0 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(=O)Cc1ncccn1 MB07248 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 CC(=O)Nc1ccncc1 AB06982 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 CC(C)Oc1ccccn1 AB63711 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.18 CC(Cc1ccncc1)N AB28531 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.18 CC(Cc1cnccn1)N AB28467 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,0,0,0,0,0|0,0,0]=0 12 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,0,0,0,0,0|0,0,0]=0 13 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,0,0,0,0,0|1,0,1]=2 15 B9R1.8 C#CCc1ccccn1 AB73234 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.8 C#CCc1cccnc1 AB61408 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 CNCc1ccnnc1 PB24326 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 CNCc1cnccn1 PB18749 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 CNCc1cncnc1 PB33284 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 CNCc1ncccn1 PB29842 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 c1c(cncn1)CCN AB45406 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 c1c(cncn1)CNN PB19654 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 c1cc(cnc1)CNN PB16271 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 c1cc(nnc1)CCN AB61130 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 c1cc(nnc1)CNN PB37174 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|1,0,2]=4 32 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 c1ccnc(c1)CC#N AB00727 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.8 c1ccnc(c1)CNN PB19014 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 c1cnc(cn1)CCN AB22666 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 c1cnc(cn1)CNN PB20222 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 c1cnc(nc1)CCN AB55156 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 c1cnc(nc1)CNN PB21406 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 c1cnccc1CCN AB01702 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.8 c1cnccc1CNN PB10342 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 c1cncnc1CCN PB14818 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 c1cnncc1CCN AB62610 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 c1cnncc1CNN PB35490 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.20 CC(C)Cc1cnc(cn1)Br AB72274 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.20 CC(C)Cc1cnc(cn1)Cl AB73109 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.20 CC(C)Cc1cnc(cn1)N AB60522 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.20 CC(C)Cc1cnc(nc1)N AB60175 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.20 CC(C)Cc1ncc(cn1)N AB58993 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.20 CC(C)Oc1ccc(cn1)Br MB04495 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.20 CC(C)Oc1ccc(cn1)N AB40632 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.20 CC(C)Oc1ccc(nc1)Br MB13762 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,1,0,0,0,0|0,0,0]=1 58 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,1,0,0,0,0|0,0,0]=1 59 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,1,0,0,0,0|0,0,0]=1 62 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,1,0,0,0,0|0,0,0]=1 63 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,1,0,0,0,0|0,0,0]=1 64 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,1,0,0,0,0|0,0,0]=1 65 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,1,0,0,0,0|0,0,0]=1 67 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.20 c1cc(ccc1N=C(N)N)Cl AB04678 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.36 c1ccc(cc1)C(C(F)F)N AB28541 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.40 CC(CN)Oc1ccncc1 AB38917 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,1,0,0,0,0|0,0,0]=1 79 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,1,0,0,0,0|0,0,2]=3 80 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,1,0,0,0,0|1,0,2]=4 84 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,1,0,0,0,0|0,0,0]=1 86 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,1,0,0,0,0|0,0,0]=1 87 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,1,0,0,0,0|0,0,0]=1 88 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,1,0,0,0,0|0,0,0]=1 89 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.86 CC(C)Oc1c(cccn1)I AB25867 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.86 CC(C)Oc1ccncc1O MB23246 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.86 CC(C)Oc1cnccc1O MB23247 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,1,0,0,0,0|0,0,0]=1 95 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,1,0,0,0,0|0,0,0]=1 96 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.86 CN(C)Cc1ccccc1N AB01574 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,1,0,0,0,0|0,0,0]=1 99 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F AB16515 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.157 CC(C)Nc1cc(ccn1)Br MB13934 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.157 CC(C)Oc1cc(ccn1)Br MB10313 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.157 CC(C)Oc1cc(ccn1)O MB23248 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.157 CC(C)Oc1cc(cnc1)Br MB14161 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.157 CC(C)Oc1cc(cnc1)O MB14428 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.157 CC(C)Oc1cccc(c1)O MB09279 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.157 CC(C)Oc1cccc(n1)Br AB54102 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.157 CC(C)Oc1ccnc(c1)Cl MB13766 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [0,1,0,0,0,0|0,0,0]=1 114 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [0,1,0,0,0,0|0,0,0]=1 115 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [0,1,0,0,0,0|0,0,0]=1 118 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [0,1,0,0,0,0|0,0,0]=1 119 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [0,1,0,0,0,0|0,0,0]=1 120 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [0,1,0,0,0,0|0,0,0]=1 122 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.157 c1cc(cc(c1)Br)CC(=N)N AB60873 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.157 c1cc(cc(c1)Cl)NC(=N)N AB43838 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.157 c1cc(cc(c1)F)CC(=N)N AB49997 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.509 CC(C)(C)Oc1cccnc1 MB01044 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.509 CC(C)(Cc1ccccc1)N AB02355 [0,1,0,0,0,0|0,0,0]=1 132 B11R1.509 CC(C)(Cc1ccccn1)N AB76319 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.509 CC(C)(Cc1cccnc1)N AB77415 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.509 CC(C)(Cc1ccncc1)N AB76603 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.509 CC(C)(Cc1ccncn1)N AB77438 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.509 CC(C)(Cc1cncnc1)N AB77449 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.509 CC(C)(Cc1ncccn1)N AB77436 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.509 [B-](Cc1ccccc1)(F)(F)F AB15065 [0,1,0,0,0,0|3,0,0]=4 139 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,0,0,1,0,0|0,0,0]=1 140 B11R2.10 Cn1cc2ccccc2n1 PB15684 [0,0,0,1,0,0|1,0,2]=4 141 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [0,0,0,1,0,0|2,0,1]=4 142 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [0,0,0,1,0,0|2,0,1]=4 143 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [0,0,0,1,0,0|1,0,1]=3 144 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [0,0,0,1,0,0|1,0,0]=2 145 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [0,0,0,1,0,0|0,0,0]=1 146 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [0,0,0,1,0,0|1,0,0]=2 147 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [0,0,0,1,0,0|2,0,1]=4 148 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [0,0,0,1,0,0|2,0,1]=4 149 B11R2.238 c1cc(cnc1)OC2CC2 MB19977 [0,0,0,1,0,0|3,0,0]=4 150 B11R2.238 c1ccnc(c1)OC2CC2 MB19961 [0,0,0,1,0,0|3,0,0]=4 151 B11R2.238 c1cnccc1OC2CC2 MB19994 [0,0,0,1,0,0|3,0,0]=4 152 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,0,0,0,1,0|2,0,1]=4 153 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,0,0,0,1,0|2,0,1]=4 154 B9R1.6 CC(=O)c1ccncc1 AB00760 [0,0,0,0,1,0|2,0,1]=4 155 B9R1.6 CC(C)c1ccccn1 PB21659 [0,0,0,0,1,0|2,0,0]=3 156 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,0,0,0,1,0|1,0,0]=2 157 B9R1.6 CC(c1ccccn1)N AB21604 [0,0,0,0,1,0|1,0,0]=2 158 B9R1.6 CC(c1cccnc1)N AB09764 [0,0,0,0,1,0|1,0,0]=2 159 B9R1.6 CC(c1ccncc1)N AB11609 [0,0,0,0,1,0|1,0,0]=2 160 B9R1.6 CC(c1ccncn1)N PB34498 [0,0,0,0,1,0|2,0,0]=3 161 B9R1.6 CC(c1ccnnc1)N PB22705 [0,0,0,0,1,0|2,0,0]=3 162 B9R1.6 CC(c1cnccn1)N PB14922 [0,0,0,0,1,0|2,0,0]=3 163 B9R1.6 CC(c1cncnc1)N PB22435 [0,0,0,0,1,0|2,0,0]=3 164 B9R1.6 CC(c1ncccn1)N AB59468 [0,0,0,0,1,0|2,0,0]=3 165 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,0,0,0,1,0|1,0,0]=2 166 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [0,0,0,0,1,0|1,0,0]=2 167 B9R1.6 C[C@@H](c1cncnc1)N PB15383 [0,0,0,0,1,0|2,0,0]=3 168 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,0,0,0,1,0|1,0,0]=2 169 B9R1.6 C[C@H](c1ccncc1)N AB49745 [0,0,0,0,1,0|1,0,0]=2 170 B9R1.6 C[C@H](c1cncnc1)N PB28768 [0,0,0,0,1,0|2,0,0]=3 171 B9R1.6 c1cc(cnc1)C(F)F AB64034 [0,0,0,0,1,0|3,0,0]=4 172 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [0,0,0,0,1,0|1,0,1]=3 173 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [0,0,0,0,1,0|2,0,1]=4 174 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [0,0,0,0,1,0|2,0,1]=4 175 B9R1.6 c1ccnc(c1)C(F)F AB64042 [0,0,0,0,1,0|3,0,0]=4 176 B9R1.6 c1cnccc1C(=N)N MB02852 [0,0,0,0,1,0|2,0,1]=4 177 B9R1.6 c1cnccc1C(=S)N AB00764 [0,0,0,0,1,0|2,0,1]=4 178 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [0,0,0,0,0,1|3,0,0]=4 179 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,0,0,0,0,1|2,0,1]=4 180 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,0,0,0,1|1,0,2]=4 181 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,0,0,0,0,1|1,0,1]=3 182 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|2,0,0]=4 184 B8R1.2 c1c(cncn1)CN PB26277 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|1,0,0]=3 187 B8R1.2 c1cc(cnc1)NN AB42924 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 c1cc(cnc1)NN PB18886 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 c1cc(nnc1)CN PB29341 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|1,0,0]=3 193 B8R1.2 c1cnc(cn1)CN PB14180 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.2 c1cnc(nc1)CN CB11589 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.2 c1cnc(nc1)CN PB23443 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.2 c1cnccc1CCl AB15539 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.2 c1cnccc1CN AB00767 [2,0,0,0,0,0|1,0,0]=3 198 B8R1.2 c1cnccc1NN PB27392 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 c1cnccc1ON AB31585 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.2 c1cncnc1CN PB10439 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 c1cnncc1CN PB31361 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [1,1,0,0,0,0|0,0,2]=4 203 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [1,1,0,0,0,0|0,0,2]=4 204 B10R1.1 C#CCc1ccc(cc1)F AB61384 [1,1,0,0,0,0|0,0,2]=4 205 B10R1.1 C#CCc1ccc(cc1)I AB73225 [1,1,0,0,0,0|0,0,2]=4 206 B10R1.1 CCCc1ncc(cn1)Cl AB59170 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.1 CCNc1ccc(cn1)Br AB51199 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.1 CCOc1ccc(cn1)Br AB05210 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.1 CCOc1ccc(cn1)N AB09602 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.1 CNCc1ccc(cn1)Br AB49704 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.1 CNCc1ccc(cn1)Cl AB67610 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.1 CNCc1ccc(cn1)F AB67668 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.1 CNCc1ccc(cn1)N AB67748 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.1 CNCc1ccc(nc1)Br AB67269 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.1 CNCc1ccc(nc1)Cl AB52618 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.1 Cc1ccc(cn1)CCN AB55173 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.1 Cc1ccc(cn1)CNC AB63786 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.1 Cc1ccc(nc1)CCN AB31467 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.1 Cc1ccc(nc1)CNC AB67504 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.1 Cc1cnc(cn1)CCN AB69468 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.1 Cc1cnc(nc1)CCN AB59260 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.1 Cc1ncc(cn1)CCN AB59372 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.1 c1c(cnc(n1)CCN)Cl AB58674 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.1 c1c(cnc(n1)CCN)F AB59267 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.1 c1c(cnc(n1)Cl)CCN AB59374 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.1 c1cc(ccc1CC#N)F AB00175 [1,1,0,0,0,0|0,0,2]=4 229 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.1 c1cc(ccc1CC=O)F AB11805 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.1 c1cc(ccc1CC=O)N AB27688 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.1 c1cc(ccc1CCBr)N MB02970 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.1 c1cc(ccc1CCN)Br AB00934 [1,1,0,0,0,0|0,0,0]=2 235 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [1,1,0,0,0,0|0,0,0]=2 236 B10R1.1 c1cc(ccc1CCN)F AB03730 [1,1,0,0,0,0|0,0,0]=2 237 B10R1.1 c1cc(ccc1CCN)N AB00936 [1,1,0,0,0,0|0,0,0]=2 238 B10R1.1 c1cc(ccc1CCO)Br AB00280 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.1 c1cc(ccc1CNN)Br PB32548 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.1 c1cc(ccc1CNN)F PB20964 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.1 c1cc(ncc1Br)CCN PB20258 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.1 c1cc(ncc1Br)CCO PB14792 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.1 c1cc(ncc1CCN)Br AB45460 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.1 c1cc(ncc1CCN)N AB76809 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.1 c1cc(ncc1F)CCN AB45484 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.1 c1cc(ncc1N)CCN AB67762 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.1 c1cc(ncc1O)CCN AB67805 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.4 CCCc1cncnc1Cl AB55649 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.4 CCOc1c(cccn1)Br AB05207 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.4 CCOc1c(cccn1)I AB05213 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.4 CCOc1ccncc1Br MB01009 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.4 CNCc1c(cccn1)F PB12566 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.4 CNCc1cccnc1Cl AB53845 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.4 CNCc1cnccc1Br AB67968 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.4 CNCc1cnccc1Cl AB67984 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.4 CNCc1cnccc1F AB68060 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.4 Cc1c(cccn1)CNC AB66889 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.4 Cc1cccnc1CCN AB31462 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.4 Cc1ccncc1CCN AB55157 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.4 Cc1ccncc1CNC AB67828 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [1,1,0,0,0,0|0,0,2]=4 274 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [1,1,0,0,0,0|0,0,2]=4 275 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|0,0,0]=2 276 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|0,0,0]=2 277 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.4 c1cncc(c1Br)CCN AB45481 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.4 c1cncc(c1Cl)CCN AB68002 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.4 c1cncc(c1F)CCN AB55177 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.10 C#CCc1cccc(c1)Br AB61399 [1,1,0,0,0,0|0,0,2]=4 284 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [1,1,0,0,0,0|0,0,2]=4 285 B10R1.10 C#CCc1cccc(c1)I AB73228 [1,1,0,0,0,0|0,0,2]=4 286 B10R1.10 CCCc1cccc(n1)N AB03673 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.10 CCCc1ccnc(c1)N AB03633 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.10 CCOc1cc(ccn1)Br AB05209 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.10 CCOc1cc(ccn1)N AB05301 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.10 CCOc1cc(cnc1)Br AB05134 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.10 CCOc1cccc(n1)Br AB05279 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.10 CCOc1cccc(n1)N AB05302 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.10 CCOc1ccnc(c1)N AB09620 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.10 CNCc1cc(ccn1)Br AB40680 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.10 CNCc1cc(ccn1)Cl AB40676 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.10 CNCc1cc(ccn1)F AB68057 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.10 CNCc1cc(ccn1)N AB40666 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.10 CNCc1cc(cnc1)Br AB41067 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.10 CNCc1cc(cnc1)Cl AB67611 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.10 CNCc1cc(cnc1)F AB67670 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.10 CNCc1cc(cnc1)N AB67751 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.10 CNCc1cccc(n1)Br AB48344 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.10 CNCc1cccc(n1)Cl AB67315 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.10 CNCc1cccc(n1)F AB72833 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.10 CNCc1ccnc(c1)Br AB67272 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.10 CNCc1ccnc(c1)Cl AB25401 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.10 Cc1cc(ccn1)CCN AB55165 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.10 Cc1cc(ccn1)CNC AB53841 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.10 Cc1cc(cnc1)CCN AB55190 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.10 Cc1cc(cnc1)CNC AB67507 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.10 Cc1cc(ncn1)CCN AB64311 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.10 Cc1cccc(c1)CC=O AB11815 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.10 Cc1cccc(n1)CCN AB17067 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.10 Cc1cccc(n1)CNC AB01381 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.10 Cc1ccnc(c1)CNC AB52584 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.10 Cc1ccnc(n1)CCN AB59280 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.10 c1c(cncc1Br)CCN AB41071 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.10 c1c(cncc1Br)CNN PB37854 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.10 c1c(cncc1Cl)CCN AB67621 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.10 c1c(cncc1F)CCN AB55166 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.10 c1c(cncc1N)CCN AB67760 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [1,1,0,0,0,0|0,0,2]=4 325 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,1,0,0,0,0|0,0,0]=2 327 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,1,0,0,0,0|0,0,0]=2 330 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [1,1,0,0,0,0|0,0,2]=4 334 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,1,0,0,0,0|0,0,0]=2 335 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [1,1,0,0,0,0|0,0,2]=4 336 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.10 c1cnc(cc1Br)CCN AB55853 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.10 c1cnc(cc1CCBr)F AB72866 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.10 c1cnc(cc1CCN)Br AB45468 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.10 c1cnc(cc1CCN)F AB55184 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.10 c1cnc(cc1F)CCN AB55195 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.10 c1cnc(nc1Cl)CCN AB58890 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.10 c1cnc(nc1N)CCN AB59298 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.10 c1cnc(nc1O)CCN AB59283 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.15 CC(c1cccnc1)NC CB11165 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.15 CCC(=O)c1ccccn1 AB01373 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.15 CCC(c1cnccn1)N PB31632 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,1,0,0,0,0|0,0,0]=2 357 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,1,0,0,0,0|0,0,0]=2 358 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.17 CNCCc1cccnc1 AB10676 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.17 CNCCc1ccncc1 AB02055 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.17 c1cc(cnc1)CCCN AB54556 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,1,0,0,0,0|0,0,1]=3 367 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.17 c1ccnc(c1)CCCN AB30458 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.17 c1ccnc(c1)OCCN AB03271 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.17 c1cnc(nc1)NCCN AB49586 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.17 c1cnccc1CCC=O AB49299 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.17 c1cnccc1CCCN AB43583 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [0,1,0,0,1,0|1,0,1]=4 376 B10R1.13 CC(C)c1ccc(cn1)Br MB11629 [0,1,0,0,1,0|2,0,0]=4 377 B10R1.13 CC(C)c1ccc(cn1)N PB22166 [0,1,0,0,1,0|2,0,0]=4 378 B10R1.13 CC(C)c1ccc(cn1)O MB08432 [0,1,0,0,1,0|2,0,0]=4 379 B10R1.13 CC(C)c1ccc(nc1)Br MB10296 [0,1,0,0,1,0|2,0,0]=4 380 B10R1.13 CC(c1ccc(cn1)F)N PB27166 [0,1,0,0,1,0|1,0,0]=3 381 B10R1.13 CC(c1ccc(nc1)Br)N AB67301 [0,1,0,0,1,0|1,0,0]=3 382 B10R1.13 CC(c1ccc(nc1)Cl)N AB67348 [0,1,0,0,1,0|1,0,0]=3 383 B10R1.13 CC(c1ncc(cn1)Cl)N AB59171 [0,1,0,0,1,0|2,0,0]=4 384 B10R1.13 CC(c1ncc(cn1)F)N PB11305 [0,1,0,0,1,0|2,0,0]=4 385 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [0,1,0,0,1,0|2,0,0]=4 386 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [0,1,0,0,1,0|2,0,0]=4 387 B10R1.13 C[C@@H](c1ccc(nc1)Cl)N AB49730 [0,1,0,0,1,0|1,0,0]=3 388 B10R1.13 C[C@@H](c1ncc(cn1)F)N AB73466 [0,1,0,0,1,0|2,0,0]=4 389 B10R1.13 C[C@H](c1ccc(nc1)Cl)N AB49726 [0,1,0,0,1,0|1,0,0]=3 390 B10R1.13 C[C@H](c1ncc(cn1)F)N AB73465 [0,1,0,0,1,0|2,0,0]=4 391 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [0,1,0,0,1,0|1,0,1]=4 392 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [0,1,0,0,1,0|1,0,1]=4 393 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [0,1,0,0,1,0|1,0,0]=3 394 B10R1.13 Cc1cnc(nc1)C(C)N AB59472 [0,1,0,0,1,0|2,0,0]=4 395 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [0,1,0,0,1,0|1,0,1]=4 396 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [0,1,0,0,1,0|1,0,1]=4 397 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [0,1,0,0,1,0|1,0,1]=4 398 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [0,1,0,0,1,0|1,0,1]=4 399 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [0,1,0,0,1,0|1,0,1]=4 400 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [0,1,0,0,1,0|1,0,1]=4 401 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [0,1,0,0,1,0|1,0,1]=4 402 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [0,1,0,0,1,0|1,0,1]=4 403 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [0,1,0,0,1,0|1,0,1]=4 404 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [0,1,0,0,1,0|1,0,1]=4 405 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [0,1,0,0,1,0|1,0,1]=4 406 B10R1.28 CC(C)(C)c1ccccn1 CB10120 [0,1,0,0,1,0|2,0,0]=4 407 B10R1.28 CC(C)(c1ccccn1)N AB48746 [0,1,0,0,1,0|1,0,0]=3 408 B10R1.28 CC(C)(c1cccnc1)N AB48740 [0,1,0,0,1,0|1,0,0]=3 409 B10R1.28 CC(C)(c1ccncc1)N AB48742 [0,1,0,0,1,0|1,0,0]=3 410 B10R1.61 CC(C)c1c(cccn1)O MB22687 [0,1,0,0,1,0|2,0,0]=4 411 B10R1.61 CC(C)c1ccncc1O MB22678 [0,1,0,0,1,0|2,0,0]=4 412 B10R1.61 CC(C)c1cnccc1O MB22684 [0,1,0,0,1,0|2,0,0]=4 413 B10R1.61 CC(c1cccnc1Br)N AB41828 [0,1,0,0,1,0|1,0,0]=3 414 B10R1.61 CC(c1cccnc1Cl)N AB67346 [0,1,0,0,1,0|1,0,0]=3 415 B10R1.61 CC(c1cnccc1Cl)N AB68000 [0,1,0,0,1,0|1,0,0]=3 416 B10R1.61 CN(C)c1ccccc1O MB08302 [0,1,0,0,1,0|2,0,0]=4 417 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [0,1,0,0,1,0|2,0,0]=4 418 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [0,1,0,0,1,0|1,0,0]=3 419 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,1,0,0,1,0|1,0,1]=4 420 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,1,0,0,1,0|1,0,1]=4 421 B10R1.61 Cc1ccncc1C(C)N AB67850 [0,1,0,0,1,0|1,0,0]=3 422 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [0,1,0,0,1,0|1,0,1]=4 423 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [0,1,0,0,1,0|1,0,1]=4 424 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [0,1,0,0,1,0|1,0,1]=4 425 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,1,0,0,1,0|1,0,1]=4 426 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [0,1,0,0,1,0|1,0,1]=4 427 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [0,1,0,0,1,0|1,0,1]=4 428 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [0,1,0,0,1,0|1,0,1]=4 429 B10R1.113 CC(C)c1cc(ccn1)O MB11626 [0,1,0,0,1,0|2,0,0]=4 430 B10R1.113 CC(C)c1cc(cnc1)Br MB14162 [0,1,0,0,1,0|2,0,0]=4 431 B10R1.113 CC(C)c1cc(cnc1)O MB22682 [0,1,0,0,1,0|2,0,0]=4 432 B10R1.113 CC(C)c1cccc(n1)Br MB09496 [0,1,0,0,1,0|2,0,0]=4 433 B10R1.113 CC(C)c1ccnc(c1)Cl MB13722 [0,1,0,0,1,0|2,0,0]=4 434 B10R1.113 CC(c1cc(cnc1)Br)N AB41075 [0,1,0,0,1,0|1,0,0]=3 435 B10R1.113 CC(c1cccc(n1)Br)N AB67302 [0,1,0,0,1,0|1,0,0]=3 436 B10R1.113 CC(c1cccc(n1)Cl)N AB67350 [0,1,0,0,1,0|1,0,0]=3 437 B10R1.113 CC(c1ccnc(c1)Cl)N AB67353 [0,1,0,0,1,0|1,0,0]=3 438 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [0,1,0,0,1,0|0,0,0]=2 439 B10R1.113 C[C@@H](c1ccnc(c1)Cl)N AB49742 [0,1,0,0,1,0|1,0,0]=3 440 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [0,1,0,0,1,0|0,0,0]=2 441 B10R1.113 C[C@H](c1ccnc(c1)Cl)N AB49740 [0,1,0,0,1,0|1,0,0]=3 442 B10R1.113 Cc1cc(ccn1)C(C)N AB66941 [0,1,0,0,1,0|1,0,0]=3 443 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [0,1,0,0,1,0|1,0,1]=4 444 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [0,1,0,0,1,0|1,0,1]=4 445 B10R1.113 Cc1cccc(n1)C(C)N AB25816 [0,1,0,0,1,0|1,0,0]=3 446 B10R1.113 Cc1ccnc(n1)C(C)N AB59470 [0,1,0,0,1,0|2,0,0]=4 447 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [0,1,0,0,1,0|1,0,1]=4 448 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [0,1,0,0,1,0|1,0,1]=4 449 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [0,1,0,0,1,0|1,0,1]=4 450 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [0,1,0,0,1,0|1,0,1]=4 451 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [0,1,0,0,1,0|1,0,1]=4 452 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [0,1,0,0,1,0|1,0,1]=4 453 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [0,1,0,0,1,0|1,0,1]=4 454 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [0,1,0,0,1,0|1,0,1]=4 455 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [0,1,0,0,1,0|1,0,1]=4 456 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [0,1,0,0,1,0|1,0,1]=4 457 B10R1.281 CC(C)(Cc1[nH]ccn1)N AB77403 [0,1,0,0,1,0|2,0,0]=4 458 B10R1.281 CC(C)(Cc1ncco1)N AB77412 [0,1,0,0,1,0|2,0,0]=4 459 B10R1.281 CC(C)(Cc1nccs1)N AB54597 [0,1,0,0,1,0|2,0,0]=4 460 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [0,1,0,0,0,1|1,0,1]=4 461 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [0,1,0,0,0,1|1,0,1]=4 462 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [0,1,0,0,0,1|1,0,1]=4 463 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [0,1,0,0,0,1|1,0,1]=4 464 B12R1.21 CN(C)CCc1ccc(cc1)N AB18473 [0,1,0,0,0,1|2,0,0]=4 465 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [0,1,0,0,0,1|1,0,1]=4 466 B12R1.21 c1cc(ccc1CNC(=N)N)N AB48587 [0,1,0,0,0,1|1,0,1]=4 467 B12R1.21 c1cc(ccc1OCC(=N)N)F AB08309 [0,1,0,0,0,1|1,0,1]=4 468 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [0,1,0,0,0,1|0,0,0]=2 469 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [0,1,0,0,0,1|1,0,1]=4 470 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [0,1,0,0,0,1|1,0,1]=4 471 B12R1.125 CC(C)COc1c(cccn1)Br AB68532 [0,1,0,0,0,1|2,0,0]=4 472 B12R1.125 c1ccc(c(c1)CNC(=N)N)N AB54835 [0,1,0,0,0,1|1,0,1]=4 473 B12R1.226 CC(=O)COc1cccc(c1)Br AB26134 [0,1,0,0,0,1|1,0,1]=4 474 B12R1.226 CC(=O)COc1cccc(c1)Cl AB26133 [0,1,0,0,0,1|1,0,1]=4 475 B12R1.226 CC(=O)COc1cccc(c1)F AB26135 [0,1,0,0,0,1|1,0,1]=4 476 B12R1.226 Cc1cccc(c1)OCC(=O)C AB26138 [0,1,0,0,0,1|1,0,1]=4 477 B12R1.226 c1cc(cc(c1)Br)CCC(=O)N AB64468 [0,1,0,0,0,1|1,0,1]=4 478 B12R1.226 c1cc(cc(c1)N)CNC(=N)N AB54828 [0,1,0,0,0,1|1,0,1]=4 479 B12R1.891 CC(C)(CCc1ccccc1)N AB03652 [0,1,0,0,0,1|0,0,0]=2 480 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [0,2,0,0,0,0|1,0,1]=4 481 B12R1.4 CC(C)Oc1ccc(cc1)NN AB27890 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.4 CC(Cc1ccc(cc1)OC)N MB01555 [0,2,0,0,0,0|0,0,0]=2 483 B12R1.4 COc1ccc(cc1)CC(=N)N AB09931 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.4 C[C@@H](Cc1ccc(cc1)OC)N AB70588 [0,2,0,0,0,0|0,0,0]=2 485 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N AB51426 [0,2,0,0,0,0|0,0,0]=2 486 B12R1.19 CC(C)Oc1ccc(c(c1)Br)O MB23095 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)O MB23097 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.19 CC(C)Oc1ccc(c(c1)F)N AB09448 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.19 CC(C)Oc1ccc(c(c1)F)O MB23076 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.19 CC(C)Oc1ccc(c(c1)I)O MB23080 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.19 CC(C)Oc1ccc(c(c1)N)O MB23087 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.19 CC(C)Oc1ccc(c(c1)O)Br MB23146 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.19 CC(C)Oc1ccc(c(c1)O)Cl MB23153 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.19 CC(C)Oc1ccc(c(c1)O)F MB23035 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.19 CC(C)Oc1ccc(c(c1)O)I MB23037 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.19 CC(C)Oc1ccc(c(c1)O)N MB23047 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.19 Cc1cc(ccc1O)OC(C)C MB23056 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.19 Cc1ccc(cc1O)OC(C)C MB23001 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N MB00597 [0,2,0,0,0,0|0,0,0]=2 500 B12R1.49 CC(CN)Oc1ccc(cc1)Br AB38871 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.49 CC(CN)Oc1ccc(cc1)Cl AB38863 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.49 CC(CN)Oc1ccc(cc1)F AB12553 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.49 COC(=N)Cc1ccc(cc1)Br AB60928 [0,2,0,0,0,0|0,0,2]=4 504 B12R1.49 COC(=N)Cc1ccc(cc1)Cl AB60925 [0,2,0,0,0,0|0,0,2]=4 505 B12R1.49 COC(=N)Cc1ccc(cc1)F AB60924 [0,2,0,0,0,0|0,0,2]=4 506 B12R1.49 COC(=O)Cc1ccc(cc1)Br PB24610 [0,2,0,0,0,0|1,0,1]=4 507 B12R1.49 Cc1ccc(cc1)CC(=N)OC AB60933 [0,2,0,0,0,0|0,0,2]=4 508 B12R1.49 Cc1ccc(cc1)OC(C)CN AB16399 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.49 Cc1ccc(cn1)OC(C)CN AB38918 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.49 c1cc(ccc1CC(C#N)O)F AB13917 [0,2,0,0,0,0|1,0,1]=4 511 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O MB00396 [0,2,0,0,0,0|0,0,0]=2 512 B12R1.106 CC(C)(C)Cc1ccc(cc1)O AB16670 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.106 CC(C)(Cc1ccc(cc1)Br)N AB64460 [0,2,0,0,0,0|0,0,0]=2 514 B12R1.106 CC(C)(Cc1ccc(cc1)Cl)N AB02276 [0,2,0,0,0,0|0,0,0]=2 515 B12R1.106 CC(C)(Cc1ccc(cc1)F)N AB03122 [0,2,0,0,0,0|0,0,0]=2 516 B12R1.106 CC(C)(Cc1ccc(cc1)I)N AB68848 [0,2,0,0,0,0|0,0,0]=2 517 B12R1.106 CC(C)(Cc1ccc(cc1)N)N AB68843 [0,2,0,0,0,0|0,0,0]=2 518 B12R1.106 CC(C)(Cc1ccc(cc1)O)N AB07591 [0,2,0,0,0,0|0,0,0]=2 519 B12R1.106 CC(C)(Cc1ccc(nc1)Br)N AB77419 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.106 CC(C)(Cc1ccc(nc1)Cl)N AB77417 [0,2,0,0,0,0|1,0,0]=3 521 B12R1.106 CC(C)(Cc1cnc(nc1)Cl)N AB77450 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.106 Cc1ccc(cc1)CC(C)(C)N AB54574 [0,2,0,0,0,0|0,0,0]=2 523 B12R1.106 c1cc(ccc1CC(F)(F)F)Br AB60688 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.106 c1cc(ccc1CC(F)(F)F)I AB85130 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.106 c1cc(ccc1CC(F)(F)F)N AB21252 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.106 c1cc(ccc1CC(F)(F)F)O AB60686 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.233 CC(C)Oc1ccc(cc1Br)O MB23132 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.233 CC(C)Oc1ccc(cc1Cl)O MB13560 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.233 CC(C)Oc1ccc(cc1F)O MB23119 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.233 CC(C)Oc1ccc(cc1I)O MB23120 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.233 CC(C)Oc1ccc(cc1N)O MB23121 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.233 CC(C)Oc1ccc(cc1O)Br MB23150 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.233 CC(C)Oc1ccc(cc1O)Cl MB13550 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.233 CC(C)Oc1ccc(cc1O)F MB14580 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.233 CC(C)Oc1ccc(cc1O)I MB23040 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.233 CC(C)Oc1ccc(cc1O)N MB23049 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.233 Cc1cc(ccc1OC(C)C)O MB13553 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.233 Cc1ccc(c(c1)O)OC(C)C MB13554 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.34 COC(=O)[C@@H](c1ccccc1)Br AB70356 [0,2,0,0,0,0|1,0,1]=4 540 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Br AB15749 [0,2,0,0,0,0|1,0,1]=4 541 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Cl AB18155 [0,2,0,0,0,0|1,0,1]=4 542 B12R1.225 C[C@@H](c1cccc(c1)O)N(C)C MB03878 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.478 CN(C)C(C#N)c1ccccc1 MB00227 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.564 c1ccc(cc1)C(C(F)(F)F)N AB07860 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.564 c1ccc(cc1)[C@@H](C(F)(F)F)N AB27669 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.564 c1ccc(cc1)[C@H](C(F)(F)F)N AB27666 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.32 CN(CCN)Cc1ccccc1 MB02567 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.50 CC(CN)Oc1cccc(c1)Br AB38868 [0,2,0,0,0,0|1,0,0]=3 549 B12R1.50 CC(CN)Oc1cccc(c1)Cl AB38860 [0,2,0,0,0,0|1,0,0]=3 550 B12R1.50 CC(CN)Oc1cccc(c1)F AB23638 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.50 COC(=N)Cc1cccc(c1)Br AB60935 [0,2,0,0,0,0|0,0,2]=4 552 B12R1.50 COC(=N)Cc1cccc(c1)F AB60943 [0,2,0,0,0,0|0,0,2]=4 553 B12R1.50 COC(=O)Cc1cccc(c1)F CB10636 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.50 Cc1cccc(c1)CC(=N)OC AB60932 [0,2,0,0,0,0|0,0,2]=4 555 B12R1.50 Cc1cccc(c1)OC(C)CN AB23642 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.371 CC(CN)Oc1ccccc1Br AB38866 [0,2,0,0,0,0|1,0,0]=3 557 B12R1.371 CC(CN)Oc1ccccc1Cl AB16403 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.371 CC(CN)Oc1ccccc1F AB23635 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [0,2,0,0,0,0|0,0,2]=4 560 B12R1.371 COC(=O)Cc1ccccc1Br AB42488 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.371 COC(=O)Cc1ccccc1N AB21308 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.371 Cc1ccccc1OC(C)CN AB23640 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.75 CC(Cc1ccccc1OC)N MB01561 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.127 CC(C)Oc1cc(ccc1Br)O MB22969 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.127 CC(C)Oc1cc(ccc1Cl)O MB22972 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.127 CC(C)Oc1cc(ccc1F)O MB22948 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.127 CC(C)Oc1cc(ccc1I)O MB22951 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.127 CC(C)Oc1cc(ccc1N)F AB09449 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.127 CC(C)Oc1cc(ccc1N)O MB22955 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.127 CC(C)Oc1cc(ccc1O)Br MB22976 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.127 CC(C)Oc1cc(ccc1O)Cl MB22977 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.127 CC(C)Oc1cc(ccc1O)F MB22871 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.127 CC(C)Oc1cc(ccc1O)I MB22873 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.127 CC(C)Oc1cc(ccc1O)N MB22877 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.127 CN(C)Cc1cc(ccc1Br)O AB25672 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.127 Cc1ccc(c(c1)OC(C)C)O MB22829 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.127 Cc1ccc(cc1OC(C)C)O MB22921 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.151 CC(C)(C)Oc1ccccc1O MB22200 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.151 CC(C)(Cc1ccccc1Br)N AB64466 [0,2,0,0,0,0|0,0,0]=2 580 B12R1.151 CC(C)(Cc1ccccc1Cl)N AB07476 [0,2,0,0,0,0|0,0,0]=2 581 B12R1.151 CC(C)(Cc1ccccc1F)N AB54578 [0,2,0,0,0,0|0,0,0]=2 582 B12R1.151 CC(C)(Cc1ccccc1N)N AB68846 [0,2,0,0,0,0|0,0,0]=2 583 B12R1.151 c1ccc(c(c1)CC(F)(F)F)Br AB55785 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.151 c1ccc(c(c1)CC(F)(F)F)I AB56086 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.151 c1ccc(c(c1)CC(F)(F)F)N AB76414 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.224 CC(C)Oc1cccc(c1Br)O MB23236 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.224 CC(C)Oc1cccc(c1Cl)O MB23238 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.224 CC(C)Oc1cccc(c1F)O MB23211 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.224 CC(C)Oc1cccc(c1I)O MB23215 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.224 CC(C)Oc1cccc(c1N)O MB23219 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.224 CC(C)Oc1cccc(c1O)Br MB04729 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.224 CC(C)Oc1cccc(c1O)Cl MB23245 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.224 CC(C)Oc1cccc(c1O)F MB23178 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.224 CC(C)Oc1cccc(c1O)I MB23180 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.224 CC(C)Oc1cccc(c1O)N MB23185 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.224 Cc1c(cccc1OC(C)C)O MB09429 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.224 Cc1cccc(c1O)OC(C)C MB23167 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.1009 CC(C)Oc1c(cccc1Br)O MB12055 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.1009 CC(C)Oc1c(cccc1Cl)O MB22820 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.1009 CC(C)Oc1c(cccc1F)O MB22807 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.1009 CC(C)Oc1c(cccc1I)O MB22810 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.1009 CC(C)Oc1c(cccc1O)N MB22781 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.1009 Cc1cccc(c1OC(C)C)O MB22780 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.101 CC(C)Oc1cc(cc(c1)Br)O MB12058 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.101 CC(C)Oc1cc(cc(c1)Cl)O MB22919 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.101 CC(C)Oc1cc(cc(c1)F)O MB22905 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.101 CC(C)Oc1cc(cc(c1)I)O MB22908 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.101 CC(C)Oc1cc(cc(c1)O)N MB22874 [0,2,0,0,0,0|2,0,0]=4 609 B12R1.101 Cc1cc(cc(c1)OC(C)C)O MB22827 [0,2,0,0,0,0|2,0,0]=4 610 B12R1.101 c1c(cc(cc1Cl)Cl)CC(=N)N AB60876 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.119 CC(C)(C)Oc1cccc(c1)O MB22165 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.119 CC(C)(Cc1cccc(c1)Br)N AB64464 [0,2,0,0,0,0|0,0,0]=2 613 B12R1.119 CC(C)(Cc1cccc(c1)Cl)N AB54586 [0,2,0,0,0,0|0,0,0]=2 614 B12R1.119 CC(C)(Cc1cccc(c1)F)N AB64463 [0,2,0,0,0,0|0,0,0]=2 615 B12R1.119 CC(C)(Cc1cccc(c1)I)N AB68849 [0,2,0,0,0,0|0,0,0]=2 616 B12R1.119 CC(C)(Cc1cccc(c1)N)N AB68844 [0,2,0,0,0,0|0,0,0]=2 617 B12R1.119 CC(C)(Cc1cccc(c1)O)N AB68838 [0,2,0,0,0,0|0,0,0]=2 618 B12R1.119 CC(C)(Cc1cccc(n1)Br)N AB77430 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.119 CC(C)(Cc1cccc(n1)Cl)N AB77427 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.119 CC(C)(Cc1ccnc(c1)Br)N AB77423 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.119 CC(C)(Cc1ccnc(c1)Cl)N AB77422 [0,2,0,0,0,0|1,0,0]=3 622 B12R1.119 CC(C)(Cc1ccnc(n1)Cl)N AB77441 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.119 Cc1cccc(c1)CC(C)(C)N AB54571 [0,2,0,0,0,0|0,0,0]=2 624 B12R1.119 c1cc(cc(c1)Br)CC(F)(F)F AB60687 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.119 c1cc(cc(c1)I)CC(F)(F)F AB85133 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.119 c1cc(cc(c1)N)CC(F)(F)F AB76462 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.119 c1cc(cc(c1)O)CC(F)(F)F AB04490 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.438 CC(Cc1cccc(c1)OC)N MB01562 [0,2,0,0,0,0|0,0,0]=2 629 B12R1.438 COc1cccc(c1)CC(=N)N AB21306 [0,2,0,0,0,0|1,0,1]=4 630 B12R1.438 C[C@@H](Cc1cccc(c1)OC)N AB76439 [0,2,0,0,0,0|0,0,0]=2 631 B12R1.438 C[C@H](Cc1cccc(c1)OC)N AB76426 [0,2,0,0,0,0|0,0,0]=2 632 B10R2.6 c1cnc(nc1)C2CC2 PB25710 [1,0,0,1,0,0|2,0,0]=4 633 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [1,0,0,1,0,0|2,0,0]=4 634 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [1,0,0,1,0,0|2,0,0]=4 635 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|1,0,0]=3 636 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|1,0,0]=3 637 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|1,0,0]=3 638 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [1,0,0,1,0,0|2,0,0]=4 639 B10R2.7 c1cncc2c1CNC2 AB30511 [1,0,0,1,0,0|2,0,0]=4 640 B10R2.7 c1cncc2c1CNC2 PB24193 [1,0,0,1,0,0|2,0,0]=4 641 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [0,0,0,1,0,1|1,0,1]=4 642 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [0,0,0,1,0,1|1,0,1]=4 643 B12R2.22 c1ccc(cc1)C2CC(C2)N PB19234 [0,0,0,1,0,1|0,0,0]=2 644 B12R2.22 c1ccc(cc1)N2CC(C2)O PB37862 [0,0,0,1,0,1|1,0,0]=3 645 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N PB38990 [0,0,0,1,0,1|0,0,0]=2 646 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N PB38200 [0,0,0,1,0,1|0,0,0]=2 647 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,0,0,1,0,1|1,0,0]=3 648 B12R2.24 CC1COc2ccccc2N1 AB10564 [0,0,0,1,0,1|0,0,0]=2 649 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,0,0,1,0,1|1,0,0]=3 650 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,0,0,1,0,1|1,0,0]=3 651 B12R2.24 c1c2c(ncn1)CC(CC2)N AB61113 [0,0,0,1,0,1|2,0,0]=4 652 B12R2.24 c1c2c(ncn1)CCC(C2)N AB45337 [0,0,0,1,0,1|2,0,0]=4 653 B12R2.24 c1cc2c(nc1)CCC(C2)N AB61056 [0,0,0,1,0,1|1,0,0]=3 654 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,1,0,1|1,0,1]=4 655 B12R2.24 c1ccc2c(c1)CC(CO2)N AB18483 [0,0,0,1,0,1|0,0,0]=2 656 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,0,0,1,0,1|0,0,0]=2 657 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,0,0,1,0,1|0,0,0]=2 658 B12R2.24 c1ccc2c(c1)CCN(C2)N MB00779 [0,0,0,1,0,1|1,0,0]=3 659 B12R2.24 c1ccc2c(c1)C[C@@H](CO2)N AB56580 [0,0,0,1,0,1|0,0,0]=2 660 B12R2.24 c1ccc2c(c1)C[C@H](CO2)N AB56598 [0,0,0,1,0,1|0,0,0]=2 661 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,0,0,1,0,1|1,0,1]=4 662 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,0,0,1,0,1|1,0,1]=4 663 B12R2.2057 c1cc(cnc1)OCC2CC2 MB19960 [0,0,0,1,0,1|2,0,0]=4 664 B12R2.2403 CC1(CNc2c1cccc2)C PB13437 [0,0,0,1,0,1|1,0,0]=3 665 B12R2.2403 CC1(c2ccccc2CN1)C PB19698 [0,0,0,1,0,1|1,0,0]=3 666 B12R2.79 Cc1ccc(cc1)[C@@H]2C[C@H]2N MB69375 [0,1,0,1,0,0|0,0,0]=2 667 B12R2.79 c1cc(ccc1[C@@H]2C[C@H]2N)F MB69383 [0,1,0,1,0,0|0,0,0]=2 668 B12R2.294 Cc1ccc(cc1)OC2CC2 MB35889 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.294 c1cc(ccc1N)OC2CC2 MB11809 [0,1,0,1,0,0|2,0,0]=4 670 B12R2.294 c1cc(ccc1O)OC2CC2 MB20165 [0,1,0,1,0,0|2,0,0]=4 671 B12R2.294 c1cc(ccc1OC2CC2)Br MB06312 [0,1,0,1,0,0|2,0,0]=4 672 B12R2.294 c1cc(ccc1OC2CC2)Cl MB49590 [0,1,0,1,0,0|2,0,0]=4 673 B12R2.294 c1cc(ccc1OC2CC2)F MB37870 [0,1,0,1,0,0|2,0,0]=4 674 B12R2.294 c1cc(ccc1OC2CC2)I MB25540 [0,1,0,1,0,0|2,0,0]=4 675 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 AB42440 [0,1,0,1,0,0|1,0,1]=4 676 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 PB32208 [0,1,0,1,0,0|1,0,1]=4 677 B12R2.606 c1cc2c(cc1Br)CC(C2)N AB22071 [0,1,0,1,0,0|0,0,0]=2 678 B12R2.606 c1cc2c(cc1Br)CC(C2)N AB55794 [0,1,0,1,0,0|0,0,0]=2 679 B12R2.606 c1cc2c(cc1Br)CC(C2)O AB66019 [0,1,0,1,0,0|1,0,0]=3 680 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [0,1,0,1,0,0|1,0,1]=4 681 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 AB04636 [0,1,0,1,0,0|1,0,1]=4 682 B12R2.606 c1cc2c(cc1Cl)CC(C2)N AB69974 [0,1,0,1,0,0|0,0,0]=2 683 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [0,1,0,1,0,0|1,0,1]=4 684 B12R2.606 c1cc2c(cc1F)CC(=O)N2 AB11374 [0,1,0,1,0,0|1,0,1]=4 685 B12R2.606 c1cc2c(cc1F)CC(C2)N AB43712 [0,1,0,1,0,0|0,0,0]=2 686 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [0,1,0,1,0,0|1,0,1]=4 687 B12R2.606 c1cc2c(cc1I)CC(=O)N2 MB06441 [0,1,0,1,0,0|1,0,1]=4 688 B12R2.606 c1cc2c(cc1N)CC(=O)N2 PB27577 [0,1,0,1,0,0|1,0,1]=4 689 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [0,1,0,1,0,0|1,0,1]=4 691 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [0,1,0,1,0,0|2,0,0]=4 692 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 MB14910 [0,1,0,1,0,0|1,0,1]=4 693 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [0,1,0,1,0,0|1,0,0]=3 694 B12R2.235 c1ccc(cc1)[C@@]2(C[C@@H]2F)N MB69379 [0,1,0,1,0,0|1,0,0]=3 695 B12R2.235 c1ccc(cc1)[C@@]2(C[C@H]2N)F MB69387 [0,1,0,1,0,0|0,0,0]=2 696 B12R2.2075 c1ccc(cc1)C(C2CC2)N CB10839 [0,1,0,1,0,0|1,0,0]=3 697 B12R2.32 c1ccc2c(c1)CC(C2)CN AB18567 [0,1,0,1,0,0|0,0,0]=2 698 B12R2.32 c1ccc2c(c1)CC(C2)CO MB05939 [0,1,0,1,0,0|1,0,0]=3 699 B12R2.2058 c1cc(cnc1)OC2CNC2 MB07297 [0,1,0,1,0,0|2,0,0]=4 700 B12R2.2058 c1ccc(cc1)OC2CNC2 PB16142 [0,1,0,1,0,0|1,0,0]=3 701 B12R2.95 CC1(Cc2ccccc2N1)C AB70011 [0,1,0,1,0,0|0,0,0]=2 702 B12R2.202 CN1Cc2cccc(c2C1)N MB08489 [0,1,0,1,0,0|2,0,0]=4 703 B12R2.202 c1cc2c(c(c1)Br)CC(=O)C2 PB34393 [0,1,0,1,0,0|1,0,1]=4 704 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 PB23473 [0,1,0,1,0,0|1,0,1]=4 705 B12R2.202 c1cc2c(c(c1)Br)CC(C2)N AB69977 [0,1,0,1,0,0|0,0,0]=2 706 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 PB17281 [0,1,0,1,0,0|1,0,1]=4 707 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 AB15885 [0,1,0,1,0,0|1,0,1]=4 708 B12R2.202 c1cc2c(c(c1)Cl)CC(C2)N AB69973 [0,1,0,1,0,0|0,0,0]=2 709 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 AB25436 [0,1,0,1,0,0|1,0,1]=4 710 B12R2.202 c1cc2c(c(c1)F)CC(=O)N2 AB17595 [0,1,0,1,0,0|1,0,1]=4 711 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 AB11394 [0,1,0,1,0,0|1,0,1]=4 712 B12R2.202 c1cc2c(c(c1)O)CC(=O)N2 AB13551 [0,1,0,1,0,0|1,0,1]=4 713 B12R2.225 Cc1ccccc1OC2CC2 MB25701 [0,1,0,1,0,0|2,0,0]=4 714 B12R2.225 c1ccc(c(c1)N)OC2CC2 MB20137 [0,1,0,1,0,0|2,0,0]=4 715 B12R2.225 c1ccc(c(c1)O)OC2CC2 MB06816 [0,1,0,1,0,0|2,0,0]=4 716 B12R2.225 c1ccc(c(c1)OC2CC2)Br MB25567 [0,1,0,1,0,0|2,0,0]=4 717 B12R2.225 c1ccc(c(c1)OC2CC2)Cl MB36032 [0,1,0,1,0,0|2,0,0]=4 718 B12R2.225 c1ccc(c(c1)OC2CC2)F MB26509 [0,1,0,1,0,0|2,0,0]=4 719 B12R2.225 c1ccc(c(c1)OC2CC2)I MB32394 [0,1,0,1,0,0|2,0,0]=4 720 B12R2.1286 Cc1cccc(c1)OC2CC2 MB37981 [0,1,0,1,0,0|2,0,0]=4 721 B12R2.1286 c1cc(cc(c1)Br)OC2CC2 MB25628 [0,1,0,1,0,0|2,0,0]=4 722 B12R2.1286 c1cc(cc(c1)Cl)OC2CC2 MB35340 [0,1,0,1,0,0|2,0,0]=4 723 B12R2.1286 c1cc(cc(c1)F)OC2CC2 MB25673 [0,1,0,1,0,0|2,0,0]=4 724 B12R2.1286 c1cc(cc(c1)I)OC2CC2 MB38226 [0,1,0,1,0,0|2,0,0]=4 725 B12R2.1286 c1cc(cc(c1)OC2CC2)N MB11814 [0,1,0,1,0,0|2,0,0]=4 726 B12R2.1286 c1cc(cc(c1)OC2CC2)O MB20161 [0,1,0,1,0,0|2,0,0]=4 727 B12R2.1286 c1cc(cc(c1)S)OC2CC2 MB20192 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.8 CNCc1cccs1 AB13997 [1,0,0,0,1,0|2,0,0]=4 729 B8R1.8 c1c(con1)CCN AB28074 [1,0,0,0,1,0|2,0,0]=4 730 B8R1.8 c1c(ncs1)CCN AB45423 [1,0,0,0,1,0|2,0,0]=4 731 B8R1.8 c1cc(sc1)CCN PB12982 [1,0,0,0,1,0|1,0,0]=3 732 B8R1.8 c1cc(sc1)CCO PB32074 [1,0,0,0,1,0|2,0,0]=4 733 B8R1.8 c1cc(sc1)CNN PB12479 [1,0,0,0,1,0|2,0,0]=4 734 B8R1.8 c1ccn(c1)CCBr MB00850 [1,0,0,0,1,0|2,0,0]=4 735 B8R1.8 c1cn(cn1)CCN AB13191 [1,0,0,0,1,0|2,0,0]=4 736 B8R1.8 c1cnn(c1)CCN AB15836 [1,0,0,0,1,0|2,0,0]=4 737 B8R1.8 c1csc(n1)CCN AB28436 [1,0,0,0,1,0|2,0,0]=4 738 B8R1.8 c1csc(n1)CCN AB43209 [1,0,0,0,1,0|2,0,0]=4 739 B8R1.8 c1cscc1CCN PB24618 [1,0,0,0,1,0|1,0,0]=3 740 B8R1.8 c1cscc1CCO PB25903 [1,0,0,0,1,0|2,0,0]=4 741 B8R1.8 c1cscc1CNN PB25191 [1,0,0,0,1,0|2,0,0]=4 742 B8R1.7 CC(c1ccno1)N AB27932 [0,0,0,0,2,0|2,0,0]=4 743 B8R1.7 CC(c1ccoc1)N AB27902 [0,0,0,0,2,0|1,0,0]=3 744 B8R1.7 CC(c1ccoc1)N AB66830 [0,0,0,0,2,0|1,0,0]=3 745 B8R1.7 CC(c1cscn1)N AB27900 [0,0,0,0,2,0|2,0,0]=4 746 B8R1.7 CC(c1nccs1)N AB12719 [0,0,0,0,2,0|2,0,0]=4 747 B8R1.7 C[C@@H](c1nccs1)N AB66719 [0,0,0,0,2,0|2,0,0]=4 748 B8R1.7 C[C@H](c1nccs1)N AB68275 [0,0,0,0,2,0|2,0,0]=4 749 B12R1.252 c1ccc(cc1)NCCC(=O)N MB02383 [0,0,0,0,0,2|1,0,1]=4