0]=4 458 B9R1.69 Cc1ccc(c(n1)Cl)N AB13580 [0,1,0,0,0,0|3,0,0]=4 459 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [0,1,0,0,0,0|3,0,0]=4 460 B9R1.69 Cc1ccc(c(n1)F)N AB13597 [0,1,0,0,0,0|3,0,0]=4 461 B9R1.69 Cc1ccc(c(n1)N)Br AB13584 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.69 Cc1ccc(c(n1)N)Cl AB41203 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.69 Cc1ccc(c(n1)N)N AB15083 [0,1,0,0,0,0|3,0,0]=4 464 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [0,1,0,0,0,0|3,0,0]=4 466 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [0,1,0,0,0,0|3,0,0]=4 467 B9R1.69 Cc1ccc(cc1I)O MB07177 [0,1,0,0,0,0|3,0,0]=4 468 B9R1.69 Cc1ccc(cc1O)Br MB05210 [0,1,0,0,0,0|3,0,0]=4 469 B9R1.69 Cc1ccc(cc1O)I MB12091 [0,1,0,0,0,0|3,0,0]=4 470 B9R1.69 Cc1ccc(nc1Br)Br AB16615 [0,1,0,0,0,0|2,0,0]=3 471 B9R1.69 Cc1ccc(nc1Br)C AB65454 [0,1,0,0,0,0|2,0,0]=3 472 B9R1.69 Cc1ccc(nc1Br)Cl AB62917 [0,1,0,0,0,0|2,0,0]=3 473 B9R1.69 Cc1ccc(nc1Br)F AB71569 [0,1,0,0,0,0|2,0,0]=3 474 B9R1.69 Cc1ccc(nc1C)Br AB64947 [0,1,0,0,0,0|1,0,0]=2 475 B9R1.69 Cc1ccc(nc1C)N AB23050 [0,1,0,0,0,0|1,0,0]=2 476 B9R1.69 Cc1ccc(nc1C)O AB54521 [0,1,0,0,0,0|1,0,0]=2 477 B9R1.69 Cc1ccc(nc1Cl)Br AB74690 [0,1,0,0,0,0|2,0,0]=3 478 B9R1.69 Cc1ccc(nc1Cl)N AB70428 [0,1,0,0,0,0|2,0,0]=3 479 B9R1.69 Cc1ccc(nc1Cl)O AB71186 [0,1,0,0,0,0|2,0,0]=3 480 B9R1.69 Cc1ccc(nc1F)Br AB74556 [0,1,0,0,0,0|2,0,0]=3 481 B9R1.69 Cc1ccc(nc1F)N AB83080 [0,1,0,0,0,0|2,0,0]=3 482 B9R1.69 Cc1ccc(nc1F)O AB71306 [0,1,0,0,0,0|2,0,0]=3 483 B9R1.69 Cc1ccc(nc1N)Br AB71668 [0,1,0,0,0,0|2,0,0]=3 484 B9R1.69 Cc1ccc(nc1N)C AB25382 [0,1,0,0,0,0|2,0,0]=3 485 B9R1.69 Cc1ccc(nc1N)Cl AB73562 [0,1,0,0,0,0|2,0,0]=3 486 B9R1.69 Cc1ccc(nc1N)F AB82883 [0,1,0,0,0,0|2,0,0]=3 487 B9R1.69 Cc1ccc(nc1N)N AB43423 [0,1,0,0,0,0|2,0,0]=3 488 B9R1.69 Cc1ccc(nc1O)C AB71286 [0,1,0,0,0,0|2,0,0]=3 489 B9R1.69 Cc1ccc(nc1O)Cl AB75750 [0,1,0,0,0,0|2,0,0]=3 490 B9R1.69 Cc1ccc(nc1O)F AB82880 [0,1,0,0,0,0|2,0,0]=3 491 B9R1.69 Cc1cnc(c(n1)Br)C AB65522 [0,1,0,0,0,0|1,0,0]=2 492 B9R1.69 Cc1cnc(c(n1)Br)N CB11261 [0,1,0,0,0,0|2,0,0]=3 493 B9R1.69 Cc1cnc(c(n1)C)Br AB73101 [0,1,0,0,0,0|1,0,0]=2 494 B9R1.69 Cc1cnc(c(n1)C)Cl AB03542 [0,1,0,0,0,0|1,0,0]=2 495 B9R1.69 Cc1cnc(c(n1)C)N AB03436 [0,1,0,0,0,0|1,0,0]=2 496 B9R1.69 Cc1cnc(c(n1)Cl)C AB00609 [0,1,0,0,0,0|1,0,0]=2 497 B9R1.69 Cc1cnc(nc1Cl)C AB51539 [0,1,0,0,0,0|3,0,0]=4 498 B9R1.69 Cc1cnc(nc1Cl)Cl PB17064 [0,1,0,0,0,0|3,0,0]=4 499 B9R1.69 Cc1cnc(nc1Cl)N PB24678 [0,1,0,0,0,0|3,0,0]=4 500 B9R1.69 Cc1cnc(nc1N)C AB54986 [0,1,0,0,0,0|3,0,0]=4 501 B9R1.69 Cc1cnc(nc1N)Cl PB10226 [0,1,0,0,0,0|3,0,0]=4 502 B9R1.69 Cc1cnc(nc1O)C AB21544 [0,1,0,0,0,0|3,0,0]=4 503 B9R1.69 Cn1c(=O)cc(cn1)I PB36201 [0,1,0,0,0,0|3,0,0]=4 504 B9R1.69 Cn1c(=O)cc(cn1)N PB19682 [0,1,0,0,0,0|3,0,0]=4 505 B9R1.69 Cn1c(=O)ccc(n1)Cl MB02254 [0,1,0,0,0,0|3,0,0]=4 506 B9R1.69 c1(c(nnc(n1)Cl)Br)Cl AB72409 [0,1,0,0,0,0|3,0,0]=4 507 B9R1.69 c1(c(nnc(n1)Cl)Cl)Cl AB49394 [0,1,0,0,0,0|3,0,0]=4 508 B9R1.69 c1(c(nnc(n1)Cl)Cl)N AB72421 [0,1,0,0,0,0|3,0,0]=4 509 B9R1.69 c1(c(nnc(n1)N)Br)N AB44313 [0,1,0,0,0,0|3,0,0]=4 510 B9R1.69 c1(c(nnc(n1)O)Br)O AB03586 [0,1,0,0,0,0|3,0,0]=4 511 B9R1.69 c1c(cnc(c1Br)Cl)Cl AB25941 [0,1,0,0,0,0|3,0,0]=4 512 B9R1.69 c1c(cnc(c1Br)Cl)F AB13638 [0,1,0,0,0,0|3,0,0]=4 513 B9R1.69 c1c(cnc(c1Br)Cl)N CB10761 [0,1,0,0,0,0|3,0,0]=4 514 B9R1.69 c1c(cnc(c1Br)Cl)O CB11311 [0,1,0,0,0,0|3,0,0]=4 515 B9R1.69 c1c(cnc(c1Br)F)Cl AB20989 [0,1,0,0,0,0|3,0,0]=4 516 B9R1.69 c1c(cnc(c1Br)I)Cl AB64692 [0,1,0,0,0,0|3,0,0]=4 517 B9R1.69 c1c(cnc(c1Br)N)Br AB01699 [0,1,0,0,0,0|3,0,0]=4 518 B9R1.69 c1c(cnc(c1Br)N)Cl AB07737 [0,1,0,0,0,0|3,0,0]=4 519 B9R1.69 c1c(cnc(c1Br)N)I AB44276 [0,1,0,0,0,0|3,0,0]=4 520 B9R1.69 c1c(cnc(c1Br)O)Br AB01360 [0,1,0,0,0,0|3,0,0]=4 521 B9R1.69 c1c(cnc(c1Br)O)Cl AB09921 [0,1,0,0,0,0|3,0,0]=4 522 B9R1.69 c1c(cnc(c1Cl)Br)Br PB18868 [0,1,0,0,0,0|3,0,0]=4 523 B9R1.69 c1c(cnc(c1Cl)Br)Cl AB05062 [0,1,0,0,0,0|3,0,0]=4 524 B9R1.69 c1c(cnc(c1Cl)Br)F AB66730 [0,1,0,0,0,0|3,0,0]=4 525 B9R1.69 c1c(cnc(c1Cl)Cl)I PB23692 [0,1,0,0,0,0|3,0,0]=4 526 B9R1.69 c1c(cnc(c1Cl)F)Br AB52757 [0,1,0,0,0,0|3,0,0]=4 527 B9R1.69 c1c(cnc(c1Cl)F)N AB75047 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.69 c1c(cnc(c1Cl)F)O AB43291 [0,1,0,0,0,0|3,0,0]=4 529 B9R1.69 c1c(cnc(c1Cl)N)Br AB63574 [0,1,0,0,0,0|3,0,0]=4 530 B9R1.69 c1c(cnc(c1Cl)N)Cl AB00689 [0,1,0,0,0,0|3,0,0]=4 531 B9R1.69 c1c(cnc(c1Cl)N)F AB50026 [0,1,0,0,0,0|3,0,0]=4 532 B9R1.69 c1c(cnc(c1Cl)N)N AB70626 [0,1,0,0,0,0|3,0,0]=4 533 B9R1.69 c1c(cnc(c1Cl)O)Br AB05076 [0,1,0,0,0,0|3,0,0]=4 534 B9R1.69 c1c(cnc(c1Cl)O)Cl AB03534 [0,1,0,0,0,0|3,0,0]=4 535 B9R1.69 c1c(cnc(c1Cl)O)F AB66743 [0,1,0,0,0,0|3,0,0]=4 536 B9R1.69 c1c(cnc(c1Cl)O)N AB76242 [0,1,0,0,0,0|3,0,0]=4 537 B9R1.69 c1c(cnc(c1Cl)O)O AB71133 [0,1,0,0,0,0|3,0,0]=4 538 B9R1.69 c1c(cnc(c1F)Br)Cl AB62913 [0,1,0,0,0,0|3,0,0]=4 539 B9R1.69 c1c(cnc(c1F)Cl)Br AB14161 [0,1,0,0,0,0|3,0,0]=4 540 B9R1.69 c1c(cnc(c1F)Cl)N AB75042 [0,1,0,0,0,0|3,0,0]=4 541 B9R1.69 c1c(cnc(c1F)Cl)O AB14157 [0,1,0,0,0,0|3,0,0]=4 542 B9R1.69 c1c(cnc(c1F)I)Br AB73520 [0,1,0,0,0,0|3,0,0]=4 543 B9R1.69 c1c(cnc(c1F)N)Cl AB53928 [0,1,0,0,0,0|3,0,0]=4 544 B9R1.69 c1c(cnc(c1F)O)Br AB40961 [0,1,0,0,0,0|3,0,0]=4 545 B9R1.69 c1c(cnc(c1F)O)Cl AB41032 [0,1,0,0,0,0|3,0,0]=4 546 B9R1.69 c1c(cnc(c1I)Cl)Br AB48194 [0,1,0,0,0,0|3,0,0]=4 547 B9R1.69 c1c(cnc(c1I)Cl)F AB13622 [0,1,0,0,0,0|3,0,0]=4 548 B9R1.69 c1c(cnc(c1I)N)Br AB25852 [0,1,0,0,0,0|3,0,0]=4 549 B9R1.69 c1c(cnc(c1I)N)Cl AB42079 [0,1,0,0,0,0|3,0,0]=4 550 B9R1.69 c1c(cnc(c1I)N)F AB48199 [0,1,0,0,0,0|3,0,0]=4 551 B9R1.69 c1c(cnc(c1I)O)Br AB48195 [0,1,0,0,0,0|3,0,0]=4 552 B9R1.69 c1c(cnc(c1N)Br)Br PB32717 [0,1,0,0,0,0|3,0,0]=4 553 B9R1.69 c1c(cnc(c1N)Br)F AB21745 [0,1,0,0,0,0|3,0,0]=4 554 B9R1.69 c1c(cnc(c1N)Cl)Br PB21183 [0,1,0,0,0,0|3,0,0]=4 555 B9R1.69 c1c(cnc(c1N)Cl)Cl AB04748 [0,1,0,0,0,0|3,0,0]=4 556 B9R1.69 c1c(cnc(c1N)Cl)F AB44890 [0,1,0,0,0,0|3,0,0]=4 557 B9R1.69 c1c(cnc(c1N)Cl)I AB17086 [0,1,0,0,0,0|3,0,0]=4 558 B9R1.69 c1c(cnc(c1N)Cl)N AB51565 [0,1,0,0,0,0|3,0,0]=4 559 B9R1.69 c1c(cnc(c1N)Cl)O AB70860 [0,1,0,0,0,0|3,0,0]=4 560 B9R1.69 c1c(cnc(c1N)F)Cl AB25964 [0,1,0,0,0,0|3,0,0]=4 561 B9R1.69 c1c(cnc(c1N)N)Br PB10156 [0,1,0,0,0,0|3,0,0]=4 562 B9R1.69 c1c(cnc(c1N)N)Cl AB08400 [0,1,0,0,0,0|3,0,0]=4 563 B9R1.69 c1c(cnc(c1N)N)I AB60257 [0,1,0,0,0,0|3,0,0]=4 564 B9R1.69 c1c(cnc(c1N)O)Br AB16428 [0,1,0,0,0,0|3,0,0]=4 565 B9R1.69 c1c(cnc(c1N)O)Cl AB40990 [0,1,0,0,0,0|3,0,0]=4 566 B9R1.69 c1c(cnc(c1N)O)N AB64414 [0,1,0,0,0,0|3,0,0]=4 567 B9R1.69 c1c(cnc(c1N)S)Br AB40982 [0,1,0,0,0,0|3,0,0]=4 568 B9R1.69 c1c(cnc(c1N)S)Cl AB41057 [0,1,0,0,0,0|3,0,0]=4 569 B9R1.69 c1c(cnc(c1O)Br)F MB09912 [0,1,0,0,0,0|3,0,0]=4 570 B9R1.69 c1c(cnc(c1O)Cl)Br PB17565 [0,1,0,0,0,0|3,0,0]=4 571 B9R1.69 c1c(cnc(c1O)Cl)Cl AB66760 [0,1,0,0,0,0|3,0,0]=4 572 B9R1.69 c1c(cnc(c1O)Cl)F AB13634 [0,1,0,0,0,0|3,0,0]=4 573 B9R1.69 c1c(cnc(c1O)Cl)N AB76704 [0,1,0,0,0,0|3,0,0]=4 574 B9R1.69 c1c(cnc(c1O)Cl)O AB71129 [0,1,0,0,0,0|3,0,0]=4 575 B9R1.69 c1c(nc(c(n1)Br)Cl)Br AB72488 [0,1,0,0,0,0|2,0,0]=3 576 B9R1.69 c1c(nc(c(n1)Br)Cl)I AB72490 [0,1,0,0,0,0|2,0,0]=3 577 B9R1.69 c1c(nc(c(n1)Br)Cl)N PB28090 [0,1,0,0,0,0|2,0,0]=3 578 B9R1.69 c1c(nc(c(n1)Br)N)Br PB11968 [0,1,0,0,0,0|2,0,0]=3 579 B9R1.69 c1c(nc(c(n1)Br)N)Cl PB25331 [0,1,0,0,0,0|2,0,0]=3 580 B9R1.69 c1c(nc(c(n1)Cl)Br)Br PB28518 [0,1,0,0,0,0|2,0,0]=3 581 B9R1.69 c1c(nc(c(n1)Cl)Cl)N AB76542 [0,1,0,0,0,0|2,0,0]=3 582 B9R1.69 c1c(nc(c(n1)Cl)N)Cl AB70503 [0,1,0,0,0,0|2,0,0]=3 583 B9R1.69 c1c(nc(c(n1)I)Cl)Cl AB69264 [0,1,0,0,0,0|2,0,0]=3 584 B9R1.69 c1c(nc(c(n1)N)Br)Br PB10167 [0,1,0,0,0,0|2,0,0]=3 585 B9R1.69 c1c(nc(c(n1)N)Br)Cl AB54749 [0,1,0,0,0,0|2,0,0]=3 586 B9R1.69 c1c(nc(c(n1)N)Cl)Br PB34579 [0,1,0,0,0,0|2,0,0]=3 587 B9R1.69 c1c(nc(c(n1)N)Cl)Cl AB62777 [0,1,0,0,0,0|2,0,0]=3 588 B9R1.69 c1c(nc(c(n1)N)Cl)I PB36564 [0,1,0,0,0,0|2,0,0]=3 589 B9R1.69 c1c(nc(c(n1)N)N)Br PB20156 [0,1,0,0,0,0|2,0,0]=3 590 B9R1.69 c1c(nc(c(n1)N)N)Cl AB71823 [0,1,0,0,0,0|2,0,0]=3 591 B9R1.69 c1cc(nc(c1Br)Cl)I AB73525 [0,1,0,0,0,0|3,0,0]=4 592 B9R1.69 c1cc(nc(c1Br)F)I AB73526 [0,1,0,0,0,0|3,0,0]=4 593 B9R1.69 c1cc(nc(c1Br)I)N CB11794 [0,1,0,0,0,0|3,0,0]=4 594 B9R1.69 c1cc(nc(c1Br)N)Br AB13816 [0,1,0,0,0,0|3,0,0]=4 595 B9R1.69 c1cc(nc(c1Br)N)Cl AB68223 [0,1,0,0,0,0|3,0,0]=4 596 B9R1.69 c1cc(nc(c1Br)N)N PB14375 [0,1,0,0,0,0|3,0,0]=4 597 B9R1.69 c1cc(nc(c1Cl)F)Br AB74962 [0,1,0,0,0,0|3,0,0]=4 598 B9R1.69 c1cc(nc(c1Cl)F)N AB74549 [0,1,0,0,0,0|3,0,0]=4 599 B9R1.69 c1cc(nc(c1Cl)F)O AB71143 [0,1,0,0,0,0|3,0,0]=4 600 B9R1.69 c1cc(nc(c1Cl)N)Br AB68234 [0,1,0,0,0,0|3,0,0]=4 601 B9R1.69 c1cc(nc(c1Cl)N)Cl AB06148 [0,1,0,0,0,0|3,0,0]=4 602 B9R1.69 c1cc(nc(c1Cl)N)N AB03196 [0,1,0,0,0,0|3,0,0]=4 603 B9R1.69 c1cc(nc(c1Cl)N)O AB83953 [0,1,0,0,0,0|3,0,0]=4 604 B9R1.69 c1cc(nc(c1Cl)O)Br AB84077 [0,1,0,0,0,0|3,0,0]=4 605 B9R1.69 c1cc(nc(c1Cl)O)Cl AB10185 [0,1,0,0,0,0|3,0,0]=4 606 B9R1.69 c1cc(nc(c1Cl)O)N AB84080 [0,1,0,0,0,0|3,0,0]=4 607 B9R1.69 c1cc(nc(c1Cl)O)O AB84078 [0,1,0,0,0,0|3,0,0]=4 608 B9R1.69 c1cc(nc(c1F)Br)Cl AB74954 [0,1,0,0,0,0|3,0,0]=4 609 B9R1.69 c1cc(nc(c1F)Cl)Br AB74951 [0,1,0,0,0,0|3,0,0]=4 610 B9R1.69 c1cc(nc(c1F)Cl)N AB75035 [0,1,0,0,0,0|3,0,0]=4 611 B9R1.69 c1cc(nc(c1F)Cl)O AB71136 [0,1,0,0,0,0|3,0,0]=4 612 B9R1.69 c1cc(nc(c1F)N)Cl AB73059 [0,1,0,0,0,0|3,0,0]=4 613 B9R1.69 c1cc(nc(c1F)O)Cl AB83102 [0,1,0,0,0,0|3,0,0]=4 614 B9R1.69 c1cc(nc(c1N)Br)Br PB17118 [0,1,0,0,0,0|3,0,0]=4 615 B9R1.69 c1cc(nc(c1N)Br)Cl PB34600 [0,1,0,0,0,0|3,0,0]=4 616 B9R1.69 c1cc(nc(c1N)Cl)Br AB20901 [0,1,0,0,0,0|3,0,0]=4 617 B9R1.69 c1cc(nc(c1N)Cl)Cl AB01354 [0,1,0,0,0,0|3,0,0]=4 618 B9R1.69 c1cc(nc(c1N)Cl)N AB83963 [0,1,0,0,0,0|3,0,0]=4 619 B9R1.69 c1cc(nc(c1N)Cl)O AB70861 [0,1,0,0,0,0|3,0,0]=4 620 B9R1.69 c1cc(nc(c1N)N)Br AB60264 [0,1,0,0,0,0|3,0,0]=4 621 B9R1.69 c1cc(nc(c1N)N)Cl PB14154 [0,1,0,0,0,0|3,0,0]=4 622 B9R1.69 c1cc(nc(c1N)N)F AB66676 [0,1,0,0,0,0|3,0,0]=4 623 B9R1.69 c1cc(nc(c1N)N)N AB03630 [0,1,0,0,0,0|3,0,0]=4 624 B9R1.69 c1cc(nc(c1N)O)Br AB26870 [0,1,0,0,0,0|3,0,0]=4 625 B9R1.69 c1cc(nc(c1O)Cl)Br AB64867 [0,1,0,0,0,0|3,0,0]=4 626 B9R1.69 c1cc(nc(c1O)Cl)Cl AB62926 [0,1,0,0,0,0|3,0,0]=4 627 B9R1.69 c1cc(nc(c1O)Cl)N AB84093 [0,1,0,0,0,0|3,0,0]=4 628 B9R1.69 c1cc(nc(c1O)Cl)O AB71131 [0,1,0,0,0,0|3,0,0]=4 629 B9R1.69 c1cc(nc(c1O)N)Br AB63559 [0,1,0,0,0,0|3,0,0]=4 630 B9R1.69 c1cc(nc(c1O)N)Cl AB69334 [0,1,0,0,0,0|3,0,0]=4 631 B7R1.4 CC1=C(C=NC1)C PB27606 [0,0,0,0,1,0|2,0,0]=3 632 B7R1.4 CC1=C(N=NC1)Br PB11022 [0,0,0,0,1,0|2,0,1]=4 633 B7R1.4 CC1=C(N=NC1)N AB44283 [0,0,0,0,1,0|2,0,1]=4 634 B7R1.4 CC1=C(N=NC1)N AB72239 [0,0,0,0,1,0|2,0,1]=4 635 B7R1.4 CC1=NC=NC1Br AB26578 [0,0,0,0,1,0|1,0,1]=3 636 B7R1.4 CC1=NC=NC1N MB11358 [0,0,0,0,1,0|1,0,1]=3 637 B7R1.4 CC1=NN=CC1Br CB10025 [0,0,0,0,1,0|2,0,1]=4 638 B7R1.4 CC1=NN=CC1N MB09907 [0,0,0,0,1,0|2,0,1]=4 639 B7R1.4 CC1=NN=NC1Br MB14576 [0,0,0,0,1,0|2,0,1]=4 640 B7R1.4 CC1C(=NC=N1)C AB09621 [0,0,0,0,1,0|0,0,1]=2 641 B7R1.4 Cc1c(cco1)N AB71442 [0,0,0,0,1,0|2,0,0]=3 642 B7R1.4 Cc1c(cno1)N MB10128 [0,0,0,0,1,0|3,0,0]=4 643 B7R1.4 Cc1c(con1)N MB11367 [0,0,0,0,1,0|2,0,0]=3 644 B7R1.4 Cc1c(nco1)N MB11380 [0,0,0,0,1,0|2,0,0]=3 645 B7R1.4 Cc1c(ocn1)C AB63543 [0,0,0,0,1,0|1,0,0]=2 646 B7R1.4 Cc1c(ocn1)N MB11381 [0,0,0,0,1,0|2,0,0]=3 647 B7R1.4 Cc1ccsc1Br PB25943 [0,0,0,0,1,0|2,0,0]=3 648 B7R1.4 Cc1cnoc1N MB11360 [0,0,0,0,1,0|3,0,0]=4 649 B7R1.4 Cc1conc1N MB11363 [0,0,0,0,1,0|2,0,0]=3 650 B7R1.4 Cc1nccn1N AB44383 [0,0,0,0,1,0|2,0,0]=3 651 B7R1.4 Cn1c(ccn1)N PB33809 [0,0,0,0,1,0|2,0,0]=3 652 B7R1.4 Cn1c(cnn1)Br AB69597 [0,0,0,0,1,0|3,0,0]=4 653 B7R1.4 Cn1c(cnn1)I AB69606 [0,0,0,0,1,0|3,0,0]=4 654 B7R1.4 Cn1ccnc1Br AB11315 [0,0,0,0,1,0|2,0,0]=3 655 B7R1.4 Cn1ccnc1Cl AB11324 [0,0,0,0,1,0|2,0,0]=3 656 B7R1.4 Cn1ccnc1I PB32223 [0,0,0,0,1,0|2,0,0]=3 657 B7R1.4 Cn1ccnc1N AB59774 [0,0,0,0,1,0|2,0,0]=3 658 B7R1.4 Cn1cnnc1Br AB57304 [0,0,0,0,1,0|3,0,0]=4 659 B7R1.4 c1[nH]c(c(n1)Br)Br AB03286 [0,0,0,0,1,0|2,0,1]=4 660 B7R1.4 c1[nH]c(c(n1)I)I AB07820 [0,0,0,0,1,0|2,0,1]=4 661 B7R1.4 c1coc(c1N)Br AB71394 [0,0,0,0,1,0|3,0,0]=4 662 B8R1.2 C#Cc1ccccn1 PB17077 [1,1,0,0,0,0|1,0,1]=4 663 B8R1.2 C#Cc1cccnc1 PB29186 [1,1,0,0,0,0|1,0,1]=4 664 B8R1.2 C#Cc1cnccn1 PB18058 [1,1,0,0,0,0|0,0,1]=3 665 B8R1.2 CNc1cccnc1 AB09114 [1,1,0,0,0,0|1,0,0]=3 666 B8R1.2 CNc1ccncn1 AB60623 [1,1,0,0,0,0|2,0,0]=4 667 B8R1.2 CNc1cncnc1 AB60774 [1,1,0,0,0,0|2,0,0]=4 668 B8R1.2 CNc1ncccn1 AB05135 [1,1,0,0,0,0|2,0,0]=4 669 B8R1.2 COc1cccnc1 AB06864 [1,1,0,0,0,0|1,0,0]=3 670 B8R1.2 COc1cccnn1 AB05130 [1,1,0,0,0,0|2,0,0]=4 671 B8R1.2 COc1ccnnc1 AB44150 [1,1,0,0,0,0|2,0,0]=4 672 B8R1.2 c1c(cncn1)CCl PB31962 [1,1,0,0,0,0|2,0,0]=4 673 B8R1.2 c1c(cncn1)CCl PB34530 [1,1,0,0,0,0|2,0,0]=4 674 B8R1.2 c1c(cncn1)CN PB26277 [1,1,0,0,0,0|2,0,0]=4 675 B8R1.2 c1c(cncn1)CO PB18631 [1,1,0,0,0,0|2,0,0]=4 676 B8R1.2 c1cc(cnc1)C=O AB00744 [1,1,0,0,0,0|1,0,1]=4 677 B8R1.2 c1cc(cnc1)CCl AB01984 [1,1,0,0,0,0|1,0,0]=3 678 B8R1.2 c1cc(cnc1)CN AB00752 [1,1,0,0,0,0|1,0,0]=3 679 B8R1.2 c1cc(cnc1)NN AB42924 [1,1,0,0,0,0|2,0,0]=4 680 B8R1.2 c1cc(cnc1)NN PB18886 [1,1,0,0,0,0|2,0,0]=4 681 B8R1.2 c1cc(nnc1)CCl PB28814 [1,1,0,0,0,0|2,0,0]=4 682 B8R1.2 c1cc(nnc1)CN PB29341 [1,1,0,0,0,0|2,0,0]=4 683 B8R1.2 c1cc(nnc1)CO PB30818 [1,1,0,0,0,0|2,0,0]=4 684 B8R1.2 c1ccnc(c1)C=O AB00680 [1,1,0,0,0,0|1,0,1]=4 685 B8R1.2 c1ccnc(c1)CBr MB02148 [1,1,0,0,0,0|1,0,0]=3 686 B8R1.2 c1ccnc(c1)CCl AB22495 [1,1,0,0,0,0|1,0,0]=3 687 B8R1.2 c1ccnc(c1)CN AB00731 [1,1,0,0,0,0|1,0,0]=3 688 B8R1.2 c1cnc(cn1)C#N AB02102 [1,1,0,0,0,0|0,0,1]=3 689 B8R1.2 c1cnc(cn1)C=O PB19982 [1,1,0,0,0,0|0,0,1]=3 690 B8R1.2 c1cnc(cn1)CCl PB20483 [1,1,0,0,0,0|0,0,0]=2 691 B8R1.2 c1cnc(cn1)CN PB14180 [1,1,0,0,0,0|0,0,0]=2 692 B8R1.2 c1cnc(cn1)CO PB21779 [1,1,0,0,0,0|0,0,0]=2 693 B8R1.2 c1cnc(cn1)NN PB12798 [1,1,0,0,0,0|1,0,0]=3 694 B8R1.2 c1cnc(nc1)CCl PB20403 [1,1,0,0,0,0|2,0,0]=4 695 B8R1.2 c1cnc(nc1)CN CB11589 [1,1,0,0,0,0|2,0,0]=4 696 B8R1.2 c1cnc(nc1)CN PB23443 [1,1,0,0,0,0|2,0,0]=4 697 B8R1.2 c1cnc(nc1)CO PB12410 [1,1,0,0,0,0|2,0,0]=4 698 B8R1.2 c1cncnc1CCl AB58895 [1,1,0,0,0,0|2,0,0]=4 699 B8R1.2 c1cncnc1CN PB10439 [1,1,0,0,0,0|2,0,0]=4 700 B8R1.2 c1cncnc1CO PB12296 [1,1,0,0,0,0|2,0,0]=4 701 B8R1.2 c1cnncc1CN PB31361 [1,1,0,0,0,0|2,0,0]=4 702 B8R1.2 c1cnncc1CO PB26178 [1,1,0,0,0,0|2,0,0]=4 703 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [1,1,0,0,0,0|2,0,0]=4 704 B8R1.3 Cc1ccc(cn1)Br AB06624 [1,1,0,0,0,0|1,0,0]=3 705 B8R1.3 Cc1ccc(cn1)Cl AB17956 [1,1,0,0,0,0|1,0,0]=3 706 B8R1.3 Cc1ccc(cn1)F PB18589 [1,1,0,0,0,0|1,0,0]=3 707 B8R1.3 Cc1ccc(cn1)N PB32227 [1,1,0,0,0,0|1,0,0]=3 708 B8R1.3 Cc1ccc(cn1)O PB30543 [1,1,0,0,0,0|1,0,0]=3 709 B8R1.3 Cc1ccc(nc1)Br PB17145 [1,1,0,0,0,0|1,0,0]=3 710 B8R1.3 Cc1ccc(nc1)Cl AB07104 [1,1,0,0,0,0|1,0,0]=3 711 B8R1.3 Cc1ccc(nc1)F AB01857 [1,1,0,0,0,0|1,0,0]=3 712 B8R1.3 Cc1ccc(nc1)N AB17938 [1,1,0,0,0,0|1,0,0]=3 713 B8R1.3 Cc1ccc(nc1)O AB13138 [1,1,0,0,0,0|1,0,0]=3 714 B8R1.3 Cc1ccc(nn1)Br PB26503 [1,1,0,0,0,0|2,0,0]=4 715 B8R1.3 Cc1ccc(nn1)Cl PB20885 [1,1,0,0,0,0|2,0,0]=4 716 B8R1.3 Cc1ccc(nn1)I PB11607 [1,1,0,0,0,0|2,0,0]=4 717 B8R1.3 Cc1ccc(nn1)N PB33947 [1,1,0,0,0,0|2,0,0]=4 718 B8R1.3 Cc1cnc(cn1)Br PB27954 [1,1,0,0,0,0|0,0,0]=2 719 B8R1.3 Cc1cnc(cn1)Cl AB02272 [1,1,0,0,0,0|0,0,0]=2 720 B8R1.3 Cc1cnc(cn1)N PB32613 [1,1,0,0,0,0|0,0,0]=2 721 B8R1.3 Cc1cnc(nc1)Cl PB25116 [1,1,0,0,0,0|2,0,0]=4 722 B8R1.3 Cc1cnc(nc1)N AB06143 [1,1,0,0,0,0|2,0,0]=4 723 B8R1.3 Cc1ncc(cn1)Br PB18804 [1,1,0,0,0,0|2,0,0]=4 724 B8R1.3 Cc1ncc(cn1)Cl AB56396 [1,1,0,0,0,0|2,0,0]=4 725 B8R1.3 Cc1ncc(cn1)N PB10666 [1,1,0,0,0,0|2,0,0]=4 726 B8R1.3 Cc1ncc(cn1)O AB54467 [1,1,0,0,0,0|2,0,0]=4 727 B8R1.3 c1c(ncc(n1)Br)Br PB17488 [1,1,0,0,0,0|1,0,0]=3 728 B8R1.3 c1c(ncc(n1)Br)Cl PB26374 [1,1,0,0,0,0|1,0,0]=3 729 B8R1.3 c1c(ncc(n1)Br)F MB14114 [1,1,0,0,0,0|1,0,0]=3 730 B8R1.3 c1c(ncc(n1)Br)N PB26019 [1,1,0,0,0,0|1,0,0]=3 731 B8R1.3 c1c(ncc(n1)Br)O PB26179 [1,1,0,0,0,0|1,0,0]=3 732 B8R1.3 c1c(ncc(n1)Cl)Cl PB21866 [1,1,0,0,0,0|1,0,0]=3 733 B8R1.3 c1c(ncc(n1)Cl)F AB50800 [1,1,0,0,0,0|1,0,0]=3 734 B8R1.3 c1c(ncc(n1)Cl)N PB14352 [1,1,0,0,0,0|1,0,0]=3 735 B8R1.3 c1c(ncc(n1)Cl)O MB09316 [1,1,0,0,0,0|1,0,0]=3 736 B8R1.3 c1c(ncc(n1)F)F AB85705 [1,1,0,0,0,0|1,0,0]=3 737 B8R1.3 c1c(ncc(n1)I)Br PB27853 [1,1,0,0,0,0|1,0,0]=3 738 B8R1.3 c1c(ncc(n1)I)Cl AB54777 [1,1,0,0,0,0|1,0,0]=3 739 B8R1.3 c1c(ncc(n1)N)N AB53076 [1,1,0,0,0,0|1,0,0]=3 740 B8R1.3 c1c(ncc(n1)O)O AB44015 [1,1,0,0,0,0|1,0,0]=3 741 B8R1.3 c1c(nnc(n1)Cl)Br AB72404 [1,1,0,0,0,0|2,0,0]=4 742 B8R1.3 c1c(nnc(n1)Cl)Cl AB85254 [1,1,0,0,0,0|2,0,0]=4 743 B8R1.3 c1c(nnc(n1)N)Br AB71547 [1,1,0,0,0,0|2,0,0]=4 744 B8R1.3 c1cc(ncc1Br)Br AB00634 [1,1,0,0,0,0|2,0,0]=4 745 B8R1.3 c1cc(ncc1Br)Cl AB08767 [1,1,0,0,0,0|2,0,0]=4 746 B8R1.3 c1cc(ncc1Br)F PB30707 [1,1,0,0,0,0|2,0,0]=4 747 B8R1.3 c1cc(ncc1Br)N PB30536 [1,1,0,0,0,0|2,0,0]=4 748 B8R1.3 c1cc(ncc1Br)O AB05097 [1,1,0,0,0,0|2,0,0]=4 749 B8R1.3 c1cc(ncc1Br)S AB51097 [1,1,0,0,0,0|2,0,0]=4 750 B8R1.3 c1cc(ncc1Cl)Br AB05069 [1,1,0,0,0,0|2,0,0]=4 751 B8R1.3 c1cc(ncc1Cl)Cl AB00654 [1,1,0,0,0,0|2,0,0]=4 752 B8R1.3 c1cc(ncc1Cl)F AB17577 [1,1,0,0,0,0|2,0,0]=4 753 B8R1.3 c1cc(ncc1Cl)I AB32114 [1,1,0,0,0,0|2,0,0]=4 754 B8R1.3 c1cc(ncc1Cl)N AB00712 [1,1,0,0,0,0|2,0,0]=4 755 B8R1.3 c1cc(ncc1F)Br PB17160 [1,1,0,0,0,0|2,0,0]=4 756 B8R1.3 c1cc(ncc1F)I AB42989 [1,1,0,0,0,0|2,0,0]=4 757 B8R1.3 c1cc(ncc1F)N AB10107 [1,1,0,0,0,0|2,0,0]=4 758 B8R1.3 c1cc(ncc1I)Br PB14333 [1,1,0,0,0,0|2,0,0]=4 759 B8R1.3 c1cc(ncc1I)Cl AB10394 [1,1,0,0,0,0|2,0,0]=4 760 B8R1.3 c1cc(ncc1I)N PB25985 [1,1,0,0,0,0|2,0,0]=4 761 B8R1.3 c1cc(ncc1I)O AB05112 [1,1,0,0,0,0|2,0,0]=4 762 B8R1.3 c1cc(ncc1N)Br PB17224 [1,1,0,0,0,0|2,0,0]=4 763 B8R1.3 c1cc(ncc1N)Cl AB00661 [1,1,0,0,0,0|2,0,0]=4 764 B8R1.3 c1cc(ncc1N)F PB33962 [1,1,0,0,0,0|2,0,0]=4 765 B8R1.3 c1cc(ncc1N)O AB15078 [1,1,0,0,0,0|2,0,0]=4 766 B8R1.3 c1cc(ncc1O)Br PB15771 [1,1,0,0,0,0|2,0,0]=4 767 B8R1.3 c1cc(ncc1O)Cl PB32188 [1,1,0,0,0,0|2,0,0]=4 768 B8R1.3 c1cc(ncc1O)F AB08123 [1,1,0,0,0,0|2,0,0]=4 769 B8R1.3 c1cc(ncc1O)I AB50021 [1,1,0,0,0,0|2,0,0]=4 770 B8R1.3 c1cc(ncc1O)N AB15563 [1,1,0,0,0,0|2,0,0]=4 771 B8R1.4 Cc1cc(ccn1)Br AB17599 [1,1,0,0,0,0|1,0,0]=3 772 B8R1.4 Cc1cc(ccn1)Br PB26077 [1,1,0,0,0,0|1,0,0]=3 773 B8R1.4 Cc1cc(ccn1)Cl AB01756 [1,1,0,0,0,0|1,0,0]=3 774 B8R1.4 Cc1cc(ccn1)F AB17919 [1,1,0,0,0,0|1,0,0]=3 775 B8R1.4 Cc1cc(ccn1)O PB24839 [1,1,0,0,0,0|1,0,0]=3 776 B8R1.4 Cc1cc(cnc1)Br AB09597 [1,1,0,0,0,0|1,0,0]=3 777 B8R1.4 Cc1cc(cnc1)Cl AB17994 [1,1,0,0,0,0|1,0,0]=3 778 B8R1.4 Cc1cc(cnc1)F AB13643 [1,1,0,0,0,0|1,0,0]=3 779 B8R1.4 Cc1cc(cnc1)N AB17573 [1,1,0,0,0,0|1,0,0]=3 780 B8R1.4 Cc1cc(cnc1)O MB01362 [1,1,0,0,0,0|1,0,0]=3 781 B8R1.4 Cc1cc(cnn1)N MB11385 [1,1,0,0,0,0|2,0,0]=4 782 B8R1.4 Cc1cc(ncn1)C PB24534 [1,1,0,0,0,0|2,0,0]=4 783 B8R1.4 Cc1cc(ncn1)Cl PB29204 [1,1,0,0,0,0|2,0,0]=4 784 B8R1.4 Cc1cc(ncn1)N PB12118 [1,1,0,0,0,0|2,0,0]=4 785 B8R1.4 Cc1cc(nnc1)Cl PB14716 [1,1,0,0,0,0|2,0,0]=4 786 B8R1.4 Cc1cc(nnc1)N AB61142 [1,1,0,0,0,0|2,0,0]=4 787 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [1,1,0,0,0,0|2,0,0]=4 788 B8R1.4 Cc1cccc(n1)Br AB01812 [1,1,0,0,0,0|1,0,0]=3 789 B8R1.4 Cc1cccc(n1)Cl AB00666 [1,1,0,0,0,0|1,0,0]=3 790 B8R1.4 Cc1cccc(n1)F AB01860 [1,1,0,0,0,0|1,0,0]=3 791 B8R1.4 Cc1cccc(n1)N AB00717 [1,1,0,0,0,0|1,0,0]=3 792 B8R1.4 Cc1cccc(n1)O AB00679 [1,1,0,0,0,0|1,0,0]=3 793 B8R1.4 Cc1cccc(n1)S AB25230 [1,1,0,0,0,0|1,0,0]=3 794 B8R1.4 Cc1ccnc(c1)Br AB03099 [1,1,0,0,0,0|2,0,0]=4 795 B8R1.4 Cc1ccnc(c1)Cl PB10051 [1,1,0,0,0,0|2,0,0]=4 796 B8R1.4 Cc1ccnc(c1)F AB01854 [1,1,0,0,0,0|2,0,0]=4 797 B8R1.4 Cc1ccnc(c1)N AB00703 [1,1,0,0,0,0|2,0,0]=4 798 B8R1.4 Cc1ccnc(c1)O AB03735 [1,1,0,0,0,0|2,0,0]=4 799 B8R1.4 Cc1ccnc(n1)Cl PB14106 [1,1,0,0,0,0|2,0,0]=4 800 B8R1.4 Cc1ccnc(n1)N MB00179 [1,1,0,0,0,0|2,0,0]=4 801 B8R1.4 Cc1cncc(n1)Br AB48617 [1,1,0,0,0,0|0,0,0]=2 802 B8R1.4 Cc1cncc(n1)Cl AB02267 [1,1,0,0,0,0|0,0,0]=2 803 B8R1.4 Cc1cncc(n1)N AB43812 [1,1,0,0,0,0|0,0,0]=2 804 B8R1.4 Cc1cnnc(n1)Cl AB85248 [1,1,0,0,0,0|1,0,0]=3 805 B8R1.4 Cc1nc(cnn1)Cl AB66817 [1,1,0,0,0,0|1,0,0]=3 806 B8R1.4 Cc1nccc(n1)Cl PB30633 [1,1,0,0,0,0|2,0,0]=4 807 B8R1.4 Cc1nccc(n1)N AB06587 [1,1,0,0,0,0|2,0,0]=4 808 B8R1.4 c1c(cncc1Br)Br AB01172 [1,1,0,0,0,0|2,0,0]=4 809 B8R1.4 c1c(cncc1Br)Cl AB18001 [1,1,0,0,0,0|2,0,0]=4 810 B8R1.4 c1c(cncc1Br)N PB12251 [1,1,0,0,0,0|2,0,0]=4 811 B8R1.4 c1c(cncc1Br)O PB30658 [1,1,0,0,0,0|2,0,0]=4 812 B8R1.4 c1c(cncc1Cl)Cl AB00743 [1,1,0,0,0,0|2,0,0]=4 813 B8R1.4 c1c(cncc1Cl)F AB21896 [1,1,0,0,0,0|2,0,0]=4 814 B8R1.4 c1c(cncc1Cl)N AB15758 [1,1,0,0,0,0|2,0,0]=4 815 B8R1.4 c1c(cncc1F)F AB14383 [1,1,0,0,0,0|2,0,0]=4 816 B8R1.4 c1c(cncc1F)N AB05123 [1,1,0,0,0,0|2,0,0]=4 817 B8R1.4 c1c(cncc1F)O AB13569 [1,1,0,0,0,0|2,0,0]=4 818 B8R1.4 c1c(cncc1I)Br AB13102 [1,1,0,0,0,0|2,0,0]=4 819 B8R1.4 c1c(cncc1I)Cl AB43784 [1,1,0,0,0,0|2,0,0]=4 820 B8R1.4 c1c(cncc1I)F AB45557 [1,1,0,0,0,0|2,0,0]=4 821 B8R1.4 c1c(cncc1I)I PB19957 [1,1,0,0,0,0|2,0,0]=4 822 B8R1.4 c1c(cncc1I)N AB43802 [1,1,0,0,0,0|2,0,0]=4 823 B8R1.4 c1c(cncc1N)N AB07746 [1,1,0,0,0,0|2,0,0]=4 824 B8R1.4 c1c(cncc1O)N AB17983 [1,1,0,0,0,0|2,0,0]=4 825 B8R1.4 c1c(cncc1O)O MB02073 [1,1,0,0,0,0|2,0,0]=4 826 B8R1.4 c1c(nc(cn1)Br)Br AB52791 [1,1,0,0,0,0|1,0,0]=3 827 B8R1.4 c1c(nc(cn1)Br)Cl AB48957 [1,1,0,0,0,0|1,0,0]=3 828 B8R1.4 c1c(nc(cn1)Br)F MB14129 [1,1,0,0,0,0|1,0,0]=3 829 B8R1.4 c1c(nc(cn1)Br)N AB60541 [1,1,0,0,0,0|1,0,0]=3 830 B8R1.4 c1c(nc(cn1)Cl)Cl PB14072 [1,1,0,0,0,0|1,0,0]=3 831 B8R1.4 c1c(nc(cn1)Cl)F MB14158 [1,1,0,0,0,0|1,0,0]=3 832 B8R1.4 c1c(nc(cn1)Cl)N PB12992 [1,1,0,0,0,0|1,0,0]=3 833 B8R1.4 c1c(nc(cn1)Cl)O MB00903 [1,1,0,0,0,0|1,0,0]=3 834 B8R1.4 c1c(nc(nn1)Cl)Cl AB65511 [1,1,0,0,0,0|2,0,0]=4 835 B8R1.4 c1c(nc(nn1)Cl)N AB71508 [1,1,0,0,0,0|2,0,0]=4 836 B8R1.4 c1cc(nc(c1)Br)Br AB00637 [1,1,0,0,0,0|2,0,0]=4 837 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [1,1,0,0,0,0|2,0,0]=4 838 B8R1.4 c1cc(nc(c1)Br)F AB13626 [1,1,0,0,0,0|2,0,0]=4 839 B8R1.4 c1cc(nc(c1)Br)N PB32140 [1,1,0,0,0,0|2,0,0]=4 840 B8R1.4 c1cc(nc(c1)Br)O AB05100 [1,1,0,0,0,0|2,0,0]=4 841 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [1,1,0,0,0,0|2,0,0]=4 842 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [1,1,0,0,0,0|2,0,0]=4 843 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [1,1,0,0,0,0|2,0,0]=4 844 B8R1.4 c1cc(nc(c1)F)N AB17974 [1,1,0,0,0,0|2,0,0]=4 845 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [1,1,0,0,0,0|2,0,0]=4 846 B8R1.4 c1cc(nc(c1)I)I AB31088 [1,1,0,0,0,0|2,0,0]=4 847 B8R1.4 c1cc(nc(c1)I)N AB42508 [1,1,0,0,0,0|2,0,0]=4 848 B8R1.4 c1cnc(cc1Br)Br PB10210 [1,1,0,0,0,0|2,0,0]=4 849 B8R1.4 c1cnc(cc1Br)Cl AB16617 [1,1,0,0,0,0|2,0,0]=4 850 B8R1.4 c1cnc(cc1Br)F AB17567 [1,1,0,0,0,0|2,0,0]=4 851 B8R1.4 c1cnc(cc1Br)I AB31627 [1,1,0,0,0,0|2,0,0]=4 852 B8R1.4 c1cnc(cc1Br)N PB12936 [1,1,0,0,0,0|2,0,0]=4 853 B8R1.4 c1cnc(cc1Cl)Br PB23373 [1,1,0,0,0,0|2,0,0]=4 854 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [1,1,0,0,0,0|2,0,0]=4 855 B8R1.4 c1cnc(cc1Cl)F AB17564 [1,1,0,0,0,0|2,0,0]=4 856 B8R1.4 c1cnc(cc1Cl)N PB32361 [1,1,0,0,0,0|2,0,0]=4 857 B8R1.4 c1cnc(cc1Cl)O AB13188 [1,1,0,0,0,0|2,0,0]=4 858 B8R1.4 c1cnc(cc1F)Br AB50032 [1,1,0,0,0,0|2,0,0]=4 859 B8R1.4 c1cnc(cc1F)Cl AB17349 [1,1,0,0,0,0|2,0,0]=4 860 B8R1.4 c1cnc(cc1F)F PB26122 [1,1,0,0,0,0|2,0,0]=4 861 B8R1.4 c1cnc(cc1F)N AB50025 [1,1,0,0,0,0|2,0,0]=4 862 B8R1.4 c1cnc(cc1I)Br PB29229 [1,1,0,0,0,0|2,0,0]=4 863 B8R1.4 c1cnc(cc1I)Cl PB17253 [1,1,0,0,0,0|2,0,0]=4 864 B8R1.4 c1cnc(cc1I)F PB12274 [1,1,0,0,0,0|2,0,0]=4 865 B8R1.4 c1cnc(cc1I)N PB10642 [1,1,0,0,0,0|2,0,0]=4 866 B8R1.4 c1cnc(cc1N)Br PB30686 [1,1,0,0,0,0|2,0,0]=4 867 B8R1.4 c1cnc(cc1N)Cl PB24583 [1,1,0,0,0,0|2,0,0]=4 868 B8R1.4 c1cnc(cc1N)F PB21208 [1,1,0,0,0,0|2,0,0]=4 869 B8R1.4 c1cnc(cc1N)O PB15716 [1,1,0,0,0,0|2,0,0]=4 870 B8R1.4 c1cnc(cc1O)Br AB05095 [1,1,0,0,0,0|2,0,0]=4 871 B8R1.4 c1cnc(cc1O)Cl AB09576 [1,1,0,0,0,0|2,0,0]=4 872 B8R1.4 c1cnc(cc1O)F AB17930 [1,1,0,0,0,0|2,0,0]=4 873 B8R1.4 c1cnc(cc1O)I MB26582 [1,1,0,0,0,0|2,0,0]=4 874 B8R1.4 c1cnc(cc1O)N AB17934 [1,1,0,0,0,0|2,0,0]=4 875 B8R1.11 CC1=C(N=CC1)C=O AB01496 [0,1,0,0,1,0|0,0,2]=4 876 B8R1.11 CC1=NC=NC1CCl AB76255 [0,1,0,0,1,0|0,0,1]=3 877 B8R1.11 CCn1c(ccn1)N PB15601 [0,1,0,0,1,0|2,0,0]=4 878 B8R1.11 Cc1c(ccs1)C#N AB71665 [0,1,0,0,1,0|1,0,1]=4 879 B8R1.11 Cc1c(ccs1)C=O AB53893 [0,1,0,0,1,0|1,0,1]=4 880 B8R1.11 Cc1c(ccs1)CCl AB76281 [0,1,0,0,1,0|1,0,0]=3 881 B8R1.11 Cc1c(con1)CN MB06775 [0,1,0,0,1,0|1,0,0]=3 882 B8R1.11 Cc1c(nco1)C=O AB62633 [0,1,0,0,1,0|1,0,1]=4 883 B8R1.11 Cc1c(nco1)CCl AB71571 [0,1,0,0,1,0|1,0,0]=3 884 B8R1.11 Cc1c(nco1)CN AB68727 [0,1,0,0,1,0|1,0,0]=3 885 B8R1.11 Cc1c(ncs1)C#N AB76587 [0,1,0,0,1,0|1,0,1]=4 886 B8R1.11 Cc1c(ncs1)C=O AB62627 [0,1,0,0,1,0|1,0,1]=4 887 B8R1.11 Cc1c(ncs1)CCl AB76286 [0,1,0,0,1,0|1,0,0]=3 888 B8R1.11 Cc1c(ncs1)CO AB44114 [0,1,0,0,1,0|1,0,0]=3 889 B8R1.11 Cc1c(non1)CN AB28419 [0,1,0,0,1,0|1,0,0]=3 890 B8R1.11 Cc1c(ocn1)CCl MB08890 [0,1,0,0,1,0|1,0,0]=3 891 B8R1.11 Cc1c(ocn1)CO MB03682 [0,1,0,0,1,0|1,0,0]=3 892 B8R1.11 Cc1c(scn1)C=O CB10986 [0,1,0,0,1,0|1,0,1]=4 893 B8R1.11 Cc1c(scn1)CCl AB43190 [0,1,0,0,1,0|1,0,0]=3 894 B8R1.11 Cc1c(scn1)CN AB43198 [0,1,0,0,1,0|1,0,0]=3 895 B8R1.11 Cn1c(ccn1)C#N PB25151 [0,1,0,0,1,0|1,0,1]=4 896 B8R1.11 Cn1c(ccn1)C=O PB21218 [0,1,0,0,1,0|1,0,1]=4 897 B8R1.11 Cn1c(ccn1)CN PB24806 [0,1,0,0,1,0|1,0,0]=3 898 B8R1.11 Cn1c(ccn1)CO PB14601 [0,1,0,0,1,0|1,0,0]=3 899 B8R1.11 Cn1c(cnn1)CCl AB69595 [0,1,0,0,1,0|2,0,0]=4 900 B8R1.11 Cn1c(cnn1)CN AB57111 [0,1,0,0,1,0|2,0,0]=4 901 B8R1.11 Cn1c(ncn1)CCl MB07932 [0,1,0,0,1,0|1,0,0]=3 902 B8R1.11 Cn1c(ncn1)CN AB25054 [0,1,0,0,1,0|1,0,0]=3 903 B8R1.11 Cn1c(ncn1)CO AB27921 [0,1,0,0,1,0|1,0,0]=3 904 B8R1.11 Cn1ccnc1C#N PB34281 [0,1,0,0,1,0|1,0,1]=4 905 B8R1.11 Cn1ccnc1C=O PB12922 [0,1,0,0,1,0|1,0,1]=4 906 B8R1.11 Cn1ccnc1CN MB07317 [0,1,0,0,1,0|1,0,0]=3 907 B8R1.11 Cn1ccnc1CN PB30844 [0,1,0,0,1,0|1,0,0]=3 908 B8R1.11 Cn1cnnc1CCl AB69765 [0,1,0,0,1,0|2,0,0]=4 909 B8R1.11 Cn1cnnc1CN AB53790 [0,1,0,0,1,0|2,0,0]=4 910 B8R1.11 Cn1cnnc1CO AB69764 [0,1,0,0,1,0|2,0,0]=4 911 B8R1.11 Cn1cnnc1SC AB20821 [0,1,0,0,1,0|2,0,0]=4 912 B8R1.11 c1csc(c1Br)CN PB34113 [0,1,0,0,1,0|2,0,0]=4 913 B8R1.11 c1csc(c1Br)CO PB27714 [0,1,0,0,1,0|2,0,0]=4 914 B8R1.11 c1csc(c1CBr)Br PB14291 [0,1,0,0,1,0|2,0,0]=4 915 B8R1.11 c1csc(c1Cl)CN PB11803 [0,1,0,0,1,0|2,0,0]=4 916 B8R1.11 c1csc(c1Cl)CO PB23440 [0,1,0,0,1,0|2,0,0]=4 917 B8R1.18 CC1=NC(=NC1Br)Br AB11303 [0,1,0,0,1,0|1,0,1]=4 918 B8R1.18 CC1=NC(=NC1Cl)C AB58139 [0,1,0,0,1,0|1,0,1]=4 919 B8R1.18 CC1=NC(=NC1I)I AB11305 [0,1,0,0,1,0|1,0,1]=4 920 B8R1.18 CC1C(=NC(=N1)Cl)C AB54802 [0,1,0,0,1,0|0,0,1]=3 921 B8R1.18 CC1C(=NC(=N1)N)C AB54790 [0,1,0,0,1,0|0,0,1]=3 922 B8R1.18 Cc1c(cc(s1)Br)Br MB04800 [0,1,0,0,1,0|2,0,0]=4 923 B8R1.18 Cc1c(cn(n1)C)Br PB23204 [0,1,0,0,1,0|2,0,0]=4 924 B8R1.18 Cc1c(cn(n1)C)N AB10629 [0,1,0,0,1,0|2,0,0]=4 925 B8R1.18 Cc1c(cn(n1)C)N PB34221 [0,1,0,0,1,0|2,0,0]=4 926 B8R1.18 Cc1c(nn(n1)C)Br MB14575 [0,1,0,0,1,0|2,0,0]=4 927 B8R1.18 Cc1c(oc(n1)N)C AB25421 [0,1,0,0,1,0|1,0,0]=3 928 B8R1.18 Cc1cc(n(n1)C)Br PB11837 [0,1,0,0,1,0|2,0,0]=4 929 B8R1.18 Cc1cc(n(n1)C)N AB02131 [0,1,0,0,1,0|2,0,0]=4 930 B8R1.18 Cc1cn(c(n1)Br)C AB26588 [0,1,0,0,1,0|2,0,0]=4 931 B8R1.18 Cc1nc(cn1C)Br AB26584 [0,1,0,0,1,0|1,0,0]=3 932 B8R1.18 Cn1c(cc(n1)Cl)N PB30426 [0,1,0,0,1,0|2,0,0]=4 933 B8R1.18 Cn1cc(nc1Br)Br AB26596 [0,1,0,0,1,0|2,0,0]=4 934 B8R1.50 CC1C(=C(N=N1)N)C AB44284 [0,1,0,0,1,0|1,0,1]=4 935 B8R1.50 Cc1c(c(on1)C)Br PB14113 [0,1,0,0,1,0|2,0,0]=4 936 B8R1.50 Cc1c(c(on1)C)I AB04361 [0,1,0,0,1,0|2,0,0]=4 937 B8R1.50 Cc1c(cnn1C)Br AB51571 [0,1,0,0,1,0|1,0,0]=3 938 B8R1.50 Cc1c(nnn1C)Br MB03747 [0,1,0,0,1,0|2,0,0]=4 939 B8R1.50 Cc1cnc(n1C)Br AB26586 [0,1,0,0,1,0|2,0,0]=4 940 B8R1.50 Cc1cnn(c1Br)C AB84867 [0,1,0,0,1,0|2,0,0]=4 941 B8R1.50 Cc1ncc(n1C)Br AB26592 [0,1,0,0,1,0|1,0,0]=3 942 B8R1.50 Cc1nnc(n1C)C AB07353 [0,1,0,0,1,0|2,0,0]=4 943 B8R1.50 Cn1c(cnc1Br)Br AB09505 [0,1,0,0,1,0|2,0,0]=4 944 B8R1.50 Cn1c(cnc1I)I PB10221 [0,1,0,0,1,0|2,0,0]=4 945 B10R1.2 CCc1cccc(c1C)O MB24030 [0,2,0,0,0,0|2,0,0]=4 946 B10R1.2 COc1c(c(ccn1)Br)F AB71080 [0,2,0,0,0,0|2,0,0]=4 947 B10R1.2 COc1c(c(ccn1)Cl)N AB71673 [0,2,0,0,0,0|2,0,0]=4 948 B10R1.2 COc1c(c(ccn1)Cl)O AB75738 [0,2,0,0,0,0|2,0,0]=4 949 B10R1.2 COc1c(c(ccn1)I)F AB71332 [0,2,0,0,0,0|2,0,0]=4 950 B10R1.2 COc1c(c(ccn1)N)Br PB32978 [0,2,0,0,0,0|2,0,0]=4 951 B10R1.2 COc1c(c(ccn1)N)Cl AB65262 [0,2,0,0,0,0|2,0,0]=4 952 B10R1.2 COc1c(c(ccn1)N)F AB70892 [0,2,0,0,0,0|2,0,0]=4 953 B10R1.2 COc1c(c(ccn1)N)N AB56399 [0,2,0,0,0,0|2,0,0]=4 954 B10R1.2 COc1c(c(ccn1)O)Cl AB71177 [0,2,0,0,0,0|2,0,0]=4 955 B10R1.2 Cc1c(c(ccn1)C=O)Cl AB71247 [0,2,0,0,0,0|2,0,0]=4 956 B10R1.2 Cc1c(c(ccn1)C=O)N AB70908 [0,2,0,0,0,0|2,0,0]=4 957 B10R1.2 Cc1c(c(ccn1)C=O)O AB24800 [0,2,0,0,0,0|2,0,0]=4 958 B10R1.2 Cc1c(c(ccn1)CCl)Cl AB71122 [0,2,0,0,0,0|2,0,0]=4 959 B10R1.2 Cc1c(c(ccn1)CN)Cl AB75137 [0,2,0,0,0,0|2,0,0]=4 960 B10R1.2 Cc1c(cccc1O)NC MB37053 [0,2,0,0,0,0|2,0,0]=4 961 B10R1.2 Cc1c(cccc1OC)O MB09432 [0,2,0,0,0,0|2,0,0]=4 962 B10R1.2 Cc1c(cccc1SC)O MB35924 [0,2,0,0,0,0|2,0,0]=4 963 B10R1.2 Cc1c(ccnc1C#N)Br AB40724 [0,2,0,0,0,0|1,0,1]=4 964 B10R1.2 Cc1c(ccnc1C#N)Cl AB40716 [0,2,0,0,0,0|1,0,1]=4 965 B10R1.2 Cc1c(ccnc1C=O)Br AB40731 [0,2,0,0,0,0|1,0,1]=4 966 B10R1.2 Cc1c(ccnc1C=O)Cl AB40720 [0,2,0,0,0,0|1,0,1]=4 967 B10R1.2 Cc1c(ccnc1C=O)F AB82923 [0,2,0,0,0,0|1,0,1]=4 968 B10R1.2 Cc1c(ccnc1CCl)Cl AB75387 [0,2,0,0,0,0|1,0,0]=3 969 B10R1.2 Cc1c(ccnc1CCl)F AB82925 [0,2,0,0,0,0|1,0,0]=3 970 B10R1.2 Cc1c(ccnc1CN)Br AB40727 [0,2,0,0,0,0|1,0,0]=3 971 B10R1.2 Cc1c(ccnc1CN)Cl AB40719 [0,2,0,0,0,0|1,0,0]=3 972 B10R1.2 Cc1c(ccnc1CN)F AB82928 [0,2,0,0,0,0|1,0,0]=3 973 B10R1.2 Cc1c(ccnc1CO)Br AB53756 [0,2,0,0,0,0|1,0,0]=3 974 B10R1.2 Cc1c(ccnc1Cl)C=O AB55074 [0,2,0,0,0,0|2,0,0]=4 975 B10R1.2 Cc1c(ccnc1Cl)CCl AB71116 [0,2,0,0,0,0|2,0,0]=4 976 B10R1.2 Cc1c(ccnc1Cl)CN AB72647 [0,2,0,0,0,0|2,0,0]=4 977 B10R1.2 Cc1c(ccnc1F)C=O AB71343 [0,2,0,0,0,0|2,0,0]=4 978 B10R1.2 Cc1c(ccnc1F)CCl AB71238 [0,2,0,0,0,0|2,0,0]=4 979 B10R1.2 Cc1c(ccnc1F)CN AB82854 [0,2,0,0,0,0|2,0,0]=4 980 B10R1.2 Cc1c(nccc1C=O)C AB62887 [0,2,0,0,0,0|1,0,0]=3 981 B10R1.2 Cc1c(nccc1CCl)C AB75402 [0,2,0,0,0,0|1,0,0]=3 982 B10R1.2 Cc1c(nccc1CN)C AB75354 [0,2,0,0,0,0|1,0,0]=3 983 B10R1.2 Cc1c(nccc1CO)C AB62891 [0,2,0,0,0,0|1,0,0]=3 984 B10R1.2 Cc1ccnc(c1Br)OC PB25008 [0,2,0,0,0,0|2,0,0]=4 985 B10R1.2 Cc1ccnc(c1C)C=O AB66597 [0,2,0,0,0,0|1,0,1]=4 986 B10R1.2 Cc1ccnc(c1C)CCl AB49318 [0,2,0,0,0,0|1,0,0]=3 987 B10R1.2 Cc1ccnc(c1C)CN AB76790 [0,2,0,0,0,0|1,0,0]=3 988 B10R1.2 Cc1ccnc(c1Cl)CCl AB83300 [0,2,0,0,0,0|2,0,0]=4 989 B10R1.2 Cc1ccnc(c1Cl)CN AB83302 [0,2,0,0,0,0|2,0,0]=4 990 B10R1.2 c1cnc(c(c1Cl)F)CCl AB70769 [0,2,0,0,0,0|2,0,0]=4 991 B10R1.2 c1cnc(c(c1Cl)F)CN AB70770 [0,2,0,0,0,0|2,0,0]=4 992 B10R1.2 c1cnc(c(c1Cl)O)CCl AB83984 [0,2,0,0,0,0|2,0,0]=4 993 B10R1.2 c1cnc(c(c1Cl)O)CN AB76801 [0,2,0,0,0,0|2,0,0]=4 994 B10R1.2 c1cnc(c(c1F)Cl)CCl AB83006 [0,2,0,0,0,0|2,0,0]=4 995 B10R1.2 c1cnc(c(c1F)Cl)CN AB83007 [0,2,0,0,0,0|2,0,0]=4 996 B10R1.2 c1cnc(c(c1N)Cl)CN AB83927 [0,2,0,0,0,0|2,0,0]=4 997 B10R1.2 c1cnc(c(c1O)Cl)CCl AB84054 [0,2,0,0,0,0|2,0,0]=4 998 B10R1.2 c1cnc(c(c1O)Cl)CN AB84056 [0,2,0,0,0,0|2,0,0]=4 999 B10R1.22 Cc1cc(nc(c1C)C)Br AB82584 [0,2,0,0,0,0|1,0,0]=3 1000 B10R1.22 Cc1cc(nc(c1C)C)N AB76138 [0,2,0,0,0,0|1,0,0]=3 1001 B10R1.22 Cc1cc(nc(c1C)C)O AB82587 [0,2,0,0,0,0|1,0,0]=3 1002 B10R1.22 Cc1cc(nc(c1C)O)O AB21779 [0,2,0,0,0,0|2,0,0]=4 1003 B10R1.245 CCc1c(cccc1O)C MB23554 [0,2,0,0,0,0|2,0,0]=4 1004 B10R1.245 Cc1c(c(ccn1)Br)C=O AB66858 [0,2,0,0,0,0|1,0,1]=4 1005 B10R1.245 Cc1c(c(ccn1)Cl)C=O AB66851 [0,2,0,0,0,0|1,0,1]=4 1006 B10R1.245 Cc1c(c(ccn1)Cl)CCl AB83333 [0,2,0,0,0,0|1,0,0]=3 1007 B10R1.245 Cc1c(c(ccn1)Cl)CN AB83336 [0,2,0,0,0,0|1,0,0]=3 1008 B10R1.245 Cc1c(c(ccn1)Cl)OC PB19448 [0,2,0,0,0,0|1,0,0]=3 1009 B10R1.245 Cc1c(c(ccn1)F)C=O AB68033 [0,2,0,0,0,0|1,0,1]=4 1010 B10R1.245 Cc1c(c(ccn1)F)CCl AB83019 [0,2,0,0,0,0|1,0,0]=3 1011 B10R1.245 Cc1c(c(ccn1)F)CN AB83020 [0,2,0,0,0,0|1,0,0]=3 1012 B10R1.245 Cc1c(c(ccn1)N)C=O AB68110 [0,2,0,0,0,0|1,0,1]=4 1013 B10R1.245 Cc1c(c(ccn1)O)C=O AB84477 [0,2,0,0,0,0|1,0,1]=4 1014 B10R1.245 Cc1cccc(c1CCl)C AB08451 [0,2,0,0,0,0|2,0,0]=4 1015 B10R1.245 Cc1cccc(c1CN)O MB25667 [0,2,0,0,0,0|2,0,0]=4 1016 B10R1.245 Cc1cccc(c1CO)C AB03562 [0,2,0,0,0,0|2,0,0]=4 1017 B10R1.245 Cc1cccc(c1OC)O MB33579 [0,2,0,0,0,0|2,0,0]=4 1018 B10R1.245 Cc1cccc(c1SC)O MB08534 [0,2,0,0,0,0|2,0,0]=4 1019 B10R1.245 Cc1ccnc(c1C=O)C AB63129 [0,2,0,0,0,0|1,0,1]=4 1020 B10R1.245 Cc1ccnc(c1CCl)C AB75399 [0,2,0,0,0,0|1,0,0]=3 1021 B10R1.245 Cc1ccnc(c1CCl)Cl AB71112 [0,2,0,0,0,0|2,0,0]=4 1022 B10R1.245 Cc1ccnc(c1CCl)F AB71236 [0,2,0,0,0,0|2,0,0]=4 1023 B10R1.245 Cc1ccnc(c1CN)C AB75357 [0,2,0,0,0,0|1,0,0]=3 1024 B10R1.245 Cc1ccnc(c1CN)Cl AB74563 [0,2,0,0,0,0|2,0,0]=4 1025 B10R1.245 Cc1ccnc(c1CN)F AB83056 [0,2,0,0,0,0|2,0,0]=4 1026 B10R1.245 c1cnc(c(c1Cl)CCl)F AB83202 [0,2,0,0,0,0|2,0,0]=4 1027 B10R1.245 c1cnc(c(c1Cl)CN)F AB83203 [0,2,0,0,0,0|2,0,0]=4 1028 B10R1.4 CCOc1c(cccn1)Br AB05207 [0,2,0,0,0,0|2,0,0]=4 1029 B10R1.4 CCOc1c(cccn1)I AB05213 [0,2,0,0,0,0|2,0,0]=4 1030 B10R1.4 CNCc1c(cccn1)F PB12566 [0,2,0,0,0,0|2,0,0]=4 1031 B10R1.4 CNCc1cccnc1Cl AB53845 [0,2,0,0,0,0|2,0,0]=4 1032 B10R1.4 Cc1c(cccn1)CCN AB66943 [0,2,0,0,0,0|1,0,0]=3 1033 B10R1.4 Cc1c(cccn1)CNC AB66889 [0,2,0,0,0,0|1,0,0]=3 1034 B10R1.4 Cc1ccccc1CC=O AB11813 [0,2,0,0,0,0|2,0,0]=4 1035 B10R1.4 Cc1cccnc1CCN AB31462 [0,2,0,0,0,0|1,0,0]=3 1036 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [0,2,0,0,0,0|2,0,0]=4 1037 B10R1.4 c1cc(c(nc1)CC#N)Br PB13243 [0,2,0,0,0,0|2,0,0]=4 1038 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [0,2,0,0,0,0|2,0,0]=4 1039 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [0,2,0,0,0,0|2,0,0]=4 1040 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [0,2,0,0,0,0|2,0,0]=4 1041 B10R1.4 c1cc(c(nc1)Cl)CC#N PB13101 [0,2,0,0,0,0|2,0,0]=4 1042 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [0,2,0,0,0,0|2,0,0]=4 1043 B10R1.4 c1cnc(c(n1)CC#N)Cl PB11137 [0,2,0,0,0,0|1,0,0]=3 1044 B10R1.20 COc1c(cccn1)C#C AB69070 [0,2,0,0,0,0|1,0,1]=4 1045 B10R1.20 COc1c(cccn1)C#N PB30871 [0,2,0,0,0,0|1,0,1]=4 1046 B10R1.20 COc1c(cccn1)C=O PB26137 [0,2,0,0,0,0|1,0,1]=4 1047 B10R1.20 COc1c(cccn1)CCl AB54482 [0,2,0,0,0,0|1,0,0]=3 1048 B10R1.20 COc1c(cccn1)CN PB10680 [0,2,0,0,0,0|1,0,0]=3 1049 B10R1.20 COc1c(cccn1)CN PB15194 [0,2,0,0,0,0|1,0,0]=3 1050 B10R1.20 COc1c(cccn1)CO PB20446 [0,2,0,0,0,0|1,0,0]=3 1051 B10R1.20 COc1c(nccn1)C#N AB22503 [0,2,0,0,0,0|0,0,1]=3 1052 B10R1.20 COc1c(nccn1)C=O AB55611 [0,2,0,0,0,0|0,0,1]=3 1053 B10R1.20 COc1c(nncn1)CN PB39100 [0,2,0,0,0,0|1,0,0]=3 1054 B10R1.20 COc1cccnc1C#N AB40617 [0,2,0,0,0,0|1,0,1]=4 1055 B10R1.20 COc1cccnc1C=O AB22246 [0,2,0,0,0,0|1,0,1]=4 1056 B10R1.20 COc1cccnc1CCl AB60052 [0,2,0,0,0,0|1,0,0]=3 1057 B10R1.20 COc1cccnc1CN AB40619 [0,2,0,0,0,0|1,0,0]=3 1058 B10R1.20 COc1cccnc1CO MB05449 [0,2,0,0,0,0|1,0,0]=3 1059 B10R1.20 COc1cccnc1OC AB13430 [0,2,0,0,0,0|1,0,0]=3 1060 B10R1.20 CSc1c(cccn1)C=O MB07044 [0,2,0,0,0,0|1,0,1]=4 1061 B10R1.20 CSc1c(cccn1)CO MB07043 [0,2,0,0,0,0|1,0,0]=3 1062 B10R1.20 c1cc(c(nc1)C#N)CBr MB06806 [0,2,0,0,0,0|1,0,1]=4 1063 B10R1.20 c1cc(c(nc1)C#N)CCl AB60071 [0,2,0,0,0,0|1,0,1]=4 1064 B10R1.20 c1cc(c(nc1)C#N)CN AB67388 [0,2,0,0,0,0|1,0,1]=4 1065 B10R1.20 c1cc(c(nc1)C#N)CO AB31401 [0,2,0,0,0,0|1,0,1]=4 1066 B10R1.20 c1cc(c(nc1)CCl)C#N AB60058 [0,2,0,0,0,0|1,0,1]=4 1067 B10R1.20 c1cc(c(nc1)CCl)C=O AB69680 [0,2,0,0,0,0|1,0,1]=4 1068 B10R1.20 c1cc(c(nc1)CCl)CCl AB60050 [0,2,0,0,0,0|1,0,0]=3 1069 B10R1.20 c1cc(c(nc1)CN)C#N AB67702 [0,2,0,0,0,0|1,0,1]=4 1070 B10R1.20 c1cc(c(nc1)CN)C=O AB31410 [0,2,0,0,0,0|1,0,1]=4 1071 B10R1.20 c1cc(c(nc1)CN)CO AB31405 [0,2,0,0,0,0|1,0,0]=3 1072 B10R1.20 c1cc(c(nc1)CO)CO AB10176 [0,2,0,0,0,0|1,0,0]=3 1073 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [0,2,0,0,0,0|2,0,0]=4 1074 B10R1.25 CCc1ccc(cc1C)O MB23913 [0,2,0,0,0,0|2,0,0]=4 1075 B10R1.25 CCc1ccc(nc1N)C AB03677 [0,2,0,0,0,0|2,0,0]=4 1076 B10R1.25 CNc1c(cc(cn1)Br)N AB40964 [0,2,0,0,0,0|2,0,0]=4 1077 B10R1.25 CNc1c(cc(cn1)Cl)N AB41038 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.25 COc1c(cc(cn1)Br)Cl AB20950 [0,2,0,0,0,0|2,0,0]=4 1079 B10R1.25 COc1c(cc(cn1)Br)F AB17621 [0,2,0,0,0,0|2,0,0]=4 1080 B10R1.25 COc1c(cc(cn1)Br)I AB21850 [0,2,0,0,0,0|2,0,0]=4 1081 B10R1.25 COc1c(cc(cn1)Br)N PB15873 [0,2,0,0,0,0|2,0,0]=4 1082 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [0,2,0,0,0,0|2,0,0]=4 1083 B10R1.25 COc1c(cc(cn1)Cl)Br AB43095 [0,2,0,0,0,0|2,0,0]=4 1084 B10R1.25 COc1c(cc(cn1)Cl)F AB41066 [0,2,0,0,0,0|2,0,0]=4 1085 B10R1.25 COc1c(cc(cn1)Cl)N AB41036 [0,2,0,0,0,0|2,0,0]=4 1086 B10R1.25 COc1c(cc(cn1)F)N AB75363 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.25 COc1c(cc(cn1)N)Cl AB70284 [0,2,0,0,0,0|2,0,0]=4 1088 B10R1.25 COc1c(cc(cn1)N)F AB40818 [0,2,0,0,0,0|2,0,0]=4 1089 B10R1.25 COc1c(cc(cn1)O)Cl AB70289 [0,2,0,0,0,0|2,0,0]=4 1090 B10R1.25 COc1c(cc(cn1)O)F AB70291 [0,2,0,0,0,0|2,0,0]=4 1091 B10R1.25 COc1ccc(nc1Br)N AB26774 [0,2,0,0,0,0|2,0,0]=4 1092 B10R1.25 COc1ccc(nc1Cl)N AB40624 [0,2,0,0,0,0|2,0,0]=4 1093 B10R1.25 CSc1c(cc(cn1)Br)N AB40978 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.25 CSc1c(cc(cn1)Cl)N AB41053 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.25 Cc1c(ccc(n1)Br)C=O AB66856 [0,2,0,0,0,0|1,0,1]=4 1096 B10R1.25 Cc1c(ccc(n1)Br)CCl AB69339 [0,2,0,0,0,0|1,0,0]=3 1097 B10R1.25 Cc1c(ccc(n1)Br)CN AB69340 [0,2,0,0,0,0|1,0,0]=3 1098 B10R1.25 Cc1c(ccc(n1)Cl)C#N AB30550 [0,2,0,0,0,0|1,0,1]=4 1099 B10R1.25 Cc1c(ccc(n1)Cl)C=O AB32133 [0,2,0,0,0,0|1,0,1]=4 1100 B10R1.25 Cc1c(ccc(n1)Cl)CN AB74568 [0,2,0,0,0,0|1,0,0]=3 1101 B10R1.25 Cc1c(ccc(n1)Cl)OC AB63867 [0,2,0,0,0,0|1,0,0]=3 1102 B10R1.25 Cc1c(ccc(n1)N)OC AB53570 [0,2,0,0,0,0|1,0,0]=3 1103 B10R1.25 Cc1c(ccc(n1)O)C#N AB55004 [0,2,0,0,0,0|1,0,1]=4 1104 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [0,2,0,0,0,0|1,0,0]=3 1105 B10R1.25 Cc1c(ncc(n1)Br)C#N AB72506 [0,2,0,0,0,0|0,0,1]=3 1106 B10R1.25 Cc1c(ncc(n1)Br)C=O AB85714 [0,2,0,0,0,0|0,0,1]=3 1107 B10R1.25 Cc1c(ncc(n1)Br)OC AB85717 [0,2,0,0,0,0|0,0,0]=2 1108 B10R1.25 Cc1c(ncc(n1)Cl)C#N AB72505 [0,2,0,0,0,0|0,0,1]=3 1109 B10R1.25 Cc1c(ncc(n1)Cl)C=O AB85687 [0,2,0,0,0,0|0,0,1]=3 1110 B10R1.25 Cc1c(ncc(n1)Cl)CCl AB76483 [0,2,0,0,0,0|0,0,0]=2 1111 B10R1.25 Cc1c(ncc(n1)Cl)CN AB85686 [0,2,0,0,0,0|0,0,0]=2 1112 B10R1.25 Cc1cc(c(nc1)C#N)C AB22974 [0,2,0,0,0,0|1,0,1]=4 1113 B10R1.25 Cc1cc(c(nc1)C=O)C AB53525 [0,2,0,0,0,0|1,0,1]=4 1114 B10R1.25 Cc1cc(c(nc1)CCl)C AB44395 [0,2,0,0,0,0|1,0,0]=3 1115 B10R1.25 Cc1cc(c(nc1)CCl)Cl AB75094 [0,2,0,0,0,0|2,0,0]=4 1116 B10R1.25 Cc1cc(c(nc1)CCl)F AB76356 [0,2,0,0,0,0|2,0,0]=4 1117 B10R1.25 Cc1cc(c(nc1)CN)C AB53521 [0,2,0,0,0,0|1,0,0]=3 1118 B10R1.25 Cc1cc(c(nc1)CN)Cl AB75093 [0,2,0,0,0,0|2,0,0]=4 1119 B10R1.25 Cc1cc(c(nc1)CN)F AB75165 [0,2,0,0,0,0|2,0,0]=4 1120 B10R1.25 Cc1cc(c(nc1)CO)C AB53524 [0,2,0,0,0,0|1,0,0]=3 1121 B10R1.25 Cc1cc(c(nc1)OC)N AB66728 [0,2,0,0,0,0|2,0,0]=4 1122 B10R1.25 Cc1cc(ccc1NC)O MB05083 [0,2,0,0,0,0|2,0,0]=4 1123 B10R1.25 Cc1cc(ccc1OC)O MB07842 [0,2,0,0,0,0|2,0,0]=4 1124 B10R1.25 Cc1cc(cnc1C#N)Br AB65088 [0,2,0,0,0,0|1,0,1]=4 1125 B10R1.25 Cc1cc(cnc1C#N)Cl AB71756 [0,2,0,0,0,0|1,0,1]=4 1126 B10R1.25 Cc1cc(cnc1C#N)N AB41218 [0,2,0,0,0,0|1,0,1]=4 1127 B10R1.25 Cc1cc(cnc1C=O)Br AB42359 [0,2,0,0,0,0|1,0,1]=4 1128 B10R1.25 Cc1cc(cnc1C=O)Cl AB75118 [0,2,0,0,0,0|1,0,1]=4 1129 B10R1.25 Cc1cc(cnc1C=O)F AB74798 [0,2,0,0,0,0|1,0,1]=4 1130 B10R1.25 Cc1cc(cnc1CCl)Cl AB75121 [0,2,0,0,0,0|1,0,0]=3 1131 B10R1.25 Cc1cc(cnc1CCl)F AB74796 [0,2,0,0,0,0|1,0,0]=3 1132 B10R1.25 Cc1cc(cnc1CN)Br AB41237 [0,2,0,0,0,0|1,0,0]=3 1133 B10R1.25 Cc1cc(cnc1CN)Cl AB75120 [0,2,0,0,0,0|1,0,0]=3 1134 B10R1.25 Cc1cc(cnc1CN)F AB41242 [0,2,0,0,0,0|1,0,0]=3 1135 B10R1.25 Cc1cc(cnc1OC)Br AB41223 [0,2,0,0,0,0|1,0,0]=3 1136 B10R1.25 Cc1cc(cnc1OC)Cl AB75754 [0,2,0,0,0,0|1,0,0]=3 1137 B10R1.25 Cc1cc(cnc1OC)N AB20996 [0,2,0,0,0,0|1,0,0]=3 1138 B10R1.25 Cc1ccc(c(n1)Br)CN AB68158 [0,2,0,0,0,0|2,0,0]=4 1139 B10R1.25 Cc1ccc(c(n1)Br)OC AB25427 [0,2,0,0,0,0|2,0,0]=4 1140 B10R1.25 Cc1ccc(c(n1)C)C=O AB13970 [0,2,0,0,0,0|1,0,1]=4 1141 B10R1.25 Cc1ccc(c(n1)Cl)CN AB23323 [0,2,0,0,0,0|2,0,0]=4 1142 B10R1.25 Cc1ccc(c(n1)N)CCl AB76121 [0,2,0,0,0,0|2,0,0]=4 1143 B10R1.25 Cc1cnc(c(n1)C)C=O AB73104 [0,2,0,0,0,0|0,0,1]=3 1144 B10R1.25 Cc1cnc(c(n1)C)CN AB73102 [0,2,0,0,0,0|0,0,0]=2 1145 B10R1.25 Cc1cnc(c(n1)Cl)C#N AB60457 [0,2,0,0,0,0|1,0,1]=4 1146 B10R1.25 c1c(cnc(c1Cl)CCl)F AB70994 [0,2,0,0,0,0|2,0,0]=4 1147 B10R1.25 c1c(cnc(c1Cl)CN)F AB71565 [0,2,0,0,0,0|2,0,0]=4 1148 B10R1.25 c1c(cnc(c1F)CCl)Cl AB70997 [0,2,0,0,0,0|2,0,0]=4 1149 B10R1.25 c1c(cnc(c1F)CN)Br PB24277 [0,2,0,0,0,0|2,0,0]=4 1150 B10R1.25 c1c(cnc(c1F)CN)Cl AB75040 [0,2,0,0,0,0|2,0,0]=4 1151 B10R1.25 c1c(cnc(c1F)CO)Br PB34795 [0,2,0,0,0,0|2,0,0]=4 1152 B10R1.25 c1c(cnc(c1N)CO)Br PB37232 [0,2,0,0,0,0|2,0,0]=4 1153 B10R1.25 c1c(nc(c(n1)C#N)Cl)Cl PB31130 [0,2,0,0,0,0|1,0,1]=4 1154 B10R1.25 c1c(nc(c(n1)C#N)Cl)N AB60469 [0,2,0,0,0,0|1,0,1]=4 1155 B10R1.25 c1c(nc(c(n1)C#N)N)Cl AB60474 [0,2,0,0,0,0|1,0,1]=4 1156 B10R1.25 c1c(nc(c(n1)C=O)Cl)Cl PB10747 [0,2,0,0,0,0|1,0,1]=4 1157 B10R1.25 c1c(nc(c(n1)C=O)N)Br AB72512 [0,2,0,0,0,0|1,0,1]=4 1158 B10R1.25 c1c(nc(c(n1)C=O)N)Cl AB72515 [0,2,0,0,0,0|1,0,1]=4 1159 B10R1.25 c1c(nc(c(n1)CCl)N)Cl AB85693 [0,2,0,0,0,0|1,0,0]=3 1160 B10R1.25 c1cc(nc(c1CCl)Cl)Cl AB31596 [0,2,0,0,0,0|2,0,0]=4 1161 B10R1.25 c1cc(nc(c1CCl)N)Br AB85294 [0,2,0,0,0,0|2,0,0]=4 1162 B10R1.25 c1cc(nc(c1CCl)N)Cl AB71432 [0,2,0,0,0,0|2,0,0]=4 1163 B10R1.25 c1cc(nc(c1CN)Br)Cl AB68220 [0,2,0,0,0,0|2,0,0]=4 1164 B10R1.25 c1cc(nc(c1CN)Cl)Br AB68231 [0,2,0,0,0,0|2,0,0]=4 1165 B10R1.25 c1cc(nc(c1CN)Cl)Cl AB68210 [0,2,0,0,0,0|2,0,0]=4 1166 B10R1.25 c1cc(nc(c1CO)Cl)Cl PB32897 [0,2,0,0,0,0|2,0,0]=4 1167 B10R1.30 CCc1cc(ccc1C)O MB23722 [0,2,0,0,0,0|2,0,0]=4 1168 B10R1.30 CNc1cc(cnc1Cl)Br AB40833 [0,2,0,0,0,0|2,0,0]=4 1169 B10R1.30 CNc1cc(cnc1Cl)Cl AB41028 [0,2,0,0,0,0|2,0,0]=4 1170 B10R1.30 COc1c(ccc(n1)Br)F AB74998 [0,2,0,0,0,0|2,0,0]=4 1171 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [0,2,0,0,0,0|2,0,0]=4 1172 B10R1.30 COc1c(ccc(n1)I)Br AB73529 [0,2,0,0,0,0|2,0,0]=4 1173 B10R1.30 COc1c(ccc(n1)N)F AB76983 [0,2,0,0,0,0|2,0,0]=4 1174 B10R1.30 COc1c(ncc(n1)Br)Br AB54782 [0,2,0,0,0,0|1,0,0]=3 1175 B10R1.30 COc1c(ncc(n1)Br)Cl AB72501 [0,2,0,0,0,0|1,0,0]=3 1176 B10R1.30 COc1c(ncc(n1)Br)N AB44806 [0,2,0,0,0,0|1,0,0]=3 1177 B10R1.30 COc1c(ncc(n1)Cl)N AB64255 [0,2,0,0,0,0|1,0,0]=3 1178 B10R1.30 COc1c(nnc(n1)Cl)Cl AB72424 [0,2,0,0,0,0|2,0,0]=4 1179 B10R1.30 COc1cc(cnc1Cl)Br AB43719 [0,2,0,0,0,0|2,0,0]=4 1180 B10R1.30 COc1cc(cnc1Cl)F AB74801 [0,2,0,0,0,0|2,0,0]=4 1181 B10R1.30 Cc1c(cc(cn1)Cl)C=O AB62434 [0,2,0,0,0,0|1,0,1]=4 1182 B10R1.30 Cc1c(cc(cn1)Cl)CN AB62431 [0,2,0,0,0,0|1,0,0]=3 1183 B10R1.30 Cc1cc(c(nc1)Br)CCl AB71047 [0,2,0,0,0,0|2,0,0]=4 1184 B10R1.30 Cc1cc(c(nc1)C)C=O AB71657 [0,2,0,0,0,0|1,0,1]=4 1185 B10R1.30 Cc1cc(c(nc1)C)CCl AB75394 [0,2,0,0,0,0|1,0,0]=3 1186 B10R1.30 Cc1cc(c(nc1)C)CN AB76781 [0,2,0,0,0,0|1,0,0]=3 1187 B10R1.30 Cc1cc(c(nc1)Cl)CCl AB71113 [0,2,0,0,0,0|2,0,0]=4 1188 B10R1.30 Cc1cc(c(nc1)Cl)CN AB41819 [0,2,0,0,0,0|2,0,0]=4 1189 B10R1.30 Cc1cc(c(nc1)F)CCl AB71237 [0,2,0,0,0,0|2,0,0]=4 1190 B10R1.30 Cc1cc(c(nc1)F)CN AB65158 [0,2,0,0,0,0|2,0,0]=4 1191 B10R1.30 Cc1cc(c(nc1)N)CCl AB70870 [0,2,0,0,0,0|2,0,0]=4 1192 B10R1.30 Cc1ccc(c(n1)CN)Br AB68170 [0,2,0,0,0,0|2,0,0]=4 1193 B10R1.30 Cc1ccc(c(n1)CN)Cl AB68153 [0,2,0,0,0,0|2,0,0]=4 1194 B10R1.30 Cc1ccc(cc1CBr)Cl CB11653 [0,2,0,0,0,0|2,0,0]=4 1195 B10R1.30 Cc1ccc(cc1CN)O MB26411 [0,2,0,0,0,0|2,0,0]=4 1196 B10R1.30 Cc1ccc(cc1NC)O MB36159 [0,2,0,0,0,0|2,0,0]=4 1197 B10R1.30 Cc1ccc(cc1OC)Br MB04159 [0,2,0,0,0,0|2,0,0]=4 1198 B10R1.30 Cc1ccc(cc1OC)O MB25418 [0,2,0,0,0,0|2,0,0]=4 1199 B10R1.30 Cc1ccc(nc1C#N)C AB25377 [0,2,0,0,0,0|1,0,1]=4 1200 B10R1.30 Cc1ccc(nc1C#N)Cl AB71445 [0,2,0,0,0,0|1,0,1]=4 1201 B10R1.30 Cc1ccc(nc1C=O)C AB75403 [0,2,0,0,0,0|1,0,1]=4 1202 B10R1.30 Cc1ccc(nc1C=O)Cl AB75110 [0,2,0,0,0,0|1,0,1]=4 1203 B10R1.30 Cc1ccc(nc1C=O)F AB75170 [0,2,0,0,0,0|1,0,1]=4 1204 B10R1.30 Cc1ccc(nc1CCl)C AB75390 [0,2,0,0,0,0|1,0,0]=3 1205 B10R1.30 Cc1ccc(nc1CCl)Cl AB75115 [0,2,0,0,0,0|1,0,0]=3 1206 B10R1.30 Cc1ccc(nc1CCl)F AB82887 [0,2,0,0,0,0|1,0,0]=3 1207 B10R1.30 Cc1ccc(nc1CN)C AB65466 [0,2,0,0,0,0|1,0,0]=3 1208 B10R1.30 Cc1ccc(nc1CN)Cl AB75112 [0,2,0,0,0,0|1,0,0]=3 1209 B10R1.30 Cc1ccc(nc1CN)F AB82890 [0,2,0,0,0,0|1,0,0]=3 1210 B10R1.30 Cc1cnc(c(n1)C=O)C AB77040 [0,2,0,0,0,0|0,0,1]=3 1211 B10R1.30 Cc1cnc(c(n1)CCl)C AB76280 [0,2,0,0,0,0|0,0,0]=2 1212 B10R1.30 Cc1cnc(c(n1)CN)C AB77043 [0,2,0,0,0,0|0,0,0]=2 1213 B10R1.30 c1c(cnc(c1CBr)N)Br AB44379 [0,2,0,0,0,0|2,0,0]=4 1214 B10R1.30 c1c(cnc(c1CCl)Cl)F AB70662 [0,2,0,0,0,0|2,0,0]=4 1215 B10R1.30 c1c(cnc(c1CCl)N)Br AB71006 [0,2,0,0,0,0|2,0,0]=4 1216 B10R1.30 c1c(cnc(c1CCl)N)Cl AB75385 [0,2,0,0,0,0|2,0,0]=4 1217 B10R1.30 c1c(cnc(c1CN)Cl)F AB65094 [0,2,0,0,0,0|2,0,0]=4 1218 B10R1.30 c1c(cnc(c1CN)F)Br PB16767 [0,2,0,0,0,0|2,0,0]=4 1219 B10R1.30 c1c(cnc(c1CO)Cl)Br PB17569 [0,2,0,0,0,0|2,0,0]=4 1220 B10R1.30 c1c(cnc(c1CO)Cl)F AB13672 [0,2,0,0,0,0|2,0,0]=4 1221 B10R1.30 c1c(cnc(c1CO)F)Br PB34780 [0,2,0,0,0,0|2,0,0]=4 1222 B10R1.30 c1c(cnc(c1CO)N)Br AB22233 [0,2,0,0,0,0|2,0,0]=4 1223 B10R1.30 c1c(cnc(c1CO)N)Br AB44376 [0,2,0,0,0,0|2,0,0]=4 1224 B10R1.30 c1c(cnc(c1CO)N)I AB21855 [0,2,0,0,0,0|2,0,0]=4 1225 B10R1.30 c1c(nc(c(n1)Br)C#N)Br PB27296 [0,2,0,0,0,0|1,0,1]=4 1226 B10R1.30 c1c(nc(c(n1)Cl)C=O)Cl AB85727 [0,2,0,0,0,0|1,0,1]=4 1227 B10R1.30 c1c(nc(c(n1)N)C#N)Cl AB60487 [0,2,0,0,0,0|1,0,1]=4 1228 B10R1.30 c1c(nc(c(n1)N)C=O)Br AB69711 [0,2,0,0,0,0|1,0,1]=4 1229 B10R1.30 c1c(nc(c(n1)N)C=O)Cl AB60422 [0,2,0,0,0,0|1,0,1]=4 1230 B10R1.30 c1c(nc(c(n1)N)CCl)Cl AB85695 [0,2,0,0,0,0|1,0,0]=3 1231 B10R1.30 c1cc(nc(c1Br)CN)Cl AB73060 [0,2,0,0,0,0|2,0,0]=4 1232 B10R1.30 c1cc(nc(c1Cl)CN)Cl AB68215 [0,2,0,0,0,0|2,0,0]=4 1233 B10R1.30 c1cc(nc(c1F)CCl)Cl AB71000 [0,2,0,0,0,0|2,0,0]=4 1234 B10R1.30 c1cc(nc(c1F)CN)Cl AB74839 [0,2,0,0,0,0|2,0,0]=4 1235 B10R1.61 B(c1c(cccn1)C)(O)O AB06942 [0,2,0,0,0,0|2,0,0]=4 1236 B10R1.61 B(c1cccnc1C)(O)O AB25945 [0,2,0,0,0,0|2,0,0]=4 1237 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,2,0,0,0,0|2,0,0]=4 1238 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,2,0,0,0,0|2,0,0]=4 1239 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,2,0,0,0,0|2,0,0]=4 1240 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [0,2,0,0,0,0|1,0,0]=3 1241 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [0,2,0,0,0,0|1,0,0]=3 1242 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,2,0,0,0,0|2,0,0]=4 1243 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,2,0,0,0,0|2,0,0]=4 1244 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,2,0,0,0,0|2,0,0]=4 1245 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,2,0,0,0,0|2,0,0]=4 1246 B10R1.61 CC(C)c1c(cccn1)O MB22687 [0,2,0,0,0,0|2,0,0]=4 1247 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [0,2,0,0,0,0|1,0,0]=3 1248 B10R1.61 CC(c1cccnc1Br)N AB41828 [0,2,0,0,0,0|2,0,0]=4 1249 B10R1.61 CC(c1cccnc1Cl)N AB67346 [0,2,0,0,0,0|2,0,0]=4 1250 B10R1.61 CN(C)c1c(cccn1)Br AB67478 [0,2,0,0,0,0|2,0,0]=4 1251 B10R1.61 CN(C)c1c(cccn1)Cl AB67480 [0,2,0,0,0,0|2,0,0]=4 1252 B10R1.61 CN(C)c1c(cccn1)O MB24991 [0,2,0,0,0,0|2,0,0]=4 1253 B10R1.61 CN(C)c1c(nccn1)Cl MB12030 [0,2,0,0,0,0|1,0,0]=3 1254 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,2,0,0,0,0|1,0,0]=3 1255 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [0,2,0,0,0,0|1,0,1]=4 1256 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [0,2,0,0,0,0|1,0,0]=3 1257 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [0,2,0,0,0,0|1,0,0]=3 1258 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] PB15768 [0,2,0,0,0,0|2,0,0]=4 1259 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [0,2,0,0,0,0|0,0,1]=3 1260 B10R1.61 Cc1cccnc1C(=O)O PB10121 [0,2,0,0,0,0|1,0,1]=4 1261 B10R1.61 c1cnc(c(n1)C(=O)Cl)Cl AB60404 [0,2,0,0,0,0|1,0,1]=4 1262 B10R1.61 c1cnc(c(n1)C(=O)N)N AB14047 [0,2,0,0,0,0|1,0,1]=4 1263 B10R1.61 c1cnc(c(n1)C(=O)N)O CB10307 [0,2,0,0,0,0|1,0,1]=4 1264 B10R1.61 c1cnc(c(n1)C(=O)O)Cl PB23222 [0,2,0,0,0,0|1,0,1]=4 1265 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [0,2,0,0,0,0|1,0,1]=4 1266 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [0,2,0,0,0,0|1,0,1]=4 1267 B10R1.61 c1cnc(c(n1)[N+](=O)[O-])Cl AB60519 [0,2,0,0,0,0|2,0,0]=4 1268 B10R1.118 Cc1c(cc(c(n1)N)Br)Br AB02781 [0,2,0,0,0,0|2,0,0]=4 1269 B10R1.118 Cc1c(nc(c(n1)Cl)C)Cl AB44019 [0,2,0,0,0,0|1,0,0]=3 1270 B10R1.118 Cc1c(nc(c(n1)N)Br)Br AB48622 [0,2,0,0,0,0|1,0,0]=3 1271 B10R1.118 Cc1c(nc(c(n1)N)Br)C AB53115 [0,2,0,0,0,0|0,0,0]=2 1272 B10R1.118 Cc1c(nc(c(n1)O)C)O AB44017 [0,2,0,0,0,0|1,0,0]=3 1273 B10R1.118 Cc1cc(c(nc1Br)Br)Br AB13867 [0,2,0,0,0,0|2,0,0]=4 1274 B10R1.118 Cc1cc(c(nc1C)N)N AB66679 [0,2,0,0,0,0|1,0,0]=3 1275 B10R1.176 Cc1c(cc(cn1)C=O)Cl AB74641 [0,2,0,0,0,0|2,0,0]=4 1276 B10R1.176 Cc1c(cc(cn1)C=O)F AB62781 [0,2,0,0,0,0|2,0,0]=4 1277 B10R1.176 Cc1c(cc(cn1)CCl)Cl AB74647 [0,2,0,0,0,0|2,0,0]=4 1278 B10R1.176 Cc1c(cc(cn1)CCl)F AB76305 [0,2,0,0,0,0|2,0,0]=4 1279 B10R1.176 Cc1c(cc(cn1)CN)Cl AB74649 [0,2,0,0,0,0|2,0,0]=4 1280 B10R1.176 Cc1c(cc(cn1)CN)F AB76308 [0,2,0,0,0,0|2,0,0]=4 1281 B10R1.176 Cc1c(cc(cn1)OC)N AB73554 [0,2,0,0,0,0|2,0,0]=4 1282 B10R1.176 Cc1c(ccc(n1)C#N)N AB43410 [0,2,0,0,0,0|2,0,0]=4 1283 B10R1.176 Cc1c(ccc(n1)C=O)Br MB09863 [0,2,0,0,0,0|2,0,0]=4 1284 B10R1.176 Cc1c(ccc(n1)C=O)Cl AB70731 [0,2,0,0,0,0|2,0,0]=4 1285 B10R1.176 Cc1c(ccc(n1)C=O)F AB44884 [0,2,0,0,0,0|2,0,0]=4 1286 B10R1.176 Cc1c(ccc(n1)CCl)Cl AB83321 [0,2,0,0,0,0|2,0,0]=4 1287 B10R1.176 Cc1c(ccc(n1)CCl)F AB83035 [0,2,0,0,0,0|2,0,0]=4 1288 B10R1.176 Cc1c(ccc(n1)CN)Cl AB75079 [0,2,0,0,0,0|2,0,0]=4 1289 B10R1.176 Cc1c(ccc(n1)CN)F AB75158 [0,2,0,0,0,0|2,0,0]=4 1290 B10R1.176 Cc1c(ccc(n1)OC)Br AB13393 [0,2,0,0,0,0|2,0,0]=4 1291 B10R1.176 Cc1c(nc(cn1)C=O)C AB77048 [0,2,0,0,0,0|0,0,0]=2 1292 B10R1.176 Cc1c(nc(cn1)CCl)C AB76287 [0,2,0,0,0,0|0,0,0]=2 1293 B10R1.176 Cc1c(nc(cn1)CN)C AB77049 [0,2,0,0,0,0|0,0,0]=2 1294 B10R1.176 Cc1c(ncc(n1)C#N)Br AB72509 [0,2,0,0,0,0|1,0,0]=3 1295 B10R1.176 Cc1c(ncc(n1)C#N)Cl AB72508 [0,2,0,0,0,0|1,0,0]=3 1296 B10R1.176 Cc1c(ncc(n1)CCl)Cl AB72511 [0,2,0,0,0,0|1,0,0]=3 1297 B10R1.176 Cc1c(ncc(n1)CN)Cl AB72510 [0,2,0,0,0,0|1,0,0]=3 1298 B10R1.176 Cc1c(ncc(n1)OC)Br AB85658 [0,2,0,0,0,0|1,0,0]=3 1299 B10R1.176 Cc1c(ncc(n1)OC)Cl AB85661 [0,2,0,0,0,0|1,0,0]=3 1300 B10R1.176 Cc1cc(cnc1Br)C=O AB44906 [0,2,0,0,0,0|2,0,0]=4 1301 B10R1.176 Cc1cc(cnc1Br)OC AB74660 [0,2,0,0,0,0|2,0,0]=4 1302 B10R1.176 Cc1cc(cnc1C)C=O AB75407 [0,2,0,0,0,0|1,0,0]=3 1303 B10R1.176 Cc1cc(cnc1C)CCl AB75391 [0,2,0,0,0,0|1,0,0]=3 1304 B10R1.176 Cc1cc(cnc1C)CN AB70585 [0,2,0,0,0,0|1,0,0]=3 1305 B10R1.176 Cc1cc(cnc1C)OC AB85300 [0,2,0,0,0,0|1,0,0]=3 1306 B10R1.176 Cc1cc(cnc1Cl)C#N AB50049 [0,2,0,0,0,0|2,0,0]=4 1307 B10R1.176 Cc1cc(cnc1Cl)C=O AB64236 [0,2,0,0,0,0|2,0,0]=4 1308 B10R1.176 Cc1cc(cnc1Cl)CCl AB50053 [0,2,0,0,0,0|2,0,0]=4 1309 B10R1.176 Cc1cc(cnc1Cl)CN AB74569 [0,2,0,0,0,0|2,0,0]=4 1310 B10R1.176 Cc1cc(cnc1Cl)OC AB71233 [0,2,0,0,0,0|2,0,0]=4 1311 B10R1.176 Cc1cc(cnc1F)C=O AB25943 [0,2,0,0,0,0|2,0,0]=4 1312 B10R1.176 Cc1cc(cnc1F)CCl AB64242 [0,2,0,0,0,0|2,0,0]=4 1313 B10R1.176 Cc1cc(cnc1F)CN AB83087 [0,2,0,0,0,0|2,0,0]=4 1314 B10R1.176 Cc1cc(cnc1N)C#N AB25364 [0,2,0,0,0,0|2,0,0]=4 1315 B10R1.176 Cc1cc(cnc1N)OC AB73557 [0,2,0,0,0,0|2,0,0]=4 1316 B10R1.176 Cc1ccc(nc1C)C=O AB74104 [0,2,0,0,0,0|1,0,0]=3 1317 B10R1.176 Cc1ccc(nc1C)CCl AB64955 [0,2,0,0,0,0|1,0,0]=3 1318 B10R1.176 Cc1ccc(nc1C)CN AB65463 [0,2,0,0,0,0|1,0,0]=3 1319 B10R1.176 Cc1ccc(nc1Cl)C=O AB75097 [0,2,0,0,0,0|2,0,0]=4 1320 B10R1.176 Cc1ccc(nc1Cl)CCl AB75101 [0,2,0,0,0,0|2,0,0]=4 1321 B10R1.176 Cc1ccc(nc1Cl)CN AB75099 [0,2,0,0,0,0|2,0,0]=4 1322 B10R1.176 Cc1ccc(nc1F)C=O AB72847 [0,2,0,0,0,0|2,0,0]=4 1323 B10R1.176 Cc1ccc(nc1F)CCl AB72849 [0,2,0,0,0,0|2,0,0]=4 1324 B10R1.176 Cc1ccc(nc1F)CN AB72850 [0,2,0,0,0,0|2,0,0]=4 1325 B10R1.176 Cc1ccc(nc1N)OC AB73563 [0,2,0,0,0,0|2,0,0]=4 1326 B8R1.1 CC1=CN=C(C1)C=O AB43814 [0,0,1,1,0,0|2,0,0]=4 1327 B8R1.1 Cc1coc(n1)C=O PB28183 [0,0,1,1,0,0|2,0,0]=4 1328 B8R1.1 Cc1csc(n1)C=O PB14084 [0,0,1,1,0,0|2,0,0]=4 1329 B8R1.7 CC(=O)c1ncco1 AB42105 [0,0,1,1,0,0|2,0,0]=4 1330 B8R1.7 c1csc(n1)C(=N)N PB24428 [0,0,1,1,0,0|2,0,0]=4 1331 B10R2.7 c1c2c(ncn1)CNC2 PB18873 [0,1,0,1,0,0|2,0,0]=4 1332 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [0,1,0,1,0,0|2,0,0]=4 1333 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [0,1,0,1,0,0|1,0,0]=3 1334 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [0,1,0,1,0,0|1,0,0]=3 1335 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [0,1,0,1,0,0|2,0,0]=4 1336 B10R2.7 c1cnc2=NCC=c2n1 PB29690 [0,1,0,1,0,0|0,0,1]=3 1337 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [0,1,0,1,0,0|0,0,0]=2 1338 B10R2.7 c1cnc2c(n1)CNC2 AB65657 [0,1,0,1,0,0|0,0,0]=2 1339 B10R2.7 c1nc2=NCC=c2nn1 AB72444 [0,1,0,1,0,0|1,0,1]=4 1340 B6R1.2 C1=NC(=O)N=C1 AB01798 [1,0,0,0,1,0|1,0,0]=3 1341 B6R1.2 C1=NC=NC1Br AB02015 [1,0,0,0,1,0|1,0,1]=4 1342 B6R1.2 C1=NC=NC1I AB09493 [1,0,0,0,1,0|1,0,1]=4 1343 B6R1.2 C1=NC=NC1N MB08721 [1,0,0,0,1,0|1,0,1]=4 1344 B6R1.2 C1C=NC(=N1)Br AB11316 [1,0,0,0,1,0|1,0,1]=4 1345 B6R1.2 C1C=NC(=N1)Cl AB11323 [1,0,0,0,1,0|1,0,1]=4 1346 B6R1.2 C1C=NC(=N1)I AB04195 [1,0,0,0,1,0|1,0,1]=4 1347 B6R1.2 C1C=NC(=N1)N AB07116 [1,0,0,0,1,0|1,0,1]=4 1348 B6R1.2 C1C=NC(=N1)N AB29274 [1,0,0,0,1,0|1,0,1]=4 1349 B6R1.2 C1C=NC(=N1)O AB52896 [1,0,0,0,1,0|1,0,1]=4 1350 B6R1.2 C1C=NC(=N1)S AB00386 [1,0,0,0,1,0|1,0,1]=4 1351 B6R1.2 CC1=CN=CC1 PB12076 [1,0,0,0,1,0|0,0,1]=3 1352 B6R1.2 CC1=CN=NC1 AB00390 [1,0,0,0,1,0|1,0,1]=4 1353 B6R1.2 CC1=NC=CC1 AB12705 [1,0,0,0,1,0|0,0,1]=3 1354 B6R1.2 CC1=NN=NC1 AB70603 [1,0,0,0,1,0|1,0,1]=4 1355 B6R1.2 Cc1ccon1 AB01288 [1,0,0,0,1,0|1,0,0]=3 1356 B6R1.2 Cc1cocn1 AB63545 [1,0,0,0,1,0|1,0,0]=3 1357 B6R1.2 Cn1cccn1 PB33818 [1,0,0,0,1,0|1,0,0]=3 1358 B6R1.2 Cn1ccnn1 AB51214 [1,0,0,0,1,0|2,0,0]=4 1359 B6R1.2 Cn1cnnc1 AB06345 [1,0,0,0,1,0|2,0,0]=4 1360 B6R1.2 c1[nH]nc(n1)Br AB09118 [1,0,0,0,1,0|2,0,0]=4 1361 B6R1.2 c1c(con1)Br AB11359 [1,0,0,0,1,0|2,0,0]=4 1362 B6R1.2 c1c(con1)F AB68759 [1,0,0,0,1,0|2,0,0]=4 1363 B6R1.2 c1c(con1)N AB43605 [1,0,0,0,1,0|2,0,0]=4 1364 B6R1.2 c1c(csn1)Br AB25618 [1,0,0,0,1,0|2,0,0]=4 1365 B6R1.2 c1c(csn1)N AB11898 [1,0,0,0,1,0|2,0,0]=4 1366 B6R1.2 c1c(nco1)Br AB71589 [1,0,0,0,1,0|2,0,0]=4 1367 B6R1.2 c1c(nco1)Cl AB71588 [1,0,0,0,1,0|2,0,0]=4 1368 B6R1.2 c1c(nco1)N AB65031 [1,0,0,0,1,0|2,0,0]=4 1369 B6R1.2 c1c(nsn1)Br AB65649 [1,0,0,0,1,0|2,0,0]=4 1370 B6R1.2 c1c(ocn1)Br AB68491 [1,0,0,0,1,0|2,0,0]=4 1371 B6R1.2 c1c(ocn1)N MB10132 [1,0,0,0,1,0|2,0,0]=4 1372 B6R1.2 c1c(scn1)Br AB42975 [1,0,0,0,1,0|2,0,0]=4 1373 B6R1.2 c1cc(oc1)Br AB04890 [1,0,0,0,1,0|2,0,0]=4 1374 B6R1.2 c1cc(sc1)N AB08372 [1,0,0,0,1,0|2,0,0]=4 1375 B6R1.2 c1cn(cn1)N AB53511 [1,0,0,0,1,0|2,0,0]=4 1376 B6R1.2 c1cnoc1N MB00706 [1,0,0,0,1,0|2,0,0]=4 1377 B6R1.2 c1coc(n1)Br AB53255 [1,0,0,0,1,0|2,0,0]=4 1378 B6R1.2 c1coc(n1)I PB15201 [1,0,0,0,1,0|2,0,0]=4 1379 B6R1.2 c1coc(n1)N MB04324 [1,0,0,0,1,0|2,0,0]=4 1380 B6R1.2 c1conc1N PB33787 [1,0,0,0,1,0|2,0,0]=4 1381 B6R1.2 c1conc1O MB20248 [1,0,0,0,1,0|2,0,0]=4 1382 B6R1.2 c1csc(n1)Br AB00399 [1,0,0,0,1,0|2,0,0]=4 1383 B6R1.2 c1csc(n1)Cl CB10295 [1,0,0,0,1,0|2,0,0]=4 1384 B6R1.2 c1csc(n1)O AB10887 [1,0,0,0,1,0|2,0,0]=4 1385 B6R1.2 c1cscc1N MB09694 [1,0,0,0,1,0|2,0,0]=4 1386 B6R1.2 c1cscc1N PB23357 [1,0,0,0,1,0|2,0,0]=4 1387 B6R1.2 c1nc(sn1)N AB08270 [1,0,0,0,1,0|2,0,0]=4