0 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 CC(=O)Cc1ncccn1 MB07248 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.18 CC(=O)Nc1ccncc1 AB06982 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 CC(C)Oc1ccccn1 AB63711 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 CC(Cc1ccncc1)N AB28531 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.18 c1c(cncn1)CC(=O)O PB12648 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.18 c1cc(nnc1)CC(=O)O PB14847 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.18 c1cnc(nc1)CC(=O)O PB34087 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.18 c1cncnc1CC(=O)O PB21983 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.18 c1cnncc1CC(=O)O PB31426 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 c1c(cncn1)CC=O AB57639 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 c1cc(cnc1)N=C=O AB08187 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 c1cnc(cn1)CC=O AB57650 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 c1cnc(nc1)CC=O AB57641 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 c1cnccc1N=C=O AB44989 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 c1cncnc1CC=O AB57648 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.20 CC(=O)Nc1ccc(cn1)I AB08522 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.20 CC(=O)Nc1ccc(cn1)N AB04216 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.20 CC(=O)Nc1ccc(nc1)Br AB30811 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.20 CC(=O)Nc1cnc(cn1)Br MB14371 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.20 CC(=O)Nc1cnc(nc1)Br MB14362 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.20 CC(=O)Nc1ncc(cn1)Br MB11994 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.20 CC(=O)Oc1cnc(cn1)Br MB14264 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.20 CC(=O)Oc1ncc(cn1)Br MB14266 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.20 CC(C)Oc1ccc(cn1)Br MB04495 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.20 CC(C)Oc1ccc(cn1)N AB40632 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.20 CC(C)Oc1ccc(nc1)Br MB13762 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.20 c1cc(ccc1N=C(N)N)Cl AB04678 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.20 c1cc(ncc1Br)CC(=O)O PB31471 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.20 c1cc(ncc1CC(=O)O)Br AB71018 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.20 c1cc(ncc1CC(=O)O)Cl AB10318 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.20 c1cc(ncc1CC(=O)O)F AB55206 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.20 c1cc(ncc1F)CC(=O)O AB55200 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.20 c1cc(ncc1I)CC(=O)O PB21451 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB06681 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB12427 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.36 c1cc(cnc1)[C@@H](C(=O)O)N AB30490 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.36 c1cc(cnc1)[C@H](C(=O)O)N AB33298 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.36 c1ccnc(c1)C(C(=O)O)N AB21618 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.36 c1ccnc(c1)[C@@H](C(=O)O)N AB30492 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.36 c1ccnc(c1)[C@H](C(=O)O)N AB33283 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.36 c1cnccc1C(C(=O)O)N AB21617 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.36 c1cnccc1[C@@H](C(=O)O)N AB30487 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.36 c1cnccc1[C@H](C(=O)O)N AB33310 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,1,0,0,0,0|1,0,1]=3 83 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.40 CC(CN)Oc1ccncc1 AB38917 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.40 COC(=O)Cc1ccncn1 PB21336 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.40 COC(=O)Cc1ccnnc1 PB28638 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,1,0,0,0,0|1,0,1]=3 95 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.86 CC(=O)Nc1cccnc1Br MB03384 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.86 CC(=O)Nc1cnccc1N MB08841 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.86 CC(C)Oc1c(cccn1)I AB25867 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.86 CC(C)Oc1ccncc1O MB23246 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.86 CC(C)Oc1cnccc1O MB23247 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.86 CN(C)Cc1ccccc1N AB01574 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.86 c1cc(c(nc1)CC(=O)O)Br PB17731 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.86 c1cc(c(nc1)CC(=O)O)F AB55219 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O PB10699 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F AB16515 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.157 CC(=O)Nc1cc(cnc1)Br MB13418 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.157 CC(=O)Nc1cc(ncn1)Br MB14383 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.157 CC(=O)Nc1cc(ncn1)N PB23255 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.157 CC(=O)Nc1cccc(n1)Br MB01012 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.157 CC(=O)Nc1ccnc(c1)Br MB14356 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.157 CC(=O)Nc1ccnc(n1)Br MB14361 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.157 CC(=O)Nc1nccc(n1)Br MB14364 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.157 CC(=O)Oc1cc(ncn1)Br MB14313 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.157 CC(=O)Oc1cncc(n1)Br MB14303 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.157 CC(=O)Oc1nccc(n1)Br MB14223 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.157 CC(C)Oc1cc(ccn1)Br MB10313 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.157 CC(C)Oc1cc(ccn1)O MB23248 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.157 CC(C)Oc1cc(cnc1)Br MB14161 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.157 CC(C)Oc1cc(cnc1)O MB14428 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.157 CC(C)Oc1cccc(c1)O MB09279 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.157 CC(C)Oc1cccc(n1)Br AB54102 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.157 CC(C)Oc1ccnc(c1)Cl MB13766 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.157 Cc1cc(ccn1)NC(=O)C AB53272 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.157 Cc1ccnc(c1)NC(=O)C AB05238 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.157 c1c(cncc1Br)CC(=O)O AB07359 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.157 c1c(cncc1F)CC(=O)O PB22356 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.157 c1cc(cc(c1)Br)CC(=N)N AB60873 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.157 c1cc(cc(c1)Cl)NC(=N)N AB43838 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.157 c1cc(cc(c1)F)CC(=N)N AB49997 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.157 c1cc(nc(c1)Br)CC(=O)O CB11432 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.157 c1cc(nc(c1)F)CC(=O)O AB55215 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.157 c1cnc(cc1CC(=O)O)Br AB31444 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.157 c1cnc(cc1CC(=O)O)Cl AB31448 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.157 c1cnc(cc1CC(=O)O)N AB31440 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.509 CC(C)(C)Oc1cccnc1 MB01044 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.509 CC(C)(Cc1ccccc1)N AB02355 [0,1,0,0,0,0|2,0,1]=4 166 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,0,0,1,0,0|2,0,1]=4 167 B11R2.10 CC1=NC2=C(=N1)C=CC=C2 AB00442 [0,0,0,1,0,0|2,0,1]=4 168 B11R2.10 Cc1cn2ccccc2n1 MB02386 [0,0,0,1,0,0|3,0,0]=4 169 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [0,0,0,1,0,0|2,0,0]=3 170 B11R2.10 Cn1cc2ccccc2n1 PB15684 [0,0,0,1,0,0|3,0,0]=4 171 B11R2.10 c1c2c(ncn1)NC(=O)C2 PB13160 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.10 c1cc2=NC(=O)N=c2nc1 AB06227 [0,0,0,1,0,0|3,0,0]=4 173 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [0,0,0,1,0,0|2,0,0]=3 174 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [0,0,0,1,0,0|2,0,0]=3 175 B11R2.10 c1cc2c(nc1)nc(o2)Cl AB63474 [0,0,0,1,0,0|3,0,0]=4 176 B11R2.10 c1cc2c(nc1)nc(o2)N AB63475 [0,0,0,1,0,0|3,0,0]=4 177 B11R2.10 c1cc2c(nc1)oc(n2)S AB65959 [0,0,0,1,0,0|2,1,0]=4 178 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [0,0,0,1,0,0|1,0,0]=2 179 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [0,0,0,1,0,0|2,0,1]=4 180 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [0,0,0,1,0,0|3,0,0]=4 182 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [0,0,0,1,0,0|1,0,1]=3 183 B11R2.10 c1ccc2c(c1)nc(o2)Cl AB00524 [0,0,0,1,0,0|2,0,0]=3 184 B11R2.10 c1ccc2c(c1)nc(s2)Cl AB00527 [0,0,0,1,0,0|2,1,0]=4 185 B11R2.10 c1cncc2=NC(=O)N=c21 AB11607 [0,0,0,1,0,0|3,0,0]=4 186 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [0,0,0,1,0,0|2,0,0]=3 187 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [0,0,0,1,0,0|2,0,0]=3 188 B11R2.10 c1cncc2c1nc(o2)S AB65956 [0,0,0,1,0,0|2,1,0]=4 189 B11R2.10 c1cncc2c1oc(n2)S AB65952 [0,0,0,1,0,0|2,1,0]=4 190 B11R2.238 c1cc(cnc1)OC2CC2 MB19977 [0,0,0,1,0,0|2,0,1]=4 191 B11R2.238 c1ccnc(c1)OC2CC2 MB19961 [0,0,0,1,0,0|2,0,1]=4 192 B11R2.238 c1cnccc1OC2CC2 MB19994 [0,0,0,1,0,0|2,0,1]=4 193 B9R1.6 C=C(c1ccccn1)Br AB31950 [0,0,0,0,1,0|2,0,1]=4 194 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,0,0,0,1,0|1,0,0]=2 195 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,0,0,0,1,0|1,0,0]=2 196 B9R1.6 CC(=O)c1cccnn1 PB16551 [0,0,0,0,1,0|2,0,0]=3 197 B9R1.6 CC(=O)c1ccncc1 AB00760 [0,0,0,0,1,0|1,0,0]=2 198 B9R1.6 CC(=O)c1ccncn1 PB17606 [0,0,0,0,1,0|2,0,0]=3 199 B9R1.6 CC(=O)c1ccnnc1 PB26895 [0,0,0,0,1,0|2,0,0]=3 200 B9R1.6 CC(=O)c1cnccn1 AB00602 [0,0,0,0,1,0|2,0,0]=3 201 B9R1.6 CC(=O)c1cncnc1 PB20327 [0,0,0,0,1,0|2,0,0]=3 202 B9R1.6 CC(=O)c1ncccn1 PB34295 [0,0,0,0,1,0|2,0,0]=3 203 B9R1.6 CC(C)c1ccccn1 PB21659 [0,0,0,0,1,0|2,0,1]=4 204 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,0,0,0,1,0|1,0,1]=3 205 B9R1.6 CC(c1ccccn1)N AB21604 [0,0,0,0,1,0|2,0,1]=4 206 B9R1.6 CC(c1cccnc1)N AB09764 [0,0,0,0,1,0|2,0,1]=4 207 B9R1.6 CC(c1ccncc1)N AB11609 [0,0,0,0,1,0|2,0,1]=4 208 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,0,0,0,1,0|2,0,1]=4 209 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [0,0,0,0,1,0|2,0,1]=4 210 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,0,0,0,1,0|2,0,1]=4 211 B9R1.6 C[C@H](c1ccncc1)N AB49745 [0,0,0,0,1,0|2,0,1]=4 212 B9R1.6 c1c(cncn1)C(=O)O PB23195 [0,0,0,0,1,0|3,0,0]=4 213 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [0,0,0,0,1,0|3,0,0]=4 214 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [0,0,0,0,1,0|2,0,0]=3 215 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [0,0,0,0,1,0|3,0,0]=4 216 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,0,0,0,1,0|2,0,0]=3 217 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [0,0,0,0,1,0|2,1,0]=4 218 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [0,0,0,0,1,0|3,0,0]=4 219 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [0,0,0,0,1,0|3,0,0]=4 220 B9R1.6 c1cnccc1C(=N)N MB02852 [0,0,0,0,1,0|3,0,0]=4 221 B9R1.6 c1cnccc1C(=O)O AB00757 [0,0,0,0,1,0|2,0,0]=3 222 B9R1.6 c1cnccc1C(=S)N AB00764 [0,0,0,0,1,0|2,1,0]=4 223 B9R1.6 c1cncnc1C(=O)O PB29023 [0,0,0,0,1,0|3,0,0]=4 224 B9R1.6 c1cnncc1C(=O)O PB17054 [0,0,0,0,1,0|3,0,0]=4 225 B9R1.13 CC(=O)Nc1ccsc1 AB04169 [0,0,0,0,1,0|2,0,0]=3 226 B9R1.13 c1cc(sc1)CC(=O)O PB27359 [0,0,0,0,1,0|3,0,0]=4 227 B9R1.13 c1cscc1CC(=O)O PB28939 [0,0,0,0,1,0|3,0,0]=4 228 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,0,0,0,0,1|1,0,0]=2 229 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,0,0,0,1|1,0,0]=2 230 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,0,0,0,0,1|2,1,0]=4 231 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|1,0,0]=3 233 B8R1.2 COc1cccnn1 AB05130 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.2 COc1ccnnc1 AB44150 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.2 c1c(cncn1)C=O PB32342 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.2 c1cc(cnc1)C=O AB00744 [2,0,0,0,0,0|1,0,0]=3 237 B8R1.2 c1cc(nnc1)C=O PB20119 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.2 c1ccnc(c1)C=O AB00680 [2,0,0,0,0,0|1,0,0]=3 239 B8R1.2 c1cnc(cn1)C=O PB19982 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.2 c1cnc(nc1)C=O PB34235 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.2 c1cnccc1C=O AB00754 [2,0,0,0,0,0|1,0,0]=3 242 B8R1.2 c1cnccc1ON AB31585 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 c1cncnc1C=O AB16150 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.2 c1cnncc1C=O PB17346 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.1 CCOc1ccc(cn1)Br AB05210 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.1 CCOc1ccc(cn1)N AB09602 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.1 c1cc(ccc1CC=O)F AB11805 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.1 c1cc(ccc1CC=O)N AB27688 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.4 CCOc1c(cccn1)Br AB05207 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.4 CCOc1c(cccn1)I AB05213 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.4 CCOc1ccncc1Br MB01009 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.10 CCOc1cc(ccn1)Br AB05209 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.10 CCOc1cc(ccn1)N AB05301 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.10 CCOc1cc(cnc1)Br AB05134 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.10 CCOc1cccc(n1)Br AB05279 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.10 CCOc1cccc(n1)N AB05302 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.10 CCOc1ccnc(c1)N AB09620 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.10 Cc1cccc(c1)CC=O AB11815 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.10 c1cc(cc(c1)Br)\C=C\Br AB73510 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.15 c1cnccc1C(=O)C=O AB62328 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.17 c1ccnc(c1)OCCN AB03271 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.17 c1cnccc1CCC=O AB49299 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [0,1,0,0,1,0|1,0,0]=3 283 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,1,0,0,1,0|1,0,0]=3 284 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,1,0,0,1,0|1,0,0]=3 285 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,1,0,0,1,0|1,0,0]=3 286 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,1,0,0,1,0|1,0,0]=3 287 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,1,0,0,1,0|1,0,0]=3 288 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,1,0,0,1,0|1,0,0]=3 289 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,1,0,0,1,0|1,0,0]=3 290 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,1,0,0,1,0|1,0,0]=3 291 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,1,0,0,1,0|1,0,0]=3 292 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,1,0,0,1,0|1,0,0]=3 293 B10R1.13 CC(=O)c1ccc(nn1)Cl PB20488 [0,1,0,0,1,0|2,0,0]=4 294 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [0,1,0,0,1,0|2,0,0]=4 295 B10R1.13 CC(=O)c1cnc(nc1)Cl AB59098 [0,1,0,0,1,0|2,0,0]=4 296 B10R1.13 CC(=O)c1ncc(cn1)Br PB34979 [0,1,0,0,1,0|2,0,0]=4 297 B10R1.13 CC(=O)c1ncc(cn1)F PB24344 [0,1,0,0,1,0|2,0,0]=4 298 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [0,1,0,0,1,0|2,0,0]=4 299 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [0,1,0,0,1,0|2,0,0]=4 300 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [0,1,0,0,1,0|2,0,0]=4 301 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [0,1,0,0,1,0|1,1,0]=4 302 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,1,0,0,1,0|1,0,0]=3 303 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [0,1,0,0,1,0|2,0,0]=4 304 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,1,0,0,1,0|2,0,0]=4 305 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,1,0,0,1,0|1,0,0]=3 306 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,1,0,0,1,0|2,0,0]=4 307 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [0,1,0,0,1,0|2,0,0]=4 308 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [0,1,0,0,1,0|2,0,0]=4 309 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [0,1,0,0,1,0|2,0,0]=4 310 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [0,1,0,0,1,0|2,0,0]=4 311 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [0,1,0,0,1,0|2,0,0]=4 312 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [0,1,0,0,1,0|2,0,0]=4 313 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [0,1,0,0,1,0|2,0,0]=4 314 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [0,1,0,0,1,0|2,0,0]=4 315 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [0,1,0,0,1,0|1,1,0]=4 316 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [0,1,0,0,1,0|1,1,0]=4 317 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [0,1,0,0,1,0|1,1,0]=4 318 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [0,1,0,0,1,0|1,1,0]=4 319 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [0,1,0,0,1,0|1,1,0]=4 320 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [0,1,0,0,1,0|2,0,0]=4 321 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [0,1,0,0,1,0|2,0,0]=4 322 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [0,1,0,0,1,0|2,0,0]=4 323 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [0,1,0,0,1,0|2,0,0]=4 324 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [0,1,0,0,1,0|2,0,0]=4 325 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [0,1,0,0,1,0|2,0,0]=4 326 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [0,1,0,0,1,0|2,0,0]=4 327 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [0,1,0,0,1,0|2,0,0]=4 328 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [0,1,0,0,1,0|2,0,0]=4 329 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [0,1,0,0,1,0|2,0,0]=4 330 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [0,1,0,0,1,0|2,0,0]=4 331 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [0,1,0,0,1,0|2,0,0]=4 332 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [0,1,0,0,1,0|2,0,0]=4 333 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [0,1,0,0,1,0|2,0,0]=4 334 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [0,1,0,0,1,0|2,0,0]=4 335 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,1,0,0,1,0|1,0,0]=3 336 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,1,0,0,1,0|1,0,0]=3 337 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,1,0,0,1,0|1,0,0]=3 338 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [0,1,0,0,1,0|2,0,0]=4 339 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [0,1,0,0,1,0|2,0,0]=4 340 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,1,0,0,1,0|1,0,0]=3 341 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,1,0,0,1,0|1,0,0]=3 342 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,1,0,0,1,0|1,0,0]=3 343 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,1,0,0,1,0|1,0,0]=3 344 B10R1.61 CC(=O)c1ccncc1Br PB12099 [0,1,0,0,1,0|1,0,0]=3 345 B10R1.61 CC(=O)c1ccncc1F PB22036 [0,1,0,0,1,0|1,0,0]=3 346 B10R1.61 CC(=O)c1ccncc1N AB41121 [0,1,0,0,1,0|1,0,0]=3 347 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,1,0,0,1,0|1,0,0]=3 348 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,1,0,0,1,0|1,0,0]=3 349 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,1,0,0,1,0|1,0,0]=3 350 B10R1.61 CN(C)c1ccccc1O MB08302 [0,1,0,0,1,0|2,0,0]=4 351 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,1,0,0,1,0|1,0,0]=3 352 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [0,1,0,0,1,0|2,0,0]=4 353 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,1,0,0,1,0|2,0,0]=4 354 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,1,0,0,1,0|1,1,0]=4 355 B10R1.61 Cc1cccnc1C(=O)O PB10121 [0,1,0,0,1,0|2,0,0]=4 356 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,1,0,0,1,0|1,0,0]=3 357 B10R1.61 Cc1ccncc1C(=O)O PB17119 [0,1,0,0,1,0|2,0,0]=4 358 B10R1.61 Cc1cnccc1C(=O)O PB12103 [0,1,0,0,1,0|2,0,0]=4 359 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [0,1,0,0,1,0|2,0,0]=4 360 B10R1.61 c1cc(c(nc1)C(=O)N)N PB24920 [0,1,0,0,1,0|2,0,0]=4 361 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [0,1,0,0,1,0|2,0,0]=4 362 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [0,1,0,0,1,0|2,0,0]=4 363 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [0,1,0,0,1,0|2,0,0]=4 364 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [0,1,0,0,1,0|2,0,0]=4 365 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [0,1,0,0,1,0|2,0,0]=4 366 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [0,1,0,0,1,0|2,0,0]=4 367 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [0,1,0,0,1,0|2,0,0]=4 368 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,1,0,0,1,0|2,0,0]=4 369 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [0,1,0,0,1,0|2,0,0]=4 370 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [0,1,0,0,1,0|2,0,0]=4 371 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [0,1,0,0,1,0|2,0,0]=4 372 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,1,0,0,1,0|2,0,0]=4 373 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,1,0,0,1,0|1,0,0]=3 374 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [0,1,0,0,1,0|1,1,0]=4 375 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [0,1,0,0,1,0|1,1,0]=4 376 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [0,1,0,0,1,0|1,1,0]=4 377 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [0,1,0,0,1,0|2,0,0]=4 378 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [0,1,0,0,1,0|2,0,0]=4 379 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [0,1,0,0,1,0|2,0,0]=4 380 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [0,1,0,0,1,0|2,0,0]=4 381 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [0,1,0,0,1,0|2,0,0]=4 382 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [0,1,0,0,1,0|2,0,0]=4 383 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [0,1,0,0,1,0|2,0,0]=4 384 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [0,1,0,0,1,0|2,0,0]=4 385 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [0,1,0,0,1,0|2,0,0]=4 386 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [0,1,0,0,1,0|2,0,0]=4 387 B10R1.61 c1cncc(c1N)C(=O)N PB21456 [0,1,0,0,1,0|2,0,0]=4 388 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [0,1,0,0,1,0|2,0,0]=4 389 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [0,1,0,0,1,0|2,0,0]=4 390 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [0,1,0,0,1,0|2,0,0]=4 391 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,1,0,0,1,0|1,0,0]=3 392 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,1,0,0,1,0|1,0,0]=3 393 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,1,0,0,1,0|1,0,0]=3 394 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,1,0,0,1,0|1,0,0]=3 395 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,1,0,0,1,0|1,0,0]=3 396 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,1,0,0,1,0|1,0,0]=3 397 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,1,0,0,1,0|1,0,0]=3 398 B10R1.113 CC(=O)c1cc(ncn1)Cl AB75829 [0,1,0,0,1,0|2,0,0]=4 399 B10R1.113 CC(=O)c1cc(nnc1)Cl AB76969 [0,1,0,0,1,0|2,0,0]=4 400 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [0,1,0,0,1,0|1,0,0]=3 401 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [0,1,0,0,1,0|1,0,0]=3 402 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [0,1,0,0,1,0|1,0,0]=3 403 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [0,1,0,0,1,0|1,0,0]=3 404 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [0,1,0,0,1,0|1,0,0]=3 405 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [0,1,0,0,1,0|1,0,0]=3 406 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [0,1,0,0,1,0|1,0,0]=3 407 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [0,1,0,0,1,0|1,0,0]=3 408 B10R1.113 CC(=O)c1ccnc(n1)Cl AB76950 [0,1,0,0,1,0|2,0,0]=4 409 B10R1.113 CC(=O)c1ccnc(n1)N PB23634 [0,1,0,0,1,0|2,0,0]=4 410 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [0,1,0,0,1,0|1,0,1]=4 411 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [0,1,0,0,1,0|1,0,1]=4 412 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [0,1,0,0,1,0|1,0,0]=3 413 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [0,1,0,0,1,0|2,0,0]=4 414 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [0,1,0,0,1,0|2,0,0]=4 415 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [0,1,0,0,1,0|2,0,0]=4 416 B10R1.113 Cc1cc(ncn1)C(=O)C AB50216 [0,1,0,0,1,0|2,0,0]=4 417 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [0,1,0,0,1,0|2,0,0]=4 418 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [0,1,0,0,1,0|1,1,0]=4 419 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [0,1,0,0,1,0|1,0,0]=3 420 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [0,1,0,0,1,0|2,0,0]=4 421 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,1,0,0,1,0|1,0,0]=3 422 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [0,1,0,0,1,0|2,0,0]=4 423 B10R1.113 Cc1nccc(n1)C(=O)C AB04788 [0,1,0,0,1,0|2,0,0]=4 424 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [0,1,0,0,1,0|2,0,0]=4 425 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [0,1,0,0,1,0|2,0,0]=4 426 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [0,1,0,0,1,0|2,0,0]=4 427 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [0,1,0,0,1,0|2,0,0]=4 428 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [0,1,0,0,1,0|2,0,0]=4 429 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [0,1,0,0,1,0|2,0,0]=4 430 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [0,1,0,0,1,0|1,0,0]=3 431 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [0,1,0,0,1,0|1,1,0]=4 432 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [0,1,0,0,1,0|1,1,0]=4 433 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [0,1,0,0,1,0|2,0,0]=4 434 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [0,1,0,0,1,0|1,1,0]=4 435 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [0,1,0,0,1,0|2,0,0]=4 436 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [0,1,0,0,1,0|1,1,0]=4 437 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [0,1,0,0,1,0|2,0,0]=4 438 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [0,1,0,0,1,0|1,0,0]=3 439 B10R1.113 c1cc(nc(c1)Br)C(=O)N MB00999 [0,1,0,0,1,0|2,0,0]=4 440 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [0,1,0,0,1,0|2,0,0]=4 441 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [0,1,0,0,1,0|2,0,0]=4 442 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [0,1,0,0,1,0|2,0,0]=4 443 B10R1.113 c1cc(nc(c1)I)C(=O)N AB42518 [0,1,0,0,1,0|2,0,0]=4 444 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [0,1,0,0,1,0|2,0,0]=4 445 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [0,1,0,0,1,0|2,0,0]=4 446 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [0,1,0,0,1,0|2,0,0]=4 447 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [0,1,0,0,1,0|2,0,0]=4 448 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [0,1,0,0,1,0|2,0,0]=4 449 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [0,1,0,0,1,0|2,0,0]=4 450 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [0,1,0,0,1,0|2,0,0]=4 451 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [0,1,0,0,1,0|2,0,0]=4 452 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [0,1,0,0,1,0|2,0,0]=4 453 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [0,1,0,0,1,0|2,0,0]=4 454 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [0,1,0,0,1,0|2,0,0]=4 455 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [0,1,0,0,1,0|2,0,0]=4 456 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [0,1,0,0,1,0|2,0,0]=4 457 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [0,1,0,0,1,0|2,0,0]=4 458 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [0,1,0,0,1,0|2,0,0]=4 459 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [0,1,0,0,1,0|2,0,0]=4 460 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [0,1,0,0,1,0|2,0,0]=4 461 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [0,1,0,0,1,0|2,0,0]=4 462 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [0,1,0,0,1,0|2,0,0]=4 463 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [0,1,0,0,1,0|2,0,0]=4 464 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [0,1,0,0,1,0|2,0,0]=4 465 B10R1.27 COC(=O)Cc1ccsc1 PB15626 [0,1,0,0,1,0|2,0,0]=4 466 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [0,1,0,0,0,1|0,0,0]=2 467 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [0,1,0,0,0,1|0,0,0]=2 468 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [0,1,0,0,0,1|0,0,0]=2 469 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [0,1,0,0,0,1|0,0,0]=2 470 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [0,1,0,0,0,1|2,0,0]=4 471 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [0,1,0,0,0,1|0,0,0]=2 472 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [0,1,0,0,0,1|2,0,0]=4 473 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [0,1,0,0,0,1|2,0,0]=4 474 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [0,1,0,0,0,1|2,0,0]=4 475 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [0,1,0,0,0,1|2,0,0]=4 476 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [0,1,0,0,0,1|2,0,0]=4 477 B12R1.21 c1cc(ccc1OCC(=N)N)F AB08309 [0,1,0,0,0,1|2,0,0]=4 478 B12R1.21 c1cc(ccc1OCC(=O)O)Cl AB00355 [0,1,0,0,0,1|1,0,0]=3 479 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [0,1,0,0,0,1|2,0,0]=4 480 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [0,1,0,0,0,1|2,0,0]=4 481 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [0,1,0,0,0,1|2,0,0]=4 482 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [0,1,0,0,0,1|0,0,0]=2 483 B12R1.43 c1ccc(cc1)CC(C(=O)O)N AB02573 [0,1,0,0,0,1|2,0,0]=4 484 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N AB02575 [0,1,0,0,0,1|2,0,0]=4 485 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br AB04813 [0,1,0,0,0,1|2,0,0]=4 486 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N AB00345 [0,1,0,0,0,1|2,0,0]=4 487 B12R1.107 c1ccc(cc1)C(CC(=O)O)N AB00922 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AB08206 [0,1,0,0,0,1|2,0,0]=4 489 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [0,1,0,0,0,1|2,0,0]=4 490 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [0,1,0,0,0,1|2,0,0]=4 491 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [0,1,0,0,0,1|2,0,0]=4 492 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [0,1,0,0,0,1|2,0,0]=4 493 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [0,1,0,0,0,1|2,0,0]=4 494 B12R1.226 CC(=O)COc1cccc(c1)Br AB26134 [0,1,0,0,0,1|0,0,0]=2 495 B12R1.226 CC(=O)COc1cccc(c1)Cl AB26133 [0,1,0,0,0,1|0,0,0]=2 496 B12R1.226 CC(=O)COc1cccc(c1)F AB26135 [0,1,0,0,0,1|0,0,0]=2 497 B12R1.226 CC(=O)NCc1cc(cnc1)Br AB68529 [0,1,0,0,0,1|2,0,0]=4 498 B12R1.226 CC(=O)OCc1cc(ccn1)Br AB65591 [0,1,0,0,0,1|1,0,0]=3 499 B12R1.226 Cc1cccc(c1)CCC(=O)O AB02387 [0,1,0,0,0,1|2,0,0]=4 500 B12R1.226 Cc1cccc(c1)CCC(=O)[O-] AB72171 [0,1,0,0,0,1|2,0,0]=4 501 B12R1.226 Cc1cccc(c1)OCC(=O)C AB26138 [0,1,0,0,0,1|0,0,0]=2 502 B12R1.226 c1cc(cc(c1)Br)CCC(=O)N AB64468 [0,1,0,0,0,1|2,0,0]=4 503 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O AB08444 [0,1,0,0,0,1|2,0,0]=4 504 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O AB08448 [0,1,0,0,0,1|2,0,0]=4 505 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O AB01185 [0,1,0,0,0,1|1,0,0]=3 506 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [0,1,0,0,0,1|2,0,0]=4 507 B12R1.226 c1cc(cc(c1)F)CCC(=O)O AB08454 [0,1,0,0,0,1|2,0,0]=4 508 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.4 CC(C)Oc1ccc(cc1)NN AB27890 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.4 c1cc(ccc1CC(=O)O)CN AB17066 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.19 CC(=O)Oc1ccc(c(c1)Cl)F MB07187 [0,2,0,0,0,0|0,0,0]=2 512 B12R1.19 CC(C)Oc1ccc(c(c1)Br)O MB23095 [0,2,0,0,0,0|1,0,1]=4 513 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)O MB23097 [0,2,0,0,0,0|1,0,1]=4 514 B12R1.19 CC(C)Oc1ccc(c(c1)F)N AB09448 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.19 CC(C)Oc1ccc(c(c1)F)O MB23076 [0,2,0,0,0,0|1,0,1]=4 516 B12R1.19 CC(C)Oc1ccc(c(c1)I)O MB23080 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.19 CC(C)Oc1ccc(c(c1)N)O MB23087 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.19 CC(C)Oc1ccc(c(c1)O)Br MB23146 [0,2,0,0,0,0|1,0,1]=4 519 B12R1.19 CC(C)Oc1ccc(c(c1)O)Cl MB23153 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.19 CC(C)Oc1ccc(c(c1)O)F MB23035 [0,2,0,0,0,0|1,0,1]=4 521 B12R1.19 CC(C)Oc1ccc(c(c1)O)I MB23037 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.19 CC(C)Oc1ccc(c(c1)O)N MB23047 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.19 Cc1c(ccc(n1)NC(=O)C)Br AB16850 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.19 Cc1cc(ccc1O)OC(C)C MB23056 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.19 Cc1cc(ncc1Br)NC(=O)C AB29808 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.19 Cc1cc(ncc1Cl)NC(=O)C AB41146 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.19 Cc1ccc(cc1Br)NC(=O)C AB07992 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.19 Cc1ccc(cc1O)OC(C)C MB23001 [0,2,0,0,0,0|1,0,1]=4 529 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N AB06684 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)N AB32672 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br AB02090 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br AB20158 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl AB02094 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.20 c1cc(ccc1C(C(=O)O)N)F AB02694 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.20 c1cc(ccc1C(C(=O)O)N)F AB24574 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.20 c1cc(ccc1C(C(=O)O)N)O AB02671 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl AB15770 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F AB04848 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Br AB32807 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Cl AB16238 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F AB01939 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O AB00341 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.49 CC(CN)Oc1ccc(cc1)Br AB38871 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.49 CC(CN)Oc1ccc(cc1)Cl AB38863 [0,2,0,0,0,0|1,0,1]=4 545 B12R1.49 CC(CN)Oc1ccc(cc1)F AB12553 [0,2,0,0,0,0|1,0,1]=4 546 B12R1.49 COC(=N)Cc1ccc(cc1)Br AB60928 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.49 COC(=N)Cc1ccc(cc1)Cl AB60925 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.49 COC(=N)Cc1ccc(cc1)F AB60924 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.49 COC(=O)Cc1ccc(cc1)Br PB24610 [0,2,0,0,0,0|1,0,0]=3 550 B12R1.49 COC(=O)Nc1ccc(cn1)Br MB01437 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.49 COC(=O)Nc1ccc(nc1)Br MB14348 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.49 Cc1ccc(cc1)CC(=N)OC AB60933 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.49 Cc1ccc(cc1)OC(C)CN AB16399 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)Br AB01521 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)O MB01417 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.233 CC(C)Oc1ccc(cc1Br)O MB23132 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.233 CC(C)Oc1ccc(cc1Cl)O MB13560 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.233 CC(C)Oc1ccc(cc1F)O MB23119 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.233 CC(C)Oc1ccc(cc1I)O MB23120 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.233 CC(C)Oc1ccc(cc1N)O MB23121 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.233 CC(C)Oc1ccc(cc1O)Br MB23150 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.233 CC(C)Oc1ccc(cc1O)Cl MB13550 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.233 CC(C)Oc1ccc(cc1O)F MB14580 [0,2,0,0,0,0|1,0,1]=4 564 B12R1.233 CC(C)Oc1ccc(cc1O)I MB23040 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.233 CC(C)Oc1ccc(cc1O)N MB23049 [0,2,0,0,0,0|1,0,1]=4 566 B12R1.233 Cc1cc(ccc1OC(C)C)O MB13553 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.233 Cc1cc(cnc1NC(=O)C)N AB64450 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.233 Cc1ccc(c(c1)O)OC(C)C MB13554 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.34 CN(c1ccccc1)C(=O)CO AB13884 [0,2,0,0,0,0|1,0,0]=3 570 B12R1.34 COC(=O)C(c1ccccn1)N CB11313 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.34 COC(=O)[C@@H](c1ccccc1)Br AB70356 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.124 Cc1ccccc1C(C(=O)O)N AB11985 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.124 Cc1ccccc1C(C(=O)O)N AB24607 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.124 Cc1ccccc1[C@@H](C(=O)O)N AB30505 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.124 Cc1ccccc1[C@H](C(=O)O)N AB32649 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Br CB10378 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Cl AB24958 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F AB28722 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Br AB11975 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Cl AB02080 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Cl AB24559 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)F AB01936 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)O AB01138 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)Br AB32771 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)Cl AB14834 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)F AB30501 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)O AB32827 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)Br AB32767 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)F AB32730 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)O AB32824 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O AB14392 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.225 Cc1cccc(c1)C(C(=O)O)N AB11988 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.225 Cc1cccc(c1)C(C(=O)O)N AB24611 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.225 Cc1cccc(c1)[C@@H](C(=O)O)N AB32661 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.225 Cc1cccc(c1)[C@H](C(=O)O)N AB32657 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)N AB06688 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)N AB24597 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.225 c1cc(cc(c1)Br)[C@@H](C(=O)O)N AB32790 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.225 c1cc(cc(c1)Br)[C@H](C(=O)O)N AB32787 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N AB02088 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N AB24563 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.225 c1cc(cc(c1)Cl)[C@@H](C(=O)O)N AB16236 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.225 c1cc(cc(c1)F)C(C(=O)O)N AB02084 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.225 c1cc(cc(c1)F)C(C(=O)O)N AB24571 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.225 c1cc(cc(c1)F)[C@@H](C(=O)O)N AB05384 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.225 c1cc(cc(c1)I)C(C(=O)O)N AB24603 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.225 c1cc(cc(c1)O)C(C(=O)O)N AB06901 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.225 c1cc(cc(c1)O)[C@@H](C(=O)O)N AB06905 [0,2,0,0,0,0|2,0,0]=4 609 B12R1.225 c1cc(cc(c1)O)[C@H](C(=O)O)N AB01055 [0,2,0,0,0,0|2,0,0]=4 610 B12R1.253 CC(c1ccccc1)(C(=O)O)N AB04677 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)N AB33357 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O AB02735 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.253 C[C@](c1ccccc1)(C(=O)O)N AB33354 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O AB02737 [0,2,0,0,0,0|2,0,0]=4 615 B12R1.253 c1ccc(cc1)C(C(=O)O)(F)F AB06356 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.478 CNC(c1ccccc1)C(=O)O AB08751 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.478 c1ccc(cc1)C(CN)C(=O)O AB11929 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.478 c1ccc(cc1)[C@H](CN)C(=O)O AB62462 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.32 CCOC(=O)Cc1ccccn1 AB00728 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.50 CC(CN)Oc1cccc(c1)Br AB38868 [0,2,0,0,0,0|1,0,1]=4 621 B12R1.50 CC(CN)Oc1cccc(c1)Cl AB38860 [0,2,0,0,0,0|1,0,1]=4 622 B12R1.50 CC(CN)Oc1cccc(c1)F AB23638 [0,2,0,0,0,0|1,0,1]=4 623 B12R1.50 COC(=N)Cc1cccc(c1)Br AB60935 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.50 COC(=N)Cc1cccc(c1)F AB60943 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.50 COC(=O)Cc1cccc(c1)F CB10636 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.50 COC(=O)Nc1cc(cnc1)Br MB14337 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.50 COC(=O)Nc1cccc(n1)Br MB11682 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.50 COC(=O)Nc1ccnc(c1)Br MB14322 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.50 Cc1cccc(c1)CC(=N)OC AB60932 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.50 Cc1cccc(c1)OC(C)CN AB23642 [0,2,0,0,0,0|1,0,1]=4 631 B12R1.371 CC(CN)Oc1ccccc1Br AB38866 [0,2,0,0,0,0|1,0,1]=4 632 B12R1.371 CC(CN)Oc1ccccc1Cl AB16403 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.371 CC(CN)Oc1ccccc1F AB23635 [0,2,0,0,0,0|1,0,1]=4 634 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.371 COC(=O)Cc1c(cccn1)Br PB23028 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.371 COC(=O)Cc1ccccc1Br AB42488 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.371 COC(=O)Cc1ccccc1N AB21308 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.371 COC(=O)Cc1cccnc1Cl AB76392 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.371 COC(=O)Cc1ccncc1N AB63978 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.371 Cc1ccccc1OC(C)CN AB23640 [0,2,0,0,0,0|1,0,1]=4 641 B12R1.75 CC(=O)Nc1ccccc1C=O AB29065 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.127 CC(=O)Nc1cc(cnc1Cl)Br AB40834 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.127 CC(C)Oc1cc(ccc1Br)O MB22969 [0,2,0,0,0,0|1,0,1]=4 644 B12R1.127 CC(C)Oc1cc(ccc1Cl)O MB22972 [0,2,0,0,0,0|1,0,1]=4 645 B12R1.127 CC(C)Oc1cc(ccc1F)O MB22948 [0,2,0,0,0,0|1,0,1]=4 646 B12R1.127 CC(C)Oc1cc(ccc1I)O MB22951 [0,2,0,0,0,0|1,0,1]=4 647 B12R1.127 CC(C)Oc1cc(ccc1N)F AB09449 [0,2,0,0,0,0|1,0,1]=4 648 B12R1.127 CC(C)Oc1cc(ccc1N)O MB22955 [0,2,0,0,0,0|1,0,1]=4 649 B12R1.127 CC(C)Oc1cc(ccc1O)Br MB22976 [0,2,0,0,0,0|1,0,1]=4 650 B12R1.127 CC(C)Oc1cc(ccc1O)Cl MB22977 [0,2,0,0,0,0|1,0,1]=4 651 B12R1.127 CC(C)Oc1cc(ccc1O)F MB22871 [0,2,0,0,0,0|1,0,1]=4 652 B12R1.127 CC(C)Oc1cc(ccc1O)I MB22873 [0,2,0,0,0,0|1,0,1]=4 653 B12R1.127 CC(C)Oc1cc(ccc1O)N MB22877 [0,2,0,0,0,0|1,0,1]=4 654 B12R1.127 Cc1ccc(c(c1)OC(C)C)O MB22829 [0,2,0,0,0,0|1,0,1]=4 655 B12R1.127 Cc1ccc(cc1OC(C)C)O MB22921 [0,2,0,0,0,0|1,0,1]=4 656 B12R1.151 CC(C)(C)Oc1ccccc1O MB22200 [0,2,0,0,0,0|1,0,1]=4 657 B12R1.224 CC(C)Oc1cccc(c1Br)O MB23236 [0,2,0,0,0,0|1,0,1]=4 658 B12R1.224 CC(C)Oc1cccc(c1Cl)O MB23238 [0,2,0,0,0,0|1,0,1]=4 659 B12R1.224 CC(C)Oc1cccc(c1F)O MB23211 [0,2,0,0,0,0|1,0,1]=4 660 B12R1.224 CC(C)Oc1cccc(c1I)O MB23215 [0,2,0,0,0,0|1,0,1]=4 661 B12R1.224 CC(C)Oc1cccc(c1N)O MB23219 [0,2,0,0,0,0|1,0,1]=4 662 B12R1.224 CC(C)Oc1cccc(c1O)Br MB04729 [0,2,0,0,0,0|1,0,1]=4 663 B12R1.224 CC(C)Oc1cccc(c1O)Cl MB23245 [0,2,0,0,0,0|1,0,1]=4 664 B12R1.224 CC(C)Oc1cccc(c1O)F MB23178 [0,2,0,0,0,0|1,0,1]=4 665 B12R1.224 CC(C)Oc1cccc(c1O)I MB23180 [0,2,0,0,0,0|1,0,1]=4 666 B12R1.224 CC(C)Oc1cccc(c1O)N MB23185 [0,2,0,0,0,0|1,0,1]=4 667 B12R1.224 Cc1c(cccc1OC(C)C)O MB09429 [0,2,0,0,0,0|1,0,1]=4 668 B12R1.224 Cc1cccc(c1O)OC(C)C MB23167 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.1009 CC(C)Oc1c(cccc1Br)O MB12055 [0,2,0,0,0,0|1,0,1]=4 670 B12R1.1009 CC(C)Oc1c(cccc1Cl)O MB22820 [0,2,0,0,0,0|1,0,1]=4 671 B12R1.1009 CC(C)Oc1c(cccc1F)O MB22807 [0,2,0,0,0,0|1,0,1]=4 672 B12R1.1009 CC(C)Oc1c(cccc1I)O MB22810 [0,2,0,0,0,0|1,0,1]=4 673 B12R1.1009 CC(C)Oc1c(cccc1O)N MB22781 [0,2,0,0,0,0|1,0,1]=4 674 B12R1.1009 Cc1cccc(c1OC(C)C)O MB22780 [0,2,0,0,0,0|1,0,1]=4 675 B12R1.1009 c1cc(c(c(c1)F)CC(=O)O)N AB31835 [0,2,0,0,0,0|2,0,0]=4 676 B12R1.1009 c1cc(c(c(c1)F)CC(=O)O)O AB31842 [0,2,0,0,0,0|2,0,0]=4 677 B12R1.101 CC(C)Oc1cc(cc(c1)Br)O MB12058 [0,2,0,0,0,0|1,0,1]=4 678 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)O MB22919 [0,2,0,0,0,0|1,0,1]=4 679 B12R1.101 CC(C)Oc1cc(cc(c1)F)O MB22905 [0,2,0,0,0,0|1,0,1]=4 680 B12R1.101 CC(C)Oc1cc(cc(c1)I)O MB22908 [0,2,0,0,0,0|1,0,1]=4 681 B12R1.101 CC(C)Oc1cc(cc(c1)O)N MB22874 [0,2,0,0,0,0|1,0,1]=4 682 B12R1.101 Cc1cc(cc(c1)Br)CC(=O)O AB75546 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.101 Cc1cc(cc(c1)CC(=O)O)C AB03133 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.101 Cc1cc(cc(c1)Cl)CC(=O)O AB55225 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.101 Cc1cc(cc(c1)F)CC(=O)O AB13322 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.101 Cc1cc(cc(c1)I)CC(=O)O AB75650 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.101 Cc1cc(cc(c1)N)CC(=O)O AB75518 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.101 Cc1cc(cc(c1)O)CC(=O)O AB70661 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.101 Cc1cc(cc(c1)OC(C)C)O MB22827 [0,2,0,0,0,0|1,0,1]=4 690 B12R1.101 c1c(cc(cc1Br)Br)CC(=O)O AB42985 [0,2,0,0,0,0|2,0,0]=4 691 B12R1.101 c1c(cc(cc1Br)I)CC(=O)O AB75538 [0,2,0,0,0,0|2,0,0]=4 692 B12R1.101 c1c(cc(cc1Cl)Br)CC(=O)O AB75452 [0,2,0,0,0,0|2,0,0]=4 693 B12R1.101 c1c(cc(cc1Cl)Cl)CC(=O)O AB09922 [0,2,0,0,0,0|2,0,0]=4 694 B12R1.101 c1c(cc(cc1Cl)I)CC(=O)O AB75569 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.101 c1c(cc(cc1F)Br)CC(=O)O AB49786 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.101 c1c(cc(cc1F)Cl)CC(=O)O AB16023 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.101 c1c(cc(cc1F)F)CC(=O)O AB01029 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.101 c1c(cc(cc1F)I)CC(=O)O AB75631 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.101 c1c(cc(cc1I)I)CC(=O)O AB64269 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.101 c1c(cc(cc1N)Br)CC(=O)O AB75505 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.101 c1c(cc(cc1N)Cl)CC(=O)O AB75506 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.101 c1c(cc(cc1N)F)CC(=O)O AB78083 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.101 c1c(cc(cc1N)I)CC(=O)O AB75509 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.101 c1c(cc(cc1N)N)CC(=O)O AB78158 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.101 c1c(cc(cc1O)Br)CC(=O)O AB75529 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.101 c1c(cc(cc1O)Cl)CC(=O)O AB75563 [0,2,0,0,0,0|2,0,0]=4 707 B12R1.101 c1c(cc(cc1O)F)CC(=O)O AB75624 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.101 c1c(cc(cc1O)I)CC(=O)O AB78107 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.101 c1c(cc(cc1O)O)CC(=O)O AB15434 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.119 CC(C)(C)Oc1cccc(c1)O MB22165 [0,2,0,0,0,0|1,0,1]=4 711 B12R1.119 CS(=O)(=O)Nc1cccc(c1)O MB03366 [0,2,0,0,0,0|2,0,0]=4 712 B10R2.7 c1cc2c(cco2)nc1 PB26741 [1,0,0,1,0,0|1,0,1]=4 713 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|2,0,0]=4 714 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|2,0,0]=4 715 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [0,0,0,1,0,1|1,0,0]=3 716 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [0,0,0,1,0,1|1,0,0]=3 717 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,0,0,1,0,1|1,0,1]=4 718 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [0,0,0,1,0,1|2,0,0]=4 719 B12R2.24 c1cc2c(nc1)CC(=O)NC2 AB77257 [0,0,0,1,0,1|2,0,0]=4 720 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,0,0,1,0,1|2,0,0]=4 721 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [0,0,0,1,0,1|1,0,0]=3 722 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,1,0,1|1,0,0]=3 723 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,0,0,1,0,1|1,0,1]=4 724 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,0,0,1,0,1|1,0,1]=4 725 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,0,0,1,0,1|1,0,1]=4 726 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,0,0,1,0,1|1,0,0]=3 727 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,0,0,1,0,1|2,0,0]=4 728 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [0,0,0,1,0,1|2,0,0]=4 729 B12R2.24 c1cncc2c1CC(=O)NC2 AB64881 [0,0,0,1,0,1|2,0,0]=4 730 B12R2.24 c1cncc2c1CNC(=O)C2 AB68337 [0,0,0,1,0,1|2,0,0]=4 731 B12R2.294 Cc1ccc(cc1)OC2CC2 MB35889 [0,1,0,1,0,0|1,0,1]=4 732 B12R2.294 c1cc(ccc1N)OC2CC2 MB11809 [0,1,0,1,0,0|1,0,1]=4 733 B12R2.294 c1cc(ccc1O)OC2CC2 MB20165 [0,1,0,1,0,0|1,0,1]=4 734 B12R2.294 c1cc(ccc1OC2CC2)Br MB06312 [0,1,0,1,0,0|1,0,1]=4 735 B12R2.294 c1cc(ccc1OC2CC2)Cl MB49590 [0,1,0,1,0,0|1,0,1]=4 736 B12R2.294 c1cc(ccc1OC2CC2)F MB37870 [0,1,0,1,0,0|1,0,1]=4 737 B12R2.294 c1cc(ccc1OC2CC2)I MB25540 [0,1,0,1,0,0|1,0,1]=4 738 B12R2.606 Cc1cc2cc(ccc2o1)I AB08838 [0,1,0,1,0,0|1,0,0]=3 739 B12R2.606 Cc1ccc2=NC(=O)N=c2c1 AB07026 [0,1,0,1,0,0|2,0,0]=4 740 B12R2.606 Cc1ccc2c(c1)nc(o2)Cl AB43172 [0,1,0,1,0,0|2,0,0]=4 741 B12R2.606 Cc1ccc2c(c1)nc(o2)N AB09696 [0,1,0,1,0,0|2,0,0]=4 742 B12R2.606 Cc1ccc2c(c1)nc(o2)S AB45304 [0,1,0,1,0,0|1,1,0]=4 743 B12R2.606 Cc1ccc2c(c1)oc(n2)Cl AB65043 [0,1,0,1,0,0|2,0,0]=4 744 B12R2.606 Cc1ccc2c(c1)oc(n2)S AB03206 [0,1,0,1,0,0|1,1,0]=4 745 B12R2.606 Cc1ccc2c(n1)CC(=O)N2 AB66460 [0,1,0,1,0,0|2,0,0]=4 746 B12R2.606 Cc1ccc2c(n1)NC(=O)C2 AB73881 [0,1,0,1,0,0|2,0,0]=4 747 B12R2.606 Cc1nc2c(o1)cc(cn2)Br AB63472 [0,1,0,1,0,0|2,0,0]=4 748 B12R2.606 Cc1nc2c(o1)ccc(n2)Br AB63468 [0,1,0,1,0,0|2,0,0]=4 749 B12R2.606 Cc1nc2cc(cnc2o1)Br AB40955 [0,1,0,1,0,0|2,0,0]=4 750 B12R2.606 Cc1nc2cc(cnc2o1)Cl AB41020 [0,1,0,1,0,0|2,0,0]=4 751 B12R2.606 Cc1nc2ccc(cc2o1)Br AB25987 [0,1,0,1,0,0|1,0,0]=3 752 B12R2.606 Cc1nc2ccc(cc2o1)Cl AB49156 [0,1,0,1,0,0|1,0,0]=3 753 B12R2.606 c1c(cnc2c1CC(=O)N2)Br PB18779 [0,1,0,1,0,0|2,0,0]=4 754 B12R2.606 c1c(cnc2c1CC(=O)N2)Cl PB30032 [0,1,0,1,0,0|2,0,0]=4 755 B12R2.606 c1c(cnc2c1CC(=O)N2)F PB30039 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.606 c1c(cnc2c1NC(=O)C2)Br PB24075 [0,1,0,1,0,0|2,0,0]=4 757 B12R2.606 c1c(cnc2c1NC(=O)C2)Cl PB21798 [0,1,0,1,0,0|2,0,0]=4 758 B12R2.606 c1c(cnc2c1oc(=O)[nH]2)N AB65779 [0,1,0,1,0,0|2,0,0]=4 759 B12R2.606 c1c2c(cnc1Br)CC(=O)N2 AB71543 [0,1,0,1,0,0|2,0,0]=4 760 B12R2.606 c1c2c(cnc1Br)NC(=O)C2 PB28320 [0,1,0,1,0,0|2,0,0]=4 761 B12R2.606 c1c2c(cnc1Cl)CC(=O)N2 PB16060 [0,1,0,1,0,0|2,0,0]=4 762 B12R2.606 c1c2c(cnc1Cl)NC(=O)C2 PB31570 [0,1,0,1,0,0|2,0,0]=4 763 B12R2.606 c1cc(nc2c1CC(=O)N2)Br AB66483 [0,1,0,1,0,0|2,0,0]=4 764 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl PB25399 [0,1,0,1,0,0|2,0,0]=4 765 B12R2.606 c1cc(nc2c1NC(=O)C2)Br PB10498 [0,1,0,1,0,0|2,0,0]=4 766 B12R2.606 c1cc(nc2c1NC(=O)C2)Cl PB22129 [0,1,0,1,0,0|2,0,0]=4 767 B12R2.606 c1cc2=NC(=O)N=c2cc1Br AB10496 [0,1,0,1,0,0|2,0,0]=4 768 B12R2.606 c1cc2=NC(=O)N=c2cc1F AB21861 [0,1,0,1,0,0|2,0,0]=4 769 B12R2.606 c1cc2=NC(=O)N=c2cc1I AB21858 [0,1,0,1,0,0|2,0,0]=4 770 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 AB42440 [0,1,0,1,0,0|1,0,0]=3 771 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 PB32208 [0,1,0,1,0,0|1,0,0]=3 772 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [0,1,0,1,0,0|1,0,0]=3 773 B12R2.606 c1cc2c(cc1Br)nc(o2)Cl AB63671 [0,1,0,1,0,0|2,0,0]=4 774 B12R2.606 c1cc2c(cc1Br)nc(o2)N AB09697 [0,1,0,1,0,0|2,0,0]=4 775 B12R2.606 c1cc2c(cc1Br)oc(n2)Cl AB63667 [0,1,0,1,0,0|2,0,0]=4 776 B12R2.606 c1cc2c(cc1Br)oc(n2)N MB01972 [0,1,0,1,0,0|2,0,0]=4 777 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 AB04636 [0,1,0,1,0,0|1,0,0]=3 778 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [0,1,0,1,0,0|1,0,0]=3 779 B12R2.606 c1cc2c(cc1Cl)nc(o2)Cl PB26446 [0,1,0,1,0,0|2,0,0]=4 780 B12R2.606 c1cc2c(cc1Cl)nc(o2)S AB04398 [0,1,0,1,0,0|1,1,0]=4 781 B12R2.606 c1cc2c(cc1Cl)oc(n2)Cl AB32054 [0,1,0,1,0,0|2,0,0]=4 782 B12R2.606 c1cc2c(cc1Cl)oc(n2)N AB09701 [0,1,0,1,0,0|2,0,0]=4 783 B12R2.606 c1cc2c(cc1Cl)oc(n2)S AB07270 [0,1,0,1,0,0|1,1,0]=4 784 B12R2.606 c1cc2c(cc1F)CC(=O)N2 AB11374 [0,1,0,1,0,0|1,0,0]=3 785 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [0,1,0,1,0,0|1,0,0]=3 786 B12R2.606 c1cc2c(cc1F)nc(o2)Cl AB65045 [0,1,0,1,0,0|2,0,0]=4 787 B12R2.606 c1cc2c(cc1F)nc(o2)N AB09694 [0,1,0,1,0,0|2,0,0]=4 788 B12R2.606 c1cc2c(cc1I)CC(=O)N2 MB06441 [0,1,0,1,0,0|1,0,0]=3 789 B12R2.606 c1cc2c(cc1N)CC(=O)N2 PB27577 [0,1,0,1,0,0|1,0,0]=3 790 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [0,1,0,1,0,0|1,0,0]=3 791 B12R2.606 c1cc2c(cc1N)oc(n2)S AB48296 [0,1,0,1,0,0|1,1,0]=4 792 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [0,1,0,1,0,0|1,0,0]=3 793 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 MB14910 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.18 Cn1c2ccccc2nc1Cl AB07066 [0,1,0,1,0,0|2,0,0]=4 796 B12R2.32 CCc1nc2c(o1)cccn2 AB63473 [0,1,0,1,0,0|2,0,0]=4 797 B12R2.32 CNc1nc2ccccc2s1 AB01569 [0,1,0,1,0,0|1,1,0]=4 798 B12R2.32 c1ccc2c(c1)cc(o2)C=O CB10104 [0,1,0,1,0,0|0,0,1]=3 799 B12R2.32 c1ccc2c(c1)cc(s2)CN AB13993 [0,1,0,1,0,0|1,1,0]=4 800 B12R2.32 c1ccc2c(c1)nc(o2)CCl AB22415 [0,1,0,1,0,0|1,0,0]=3 801 B12R2.32 c1ccc2c(c1)nc(o2)CN AB16902 [0,1,0,1,0,0|1,0,0]=3 802 B12R2.32 c1ccc2c(c1)nc(o2)NN AB03197 [0,1,0,1,0,0|2,0,0]=4 803 B12R2.32 c1ccc2c(c1)nc(s2)C=O AB06418 [0,1,0,1,0,0|1,1,0]=4 804 B12R2.32 c1ccc2c(c1)nc(s2)CCl AB22411 [0,1,0,1,0,0|1,1,0]=4 805 B12R2.32 c1ccc2c(c1)nc(s2)CN AB15872 [0,1,0,1,0,0|1,1,0]=4 806 B12R2.2058 c1ccc(cc1)OC2CNC2 PB16142 [0,1,0,1,0,0|1,0,1]=4 807 B12R2.202 Cc1cc2c(o1)c(ccn2)Cl PB30214 [0,1,0,1,0,0|2,0,0]=4 808 B12R2.202 Cc1cc2c(o1)ccnc2Cl AB63958 [0,1,0,1,0,0|2,0,0]=4 809 B12R2.202 Cc1cc2c(o1)ccnc2O AB63957 [0,1,0,1,0,0|2,0,0]=4 810 B12R2.202 Cc1cccc2=NC(=O)N=c12 AB44499 [0,1,0,1,0,0|2,0,0]=4 811 B12R2.202 Cc1cccc2c1nc(o2)S AB64565 [0,1,0,1,0,0|1,1,0]=4 812 B12R2.202 Cc1cccc2c1oc(n2)S AB66120 [0,1,0,1,0,0|1,1,0]=4 813 B12R2.202 Cc1nc2c(cccc2o1)O MB20022 [0,1,0,1,0,0|1,0,0]=3 814 B12R2.202 Cc1nc2c(s1)cccc2Cl MB01603 [0,1,0,1,0,0|1,1,0]=4 815 B12R2.202 Cc1nc2cccc(c2o1)Cl MB20025 [0,1,0,1,0,0|1,0,0]=3 816 B12R2.202 c1c2c(c(cn1)Br)CC(=O)N2 AB66495 [0,1,0,1,0,0|2,0,0]=4 817 B12R2.202 c1c2c(c(cn1)Cl)CC(=O)N2 AB73885 [0,1,0,1,0,0|2,0,0]=4 818 B12R2.202 c1cc(c2c(c1)nc(o2)S)N AB66126 [0,1,0,1,0,0|1,1,0]=4 819 B12R2.202 c1cc(c2c(c1)oc(n2)S)N AB66123 [0,1,0,1,0,0|1,1,0]=4 820 B12R2.202 c1cc2c(c(c1)Br)CC(=O)C2 PB34393 [0,1,0,1,0,0|1,0,0]=3 821 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 PB23473 [0,1,0,1,0,0|1,0,0]=3 822 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 PB17281 [0,1,0,1,0,0|1,0,0]=3 823 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 AB15885 [0,1,0,1,0,0|1,0,0]=3 824 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 AB25436 [0,1,0,1,0,0|1,0,0]=3 825 B12R2.202 c1cc2c(c(c1)Cl)nc(o2)S AB66129 [0,1,0,1,0,0|1,1,0]=4 826 B12R2.202 c1cc2c(c(c1)Cl)oc(n2)N MB01974 [0,1,0,1,0,0|2,0,0]=4 827 B12R2.202 c1cc2c(c(c1)Cl)oc(n2)S AB44916 [0,1,0,1,0,0|1,1,0]=4 828 B12R2.202 c1cc2c(c(c1)F)CC(=O)N2 AB17595 [0,1,0,1,0,0|1,0,0]=3 829 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 AB11394 [0,1,0,1,0,0|1,0,0]=3 830 B12R2.202 c1cc2c(c(c1)F)nc(o2)Cl AB70786 [0,1,0,1,0,0|2,0,0]=4 831 B12R2.202 c1cc2c(c(c1)F)oc(n2)Cl AB70781 [0,1,0,1,0,0|2,0,0]=4 832 B12R2.202 c1cc2c(c(c1)O)CC(=O)N2 AB13551 [0,1,0,1,0,0|1,0,0]=3 833 B12R2.202 c1cnc(c2c1NC(=O)C2)Br AB66493 [0,1,0,1,0,0|2,0,0]=4 834 B12R2.202 c1cnc(c2c1NC(=O)C2)Cl AB66490 [0,1,0,1,0,0|2,0,0]=4 835 B12R2.202 c1cnc(c2c1NC(=O)C2)N AB73887 [0,1,0,1,0,0|2,0,0]=4 836 B12R2.202 c1cnc2c(c1Br)CC(=O)N2 AB65563 [0,1,0,1,0,0|2,0,0]=4 837 B12R2.202 c1cnc2c(c1Cl)CC(=O)N2 PB29827 [0,1,0,1,0,0|2,0,0]=4 838 B12R2.202 c1cnc2c(c1F)CC(=O)N2 PB11030 [0,1,0,1,0,0|2,0,0]=4 839 B12R2.202 c1cnc2c(c1N)CC(=O)N2 AB73878 [0,1,0,1,0,0|2,0,0]=4 840 B12R2.225 Cc1ccccc1OC2CC2 MB25701 [0,1,0,1,0,0|1,0,1]=4 841 B12R2.225 c1ccc(c(c1)N)OC2CC2 MB20137 [0,1,0,1,0,0|1,0,1]=4 842 B12R2.225 c1ccc(c(c1)O)OC2CC2 MB06816 [0,1,0,1,0,0|1,0,1]=4 843 B12R2.225 c1ccc(c(c1)OC2CC2)Br MB25567 [0,1,0,1,0,0|1,0,1]=4 844 B12R2.225 c1ccc(c(c1)OC2CC2)Cl MB36032 [0,1,0,1,0,0|1,0,1]=4 845 B12R2.225 c1ccc(c(c1)OC2CC2)F MB26509 [0,1,0,1,0,0|1,0,1]=4 846 B12R2.225 c1ccc(c(c1)OC2CC2)I MB32394 [0,1,0,1,0,0|1,0,1]=4 847 B12R2.1286 Cc1cccc(c1)OC2CC2 MB37981 [0,1,0,1,0,0|1,0,1]=4 848 B12R2.1286 c1cc(cc(c1)Br)OC2CC2 MB25628 [0,1,0,1,0,0|1,0,1]=4 849 B12R2.1286 c1cc(cc(c1)Cl)OC2CC2 MB35340 [0,1,0,1,0,0|1,0,1]=4 850 B12R2.1286 c1cc(cc(c1)F)OC2CC2 MB25673 [0,1,0,1,0,0|1,0,1]=4 851 B12R2.1286 c1cc(cc(c1)I)OC2CC2 MB38226 [0,1,0,1,0,0|1,0,1]=4 852 B12R2.1286 c1cc(cc(c1)OC2CC2)N MB11814 [0,1,0,1,0,0|1,0,1]=4 853 B12R2.1286 c1cc(cc(c1)OC2CC2)O MB20161 [0,1,0,1,0,0|1,0,1]=4 854 B12R2.1286 c1cc(cc(c1)S)OC2CC2 MB20192 [0,1,0,1,0,0|1,0,1]=4 855 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [0,0,0,0,2,0|1,0,1]=4 856 B8R1.7 CC(=O)c1ccsc1 PB17033 [0,0,0,0,2,0|1,0,0]=3 857 B8R1.7 CC(=O)c1cocn1 AB73503 [0,0,0,0,2,0|2,0,0]=4 858 B8R1.7 CC(=O)c1ncco1 AB42105 [0,0,0,0,2,0|2,0,0]=4 859 B8R1.7 c1cocc1C(=O)O PB30525 [0,0,0,0,2,0|2,0,0]=4 860 B8R1.7 c1cscc1C(=O)O PB18386 [0,0,0,0,2,0|2,0,0]=4 861 B12R1.252 c1ccc(cc1)CNCC(=O)O AB04524 [0,0,0,0,0,2|2,0,0]=4 862 B12R1.252 c1ccc(cc1)COCC(=O)Cl CB10078 [0,0,0,0,0,2|1,0,0]=3 863 B12R1.252 c1ccc(cc1)COCC(=O)O CB10355 [0,0,0,0,0,2|1,0,0]=3 864 B12R1.252 c1ccc(cc1)NCCC(=O)N MB02383 [0,0,0,0,0,2|2,0,0]=4 865 B12R1.252 c1ccc(cc1)NCCC(=O)O MB00619 [0,0,0,0,0,2|2,0,0]=4 866 B12R1.252 c1ccc(cc1)OCCC(=O)O AB00261 [0,0,0,0,0,2|1,0,0]=3