0 B10R1.18 B(Cc1ccccc1)(O)O AB08328 [0,0,0,0,0,0|1,0,1]=2 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|3,0,0]=3 6 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 CC(Cc1ccncc1)N AB28531 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.18 c1c(cncn1)CC(=O)O PB12648 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.18 c1cc(nnc1)CC(=O)O PB14847 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 c1cnc(cn1)CC(=O)O PB10382 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.18 c1cnc(nc1)CC(=O)O PB34087 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.18 c1cncnc1CC(=O)O PB21983 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.18 c1cnncc1CC(=O)O PB31426 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.8 C#CCc1ccccn1 AB73234 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 C#CCc1cccnc1 AB61408 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 CNCc1ccncc1 AB02721 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 c1c(cncn1)CC=O AB57639 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 c1cc(cnc1)CNN PB16271 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 c1cc(cnc1)N=C=O AB08187 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 c1ccc(cc1)NC#N MB01061 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.8 c1ccnc(c1)CC#N AB00727 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 c1ccnc(c1)CNN PB19014 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 c1cnc(cn1)CC=O AB57650 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 c1cnc(nc1)CC=O AB57641 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 c1cnccc1CCN AB01702 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 c1cnccc1CNN PB10342 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 c1cnccc1N=C=O AB44989 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.8 c1cncnc1CC=O AB57648 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.20 CC(=O)Nc1ccc(cn1)I AB08522 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.20 CC(=O)Nc1ccc(cn1)N AB04216 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.20 CC(=O)Nc1ccc(nc1)Br AB30811 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.20 Cc1cnc(cn1)CC(=O)O AB69910 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.20 c1c(cnc(n1)CC(=O)O)Br PB16211 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.20 c1c(cnc(n1)CC(=O)O)Cl AB59161 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.20 c1c(cnc(n1)CC(=O)O)F AB68737 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.20 c1c(ncc(n1)Cl)CC(=O)O AB69911 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,1,0,0,0,0|0,0,0]=1 66 B11R1.20 c1cc(ccc1N=C(N)N)Cl AB04678 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.20 c1cc(ncc1Br)CC(=O)O PB31471 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.20 c1cc(ncc1CC(=O)O)Br AB71018 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.20 c1cc(ncc1CC(=O)O)Cl AB10318 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.20 c1cc(ncc1CC(=O)O)F AB55206 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.20 c1cc(ncc1F)CC(=O)O AB55200 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.20 c1cc(ncc1I)CC(=O)O PB21451 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.36 B(C(=C)c1ccccc1)(O)O AB08051 [0,1,0,0,0,0|1,0,2]=4 74 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB06681 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.36 c1cc(cnc1)C(C(=O)O)N AB12427 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.36 c1cc(cnc1)[C@@H](C(=O)O)N AB30490 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.36 c1cc(cnc1)[C@H](C(=O)O)N AB33298 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.36 c1ccc(cc1)C(C(F)F)N AB28541 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [0,1,0,0,0,0|0,0,0]=1 80 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.36 c1ccnc(c1)C(C(=O)O)N AB21618 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.36 c1ccnc(c1)[C@@H](C(=O)O)N AB30492 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.36 c1ccnc(c1)[C@H](C(=O)O)N AB33283 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.36 c1cnc(cn1)C(C(=O)O)N AB21620 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.36 c1cnccc1C(C(=O)O)N AB21617 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.36 c1cnccc1[C@@H](C(=O)O)N AB30487 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.36 c1cnccc1[C@H](C(=O)O)N AB33310 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.40 CC(Cc1ccccc1)CN CB11363 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.40 COC(=O)Cc1ccncn1 PB21336 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.40 COC(=O)Cc1ccnnc1 PB28638 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,1,0,0,0,0|0,0,1]=2 98 B11R1.40 c1ccc(cc1)CC(CF)N AB14681 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.40 c1ccc(cc1)CC(CN)N AB65391 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.40 c1ccc(cc1)C[C@@H](CN)N AB70797 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.40 c1ccc(cc1)C[C@H](CN)N AB14684 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.40 c1ccc(cc1)C[C@H](CO)N AB02579 [0,1,0,0,0,0|1,0,1]=3 103 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.86 CC(=O)Nc1cccnc1Br MB03384 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.86 CC(=O)Nc1cnccc1N MB08841 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.86 CC(Cc1ccccc1Br)N MB08211 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.86 CC(Cc1ccccc1Cl)N MB06204 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.86 CN(C)Cc1ccccc1Br AB01037 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.86 CN(C)Cc1ccccc1N AB01574 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.86 Cc1ccccc1CC(C)N MB01550 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.86 c1cc(c(nc1)CC(=O)O)Br PB17731 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.86 c1cc(c(nc1)CC(=O)O)F AB55219 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O PB10699 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.86 c1ccc(c(c1)CC(=N)N)Cl AB60879 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F AB16515 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [0,1,0,0,0,0|1,0,0]=2 117 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [0,1,0,0,0,0|0,0,0]=1 118 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl PB36328 [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|3,0,0]=4 121 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.157 CC(=O)Nc1cccc(n1)Br MB01012 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.157 CC(=O)Nc1ccnc(c1)Br MB14356 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.157 CC(Cc1cccc(c1)Br)N MB06206 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.157 CC(Cc1cccc(c1)Cl)N MB06208 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.157 CN(C)Cc1cccc(c1)Br AB20761 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.157 CN(C)Cc1cccc(c1)N AB01577 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.157 C[C@@H](Cc1cccc(c1)Br)N AB76444 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.157 C[C@@H](Cc1cccc(c1)F)N AB76436 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.157 C[C@H](Cc1cccc(c1)Br)N AB76430 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.157 Cc1cc(ccn1)NC(=O)C AB53272 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.157 Cc1cccc(c1)CC(=N)N AB49995 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.157 Cc1cccc(c1)CC(C)N MB05181 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.157 Cc1ccnc(c1)NC(=O)C AB05238 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.157 Cc1ccnc(n1)CC(=O)O AB59182 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.157 c1c(cncc1Br)CC(=O)O AB07359 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.157 c1c(cncc1F)CC(=O)O PB22356 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.157 c1cc(cc(c1)Br)CC(=N)N AB60873 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [0,1,0,0,0,0|0,0,0]=1 142 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [0,1,0,0,0,0|0,0,0]=1 143 B11R1.157 c1cc(cc(c1)Cl)NC(=N)N AB43838 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.157 c1cc(cc(c1)F)CC(=N)N AB49997 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [0,1,0,0,0,0|0,0,0]=1 146 B11R1.157 c1cc(nc(c1)Br)CC(=O)O CB11432 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.157 c1cc(nc(c1)F)CC(=O)O AB55215 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.157 c1cnc(cc1CC(=O)O)Br AB31444 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.157 c1cnc(cc1CC(=O)O)Cl AB31448 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.157 c1cnc(cc1CC(=O)O)N AB31440 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.157 c1cnc(nc1Br)CC(=O)O AB59073 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.509 CC(C)(Cc1ccccc1)N AB02355 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.509 [B-](Cc1ccccc1)(F)(F)F AB15065 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.509 c1cc(cnc1)CS(=O)(=O)Cl AB21751 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.509 c1ccnc(c1)CS(=O)(=O)Cl AB21747 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.509 c1cnccc1CS(=O)(=O)Cl AB21753 [0,1,0,0,0,0|2,0,1]=4 157 B11R2.4 c1ccc(cc1)C2CC2N AB00325 [0,0,0,1,0,0|2,0,1]=4 158 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [0,0,0,1,0,0|3,0,0]=4 159 B11R2.10 c1c2c(ncn1)NC(=O)C2 PB13160 [0,0,0,1,0,0|3,0,0]=4 160 B11R2.10 c1cc2=NC(=O)N=c2nc1 AB06227 [0,0,0,1,0,0|3,0,0]=4 161 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [0,0,0,1,0,0|2,0,0]=3 162 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [0,0,0,1,0,0|2,0,0]=3 163 B11R2.10 c1cc2c(nc1)nc(o2)Cl AB63474 [0,0,0,1,0,0|3,0,0]=4 164 B11R2.10 c1cc2c(nc1)nc(o2)N AB63475 [0,0,0,1,0,0|3,0,0]=4 165 B11R2.10 c1cc2c(nc1)oc(n2)S AB65959 [0,0,0,1,0,0|2,1,0]=4 166 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [0,0,0,1,0,0|1,0,0]=2 167 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [0,0,0,1,0,0|2,0,1]=4 168 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [0,0,0,1,0,0|2,0,1]=4 169 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [0,0,0,1,0,0|3,0,0]=4 170 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [0,0,0,1,0,0|1,0,1]=3 171 B11R2.10 c1ccc2c(c1)nc(o2)Cl AB00524 [0,0,0,1,0,0|2,0,0]=3 172 B11R2.10 c1ccc2c(c1)nc(s2)Cl AB00527 [0,0,0,1,0,0|2,1,0]=4 173 B11R2.10 c1cncc2=NC(=O)N=c21 AB11607 [0,0,0,1,0,0|3,0,0]=4 174 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [0,0,0,1,0,0|2,0,0]=3 175 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [0,0,0,1,0,0|2,0,0]=3 176 B11R2.10 c1cncc2c1nc(o2)S AB65956 [0,0,0,1,0,0|2,1,0]=4 177 B11R2.10 c1cncc2c1oc(n2)S AB65952 [0,0,0,1,0,0|2,1,0]=4 178 B9R1.6 B(c1cccnc1)(O)O AB17635 [0,0,0,0,1,0|2,0,1]=4 179 B9R1.6 B(c1cccnc1)(O)O PB14187 [0,0,0,0,1,0|2,0,1]=4 180 B9R1.6 B(c1ccncc1)(O)O AB23111 [0,0,0,0,1,0|2,0,1]=4 181 B9R1.6 B(c1ccncc1)(O)O PB29133 [0,0,0,0,1,0|2,0,1]=4 182 B9R1.6 C=C(c1ccccn1)Br AB31950 [0,0,0,0,1,0|3,0,0]=4 183 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,0,0,0,1,0|2,0,0]=3 184 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,0,0,0,1,0|2,0,0]=3 185 B9R1.6 CC(=O)c1cccnn1 PB16551 [0,0,0,0,1,0|3,0,0]=4 186 B9R1.6 CC(=O)c1ccncc1 AB00760 [0,0,0,0,1,0|2,0,0]=3 187 B9R1.6 CC(=O)c1ccncn1 PB17606 [0,0,0,0,1,0|3,0,0]=4 188 B9R1.6 CC(=O)c1ccnnc1 PB26895 [0,0,0,0,1,0|3,0,0]=4 189 B9R1.6 CC(=O)c1cnccn1 AB00602 [0,0,0,0,1,0|3,0,0]=4 190 B9R1.6 CC(=O)c1cncnc1 PB20327 [0,0,0,0,1,0|3,0,0]=4 191 B9R1.6 CC(=O)c1ncccn1 PB34295 [0,0,0,0,1,0|3,0,0]=4 192 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,0,0,0,1,0|2,0,1]=4 193 B9R1.6 c1c(cncn1)C(=O)O PB23195 [0,0,0,0,1,0|2,0,0]=3 194 B9R1.6 c1c(ncnn1)C(=O)O AB72448 [0,0,0,0,1,0|3,0,0]=4 195 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [0,0,0,0,1,0|2,0,0]=3 196 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [0,0,0,0,1,0|2,0,0]=3 197 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [0,0,0,0,1,0|3,0,0]=4 198 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,0,0,0,1,0|1,0,0]=2 199 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [0,0,0,0,1,0|2,1,0]=4 200 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [0,0,0,0,1,0|2,0,0]=3 201 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [0,0,0,0,1,0|2,0,0]=3 202 B9R1.6 c1cnccc1C(=N)N MB02852 [0,0,0,0,1,0|3,0,0]=4 203 B9R1.6 c1cnccc1C(=O)O AB00757 [0,0,0,0,1,0|1,0,0]=2 204 B9R1.6 c1cnccc1C(=S)N AB00764 [0,0,0,0,1,0|2,1,0]=4 205 B9R1.6 c1cncnc1C(=O)O PB29023 [0,0,0,0,1,0|2,0,0]=3 206 B9R1.6 c1cnnc(n1)C(=O)O AB48886 [0,0,0,0,1,0|3,0,0]=4 207 B9R1.6 c1cnncc1C(=O)O PB17054 [0,0,0,0,1,0|2,0,0]=3 208 B9R1.6 c1ncnc(n1)C(=O)O AB60791 [0,0,0,0,1,0|3,0,0]=4 209 B9R1.13 B(Cc1ccco1)(O)O AB10323 [0,0,0,0,1,0|2,0,1]=4 210 B9R1.13 CC(=O)Nc1ccsc1 AB04169 [0,0,0,0,1,0|3,0,0]=4 211 B9R1.13 c1cc(sc1)CC(=O)O PB27359 [0,0,0,0,1,0|1,0,0]=2 212 B9R1.13 c1cn(cn1)CC(=O)O AB09874 [0,0,0,0,1,0|2,0,0]=3 213 B9R1.13 c1cn(nn1)CC(=O)O AB16649 [0,0,0,0,1,0|3,0,0]=4 214 B9R1.13 c1cnn(n1)CC(=O)O AB16652 [0,0,0,0,1,0|3,0,0]=4 215 B9R1.13 c1csc(n1)CC(=O)O PB23269 [0,0,0,0,1,0|2,0,0]=3 216 B9R1.13 c1cscc1CC(=O)O PB28939 [0,0,0,0,1,0|1,0,0]=2 217 B11R1.91 B(CCc1ccccc1)(O)O AB09361 [0,0,0,0,0,1|1,0,1]=3 218 B11R1.91 B(\C=C\c1ccccc1)(O)O AB07818 [0,0,0,0,0,1|1,0,2]=4 219 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,0,0,0,0,1|2,0,0]=3 220 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,0,0,0,0,1|1,0,1]=3 221 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,0,0,0,0,1|2,0,0]=3 222 B11R1.91 c1cnc(nc1)NCC(=O)O AB12962 [0,0,0,0,0,1|2,0,0]=3 223 B8R1.2 c1c(cncn1)C=O PB32342 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.2 c1c(cncn1)CO PB18631 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.2 c1cc(cnc1)C=O AB00744 [2,0,0,0,0,0|1,0,0]=3 226 B8R1.2 c1cc(cnc1)CCl AB01984 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.2 c1cc(cnc1)CN AB00752 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.2 c1cc(nnc1)C=O PB20119 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.2 c1cc(nnc1)CO PB30818 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.2 c1ccnc(c1)C=O AB00680 [2,0,0,0,0,0|1,0,0]=3 231 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.2 c1cnc(cn1)C=O PB19982 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.2 c1cnc(cn1)CO PB21779 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.2 c1cnc(nc1)C=O PB34235 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.2 c1cnc(nc1)CO PB12410 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.2 c1cnccc1C=O AB00754 [2,0,0,0,0,0|1,0,0]=3 239 B8R1.2 c1cnccc1CCl AB15539 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.2 c1cnccc1CN AB00767 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.2 c1cncnc1C=O AB16150 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.2 c1cncnc1CO PB12296 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 c1cnncc1C=O PB17346 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.2 c1cnncc1CO PB26178 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.1 C#CCc1ccc(cc1)Br AB61388 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.1 C#CCc1ccc(cc1)Cl AB61380 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.1 C#CCc1ccc(cc1)F AB61384 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.1 C#CCc1ccc(cc1)I AB73225 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [1,1,0,0,0,0|0,0,0]=2 250 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.1 c1c(cnc(n1)CC=O)Cl AB59163 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.1 c1cc(ccc1CC#N)F AB00175 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [1,1,0,0,0,0|0,0,0]=2 254 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [1,1,0,0,0,0|0,0,0]=2 255 B10R1.1 c1cc(ccc1CC=O)F AB11805 [1,1,0,0,0,0|0,0,0]=2 256 B10R1.1 c1cc(ccc1CC=O)N AB27688 [1,1,0,0,0,0|0,0,0]=2 257 B10R1.1 c1cc(ccc1CCBr)N MB02970 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.1 c1cc(ccc1CCN)Br AB00934 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.1 c1cc(ccc1CCN)F AB03730 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.1 c1cc(ccc1CCN)N AB00936 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.1 c1cc(ccc1CCO)Br AB00280 [1,1,0,0,0,0|0,0,1]=3 263 B10R1.1 c1cc(ccc1CNN)Br PB32548 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.1 c1cc(ccc1CNN)F PB20964 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.1 c1cc(ncc1Br)CCO PB14792 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|0,0,0]=2 272 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.4 c1ccc(c(c1)CC#N)Br AB00169 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.4 c1ccc(c(c1)CC#N)F AB00172 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|1,0,1]=4 277 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.4 c1ccc(c(c1)\C=N\O)Cl AB01188 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.10 C#CCc1cccc(c1)Br AB61399 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.10 C#CCc1cccc(c1)Cl AB61396 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.10 C#CCc1cccc(c1)I AB73228 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.10 Cc1cccc(c1)CC=O AB11815 [1,1,0,0,0,0|0,0,0]=2 285 B10R1.10 c1cc(cc(c1)Br)CC#N AB00173 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [1,1,0,0,0,0|0,0,0]=2 287 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.10 c1cc(cc(c1)Br)\C=C\Br AB73510 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.10 c1cc(cc(c1)Br)\C=N\O AB03839 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [1,1,0,0,0,0|0,0,0]=2 292 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [1,1,0,0,0,0|0,0,0]=2 295 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.10 c1cc(cc(c1)N)CC#N AB13852 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.10 c1cc(cc(c1)O)CC#N AB13855 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [1,1,0,0,0,0|0,0,1]=3 306 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [1,1,0,0,0,0|0,0,1]=3 307 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.15 c1cnccc1C(=O)C=O AB62328 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.17 c1c(cncn1)CCC=O AB57646 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.17 c1cc(cnc1)CCC=O AB57626 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.17 c1ccc(cc1)CCC=O AB00823 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.17 c1ccnc(c1)CCC=O AB57635 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.17 c1ccnc(c1)CCCO PB12987 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.17 c1cnc(cn1)CCC=O AB57652 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.17 c1cnc(nc1)CCC=O AB57644 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.17 c1cnccc1CCC=O AB49299 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.17 c1cncnc1CCC=O AB57649 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.13 B(c1ccc(cc1)Br)(O)O AB00202 [0,1,0,0,1,0|1,0,1]=4 320 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [0,1,0,0,1,0|1,0,1]=4 321 B10R1.13 B(c1ccc(cc1)Cl)(O)O AB01763 [0,1,0,0,1,0|1,0,1]=4 322 B10R1.13 B(c1ccc(cc1)F)(O)O AB01761 [0,1,0,0,1,0|1,0,1]=4 323 B10R1.13 B(c1ccc(cc1)I)(O)O AB08832 [0,1,0,0,1,0|1,0,1]=4 324 B10R1.13 B(c1ccc(cc1)N)(O)O AB08102 [0,1,0,0,1,0|1,0,1]=4 325 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [0,1,0,0,1,0|1,0,1]=4 326 B10R1.13 B(c1ccc(cc1)S)(O)O AB13276 [0,1,0,0,1,0|1,0,1]=4 327 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [0,1,0,0,1,0|2,0,0]=4 328 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,1,0,0,1,0|2,0,0]=4 329 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,1,0,0,1,0|2,0,0]=4 330 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,1,0,0,1,0|2,0,0]=4 331 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,1,0,0,1,0|2,0,0]=4 332 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,1,0,0,1,0|2,0,0]=4 333 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,1,0,0,1,0|2,0,0]=4 334 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,1,0,0,1,0|2,0,0]=4 335 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,1,0,0,1,0|2,0,0]=4 336 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,1,0,0,1,0|2,0,0]=4 337 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,1,0,0,1,0|2,0,0]=4 338 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [0,1,0,0,1,0|2,0,0]=4 339 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [0,1,0,0,1,0|1,1,0]=4 340 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,1,0,0,1,0|2,0,0]=4 341 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [0,1,0,0,1,0|2,0,0]=4 342 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,1,0,0,1,0|1,0,0]=3 343 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,1,0,0,1,0|2,0,0]=4 344 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,1,0,0,1,0|1,0,0]=3 345 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [0,1,0,0,1,0|2,0,0]=4 346 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [0,1,0,0,1,0|2,0,0]=4 347 B10R1.13 Cc1cnc(nc1)C(=O)O PB29748 [0,1,0,0,1,0|2,0,0]=4 348 B10R1.13 Cc1ncc(cn1)C(=O)O PB27884 [0,1,0,0,1,0|2,0,0]=4 349 B10R1.13 c1c(cnc(n1)C(=O)O)Br PB33902 [0,1,0,0,1,0|2,0,0]=4 350 B10R1.13 c1c(cnc(n1)C(=O)O)Cl PB13081 [0,1,0,0,1,0|2,0,0]=4 351 B10R1.13 c1c(cnc(n1)C(=O)O)F PB31127 [0,1,0,0,1,0|2,0,0]=4 352 B10R1.13 c1c(cnc(n1)C(=O)O)N PB34128 [0,1,0,0,1,0|2,0,0]=4 353 B10R1.13 c1c(cnc(n1)Cl)C(=O)O PB24941 [0,1,0,0,1,0|2,0,0]=4 354 B10R1.13 c1c(cnc(n1)N)C(=O)O AB22915 [0,1,0,0,1,0|2,0,0]=4 355 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [0,1,0,0,1,0|2,0,0]=4 356 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [0,1,0,0,1,0|2,0,0]=4 357 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [0,1,0,0,1,0|2,0,0]=4 358 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [0,1,0,0,1,0|2,0,0]=4 359 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [0,1,0,0,1,0|2,0,0]=4 360 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [0,1,0,0,1,0|2,0,0]=4 361 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [0,1,0,0,1,0|2,0,0]=4 362 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [0,1,0,0,1,0|2,0,0]=4 363 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [0,1,0,0,1,0|2,0,0]=4 364 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [0,1,0,0,1,0|2,0,0]=4 365 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [0,1,0,0,1,0|2,0,0]=4 366 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [0,1,0,0,1,0|1,1,0]=4 367 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [0,1,0,0,1,0|1,1,0]=4 368 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [0,1,0,0,1,0|1,1,0]=4 369 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [0,1,0,0,1,0|1,1,0]=4 370 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [0,1,0,0,1,0|1,1,0]=4 371 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [0,1,0,0,1,0|1,0,0]=3 372 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [0,1,0,0,1,0|1,0,1]=4 373 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [0,1,0,0,1,0|2,0,0]=4 374 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [0,1,0,0,1,0|2,0,0]=4 375 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [0,1,0,0,1,0|1,0,0]=3 376 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [0,1,0,0,1,0|1,0,0]=3 377 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [0,1,0,0,1,0|1,0,0]=3 378 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [0,1,0,0,1,0|1,0,0]=3 379 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [0,1,0,0,1,0|1,0,0]=3 380 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [0,1,0,0,1,0|1,0,0]=3 381 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [0,1,0,0,1,0|1,0,0]=3 382 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [0,1,0,0,1,0|1,0,0]=3 383 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [0,1,0,0,1,0|1,0,0]=3 384 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [0,1,0,0,1,0|2,0,0]=4 385 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [0,1,0,0,1,0|1,0,0]=3 386 B10R1.13 c1cc(nnc1C(=O)O)Cl PB27458 [0,1,0,0,1,0|2,0,0]=4 387 B10R1.13 c1cc(nnc1C(=O)O)N PB30836 [0,1,0,0,1,0|2,0,0]=4 388 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [0,1,0,0,1,0|2,0,0]=4 389 B10R1.61 B(c1ccccc1Br)(O)O AB08325 [0,1,0,0,1,0|1,0,1]=4 390 B10R1.61 B(c1ccccc1C)(O)O AB03348 [0,1,0,0,1,0|1,0,1]=4 391 B10R1.61 B(c1ccccc1Cl)(O)O AB06914 [0,1,0,0,1,0|1,0,1]=4 392 B10R1.61 B(c1ccccc1F)(O)O AB06918 [0,1,0,0,1,0|1,0,1]=4 393 B10R1.61 B(c1ccccc1N)(O)O AB08088 [0,1,0,0,1,0|1,0,1]=4 394 B10R1.61 B(c1ccccc1O)(O)O AB08053 [0,1,0,0,1,0|1,0,1]=4 395 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,1,0,0,1,0|2,0,0]=4 396 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,1,0,0,1,0|2,0,0]=4 397 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,1,0,0,1,0|2,0,0]=4 398 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,1,0,0,1,0|2,0,0]=4 399 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,1,0,0,1,0|2,0,0]=4 400 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,1,0,0,1,0|2,0,0]=4 401 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,1,0,0,1,0|2,0,0]=4 402 B10R1.61 CC(=O)c1ccncc1Br PB12099 [0,1,0,0,1,0|2,0,0]=4 403 B10R1.61 CC(=O)c1ccncc1F PB22036 [0,1,0,0,1,0|2,0,0]=4 404 B10R1.61 CC(=O)c1ccncc1N AB41121 [0,1,0,0,1,0|2,0,0]=4 405 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,1,0,0,1,0|2,0,0]=4 406 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,1,0,0,1,0|2,0,0]=4 407 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,1,0,0,1,0|2,0,0]=4 408 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,1,0,0,1,0|2,0,0]=4 409 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [0,1,0,0,1,0|1,0,0]=3 410 B10R1.61 Cc1c(ccnn1)C(=O)O PB22593 [0,1,0,0,1,0|2,0,0]=4 411 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [0,1,0,0,1,0|2,0,0]=4 412 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,1,0,0,1,0|2,0,0]=4 413 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,1,0,0,1,0|1,1,0]=4 414 B10R1.61 Cc1cccnc1C(=O)O PB10121 [0,1,0,0,1,0|1,0,0]=3 415 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,1,0,0,1,0|2,0,0]=4 416 B10R1.61 Cc1ccncc1C(=O)O PB17119 [0,1,0,0,1,0|1,0,0]=3 417 B10R1.61 Cc1ccnnc1C(=O)O PB17664 [0,1,0,0,1,0|2,0,0]=4 418 B10R1.61 Cc1cnccc1C(=O)O PB12103 [0,1,0,0,1,0|1,0,0]=3 419 B10R1.61 Cc1cnncc1C(=O)O PB17923 [0,1,0,0,1,0|2,0,0]=4 420 B10R1.61 c1c(c(ncn1)C(=O)O)Br PB12688 [0,1,0,0,1,0|2,0,0]=4 421 B10R1.61 c1c(c(ncn1)Cl)C(=O)O AB51529 [0,1,0,0,1,0|2,0,0]=4 422 B10R1.61 c1c(c(ncn1)N)C(=O)O AB02045 [0,1,0,0,1,0|2,0,0]=4 423 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [0,1,0,0,1,0|1,0,0]=3 424 B10R1.61 c1cc(c(nc1)C(=O)N)N PB24920 [0,1,0,0,1,0|2,0,0]=4 425 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [0,1,0,0,1,0|1,0,0]=3 426 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [0,1,0,0,1,0|1,0,0]=3 427 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [0,1,0,0,1,0|1,0,0]=3 428 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [0,1,0,0,1,0|1,0,0]=3 429 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [0,1,0,0,1,0|1,0,0]=3 430 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [0,1,0,0,1,0|1,0,0]=3 431 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [0,1,0,0,1,0|1,0,0]=3 432 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,1,0,0,1,0|1,0,0]=3 433 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [0,1,0,0,1,0|2,0,0]=4 434 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [0,1,0,0,1,0|2,0,0]=4 435 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [0,1,0,0,1,0|2,0,0]=4 436 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,1,0,0,1,0|2,0,0]=4 437 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,1,0,0,1,0|0,0,0]=2 438 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [0,1,0,0,1,0|1,1,0]=4 439 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [0,1,0,0,1,0|1,1,0]=4 440 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [0,1,0,0,1,0|1,1,0]=4 441 B10R1.61 c1cnc(c(n1)C(=O)O)Cl PB23222 [0,1,0,0,1,0|2,0,0]=4 442 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [0,1,0,0,1,0|2,0,0]=4 443 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [0,1,0,0,1,0|2,0,0]=4 444 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [0,1,0,0,1,0|1,0,0]=3 445 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [0,1,0,0,1,0|2,0,0]=4 446 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [0,1,0,0,1,0|1,0,0]=3 447 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [0,1,0,0,1,0|1,0,0]=3 448 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [0,1,0,0,1,0|1,0,0]=3 449 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [0,1,0,0,1,0|1,0,0]=3 450 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [0,1,0,0,1,0|1,0,0]=3 451 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [0,1,0,0,1,0|1,0,0]=3 452 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [0,1,0,0,1,0|1,0,0]=3 453 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [0,1,0,0,1,0|1,0,0]=3 454 B10R1.61 c1cncc(c1N)C(=O)N PB21456 [0,1,0,0,1,0|2,0,0]=4 455 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [0,1,0,0,1,0|1,0,0]=3 456 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [0,1,0,0,1,0|2,0,0]=4 457 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [0,1,0,0,1,0|1,0,0]=3 458 B10R1.61 c1cnnc(c1C(=O)O)O AB76276 [0,1,0,0,1,0|2,0,0]=4 459 B10R1.113 B(c1cccc(c1)Br)(O)O AB05452 [0,1,0,0,1,0|1,0,1]=4 460 B10R1.113 B(c1cccc(c1)C)(O)O AB01795 [0,1,0,0,1,0|1,0,1]=4 461 B10R1.113 B(c1cccc(c1)Cl)(O)O AB04228 [0,1,0,0,1,0|1,0,1]=4 462 B10R1.113 B(c1cccc(c1)F)(O)O AB05340 [0,1,0,0,1,0|1,0,1]=4 463 B10R1.113 B(c1cccc(c1)I)(O)O AB08836 [0,1,0,0,1,0|1,0,1]=4 464 B10R1.113 B(c1cccc(c1)N)(O)O AB00895 [0,1,0,0,1,0|1,0,1]=4 465 B10R1.113 B(c1cccc(c1)N)(O)O AB01122 [0,1,0,0,1,0|1,0,1]=4 466 B10R1.113 B(c1cccc(c1)O)(O)O AB08061 [0,1,0,0,1,0|1,0,1]=4 467 B10R1.113 B(c1cccc(c1)S)(O)O AB13509 [0,1,0,0,1,0|1,0,1]=4 468 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [0,1,0,0,1,0|2,0,0]=4 469 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [0,1,0,0,1,0|2,0,0]=4 470 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [0,1,0,0,1,0|2,0,0]=4 471 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [0,1,0,0,1,0|2,0,0]=4 472 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [0,1,0,0,1,0|2,0,0]=4 473 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [0,1,0,0,1,0|2,0,0]=4 474 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [0,1,0,0,1,0|2,0,0]=4 475 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [0,1,0,0,1,0|2,0,0]=4 476 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [0,1,0,0,1,0|2,0,0]=4 477 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [0,1,0,0,1,0|2,0,0]=4 478 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [0,1,0,0,1,0|2,0,0]=4 479 B10R1.113 CC(=O)c1ccnc(c1)Br AB31302 [0,1,0,0,1,0|2,0,0]=4 480 B10R1.113 CC(=O)c1ccnc(c1)Cl PB18811 [0,1,0,0,1,0|2,0,0]=4 481 B10R1.113 CC(=O)c1ccnc(c1)F AB50237 [0,1,0,0,1,0|2,0,0]=4 482 B10R1.113 CC(=O)c1ccnc(c1)N AB67454 [0,1,0,0,1,0|2,0,0]=4 483 B10R1.113 Cc1cc(ccn1)C(=O)C AB41122 [0,1,0,0,1,0|2,0,0]=4 484 B10R1.113 Cc1cc(ccn1)C(=O)Cl AB60195 [0,1,0,0,1,0|2,0,0]=4 485 B10R1.113 Cc1cc(ccn1)C(=O)O AB06393 [0,1,0,0,1,0|1,0,0]=3 486 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [0,1,0,0,1,0|1,0,0]=3 487 B10R1.113 Cc1cc(ncn1)C(=O)O PB20450 [0,1,0,0,1,0|2,0,0]=4 488 B10R1.113 Cc1cccc(c1)C(=N)N AB11452 [0,1,0,0,1,0|2,0,0]=4 489 B10R1.113 Cc1cccc(c1)C(=S)N AB08506 [0,1,0,0,1,0|1,1,0]=4 490 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [0,1,0,0,1,0|2,0,0]=4 491 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [0,1,0,0,1,0|1,0,0]=3 492 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [0,1,0,0,1,0|2,0,0]=4 493 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [0,1,0,0,1,0|1,0,0]=3 494 B10R1.113 Cc1ccnc(n1)C(=O)O PB31505 [0,1,0,0,1,0|2,0,0]=4 495 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [0,1,0,0,1,0|2,0,0]=4 496 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [0,1,0,0,1,0|1,0,0]=3 497 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [0,1,0,0,1,0|1,0,0]=3 498 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [0,1,0,0,1,0|1,0,0]=3 499 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [0,1,0,0,1,0|2,0,0]=4 500 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [0,1,0,0,1,0|1,0,0]=3 501 B10R1.113 c1c(cnnc1Cl)C(=O)O PB30096 [0,1,0,0,1,0|2,0,0]=4 502 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [0,1,0,0,1,0|2,0,0]=4 503 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [0,1,0,0,1,0|2,0,0]=4 504 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [0,1,0,0,1,0|2,0,0]=4 505 B10R1.113 c1c(ncnc1Cl)C(=O)O AB48398 [0,1,0,0,1,0|2,0,0]=4 506 B10R1.113 c1cc(cc(c1)Br)C(=N)N AB18330 [0,1,0,0,1,0|2,0,0]=4 507 B10R1.113 c1cc(cc(c1)Br)C(=O)N MB00265 [0,1,0,0,1,0|1,0,0]=3 508 B10R1.113 c1cc(cc(c1)Br)C(=S)N AB21268 [0,1,0,0,1,0|1,1,0]=4 509 B10R1.113 c1cc(cc(c1)Cl)C(=S)N AB05898 [0,1,0,0,1,0|1,1,0]=4 510 B10R1.113 c1cc(cc(c1)F)C(=N)N AB18313 [0,1,0,0,1,0|2,0,0]=4 511 B10R1.113 c1cc(cc(c1)F)C(=S)N AB21276 [0,1,0,0,1,0|1,1,0]=4 512 B10R1.113 c1cc(cc(c1)N)C(=N)N AB01115 [0,1,0,0,1,0|2,0,0]=4 513 B10R1.113 c1cc(cc(c1)N)C(=S)N AB21283 [0,1,0,0,1,0|1,1,0]=4 514 B10R1.113 c1cc(cc(c1)O)C(=N)N AB55570 [0,1,0,0,1,0|2,0,0]=4 515 B10R1.113 c1cc(cc(c1)O)C(=O)N MB00281 [0,1,0,0,1,0|1,0,0]=3 516 B10R1.113 c1cc(nc(c1)Br)C(=O)N MB00999 [0,1,0,0,1,0|2,0,0]=4 517 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [0,1,0,0,1,0|1,0,0]=3 518 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [0,1,0,0,1,0|1,0,0]=3 519 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [0,1,0,0,1,0|1,0,0]=3 520 B10R1.113 c1cc(nc(c1)I)C(=O)N AB42518 [0,1,0,0,1,0|2,0,0]=4 521 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [0,1,0,0,1,0|1,0,0]=3 522 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [0,1,0,0,1,0|1,0,0]=3 523 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [0,1,0,0,1,0|1,0,0]=3 524 B10R1.113 c1cnc(cc1C(=O)N)Br AB05162 [0,1,0,0,1,0|2,0,0]=4 525 B10R1.113 c1cnc(cc1C(=O)N)Cl AB04952 [0,1,0,0,1,0|2,0,0]=4 526 B10R1.113 c1cnc(cc1C(=O)N)N AB16207 [0,1,0,0,1,0|2,0,0]=4 527 B10R1.113 c1cnc(cc1C(=O)O)Br AB09563 [0,1,0,0,1,0|1,0,0]=3 528 B10R1.113 c1cnc(cc1C(=O)O)Cl PB12125 [0,1,0,0,1,0|1,0,0]=3 529 B10R1.113 c1cnc(cc1C(=O)O)F AB11490 [0,1,0,0,1,0|1,0,0]=3 530 B10R1.113 c1cnc(cc1C(=O)O)I AB29977 [0,1,0,0,1,0|1,0,0]=3 531 B10R1.113 c1cnc(cc1C(=O)O)N PB19872 [0,1,0,0,1,0|1,0,0]=3 532 B10R1.113 c1cnc(cc1C(=O)O)O PB29144 [0,1,0,0,1,0|1,0,0]=3 533 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [0,1,0,0,1,0|2,0,0]=4 534 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [0,1,0,0,1,0|1,0,0]=3 535 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [0,1,0,0,1,0|1,0,0]=3 536 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [0,1,0,0,1,0|1,0,0]=3 537 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [0,1,0,0,1,0|1,0,0]=3 538 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [0,1,0,0,1,0|2,0,0]=4 539 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [0,1,0,0,1,0|1,0,0]=3 540 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [0,1,0,0,1,0|2,0,0]=4 541 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [0,1,0,0,1,0|1,0,0]=3 542 B10R1.113 c1cnc(nc1C(=O)O)Cl AB28457 [0,1,0,0,1,0|2,0,0]=4 543 B10R1.113 c1cnc(nc1C(=O)O)N AB42844 [0,1,0,0,1,0|2,0,0]=4 544 B10R1.113 c1cnc(nc1Cl)C(=O)O AB55866 [0,1,0,0,1,0|2,0,0]=4 545 B10R1.23 c1cc(oc1)C(C(=O)O)N AB01510 [0,1,0,0,1,0|1,0,0]=3 546 B10R1.23 c1cc(oc1)[C@@H](C(=O)O)N AB14778 [0,1,0,0,1,0|1,0,0]=3 547 B10R1.23 c1cc(oc1)[C@H](C(=O)O)N AB14775 [0,1,0,0,1,0|1,0,0]=3 548 B10R1.23 c1cc(sc1)C(C(=O)O)N AB00429 [0,1,0,0,1,0|1,0,0]=3 549 B10R1.23 c1cc(sc1)[C@@H](C(=O)O)N AB03043 [0,1,0,0,1,0|1,0,0]=3 550 B10R1.23 c1cc(sc1)[C@H](C(=O)O)N AB02992 [0,1,0,0,1,0|1,0,0]=3 551 B10R1.23 c1cscc1C(C(=O)O)N AB12428 [0,1,0,0,1,0|1,0,0]=3 552 B10R1.23 c1cscc1C(C(=O)O)N CB10205 [0,1,0,0,1,0|1,0,0]=3 553 B10R1.27 COC(=O)Cc1ccsc1 PB15626 [0,1,0,0,1,0|1,0,0]=3 554 B10R1.54 Cc1ccn(n1)CC(=O)O AB14474 [0,1,0,0,1,0|2,0,0]=4 555 B10R1.54 Cc1nc(cs1)CC(=O)O AB12126 [0,1,0,0,1,0|2,0,0]=4 556 B10R1.54 Cn1cc(nc1)CC(=O)O CB11156 [0,1,0,0,1,0|2,0,0]=4 557 B10R1.54 c1c(nc(s1)CC(=O)O)Cl PB38781 [0,1,0,0,1,0|2,0,0]=4 558 B10R1.54 c1c(sc(n1)CC(=O)O)Cl PB15499 [0,1,0,0,1,0|2,0,0]=4 559 B10R1.54 c1c(sc(n1)N)CC(=O)O PB16173 [0,1,0,0,1,0|2,0,0]=4 560 B10R1.64 Cc1c(scn1)CC(=O)O AB09733 [0,1,0,0,1,0|2,0,0]=4 561 B10R1.64 Cc1ccnn1CC(=O)O AB14505 [0,1,0,0,1,0|2,0,0]=4 562 B10R1.64 Cn1cccc1CC(=O)O AB31637 [0,1,0,0,1,0|1,0,0]=3 563 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [0,1,0,0,0,1|1,0,0]=3 564 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [0,1,0,0,0,1|1,0,0]=3 565 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [0,1,0,0,0,1|1,0,0]=3 566 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [0,1,0,0,0,1|1,0,0]=3 567 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [0,1,0,0,0,1|0,0,0]=2 568 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [0,1,0,0,0,1|1,0,0]=3 569 B12R1.21 c1c(ncc(n1)Cl)CCC(=O)O AB69916 [0,1,0,0,0,1|2,0,0]=4 570 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [0,1,0,0,0,1|0,0,0]=2 571 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [0,1,0,0,0,1|0,0,0]=2 572 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [0,1,0,0,0,1|0,0,0]=2 573 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [0,1,0,0,0,1|0,0,0]=2 574 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [0,1,0,0,0,1|0,0,0]=2 575 B12R1.21 c1cc(ccc1CNC(=N)N)N AB48587 [0,1,0,0,0,1|2,0,0]=4 576 B12R1.21 c1cc(ccc1OCC(=N)N)F AB08309 [0,1,0,0,0,1|2,0,0]=4 577 B12R1.21 c1cc(ccc1OCC(=O)O)Cl AB00355 [0,1,0,0,0,1|0,0,0]=2 578 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [0,1,0,0,0,1|0,0,1]=3 579 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [0,1,0,0,0,1|0,0,1]=3 580 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [0,1,0,0,0,1|0,0,1]=3 581 B12R1.27 c1ccc(cc1)COC(=O)CN CB10135 [0,1,0,0,0,1|1,0,0]=3 582 B12R1.43 c1cc(cnc1)CC(C(=O)O)N AB11720 [0,1,0,0,0,1|1,0,0]=3 583 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N AB03059 [0,1,0,0,0,1|1,0,0]=3 584 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB03057 [0,1,0,0,0,1|1,0,0]=3 585 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N AB13745 [0,1,0,0,0,1|1,0,0]=3 586 B12R1.43 c1ccc(cc1)CC(C(=O)O)N AB02573 [0,1,0,0,0,1|0,0,0]=2 587 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N AB02575 [0,1,0,0,0,1|0,0,0]=2 588 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br AB04813 [0,1,0,0,0,1|0,0,0]=2 589 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N AB00345 [0,1,0,0,0,1|0,0,0]=2 590 B12R1.43 c1ccnc(c1)CC(C(=O)O)N AB05436 [0,1,0,0,0,1|1,0,0]=3 591 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N AB05414 [0,1,0,0,0,1|1,0,0]=3 592 B12R1.43 c1cnccc1CC(C(=O)O)N AB21677 [0,1,0,0,0,1|1,0,0]=3 593 B12R1.43 c1cnccc1C[C@H](C(=O)O)N AB10088 [0,1,0,0,0,1|1,0,0]=3 594 B12R1.107 c1cc(cnc1)C(CC(=O)O)N AB09204 [0,1,0,0,0,1|1,0,0]=3 595 B12R1.107 c1cc(cnc1)[C@@H](CC(=O)O)N AB17754 [0,1,0,0,0,1|1,0,0]=3 596 B12R1.107 c1cc(cnc1)[C@H](CC(=O)O)N AB17820 [0,1,0,0,0,1|1,0,0]=3 597 B12R1.107 c1ccc(cc1)C(CC(=O)O)N AB00922 [0,1,0,0,0,1|0,0,0]=2 598 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AB08206 [0,1,0,0,0,1|0,0,0]=2 599 B12R1.107 c1ccnc(c1)C(CC(=O)O)N AB23245 [0,1,0,0,0,1|1,0,0]=3 600 B12R1.107 c1ccnc(c1)[C@@H](CC(=O)O)N AB29680 [0,1,0,0,0,1|1,0,0]=3 601 B12R1.107 c1ccnc(c1)[C@H](CC(=O)O)N AB29681 [0,1,0,0,0,1|1,0,0]=3 602 B12R1.107 c1cnccc1C(CC(=O)O)N AB09530 [0,1,0,0,0,1|1,0,0]=3 603 B12R1.107 c1cnccc1[C@@H](CC(=O)O)N AB36081 [0,1,0,0,0,1|1,0,0]=3 604 B12R1.107 c1cnccc1[C@H](CC(=O)O)N AB17832 [0,1,0,0,0,1|1,0,0]=3 605 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AB08440 [0,1,0,0,0,1|0,0,0]=2 606 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl AB01190 [0,1,0,0,0,1|0,0,0]=2 607 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AB08452 [0,1,0,0,0,1|0,0,0]=2 608 B12R1.125 c1ccc(c(c1)CCC(=O)O)I MB00406 [0,1,0,0,0,1|0,0,0]=2 609 B12R1.125 c1ccc(c(c1)CCC(=O)O)O MB00231 [0,1,0,0,0,1|0,0,0]=2 610 B12R1.125 c1ccc(c(c1)CNC(=N)N)N AB54835 [0,1,0,0,0,1|2,0,0]=4 611 B12R1.226 CC(=O)COc1cccc(c1)Br AB26134 [0,1,0,0,0,1|1,0,0]=3 612 B12R1.226 CC(=O)COc1cccc(c1)Cl AB26133 [0,1,0,0,0,1|1,0,0]=3 613 B12R1.226 CC(=O)COc1cccc(c1)F AB26135 [0,1,0,0,0,1|1,0,0]=3 614 B12R1.226 CC(=O)NCc1cc(cnc1)Br AB68529 [0,1,0,0,0,1|2,0,0]=4 615 B12R1.226 CC(=O)OCc1cc(ccn1)Br AB65591 [0,1,0,0,0,1|2,0,0]=4 616 B12R1.226 Cc1cccc(c1)CCC(=O)O AB02387 [0,1,0,0,0,1|0,0,0]=2 617 B12R1.226 Cc1cccc(c1)CCC(=O)[O-] AB72171 [0,1,0,0,0,1|0,0,1]=3 618 B12R1.226 Cc1cccc(c1)OCC(=O)C AB26138 [0,1,0,0,0,1|1,0,0]=3 619 B12R1.226 c1cc(cc(c1)Br)CCC(=O)N AB64468 [0,1,0,0,0,1|1,0,0]=3 620 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O AB08444 [0,1,0,0,0,1|0,0,0]=2 621 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O AB08448 [0,1,0,0,0,1|0,0,0]=2 622 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O AB01185 [0,1,0,0,0,1|0,0,0]=2 623 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [0,1,0,0,0,1|0,0,1]=3 624 B12R1.226 c1cc(cc(c1)F)CCC(=O)O AB08454 [0,1,0,0,0,1|0,0,0]=2 625 B12R1.226 c1cc(cc(c1)N)CNC(=N)N AB54828 [0,1,0,0,0,1|2,0,0]=4 626 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl AB20716 [0,1,0,0,0,1|1,0,1]=4 627 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.4 COc1ccc(cc1)CC(=N)N AB09931 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.4 COc1ccc(cn1)CC(=O)O AB55204 [0,2,0,0,0,0|1,0,0]=3 630 B12R1.4 COc1cnc(cn1)CC(=O)O AB69887 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.4 c1cc(ccc1CC(=O)O)CN AB17066 [0,2,0,0,0,0|0,0,0]=2 632 B12R1.19 CC(=O)Oc1ccc(c(c1)Cl)F MB07187 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.19 Cc1cc(ncc1Br)CC(=O)O AB41182 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.19 Cc1cc(ncc1Cl)CC(=O)O AB41190 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.19 Cc1ccc(cc1Br)NC(=O)C AB07992 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.19 Cc1ccc(nc1C)CC(=O)O AB74109 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.19 c1c(ncc(c1Cl)Cl)CC(=O)O AB70221 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.19 c1c(ncc(c1Cl)F)CC(=O)O AB74103 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.19 c1cc(c(nc1CC(=O)O)F)Cl AB71038 [0,2,0,0,0,0|1,0,0]=3 640 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N AB06684 [0,2,0,0,0,0|0,0,0]=2 641 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)N AB32672 [0,2,0,0,0,0|0,0,0]=2 642 B12R1.20 Cc1ccc(nc1)C(C(=O)O)O AB31481 [0,2,0,0,0,0|1,0,0]=3 643 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br AB02090 [0,2,0,0,0,0|0,0,0]=2 644 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br AB20158 [0,2,0,0,0,0|0,0,0]=2 645 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl AB02094 [0,2,0,0,0,0|0,0,0]=2 646 B12R1.20 c1cc(ccc1C(C(=O)O)N)F AB02694 [0,2,0,0,0,0|0,0,0]=2 647 B12R1.20 c1cc(ccc1C(C(=O)O)N)F AB24574 [0,2,0,0,0,0|0,0,0]=2 648 B12R1.20 c1cc(ccc1C(C(=O)O)N)O AB02671 [0,2,0,0,0,0|0,0,0]=2 649 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl AB15770 [0,2,0,0,0,0|0,0,0]=2 650 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F AB04848 [0,2,0,0,0,0|0,0,0]=2 651 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Br AB32807 [0,2,0,0,0,0|0,0,0]=2 652 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Cl AB16238 [0,2,0,0,0,0|0,0,0]=2 653 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F AB01939 [0,2,0,0,0,0|0,0,0]=2 654 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O AB00341 [0,2,0,0,0,0|0,0,0]=2 655 B12R1.20 c1cc(ncc1C(C(=O)O)N)Br AB32552 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.20 c1cc(ncc1C(C(=O)O)N)Cl AB32556 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.49 COC(=N)Cc1ccc(cc1)Br AB60928 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.49 COC(=N)Cc1ccc(cc1)Cl AB60925 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.49 COC(=N)Cc1ccc(cc1)F AB60924 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.49 COC(=O)Cc1ccc(cc1)Br PB24610 [0,2,0,0,0,0|0,0,0]=2 661 B12R1.49 COC(=O)Cc1ncc(cn1)Br PB24257 [0,2,0,0,0,0|2,0,0]=4 662 B12R1.49 COC(=O)Nc1ccc(cn1)Br MB01437 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.49 COC(=O)Nc1ccc(nc1)Br MB14348 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.49 Cc1ccc(cc1)CC(=N)OC AB60933 [0,2,0,0,0,0|1,0,0]=3 665 B12R1.49 c1cc(ccc1CC(C#N)O)F AB13917 [0,2,0,0,0,0|1,0,1]=4 666 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O MB00396 [0,2,0,0,0,0|1,0,1]=4 667 B12R1.106 c1cc(ccc1CS(=O)(=O)Cl)Br AB21352 [0,2,0,0,0,0|1,0,1]=4 668 B12R1.106 c1cc(ccc1CS(=O)(=O)Cl)Cl AB09400 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.106 c1cc(ccc1CS(=O)(=O)Cl)F AB09405 [0,2,0,0,0,0|1,0,1]=4 670 B12R1.233 c1c(cnc(c1N)CC(=O)O)Br AB40972 [0,2,0,0,0,0|1,0,0]=3 671 B12R1.233 c1c(cnc(c1N)CC(=O)O)Cl AB41048 [0,2,0,0,0,0|1,0,0]=3 672 B12R1.34 CN(c1ccccc1)C(=O)CO AB13884 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.34 COC(=O)C(c1ccccn1)N CB11313 [0,2,0,0,0,0|1,0,0]=3 674 B12R1.34 COC(=O)[C@@H](c1ccccc1)Br AB70356 [0,2,0,0,0,0|0,0,0]=2 675 B12R1.124 Cc1ccccc1C(C(=O)O)N AB11985 [0,2,0,0,0,0|0,0,0]=2 676 B12R1.124 Cc1ccccc1C(C(=O)O)N AB24607 [0,2,0,0,0,0|0,0,0]=2 677 B12R1.124 Cc1ccccc1[C@@H](C(=O)O)N AB30505 [0,2,0,0,0,0|0,0,0]=2 678 B12R1.124 Cc1ccccc1[C@H](C(=O)O)N AB32649 [0,2,0,0,0,0|0,0,0]=2 679 B12R1.124 Cc1cccnc1C(C(=O)O)O AB31474 [0,2,0,0,0,0|1,0,0]=3 680 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Br CB10378 [0,2,0,0,0,0|0,0,1]=3 681 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Cl AB24958 [0,2,0,0,0,0|0,0,1]=3 682 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F AB28722 [0,2,0,0,0,0|0,0,1]=3 683 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Br AB11975 [0,2,0,0,0,0|0,0,0]=2 684 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Cl AB02080 [0,2,0,0,0,0|0,0,0]=2 685 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)Cl AB24559 [0,2,0,0,0,0|0,0,0]=2 686 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)F AB01936 [0,2,0,0,0,0|0,0,0]=2 687 B12R1.124 c1ccc(c(c1)C(C(=O)O)N)O AB01138 [0,2,0,0,0,0|0,0,0]=2 688 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)Br AB32771 [0,2,0,0,0,0|0,0,0]=2 689 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)Cl AB14834 [0,2,0,0,0,0|0,0,0]=2 690 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)F AB30501 [0,2,0,0,0,0|0,0,0]=2 691 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)O AB32827 [0,2,0,0,0,0|0,0,0]=2 692 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)Br AB32767 [0,2,0,0,0,0|0,0,0]=2 693 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)F AB32730 [0,2,0,0,0,0|0,0,0]=2 694 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)O AB32824 [0,2,0,0,0,0|0,0,0]=2 695 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O AB14392 [0,2,0,0,0,0|0,0,0]=2 696 B12R1.225 Cc1cccc(c1)C(C(=O)O)N AB11988 [0,2,0,0,0,0|0,0,0]=2 697 B12R1.225 Cc1cccc(c1)C(C(=O)O)N AB24611 [0,2,0,0,0,0|0,0,0]=2 698 B12R1.225 Cc1cccc(c1)[C@@H](C(=O)O)N AB32661 [0,2,0,0,0,0|0,0,0]=2 699 B12R1.225 Cc1cccc(c1)[C@H](C(=O)O)N AB32657 [0,2,0,0,0,0|0,0,0]=2 700 B12R1.225 Cc1cccc(n1)C(C(=O)O)O AB31470 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.225 Cc1ccnc(c1)C(C(=O)O)O AB31477 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.225 c1c(cncc1Br)C(C(=O)O)N AB32541 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)N AB06688 [0,2,0,0,0,0|0,0,0]=2 704 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)N AB24597 [0,2,0,0,0,0|0,0,0]=2 705 B12R1.225 c1cc(cc(c1)Br)[C@@H](C(=O)O)N AB32790 [0,2,0,0,0,0|0,0,0]=2 706 B12R1.225 c1cc(cc(c1)Br)[C@H](C(=O)O)N AB32787 [0,2,0,0,0,0|0,0,0]=2 707 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N AB02088 [0,2,0,0,0,0|0,0,0]=2 708 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N AB24563 [0,2,0,0,0,0|0,0,0]=2 709 B12R1.225 c1cc(cc(c1)Cl)[C@@H](C(=O)O)N AB16236 [0,2,0,0,0,0|0,0,0]=2 710 B12R1.225 c1cc(cc(c1)F)C(C(=O)O)N AB02084 [0,2,0,0,0,0|0,0,0]=2 711 B12R1.225 c1cc(cc(c1)F)C(C(=O)O)N AB24571 [0,2,0,0,0,0|0,0,0]=2 712 B12R1.225 c1cc(cc(c1)F)[C@@H](C(=O)O)N AB05384 [0,2,0,0,0,0|0,0,0]=2 713 B12R1.225 c1cc(cc(c1)I)C(C(=O)O)N AB24603 [0,2,0,0,0,0|0,0,0]=2 714 B12R1.225 c1cc(cc(c1)O)C(C(=O)O)N AB06901 [0,2,0,0,0,0|0,0,0]=2 715 B12R1.225 c1cc(cc(c1)O)[C@@H](C(=O)O)N AB06905 [0,2,0,0,0,0|0,0,0]=2 716 B12R1.225 c1cc(cc(c1)O)[C@H](C(=O)O)N AB01055 [0,2,0,0,0,0|0,0,0]=2 717 B12R1.253 CC(c1ccccc1)(C(=O)O)N AB04677 [0,2,0,0,0,0|0,0,0]=2 718 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)N AB33357 [0,2,0,0,0,0|0,0,0]=2 719 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O AB02735 [0,2,0,0,0,0|0,0,0]=2 720 B12R1.253 C[C@](c1ccccc1)(C(=O)O)N AB33354 [0,2,0,0,0,0|0,0,0]=2 721 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O AB02737 [0,2,0,0,0,0|0,0,0]=2 722 B12R1.253 c1ccc(cc1)C(C(=O)O)(F)F AB06356 [0,2,0,0,0,0|0,0,0]=2 723 B12R1.253 c1ccnc(c1)C(C(=O)O)(F)F PB10956 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.478 CNC(c1ccccc1)C(=O)O AB08751 [0,2,0,0,0,0|0,0,0]=2 725 B12R1.478 c1cc(cnc1)C(CN)C(=O)O AB16159 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.478 c1ccc(cc1)C(CN)C(=O)O AB11929 [0,2,0,0,0,0|0,0,0]=2 727 B12R1.478 c1ccc(cc1)[C@H](CN)C(=O)O AB62462 [0,2,0,0,0,0|0,0,0]=2 728 B12R1.478 c1ccnc(c1)C(CN)C(=O)O AB62452 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.478 c1cnccc1C(CN)C(=O)O AB62451 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.32 CCOC(=O)Cc1ccccn1 AB00728 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.32 CCOC(=O)Cc1cnccn1 AB62539 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.32 CCOC(=O)Cc1ncccn1 PB14776 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.50 COC(=N)Cc1cccc(c1)Br AB60935 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.50 COC(=N)Cc1cccc(c1)F AB60943 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.50 COC(=O)Cc1cccc(c1)F CB10636 [0,2,0,0,0,0|0,0,0]=2 736 B12R1.50 COC(=O)Nc1cc(cnc1)Br MB14337 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.50 COC(=O)Nc1cccc(n1)Br MB11682 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.50 COC(=O)Nc1ccnc(c1)Br MB14322 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.50 Cc1cccc(c1)CC(=N)OC AB60932 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.371 COC(=N)Cc1ccccc1Cl AB60946 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.371 COC(=O)Cc1c(cccn1)Br PB23028 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.371 COC(=O)Cc1ccccc1Br AB42488 [0,2,0,0,0,0|0,0,0]=2 743 B12R1.371 COC(=O)Cc1ccccc1N AB21308 [0,2,0,0,0,0|0,0,0]=2 744 B12R1.371 COC(=O)Cc1cccnc1Cl AB76392 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.371 COC(=O)Cc1ccncc1N AB63978 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.75 CC(=O)Nc1ccccc1C=O AB29065 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.127 c1cc(nc(c1Cl)CC(=O)O)Cl AB71029 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.151 Cc1ccccc1CS(=O)(=O)Cl AB12323 [0,2,0,0,0,0|1,0,1]=4 749 B12R1.224 c1cnc(c(c1CC(=O)O)N)O AB63461 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.1009 c1cc(c(c(c1)F)CC(=O)O)N AB31835 [0,2,0,0,0,0|0,0,0]=2 751 B12R1.1009 c1cc(c(c(c1)F)CC(=O)O)O AB31842 [0,2,0,0,0,0|0,0,0]=2 752 B12R1.101 Cc1cc(cc(c1)Br)CC(=O)O AB75546 [0,2,0,0,0,0|0,0,0]=2 753 B12R1.101 Cc1cc(cc(c1)CC(=O)O)C AB03133 [0,2,0,0,0,0|0,0,0]=2 754 B12R1.101 Cc1cc(cc(c1)Cl)CC(=O)O AB55225 [0,2,0,0,0,0|0,0,0]=2 755 B12R1.101 Cc1cc(cc(c1)F)CC(=O)O AB13322 [0,2,0,0,0,0|0,0,0]=2 756 B12R1.101 Cc1cc(cc(c1)I)CC(=O)O AB75650 [0,2,0,0,0,0|0,0,0]=2 757 B12R1.101 Cc1cc(cc(c1)N)CC(=O)O AB75518 [0,2,0,0,0,0|0,0,0]=2 758 B12R1.101 Cc1cc(cc(c1)O)CC(=O)O AB70661 [0,2,0,0,0,0|0,0,0]=2 759 B12R1.101 Cc1cc(cc(n1)Br)CC(=O)O AB71101 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.101 Cc1cc(cc(n1)C)CC(=O)O AB76124 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.101 Cc1cc(cc(n1)CC(=O)O)Br AB81620 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.101 Cc1cc(cc(n1)CC(=O)O)Cl AB75761 [0,2,0,0,0,0|1,0,0]=3 763 B12R1.101 Cc1cc(cc(n1)CC(=O)O)F AB81579 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.101 Cc1cc(cc(n1)CC(=O)O)I AB81638 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.101 Cc1cc(cc(n1)CC(=O)O)N AB81488 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.101 Cc1cc(cc(n1)CC(=O)O)O AB81499 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.101 Cc1cc(cc(n1)Cl)CC(=O)O AB71041 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.101 Cc1cc(cc(n1)F)CC(=O)O AB71351 [0,2,0,0,0,0|1,0,0]=3 769 B12R1.101 Cc1cc(cc(n1)I)CC(=O)O AB81789 [0,2,0,0,0,0|1,0,0]=3 770 B12R1.101 Cc1cc(cc(n1)N)CC(=O)O AB70912 [0,2,0,0,0,0|1,0,0]=3 771 B12R1.101 Cc1cc(cc(n1)O)CC(=O)O AB71368 [0,2,0,0,0,0|1,0,0]=3 772 B12R1.101 Cc1cc(nc(c1)Br)CC(=O)O AB81434 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.101 Cc1cc(nc(c1)CC(=O)O)C AB76514 [0,2,0,0,0,0|1,0,0]=3 774 B12R1.101 Cc1cc(nc(c1)Cl)CC(=O)O AB71044 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.101 Cc1cc(nc(c1)F)CC(=O)O AB81396 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.101 Cc1cc(nc(c1)I)CC(=O)O AB81448 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.101 Cc1cc(nc(c1)N)CC(=O)O AB81682 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.101 Cc1cc(nc(c1)O)CC(=O)O AB81697 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.101 Cc1cc(nc(n1)CC(=O)O)Cl AB59201 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.101 c1c(cc(cc1Br)Br)CC(=O)O AB42985 [0,2,0,0,0,0|0,0,0]=2 781 B12R1.101 c1c(cc(cc1Br)I)CC(=O)O AB75538 [0,2,0,0,0,0|0,0,0]=2 782 B12R1.101 c1c(cc(cc1Cl)Br)CC(=O)O AB75452 [0,2,0,0,0,0|0,0,0]=2 783 B12R1.101 c1c(cc(cc1Cl)Cl)CC(=N)N AB60876 [0,2,0,0,0,0|2,0,0]=4 784 B12R1.101 c1c(cc(cc1Cl)Cl)CC(=O)O AB09922 [0,2,0,0,0,0|0,0,0]=2 785 B12R1.101 c1c(cc(cc1Cl)I)CC(=O)O AB75569 [0,2,0,0,0,0|0,0,0]=2 786 B12R1.101 c1c(cc(cc1F)Br)CC(=O)O AB49786 [0,2,0,0,0,0|0,0,0]=2 787 B12R1.101 c1c(cc(cc1F)Cl)CC(=O)O AB16023 [0,2,0,0,0,0|0,0,0]=2 788 B12R1.101 c1c(cc(cc1F)F)CC(=O)O AB01029 [0,2,0,0,0,0|0,0,0]=2 789 B12R1.101 c1c(cc(cc1F)I)CC(=O)O AB75631 [0,2,0,0,0,0|0,0,0]=2 790 B12R1.101 c1c(cc(cc1I)I)CC(=O)O AB64269 [0,2,0,0,0,0|0,0,0]=2 791 B12R1.101 c1c(cc(cc1N)Br)CC(=O)O AB75505 [0,2,0,0,0,0|0,0,0]=2 792 B12R1.101 c1c(cc(cc1N)Cl)CC(=O)O AB75506 [0,2,0,0,0,0|0,0,0]=2 793 B12R1.101 c1c(cc(cc1N)F)CC(=O)O AB78083 [0,2,0,0,0,0|0,0,0]=2 794 B12R1.101 c1c(cc(cc1N)I)CC(=O)O AB75509 [0,2,0,0,0,0|0,0,0]=2 795 B12R1.101 c1c(cc(cc1N)N)CC(=O)O AB78158 [0,2,0,0,0,0|0,0,0]=2 796 B12R1.101 c1c(cc(cc1O)Br)CC(=O)O AB75529 [0,2,0,0,0,0|0,0,0]=2 797 B12R1.101 c1c(cc(cc1O)Cl)CC(=O)O AB75563 [0,2,0,0,0,0|0,0,0]=2 798 B12R1.101 c1c(cc(cc1O)F)CC(=O)O AB75624 [0,2,0,0,0,0|0,0,0]=2 799 B12R1.101 c1c(cc(cc1O)I)CC(=O)O AB78107 [0,2,0,0,0,0|0,0,0]=2 800 B12R1.101 c1c(cc(cc1O)O)CC(=O)O AB15434 [0,2,0,0,0,0|0,0,0]=2 801 B12R1.101 c1c(cc(nc1Br)Br)CC(=O)O AB71024 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.101 c1c(cc(nc1Br)I)CC(=O)O AB81772 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.101 c1c(cc(nc1CC(=O)O)Br)Br AB81430 [0,2,0,0,0,0|1,0,0]=3 804 B12R1.101 c1c(cc(nc1CC(=O)O)Br)Cl AB81597 [0,2,0,0,0,0|1,0,0]=3 805 B12R1.101 c1c(cc(nc1CC(=O)O)Br)F AB81572 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.101 c1c(cc(nc1CC(=O)O)Br)I AB81432 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.101 c1c(cc(nc1CC(=O)O)Br)N AB81437 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.101 c1c(cc(nc1CC(=O)O)Br)O AB81445 [0,2,0,0,0,0|1,0,0]=3 809 B12R1.101 c1c(cc(nc1CC(=O)O)Cl)Br AB81406 [0,2,0,0,0,0|1,0,0]=3 810 B12R1.101 c1c(cc(nc1CC(=O)O)Cl)Cl AB76673 [0,2,0,0,0,0|1,0,0]=3 811 B12R1.101 c1c(cc(nc1CC(=O)O)Cl)F AB81571 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.101 c1c(cc(nc1CC(=O)O)Cl)I AB81409 [0,2,0,0,0,0|1,0,0]=3 813 B12R1.101 c1c(cc(nc1CC(=O)O)Cl)N AB81417 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.101 c1c(cc(nc1CC(=O)O)Cl)O AB81427 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.101 c1c(cc(nc1CC(=O)O)F)Br AB81391 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.101 c1c(cc(nc1CC(=O)O)F)Cl AB81389 [0,2,0,0,0,0|1,0,0]=3 817 B12R1.101 c1c(cc(nc1CC(=O)O)F)F AB81386 [0,2,0,0,0,0|1,0,0]=3 818 B12R1.101 c1c(cc(nc1CC(=O)O)F)I AB81393 [0,2,0,0,0,0|1,0,0]=3 819 B12R1.101 c1c(cc(nc1CC(=O)O)F)N AB70454 [0,2,0,0,0,0|1,0,0]=3 820 B12R1.101 c1c(cc(nc1CC(=O)O)F)O AB81405 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.101 c1c(cc(nc1CC(=O)O)I)Br AB81617 [0,2,0,0,0,0|1,0,0]=3 822 B12R1.101 c1c(cc(nc1CC(=O)O)I)Cl AB81600 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.101 c1c(cc(nc1CC(=O)O)I)F AB81575 [0,2,0,0,0,0|1,0,0]=3 824 B12R1.101 c1c(cc(nc1CC(=O)O)I)N AB81452 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.101 c1c(cc(nc1CC(=O)O)I)O AB81463 [0,2,0,0,0,0|1,0,0]=3 826 B12R1.101 c1c(cc(nc1CC(=O)O)N)Br AB81624 [0,2,0,0,0,0|1,0,0]=3 827 B12R1.101 c1c(cc(nc1CC(=O)O)N)Cl AB81606 [0,2,0,0,0,0|1,0,0]=3 828 B12R1.101 c1c(cc(nc1CC(=O)O)N)F AB81582 [0,2,0,0,0,0|1,0,0]=3 829 B12R1.101 c1c(cc(nc1CC(=O)O)N)I AB81643 [0,2,0,0,0,0|1,0,0]=3 830 B12R1.101 c1c(cc(nc1CC(=O)O)N)N AB81549 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.101 c1c(cc(nc1CC(=O)O)O)Br AB81634 [0,2,0,0,0,0|1,0,0]=3 832 B12R1.101 c1c(cc(nc1CC(=O)O)O)Cl AB81616 [0,2,0,0,0,0|1,0,0]=3 833 B12R1.101 c1c(cc(nc1CC(=O)O)O)F AB81595 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.101 c1c(cc(nc1CC(=O)O)O)I AB81655 [0,2,0,0,0,0|1,0,0]=3 835 B12R1.101 c1c(cc(nc1CC(=O)O)O)O AB81568 [0,2,0,0,0,0|1,0,0]=3 836 B12R1.101 c1c(cc(nc1Cl)Br)CC(=O)O AB71031 [0,2,0,0,0,0|1,0,0]=3 837 B12R1.101 c1c(cc(nc1Cl)Cl)CC(=O)O AB71027 [0,2,0,0,0,0|1,0,0]=3 838 B12R1.101 c1c(cc(nc1Cl)I)CC(=O)O AB81757 [0,2,0,0,0,0|1,0,0]=3 839 B12R1.101 c1c(cc(nc1F)Br)CC(=O)O AB71032 [0,2,0,0,0,0|1,0,0]=3 840 B12R1.101 c1c(cc(nc1F)Cl)CC(=O)O AB71035 [0,2,0,0,0,0|1,0,0]=3 841 B12R1.101 c1c(cc(nc1N)Br)CC(=O)O AB81775 [0,2,0,0,0,0|1,0,0]=3 842 B12R1.101 c1c(cc(nc1N)Cl)CC(=O)O AB81765 [0,2,0,0,0,0|1,0,0]=3 843 B12R1.101 c1c(cc(nc1N)F)CC(=O)O AB81749 [0,2,0,0,0,0|1,0,0]=3 844 B12R1.101 c1c(cc(nc1N)I)CC(=O)O AB81794 [0,2,0,0,0,0|1,0,0]=3 845 B12R1.101 c1c(cc(nc1N)N)CC(=O)O AB81868 [0,2,0,0,0,0|1,0,0]=3 846 B12R1.101 c1c(cc(nc1O)Br)CC(=O)O AB81785 [0,2,0,0,0,0|1,0,0]=3 847 B12R1.101 c1c(cc(nc1O)Cl)CC(=O)O AB71020 [0,2,0,0,0,0|1,0,0]=3 848 B12R1.101 c1c(cc(nc1O)F)CC(=O)O AB71326 [0,2,0,0,0,0|1,0,0]=3 849 B12R1.101 c1c(cc(nc1O)I)CC(=O)O AB81804 [0,2,0,0,0,0|1,0,0]=3 850 B12R1.101 c1c(cc(nc1O)O)CC(=O)O AB81886 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.119 c1cc(cc(c1)Cl)CS(=O)(=O)Cl AB12326 [0,2,0,0,0,0|1,0,1]=4 852 B12R1.438 COc1cc(ccn1)CC(=O)O AB61445 [0,2,0,0,0,0|1,0,0]=3 853 B12R1.438 COc1cccc(c1)CC(=N)N AB21306 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.438 COc1cccc(n1)CC(=O)O AB55197 [0,2,0,0,0,0|1,0,0]=3 855 B12R1.438 COc1ccnc(n1)CC(=O)O AB59188 [0,2,0,0,0,0|2,0,0]=4 856 B12R1.438 c1cnc(cc1CC(=O)O)C#N AB31454 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.438 c1cnc(cc1CC(=O)O)CN AB31451 [0,2,0,0,0,0|1,0,0]=3 858 B10R2.7 c1cc2c(cco2)nc1 PB26741 [1,0,0,1,0,0|1,0,1]=4 859 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,1,0,0|2,0,0]=4 860 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,1,0,0|2,0,0]=4 861 B12R2.22 c1ccc(cc1)C2CC(=O)C2 PB26115 [0,0,0,1,0,1|1,0,0]=3 862 B12R2.22 c1ccc(cc1)C2CC(=O)N2 AB10995 [0,0,0,1,0,1|1,0,0]=3 863 B12R2.22 c1ccc(cc1)N2CC(C2)O PB37862 [0,0,0,1,0,1|1,0,1]=4 864 B12R2.24 CC1CNc2ccccc2O1 AB30912 [0,0,0,1,0,1|1,0,1]=4 865 B12R2.24 c1cc2c(nc1)CC(=O)NC2 AB77257 [0,0,0,1,0,1|2,0,0]=4 866 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,0,0,1,0,1|2,0,0]=4 867 B12R2.24 c1cc2c(nc1)NC(=O)CC2 PB12351 [0,0,0,1,0,1|2,0,0]=4 868 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [0,0,0,1,0,1|2,0,0]=4 869 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,1,0,1|1,0,0]=3 870 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,0,0,1,0,1|1,0,0]=3 871 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,0,0,1,0,1|1,0,0]=3 872 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [0,0,0,1,0,1|1,0,1]=4 873 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [0,0,0,1,0,1|1,0,1]=4 874 B12R2.24 c1cncc2=CCC(=O)N=c21 AB42569 [0,0,0,1,0,1|2,0,0]=4 875 B12R2.24 c1cncc2c1CC(=O)NC2 AB64881 [0,0,0,1,0,1|2,0,0]=4 876 B12R2.24 c1cncc2c1CCC(=O)N2 MB05928 [0,0,0,1,0,1|2,0,0]=4 877 B12R2.24 c1cncc2c1CNC(=O)C2 AB68337 [0,0,0,1,0,1|2,0,0]=4 878 B12R2.24 c1cncc2c1NC(=O)CC2 MB05707 [0,0,0,1,0,1|2,0,0]=4 879 B12R2.606 Cc1cc2cc(ccc2o1)I AB08838 [0,1,0,1,0,0|1,0,1]=4 880 B12R2.606 Cc1ccc2=NC(=O)N=c2c1 AB07026 [0,1,0,1,0,0|2,0,0]=4 881 B12R2.606 Cc1ccc2c(c1)nc(o2)Cl AB43172 [0,1,0,1,0,0|2,0,0]=4 882 B12R2.606 Cc1ccc2c(c1)nc(o2)N AB09696 [0,1,0,1,0,0|2,0,0]=4 883 B12R2.606 Cc1ccc2c(c1)nc(o2)S AB45304 [0,1,0,1,0,0|1,1,0]=4 884 B12R2.606 Cc1ccc2c(c1)oc(n2)Cl AB65043 [0,1,0,1,0,0|2,0,0]=4 885 B12R2.606 Cc1ccc2c(c1)oc(n2)S AB03206 [0,1,0,1,0,0|1,1,0]=4 886 B12R2.606 Cc1ccc2c(n1)CC(=O)N2 AB66460 [0,1,0,1,0,0|2,0,0]=4 887 B12R2.606 Cc1ccc2c(n1)NC(=O)C2 AB73881 [0,1,0,1,0,0|2,0,0]=4 888 B12R2.606 Cc1nc2ccc(cc2o1)Br AB25987 [0,1,0,1,0,0|2,0,0]=4 889 B12R2.606 Cc1nc2ccc(cc2o1)Cl AB49156 [0,1,0,1,0,0|2,0,0]=4 890 B12R2.606 c1c(cnc2c1CC(=O)N2)Br PB18779 [0,1,0,1,0,0|2,0,0]=4 891 B12R2.606 c1c(cnc2c1CC(=O)N2)Cl PB30032 [0,1,0,1,0,0|2,0,0]=4 892 B12R2.606 c1c(cnc2c1CC(=O)N2)F PB30039 [0,1,0,1,0,0|2,0,0]=4 893 B12R2.606 c1c(cnc2c1NC(=O)C2)Br PB24075 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.606 c1c(cnc2c1NC(=O)C2)Cl PB21798 [0,1,0,1,0,0|2,0,0]=4 895 B12R2.606 c1c(cnc2c1oc(=O)[nH]2)N AB65779 [0,1,0,1,0,0|2,0,0]=4 896 B12R2.606 c1c2c(cnc1Br)CC(=O)N2 AB71543 [0,1,0,1,0,0|2,0,0]=4 897 B12R2.606 c1c2c(cnc1Br)NC(=O)C2 PB28320 [0,1,0,1,0,0|2,0,0]=4 898 B12R2.606 c1c2c(cnc1Cl)CC(=O)N2 PB16060 [0,1,0,1,0,0|2,0,0]=4 899 B12R2.606 c1c2c(cnc1Cl)NC(=O)C2 PB31570 [0,1,0,1,0,0|2,0,0]=4 900 B12R2.606 c1cc(nc2c1CC(=O)N2)Br AB66483 [0,1,0,1,0,0|2,0,0]=4 901 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl PB25399 [0,1,0,1,0,0|2,0,0]=4 902 B12R2.606 c1cc(nc2c1NC(=O)C2)Br PB10498 [0,1,0,1,0,0|2,0,0]=4 903 B12R2.606 c1cc(nc2c1NC(=O)C2)Cl PB22129 [0,1,0,1,0,0|2,0,0]=4 904 B12R2.606 c1cc2=NC(=O)N=c2cc1Br AB10496 [0,1,0,1,0,0|2,0,0]=4 905 B12R2.606 c1cc2=NC(=O)N=c2cc1F AB21861 [0,1,0,1,0,0|2,0,0]=4 906 B12R2.606 c1cc2=NC(=O)N=c2cc1I AB21858 [0,1,0,1,0,0|2,0,0]=4 907 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 AB42440 [0,1,0,1,0,0|1,0,0]=3 908 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 PB32208 [0,1,0,1,0,0|1,0,0]=3 909 B12R2.606 c1cc2c(cc1Br)CC(C2)O AB66019 [0,1,0,1,0,0|1,0,1]=4 910 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [0,1,0,1,0,0|1,0,0]=3 911 B12R2.606 c1cc2c(cc1Br)nc(o2)Cl AB63671 [0,1,0,1,0,0|2,0,0]=4 912 B12R2.606 c1cc2c(cc1Br)nc(o2)N AB09697 [0,1,0,1,0,0|2,0,0]=4 913 B12R2.606 c1cc2c(cc1Br)oc(n2)Cl AB63667 [0,1,0,1,0,0|2,0,0]=4 914 B12R2.606 c1cc2c(cc1Br)oc(n2)N MB01972 [0,1,0,1,0,0|2,0,0]=4 915 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 AB04636 [0,1,0,1,0,0|1,0,0]=3 916 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [0,1,0,1,0,0|1,0,0]=3 917 B12R2.606 c1cc2c(cc1Cl)nc(o2)Cl PB26446 [0,1,0,1,0,0|2,0,0]=4 918 B12R2.606 c1cc2c(cc1Cl)nc(o2)S AB04398 [0,1,0,1,0,0|1,1,0]=4 919 B12R2.606 c1cc2c(cc1Cl)oc(n2)Cl AB32054 [0,1,0,1,0,0|2,0,0]=4 920 B12R2.606 c1cc2c(cc1Cl)oc(n2)N AB09701 [0,1,0,1,0,0|2,0,0]=4 921 B12R2.606 c1cc2c(cc1Cl)oc(n2)S AB07270 [0,1,0,1,0,0|1,1,0]=4 922 B12R2.606 c1cc2c(cc1F)CC(=O)N2 AB11374 [0,1,0,1,0,0|1,0,0]=3 923 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [0,1,0,1,0,0|1,0,0]=3 924 B12R2.606 c1cc2c(cc1F)nc(o2)Cl AB65045 [0,1,0,1,0,0|2,0,0]=4 925 B12R2.606 c1cc2c(cc1F)nc(o2)N AB09694 [0,1,0,1,0,0|2,0,0]=4 926 B12R2.606 c1cc2c(cc1I)CC(=O)N2 MB06441 [0,1,0,1,0,0|1,0,0]=3 927 B12R2.606 c1cc2c(cc1N)CC(=O)N2 PB27577 [0,1,0,1,0,0|1,0,0]=3 928 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [0,1,0,1,0,0|1,0,0]=3 929 B12R2.606 c1cc2c(cc1N)oc(n2)S AB48296 [0,1,0,1,0,0|1,1,0]=4 930 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [0,1,0,1,0,0|1,0,0]=3 931 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [0,1,0,1,0,0|2,0,0]=4 932 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [0,1,0,1,0,0|1,0,1]=4 933 B12R2.32 c1ccc2c(c1)CC(C2)CO MB05939 [0,1,0,1,0,0|1,0,1]=4 934 B12R2.32 c1ccc2c(c1)cc(o2)C=O CB10104 [0,1,0,1,0,0|0,0,1]=3 935 B12R2.32 c1ccc2c(c1)nc(o2)CCl AB22415 [0,1,0,1,0,0|2,0,0]=4 936 B12R2.32 c1ccc2c(c1)nc(o2)CN AB16902 [0,1,0,1,0,0|2,0,0]=4 937 B12R2.32 c1ccc2c(c1)nc(o2)NN AB03197 [0,1,0,1,0,0|2,0,0]=4 938 B12R2.32 c1ccc2c(c1)nc(s2)C=O AB06418 [0,1,0,1,0,0|1,1,0]=4 939 B12R2.202 Cc1cccc2=NC(=O)N=c12 AB44499 [0,1,0,1,0,0|2,0,0]=4 940 B12R2.202 Cc1cccc2c1nc(o2)S AB64565 [0,1,0,1,0,0|1,1,0]=4 941 B12R2.202 Cc1cccc2c1nc(s2)O AB16509 [0,1,0,1,0,0|1,1,0]=4 942 B12R2.202 Cc1cccc2c1oc(n2)S AB66120 [0,1,0,1,0,0|1,1,0]=4 943 B12R2.202 Cc1nc2c(cccc2o1)O MB20022 [0,1,0,1,0,0|2,0,0]=4 944 B12R2.202 Cc1nc2cccc(c2o1)Cl MB20025 [0,1,0,1,0,0|2,0,0]=4 945 B12R2.202 c1c2c(c(cn1)Br)CC(=O)N2 AB66495 [0,1,0,1,0,0|2,0,0]=4 946 B12R2.202 c1c2c(c(cn1)Cl)CC(=O)N2 AB73885 [0,1,0,1,0,0|2,0,0]=4 947 B12R2.202 c1cc(c2c(c1)nc(o2)S)N AB66126 [0,1,0,1,0,0|1,1,0]=4 948 B12R2.202 c1cc(c2c(c1)oc(n2)S)N AB66123 [0,1,0,1,0,0|1,1,0]=4 949 B12R2.202 c1cc2c(c(c1)Br)CC(=O)C2 PB34393 [0,1,0,1,0,0|1,0,0]=3 950 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 PB23473 [0,1,0,1,0,0|1,0,0]=3 951 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 PB17281 [0,1,0,1,0,0|1,0,0]=3 952 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 AB15885 [0,1,0,1,0,0|1,0,0]=3 953 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 AB25436 [0,1,0,1,0,0|1,0,0]=3 954 B12R2.202 c1cc2c(c(c1)Cl)nc(o2)S AB66129 [0,1,0,1,0,0|1,1,0]=4 955 B12R2.202 c1cc2c(c(c1)Cl)oc(n2)N MB01974 [0,1,0,1,0,0|2,0,0]=4 956 B12R2.202 c1cc2c(c(c1)Cl)oc(n2)S AB44916 [0,1,0,1,0,0|1,1,0]=4 957 B12R2.202 c1cc2c(c(c1)F)CC(=O)N2 AB17595 [0,1,0,1,0,0|1,0,0]=3 958 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 AB11394 [0,1,0,1,0,0|1,0,0]=3 959 B12R2.202 c1cc2c(c(c1)F)nc(o2)Cl AB70786 [0,1,0,1,0,0|2,0,0]=4 960 B12R2.202 c1cc2c(c(c1)F)oc(n2)Cl AB70781 [0,1,0,1,0,0|2,0,0]=4 961 B12R2.202 c1cc2c(c(c1)O)CC(=O)N2 AB13551 [0,1,0,1,0,0|1,0,0]=3 962 B12R2.202 c1cnc(c2c1NC(=O)C2)Br AB66493 [0,1,0,1,0,0|2,0,0]=4 963 B12R2.202 c1cnc(c2c1NC(=O)C2)Cl AB66490 [0,1,0,1,0,0|2,0,0]=4 964 B12R2.202 c1cnc(c2c1NC(=O)C2)N AB73887 [0,1,0,1,0,0|2,0,0]=4 965 B12R2.202 c1cnc2c(c1Br)CC(=O)N2 AB65563 [0,1,0,1,0,0|2,0,0]=4 966 B12R2.202 c1cnc2c(c1Cl)CC(=O)N2 PB29827 [0,1,0,1,0,0|2,0,0]=4 967 B12R2.202 c1cnc2c(c1F)CC(=O)N2 PB11030 [0,1,0,1,0,0|2,0,0]=4 968 B12R2.202 c1cnc2c(c1N)CC(=O)N2 AB73878 [0,1,0,1,0,0|2,0,0]=4 969 B8R1.8 c1cc(sc1)CCO PB32074 [1,0,0,0,1,0|1,0,1]=4 970 B8R1.8 c1coc(n1)CC=O AB57661 [1,0,0,0,1,0|2,0,0]=4 971 B8R1.8 c1csc(n1)CC=O AB57662 [1,0,0,0,1,0|2,0,0]=4 972 B8R1.8 c1cscc1CCO PB25903 [1,0,0,0,1,0|1,0,1]=4 973 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [0,0,0,0,2,0|1,0,1]=4 974 B8R1.7 CC(=O)c1ccsc1 PB17033 [0,0,0,0,2,0|2,0,0]=4 975 B8R1.7 c1c(con1)C(=O)O AB27926 [0,0,0,0,2,0|2,0,0]=4 976 B8R1.7 c1c(csn1)C(=O)O AB48586 [0,0,0,0,2,0|2,0,0]=4 977 B8R1.7 c1c(nco1)C(=O)O PB14470 [0,0,0,0,2,0|2,0,0]=4 978 B8R1.7 c1c(ncs1)C(=O)O AB06561 [0,0,0,0,2,0|2,0,0]=4 979 B8R1.7 c1c(ocn1)C(=O)O AB19293 [0,0,0,0,2,0|2,0,0]=4 980 B8R1.7 c1c(scn1)C(=O)O AB15430 [0,0,0,0,2,0|2,0,0]=4 981 B8R1.7 c1cnsc1C(=O)O AB32452 [0,0,0,0,2,0|2,0,0]=4 982 B8R1.7 c1coc(n1)C(=O)O AB19305 [0,0,0,0,2,0|2,0,0]=4 983 B8R1.7 c1cocc1C(=O)O PB30525 [0,0,0,0,2,0|1,0,0]=3 984 B8R1.7 c1conc1C(=O)O PB26232 [0,0,0,0,2,0|2,0,0]=4 985 B8R1.7 c1csc(n1)C(=O)O AB10888 [0,0,0,0,2,0|2,0,0]=4 986 B8R1.7 c1cscc1C(=O)O PB18386 [0,0,0,0,2,0|1,0,0]=3 987 B8R1.7 c1csnc1C(=O)O PB34433 [0,0,0,0,2,0|2,0,0]=4 988 B12R1.252 c1ccc(cc1)CNCC(=O)O AB04524 [0,0,0,0,0,2|0,0,0]=2 989 B12R1.252 c1ccc(cc1)COCC(=O)Cl CB10078 [0,0,0,0,0,2|1,0,0]=3 990 B12R1.252 c1ccc(cc1)COCC(=O)O CB10355 [0,0,0,0,0,2|0,0,0]=2 991 B12R1.252 c1ccc(cc1)NCCC(=O)N MB02383 [0,0,0,0,0,2|1,0,0]=3 992 B12R1.252 c1ccc(cc1)NCCC(=O)O MB00619 [0,0,0,0,0,2|0,0,0]=2 993 B12R1.252 c1ccc(cc1)OCCC(=O)O AB00261 [0,0,0,0,0,2|0,0,0]=2