0 B9R1.6 B(c1ccccc1)(Cl)Cl 32583 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 B(c1ccccc1)(O)O A14257 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 B(c1ccccc1)(O)O L19459 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 B(c1ccccn1)(O)O H53314 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 B(c1cccnc1)(O)O L15040 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 B(c1ccncc1)(O)O H52648 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 B(c1ccncc1)(O)O L15179 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.6 CC(=C)c1ccccc1 L03609 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.6 CC(=O)c1ccccc1 A12727 [0,0,0,0,0,0|0,0,0]=0 9 B9R1.6 CC(=O)c1ccccn1 A12688 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.6 CC(=O)c1cccnc1 A14246 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.6 CC(=O)c1ccncc1 A12015 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.6 CC(=O)c1ccnnc1 H66461 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 CC(=O)c1cnccn1 A15917 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 CC(C)c1ccccc1 A11864 [0,0,0,0,0,0|1,0,1]=2 15 B9R1.6 CC(C)c1cnccn1 A13891 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.6 CC(c1ccccc1)Br A16839 [0,0,0,0,0,0|1,0,1]=2 17 B9R1.6 CC(c1ccccc1)N A15711 [0,0,0,0,0,0|1,0,1]=2 18 B9R1.6 CC(c1ccccc1)O A13837 [0,0,0,0,0,0|0,0,2]=2 19 B9R1.6 CC(c1ccccc1)S H26345 [0,0,0,0,0,0|0,1,1]=2 20 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [0,0,0,0,0,0|1,0,1]=2 21 B9R1.6 CC(c1ccccn1)N H26046 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.6 CC(c1cccnc1)N H26047 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.6 CC(c1ccncc1)N H50303 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.6 CC(c1ccncc1)O H58711 [0,0,0,0,0,0|1,0,2]=3 25 B9R1.6 CN(C)c1cc[nH+]cc1 H55010 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.6 CN(C)c1ccccc1 A11916 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.6 CN(C)c1ccccn1 L02513 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.6 CN(C)c1ccncc1 A13016 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.6 CN(C)c1ccncc1 H51715 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.6 CN(c1ccccc1)N B22440 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.6 CP(C)c1ccccc1 A17975 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 CS(=O)c1ccccc1 A15009 [0,0,0,0,0,0|1,0,0]=1 33 B9R1.6 C[C@@H](c1ccccc1)N A12632 [0,0,0,0,0,0|1,0,1]=2 34 B9R1.6 C[C@@H](c1ccccc1)N L19118 [0,0,0,0,0,0|1,0,1]=2 35 B9R1.6 C[C@@H](c1ccccc1)O B21188 [0,0,0,0,0,0|0,0,2]=2 36 B9R1.6 C[C@H](c1ccccc1)N A10967 [0,0,0,0,0,0|1,0,1]=2 37 B9R1.6 C[C@H](c1ccccc1)N L19117 [0,0,0,0,0,0|1,0,1]=2 38 B9R1.6 C[C@H](c1ccccc1)O L19296 [0,0,0,0,0,0|0,0,2]=2 39 B9R1.6 C[C@H](c1ccncc1)O H51033 [0,0,0,0,0,0|1,0,2]=3 40 B9R1.6 C[SiH](C)c1ccccc1 L04558 [0,0,0,0,0,0|1,1,0]=2 41 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [0,0,0,0,0,0|1,0,0]=1 42 B9R1.6 c1c(cncn1)C(=O)O H61406 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.6 c1cc(cnc1)C(=N)N B20406 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.6 c1cc(cnc1)C(=O)N A15970 [0,0,0,0,0,0|2,0,0]=2 46 B9R1.6 c1cc(cnc1)C(=O)O A12683 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.6 c1cc(cnc1)C(=S)N A11144 [0,0,0,0,0,0|2,1,0]=3 49 B9R1.6 c1cc(cnc1)C(F)F H33189 [0,0,0,0,0,0|3,0,1]=4 50 B9R1.6 c1cc(cnc1)[N+](=O)[O-] L19627 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.6 c1cc(nnc1)C(=O)O H34341 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.6 c1ccc(cc1)C(=N)N A16002 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [0,0,0,0,0,0|1,0,0]=1 54 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [0,0,0,0,0,0|1,0,0]=1 55 B9R1.6 c1ccc(cc1)C(=O)F L11464 [0,0,0,0,0,0|1,0,0]=1 56 B9R1.6 c1ccc(cc1)C(=O)N A10501 [0,0,0,0,0,0|1,0,0]=1 57 B9R1.6 c1ccc(cc1)C(=O)O 36230 [0,0,0,0,0,0|1,0,0]=1 58 B9R1.6 c1ccc(cc1)C(=O)O A14062 [0,0,0,0,0,0|1,0,0]=1 59 B9R1.6 c1ccc(cc1)C(=O)O H25864 [0,0,0,0,0,0|1,0,0]=1 60 B9R1.6 c1ccc(cc1)C(=O)O L19473 [0,0,0,0,0,0|1,0,0]=1 61 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [0,0,0,0,0,0|1,0,0]=1 62 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [0,0,0,0,0,0|1,0,0]=1 63 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [0,0,0,0,0,0|1,0,0]=1 64 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [0,0,0,0,0,0|1,0,0]=1 65 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [0,0,0,0,0,0|1,0,0]=1 66 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [0,0,0,0,0,0|1,0,0]=1 67 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [0,0,0,0,0,0|1,0,0]=1 68 B9R1.6 c1ccc(cc1)C(=S)N A12973 [0,0,0,0,0,0|1,1,0]=2 69 B9R1.6 c1ccc(cc1)C(=S)O B24458 [0,0,0,0,0,0|1,0,1]=2 70 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [0,0,0,0,0,0|1,0,1]=2 71 B9R1.6 c1ccc(cc1)P(=O)O A17453 [0,0,0,0,0,0|2,0,0]=2 72 B9R1.6 c1ccc(cc1)P(Cl)Cl A10284 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [0,0,0,0,0,0|2,0,0]=2 74 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [0,0,0,0,0,0|2,0,0]=2 75 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [0,0,0,0,0,0|2,0,0]=2 76 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [0,0,0,0,0,0|2,0,0]=2 77 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl L04371 [0,0,0,0,0,0|2,1,0]=3 78 B9R1.6 c1ccnc(c1)C(=N)N A10942 [0,0,0,0,0,0|3,0,0]=3 79 B9R1.6 c1ccnc(c1)C(=O)N A15410 [0,0,0,0,0,0|2,0,0]=2 80 B9R1.6 c1ccnc(c1)C(=O)O A14749 [0,0,0,0,0,0|2,0,0]=2 81 B9R1.6 c1ccnc(c1)C(=S)N H51710 [0,0,0,0,0,0|2,1,0]=3 82 B9R1.6 c1ccnc(c1)C(F)F H33258 [0,0,0,0,0,0|3,0,1]=4 83 B9R1.6 c1ccnc(c1)[N+](=O)[O-] H33657 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.6 c1cnc(cn1)C(=O)Cl H50418 [0,0,0,0,0,0|3,0,0]=3 85 B9R1.6 c1cnc(cn1)C(=O)O A13363 [0,0,0,0,0,0|3,0,0]=3 86 B9R1.6 c1cnc(cn1)C(=S)N H26750 [0,0,0,0,0,0|3,1,0]=4 87 B9R1.6 c1cnc(nc1)C(=O)O H54745 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.6 c1cnc(nc1)C(=S)N H54783 [0,0,0,0,0,0|3,1,0]=4 89 B9R1.6 c1cnccc1C(=N)N A11050 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.6 c1cnccc1C(=O)Cl A10863 [0,0,0,0,0,0|2,0,0]=2 91 B9R1.6 c1cnccc1C(=O)N A18190 [0,0,0,0,0,0|2,0,0]=2 92 B9R1.6 c1cnccc1C(=O)O A18109 [0,0,0,0,0,0|2,0,0]=2 93 B9R1.6 c1cnccc1C(=S)N B25265 [0,0,0,0,0,0|2,1,0]=3 94 B9R1.6 c1cnccc1C(F)F H34075 [0,0,0,0,0,0|3,0,1]=4 95 B9R1.6 c1cncnc1C(=O)O H60022 [0,0,0,0,0,0|3,0,0]=3 96 B9R1.6 c1cnncc1C(=O)O H27246 [0,0,0,0,0,0|3,0,0]=3 97 B8R1.2 C#Cc1ccccc1 A12139 [1,0,0,0,0,0|0,0,2]=3 98 B8R1.2 C#Cc1ccccn1 L11274 [1,0,0,0,0,0|1,0,2]=4 99 B8R1.2 C#Cc1cccnc1 H53465 [1,0,0,0,0,0|1,0,2]=4 100 B8R1.2 C#Cc1ccncc1 H53455 [1,0,0,0,0,0|1,0,2]=4 101 B8R1.2 C=Cc1ccccc1 16199 [1,0,0,0,0,0|0,0,1]=2 102 B8R1.2 C=Cc1ccccc1 A18481 [1,0,0,0,0,0|0,0,1]=2 103 B8R1.2 C=Cc1ccccn1 A14056 [1,0,0,0,0,0|1,0,1]=3 104 B8R1.2 C=Cc1ccncc1 H36621 [1,0,0,0,0,0|1,0,1]=3 105 B8R1.2 C=Cc1ccncc1 L13316 [1,0,0,0,0,0|1,0,1]=3 106 B8R1.2 C=Cc1cnccn1 A14007 [1,0,0,0,0,0|2,0,1]=4 107 B8R1.2 CC[n+]1ccccc1 A17911 [1,0,0,0,0,0|1,0,1]=3 108 B8R1.2 CCc1ccccc1 L05908 [1,0,0,0,0,0|0,0,1]=2 109 B8R1.2 CCc1ccccn1 A17352 [1,0,0,0,0,0|1,0,1]=3 110 B8R1.2 CCc1cccnc1 B20318 [1,0,0,0,0,0|1,0,1]=3 111 B8R1.2 CCc1ccncc1 A12883 [1,0,0,0,0,0|1,0,1]=3 112 B8R1.2 CCc1cnccn1 A12759 [1,0,0,0,0,0|2,0,1]=4 113 B8R1.2 CNc1ccccc1 L13873 [1,0,0,0,0,0|1,0,0]=2 114 B8R1.2 CNc1ccccn1 B23589 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.2 CNc1cccnc1 H63602 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.2 CNc1ccncc1 L19626 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.2 CNc1ncccn1 H65564 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.2 COc1ccccc1 A12997 [1,0,0,0,0,0|1,0,0]=2 119 B8R1.2 COc1ccccn1 A13675 [1,0,0,0,0,0|2,0,0]=3 120 B8R1.2 COc1ccncc1 L19625 [1,0,0,0,0,0|2,0,0]=3 121 B8R1.2 COc1cnccn1 A10297 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.2 CSc1ccccc1 A14846 [1,0,0,0,0,0|1,0,0]=2 123 B8R1.2 CSc1cnccn1 B25279 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.2 C[NH2+]c1ccccc1 A17781 [1,0,0,0,0,0|1,0,0]=2 125 B8R1.2 [2H]Oc1ccccc1 H51100 [1,0,0,0,0,0|2,0,0]=3 126 B8R1.2 [C-]#Cc1ccccc1 17538 [1,0,0,0,0,0|0,0,2]=3 127 B8R1.2 c1c(cncn1)C=O H54448 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.2 c1cc(cnc1)C#N A14850 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.2 c1cc(cnc1)C=O A14607 [1,0,0,0,0,0|1,0,0]=2 130 B8R1.2 c1cc(cnc1)CCl A13279 [1,0,0,0,0,0|2,0,1]=4 131 B8R1.2 c1cc(cnc1)CN B23634 [1,0,0,0,0,0|2,0,1]=4 132 B8R1.2 c1cc(cnc1)CO A10381 [1,0,0,0,0,0|1,0,2]=4 133 B8R1.2 c1ccc(cc1)C#N 10004 [1,0,0,0,0,0|1,0,1]=3 134 B8R1.2 c1ccc(cc1)C#N 10006 [1,0,0,0,0,0|1,0,1]=3 135 B8R1.2 c1ccc(cc1)C#N A11173 [1,0,0,0,0,0|1,0,1]=3 136 B8R1.2 c1ccc(cc1)C=O 30749 [1,0,0,0,0,0|0,0,0]=1 137 B8R1.2 c1ccc(cc1)C=O A10348 [1,0,0,0,0,0|0,0,0]=1 138 B8R1.2 c1ccc(cc1)C=O L19475 [1,0,0,0,0,0|0,0,0]=1 139 B8R1.2 c1ccc(cc1)CBr A13535 [1,0,0,0,0,0|1,0,1]=3 140 B8R1.2 c1ccc(cc1)CCl A12481 [1,0,0,0,0,0|1,0,1]=3 141 B8R1.2 c1ccc(cc1)CN A10997 [1,0,0,0,0,0|1,0,1]=3 142 B8R1.2 c1ccc(cc1)CN L04102 [1,0,0,0,0,0|1,0,1]=3 143 B8R1.2 c1ccc(cc1)CN L19471 [1,0,0,0,0,0|1,0,1]=3 144 B8R1.2 c1ccc(cc1)CO 41218 [1,0,0,0,0,0|0,0,2]=3 145 B8R1.2 c1ccc(cc1)CO L03292 [1,0,0,0,0,0|0,0,2]=3 146 B8R1.2 c1ccc(cc1)CO L19592 [1,0,0,0,0,0|0,0,2]=3 147 B8R1.2 c1ccc(cc1)CS 44466 [1,0,0,0,0,0|0,1,1]=3 148 B8R1.2 c1ccc(cc1)CS B20081 [1,0,0,0,0,0|0,1,1]=3 149 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [1,0,0,0,0,0|1,0,1]=3 150 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [1,0,0,0,0,0|1,0,1]=3 151 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [1,0,0,0,0,0|1,0,1]=3 152 B8R1.2 c1ccc(cc1)I=O B24531 [1,0,0,0,0,0|1,0,0]=2 153 B8R1.2 c1ccc(cc1)NN A11246 [1,0,0,0,0,0|2,0,0]=3 154 B8R1.2 c1ccc(cc1)NN A14645 [1,0,0,0,0,0|2,0,0]=3 155 B8R1.2 c1ccc(cc1)[As]=O A14674 [1,0,0,0,0,0|1,0,0]=2 156 B8R1.2 c1ccc(cc1)[Se]Br A11906 [1,0,0,0,0,0|2,0,0]=3 157 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [1,0,0,0,0,0|2,0,0]=3 158 B8R1.2 c1ccnc(c1)C#N A12900 [1,0,0,0,0,0|2,0,1]=4 159 B8R1.2 c1ccnc(c1)C=O A11391 [1,0,0,0,0,0|1,0,0]=2 160 B8R1.2 c1ccnc(c1)CCl A10226 [1,0,0,0,0,0|2,0,1]=4 161 B8R1.2 c1ccnc(c1)CN B23208 [1,0,0,0,0,0|2,0,1]=4 162 B8R1.2 c1ccnc(c1)CO A15005 [1,0,0,0,0,0|1,0,2]=4 163 B8R1.2 c1cnccc1C#N A10286 [1,0,0,0,0,0|2,0,1]=4 164 B8R1.2 c1cnccc1C=O A10656 [1,0,0,0,0,0|1,0,0]=2 165 B8R1.2 c1cnccc1CCl A12859 [1,0,0,0,0,0|2,0,1]=4 166 B8R1.2 c1cnccc1CN L06345 [1,0,0,0,0,0|2,0,1]=4 167 B8R1.2 c1cnccc1CO A14698 [1,0,0,0,0,0|1,0,2]=4 168 B10R1.13 B(c1ccc(cc1)Br)(O)O L01565 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.13 B(c1ccc(cc1)C)(O)O A13347 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.13 B(c1ccc(cc1)Cl)(O)O A15657 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.13 B(c1ccc(cc1)F)(O)O A15991 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.13 B(c1ccc(cc1)I)(O)O H51119 [0,1,0,0,0,0|2,0,1]=4 173 B10R1.13 B(c1ccc(cc1)N)(O)O H27479 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.13 B(c1ccc(cc1)O)(O)O L15594 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [0,1,0,0,0,0|1,0,0]=2 176 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [0,1,0,0,0,0|1,0,0]=2 177 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [0,1,0,0,0,0|0,0,0]=1 178 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [0,1,0,0,0,0|0,0,0]=1 179 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [0,1,0,0,0,0|0,0,0]=1 180 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [0,1,0,0,0,0|0,0,0]=1 181 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [0,1,0,0,0,0|0,0,0]=1 182 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [0,1,0,0,0,0|0,0,0]=1 183 B10R1.13 CC(=O)c1ccc(nc1)Br H33204 [0,1,0,0,0,0|1,0,0]=2 184 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [0,1,0,0,0,0|1,0,1]=3 185 B10R1.13 CC(C)c1ccc(cc1)I B25476 [0,1,0,0,0,0|1,0,1]=3 186 B10R1.13 CC(C)c1ccc(cc1)N A14646 [0,1,0,0,0,0|1,0,1]=3 187 B10R1.13 CC(C)c1ccc(cc1)O B22620 [0,1,0,0,0,0|1,0,1]=3 188 B10R1.13 CC(C)c1ccc(cc1)S A16038 [0,1,0,0,0,0|1,0,1]=3 189 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [0,1,0,0,0,0|1,0,1]=3 190 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [0,1,0,0,0,0|1,0,1]=3 191 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [0,1,0,0,0,0|0,0,2]=3 192 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [0,1,0,0,0,0|0,0,2]=3 193 B10R1.13 CC(c1ccc(cc1)F)N L04575 [0,1,0,0,0,0|1,0,1]=3 194 B10R1.13 CC(c1ccc(cc1)F)O B22097 [0,1,0,0,0,0|0,0,2]=3 195 B10R1.13 CC(c1ccc(cc1)N)O L03341 [0,1,0,0,0,0|0,0,2]=3 196 B10R1.13 CC(c1ccc(cc1)O)N H63700 [0,1,0,0,0,0|1,0,1]=3 197 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.13 CN(C)c1ccc(cc1)N A10343 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.13 CN(C)c1ccc(cc1)N A14175 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.13 CN(C)c1ccc(cc1)N A15962 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [0,1,0,0,0,0|1,0,1]=3 202 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [0,1,0,0,0,0|1,0,1]=3 203 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [0,1,0,0,0,0|1,0,1]=3 204 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [0,1,0,0,0,0|1,0,1]=3 205 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [0,1,0,0,0,0|1,0,1]=3 206 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [0,1,0,0,0,0|1,0,1]=3 207 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [0,1,0,0,0,0|1,0,1]=3 208 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [0,1,0,0,0,0|1,0,1]=3 209 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [0,1,0,0,0,0|1,0,1]=3 210 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [0,1,0,0,0,0|0,0,0]=1 212 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [0,1,0,0,0,0|1,0,0]=2 215 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [0,1,0,0,0,0|1,1,0]=3 216 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [0,1,0,0,0,0|1,0,1]=3 217 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [0,1,0,0,0,0|0,0,2]=3 218 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.13 Cc1ccc(cc1)S(=O)[O-] A11430 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [0,1,0,0,0,0|1,0,1]=3 221 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [0,1,0,0,0,0|1,0,1]=3 222 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] A14398 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [0,1,0,0,0,0|1,0,0]=2 224 B10R1.13 Cc1ccc(cn1)C(=O)N A16039 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] H61750 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.13 Cc1cnc(cn1)C(=O)O A14011 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.13 Cc1ncc(cn1)C(=O)O H64375 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.13 c1c(cnc(n1)C(=O)O)Br H64041 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.13 c1c(ncc(n1)Br)C(=O)O H66382 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.13 c1c(ncc(n1)Cl)C(=O)O H32596 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.13 c1c(ncc(n1)N)C(=O)O H66207 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] L02425 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.13 c1c[n+](ccc1[N+](=O)[O-])[O-] B21404 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [0,1,0,0,0,0|1,0,0]=2 242 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [0,1,0,0,0,0|1,0,0]=2 245 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [0,1,0,0,0,0|1,0,0]=2 246 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [0,1,0,0,0,0|1,0,0]=2 249 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [0,1,0,0,0,0|1,0,0]=2 250 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [0,1,0,0,0,0|1,0,0]=2 251 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [0,1,0,0,0,0|1,0,0]=2 252 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [0,1,0,0,0,0|1,0,0]=2 254 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [0,1,0,0,0,0|1,0,0]=2 255 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [0,1,0,0,0,0|1,0,0]=2 256 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [0,1,0,0,0,0|1,0,0]=2 257 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [0,1,0,0,0,0|1,1,0]=3 258 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [0,1,0,0,0,0|1,1,0]=3 259 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [0,1,0,0,0,0|1,1,0]=3 260 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [0,1,0,0,0,0|1,1,0]=3 261 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [0,1,0,0,0,0|1,1,0]=3 262 B10R1.13 c1cc(ccc1C(F)F)Br H33941 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.13 c1cc(ccc1C(F)F)Cl H34035 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] A10369 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.13 c1cc(ccc1S(=O)[O-])Br B20281 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.13 c1cc(ccc1S(=O)[O-])Cl A12583 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br A17705 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A15396 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.13 c1cc(ccc1[N+](=O)[O-])F A11057 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.13 c1cc(ccc1[N+](=O)[O-])I B23950 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.13 c1cc(ccc1[N+](=O)[O-])O A14376 [0,1,0,0,0,0|2,0,0]=3 273 B10R1.13 c1cc(ccc1[N+](=O)[O-])S H59240 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.13 c1cc(ncc1Br)C(=O)Cl H61760 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.13 c1cc(ncc1Br)[N+](=O)[O-] L19748 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.13 c1cc(ncc1C(=O)Cl)Cl A12354 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.13 c1cc(ncc1C(=O)N)Cl B21922 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.13 c1cc(ncc1C(=O)N)N L06692 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.13 c1cc(ncc1C(=S)N)N H51775 [0,1,0,0,0,0|2,1,0]=4 286 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.13 c1cc(ncc1Cl)[N+](=O)[O-] H27000 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.13 c1cc(ncc1N)C(=S)N H54721 [0,1,0,0,0,0|2,1,0]=4 291 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [0,1,0,0,0,0|2,0,0]=3 292 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br L15661 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl A10709 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.13 c1cc(ncc1[N+](=O)[O-])F H64210 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.13 c1cc(ncc1[N+](=O)[O-])I H27103 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.13 c1cc(ncc1[N+](=O)[O-])N A11352 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.13 c1cc(ncc1[N+](=O)[O-])O A13921 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.15 C#CC(c1ccccc1)O L09549 [0,1,0,0,0,0|0,0,3]=4 299 B10R1.15 CC(C#N)c1ccccc1 A13636 [0,1,0,0,0,0|1,0,1]=3 300 B10R1.15 CC(C=O)c1ccccc1 B22436 [0,1,0,0,0,0|0,0,1]=2 301 B10R1.15 CC(CBr)c1ccccc1 L16267 [0,1,0,0,0,0|1,0,1]=3 302 B10R1.15 CC(CN)c1ccccc1 H36338 [0,1,0,0,0,0|1,0,1]=3 303 B10R1.15 CC(CO)c1ccccc1 B23473 [0,1,0,0,0,0|0,0,2]=3 304 B10R1.15 CCC(=O)c1ccccc1 A15140 [0,1,0,0,0,0|0,0,0]=1 305 B10R1.15 CCC(=O)c1cccnc1 L09711 [0,1,0,0,0,0|1,0,0]=2 306 B10R1.15 CCC(=O)c1ccncc1 L11552 [0,1,0,0,0,0|1,0,0]=2 307 B10R1.15 CCC(C)c1ccccc1 B22962 [0,1,0,0,0,0|1,0,1]=3 308 B10R1.15 CCC(c1ccccc1)O A10830 [0,1,0,0,0,0|0,0,2]=3 309 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [0,1,0,0,0,0|1,0,1]=3 310 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [0,1,0,0,0,0|0,0,2]=3 311 B10R1.15 CC[C@H](c1ccccc1)N L16319 [0,1,0,0,0,0|1,0,1]=3 312 B10R1.15 CC[C@H](c1ccccc1)O L05681 [0,1,0,0,0,0|0,0,2]=3 313 B10R1.15 CN(C=O)c1ccccc1 A11829 [0,1,0,0,0,0|1,0,0]=2 314 B10R1.15 CNC(=O)c1ccccc1 A18057 [0,1,0,0,0,0|0,0,0]=1 315 B10R1.15 COC(=O)c1ccccc1 44368 [0,1,0,0,0,0|0,0,0]=1 316 B10R1.15 COC(=O)c1ccccc1 A12404 [0,1,0,0,0,0|0,0,0]=1 317 B10R1.15 COC(=O)c1ccccn1 H54530 [0,1,0,0,0,0|1,0,0]=2 318 B10R1.15 COC(=O)c1cccnc1 B23908 [0,1,0,0,0,0|1,0,0]=2 319 B10R1.15 COC(=O)c1ccncc1 B23263 [0,1,0,0,0,0|1,0,0]=2 320 B10R1.15 COC(=O)c1ccnnc1 H27449 [0,1,0,0,0,0|2,0,0]=3 321 B10R1.15 COC(=O)c1cnccn1 A12028 [0,1,0,0,0,0|2,0,0]=3 322 B10R1.15 CSC(=N)c1ccccn1 H51786 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.15 CSC(=N)c1cccnc1 H51776 [0,1,0,0,0,0|2,0,0]=3 324 B10R1.15 CSC(=N)c1ccncc1 H51774 [0,1,0,0,0,0|2,0,0]=3 325 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [0,1,0,0,0,0|0,0,2]=3 326 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [0,1,0,0,0,0|0,0,2]=3 327 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [0,1,0,0,0,0|0,0,1]=2 328 B10R1.15 C\C(=N/O)\c1ccccn1 H52232 [0,1,0,0,0,0|1,0,1]=3 329 B10R1.15 C\C(=N/O)\c1cccnc1 H52154 [0,1,0,0,0,0|1,0,1]=3 330 B10R1.15 C\C(=N/O)\c1ccncc1 H52207 [0,1,0,0,0,0|1,0,1]=3 331 B10R1.15 c1cc(cnc1)C(=O)NN L02059 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.15 c1cc(cnc1)C(=O)[NH2+][O-] H61292 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.15 c1cc(cnc1)\C(=N\O)\N H51749 [0,1,0,0,0,0|2,0,1]=4 334 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [0,1,0,0,0,0|0,0,1]=2 335 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [0,1,0,0,0,0|0,0,0]=1 336 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [0,1,0,0,0,0|0,0,0]=1 337 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [0,1,0,0,0,0|0,0,0]=1 338 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [0,1,0,0,0,0|0,0,0]=1 339 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [0,1,0,0,0,0|1,0,0]=2 340 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [0,1,0,0,0,0|1,0,0]=2 341 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [0,1,0,0,0,0|0,0,3]=4 342 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [0,1,0,0,0,0|1,0,1]=3 343 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [0,1,0,0,0,0|0,0,2]=3 344 B10R1.15 c1ccc(cc1)C(CN)O H63932 [0,1,0,0,0,0|0,0,2]=3 345 B10R1.15 c1ccc(cc1)C(CO)O L04551 [0,1,0,0,0,0|0,0,2]=3 346 B10R1.15 c1ccc(cc1)N(N=O)[O-] A16551 [0,1,0,0,0,0|2,0,0]=3 347 B10R1.15 c1ccc(cc1)[C@@H](C#N)N L06355 [0,1,0,0,0,0|1,0,2]=4 348 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [0,1,0,0,0,0|0,0,2]=3 349 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [0,1,0,0,0,0|1,0,1]=3 350 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [0,1,0,0,0,0|0,0,2]=3 351 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [0,1,0,0,0,0|0,0,3]=4 352 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [0,1,0,0,0,0|0,0,2]=3 353 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [0,1,0,0,0,0|1,0,1]=3 354 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [0,1,0,0,0,0|0,0,2]=3 355 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [0,1,0,0,0,0|1,0,1]=3 356 B10R1.15 c1ccnc(c1)\C(=N\O)\N H51705 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.15 c1cnccc1C(=O)CBr H32285 [0,1,0,0,0,0|1,0,0]=2 358 B10R1.15 c1cnccc1C(=O)NN A10583 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.15 c1cnccc1\C(=N\O)\N H51722 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.28 CC(C)(C)c1ccccc1 A12378 [0,1,0,0,0,0|1,0,1]=3 361 B10R1.28 CC(C)(C)c1ccccc1 L19048 [0,1,0,0,0,0|1,0,1]=3 362 B10R1.28 CC(C)(c1ccccc1)N H26845 [0,1,0,0,0,0|1,0,1]=3 363 B10R1.28 CC(C)(c1ccccc1)O A15580 [0,1,0,0,0,0|0,0,2]=3 364 B10R1.28 CP(=O)(c1ccccc1)Cl A18349 [0,1,0,0,0,0|1,0,0]=2 365 B10R1.28 CP(=O)(c1ccccc1)O A19774 [0,1,0,0,0,0|1,0,0]=2 366 B10R1.28 CS(=O)(=O)c1ccccc1 A11727 [0,1,0,0,0,0|1,0,0]=2 367 B10R1.28 C[N+](C)(C)c1ccccc1 A14402 [0,1,0,0,0,0|2,0,0]=3 368 B10R1.28 C[N+](C)(C)c1ccccc1 A15326 [0,1,0,0,0,0|2,0,0]=3 369 B10R1.28 C[N+](C)(C)c1ccccc1 B22851 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.28 C[S@@](=N)(=O)c1ccccc1 L08562 [0,1,0,0,0,0|1,0,0]=2 371 B10R1.28 C[S@](=N)(=O)c1ccccc1 L08618 [0,1,0,0,0,0|1,0,0]=2 372 B10R1.28 C[Si](C)(C)c1ccccc1 L02876 [0,1,0,0,0,0|1,1,0]=3 373 B10R1.28 C[Si](C)(C)c1ccccn1 H26885 [0,1,0,0,0,0|2,1,0]=4 374 B10R1.28 C[Si](C)(c1ccccc1)Cl A15638 [0,1,0,0,0,0|1,1,0]=3 375 B10R1.28 C[Si](C)(c1ccccc1)O H27377 [0,1,0,0,0,0|0,1,1]=3 376 B10R1.28 C[Si](C)(c1ccccc1)[O-] H28457 [0,1,0,0,0,0|0,1,1]=3 377 B10R1.28 C[Si](c1ccccc1)(Cl)Cl B23999 [0,1,0,0,0,0|1,1,0]=3 378 B10R1.28 [B-](c1ccccc1)(F)(F)F L17568 [0,1,0,0,0,0|3,0,0]=4 379 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl H54672 [0,1,0,0,0,0|3,0,0]=4 380 B10R1.28 c1cc(cnc1)S(=O)(=O)O A13101 [0,1,0,0,0,0|3,0,0]=4 381 B10R1.28 c1ccc(cc1)C(Cl)(Cl)Cl A15652 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.28 c1ccc(cc1)C(F)(F)F B21340 [0,1,0,0,0,0|2,0,1]=4 383 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl A13777 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.28 c1ccc(cc1)P(=O)(O)O B22939 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl A10849 [0,1,0,0,0,0|2,0,0]=3 386 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl L19465 [0,1,0,0,0,0|2,0,0]=3 387 B10R1.28 c1ccc(cc1)S(=O)(=O)F L04689 [0,1,0,0,0,0|2,0,0]=3 388 B10R1.28 c1ccc(cc1)S(=O)(=O)N A10891 [0,1,0,0,0,0|2,0,0]=3 389 B10R1.28 c1ccc(cc1)S(=O)(=O)O A16148 [0,1,0,0,0,0|2,0,0]=3 390 B10R1.28 c1ccc(cc1)S(=O)(=O)O L19077 [0,1,0,0,0,0|2,0,0]=3 391 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] L12072 [0,1,0,0,0,0|2,0,0]=3 392 B10R1.28 c1ccc(cc1)[As](=O)(O)O A10625 [0,1,0,0,0,0|2,0,0]=3 393 B10R1.28 c1ccc(cc1)[Si](Cl)(Cl)Cl A16713 [0,1,0,0,0,0|2,1,0]=4 394 B10R1.61 B(c1ccccc1Br)(O)O L18581 [0,1,0,0,0,0|2,0,1]=4 395 B10R1.61 B(c1ccccc1C)(O)O B23154 [0,1,0,0,0,0|2,0,1]=4 396 B10R1.61 B(c1ccccc1Cl)(O)O B23324 [0,1,0,0,0,0|2,0,1]=4 397 B10R1.61 B(c1ccccc1F)(O)O B23103 [0,1,0,0,0,0|2,0,1]=4 398 B10R1.61 B(c1ccccc1N)(O)O L18069 [0,1,0,0,0,0|2,0,1]=4 399 B10R1.61 B(c1ccccc1O)(O)O L19400 [0,1,0,0,0,0|2,0,1]=4 400 B10R1.61 CC(=O)c1ccccc1Br A11982 [0,1,0,0,0,0|0,0,0]=1 401 B10R1.61 CC(=O)c1ccccc1Cl A15232 [0,1,0,0,0,0|0,0,0]=1 402 B10R1.61 CC(=O)c1ccccc1F A15128 [0,1,0,0,0,0|0,0,0]=1 403 B10R1.61 CC(=O)c1ccccc1I B25345 [0,1,0,0,0,0|0,0,0]=1 404 B10R1.61 CC(=O)c1ccccc1N A10895 [0,1,0,0,0,0|0,0,0]=1 405 B10R1.61 CC(=O)c1ccccc1O A12550 [0,1,0,0,0,0|0,0,0]=1 406 B10R1.61 CC(C)c1ccccc1Br L00941 [0,1,0,0,0,0|1,0,1]=3 407 B10R1.61 CC(C)c1ccccc1I L01533 [0,1,0,0,0,0|1,0,1]=3 408 B10R1.61 CC(C)c1ccccc1N A14671 [0,1,0,0,0,0|1,0,1]=3 409 B10R1.61 CC(C)c1ccccc1O A12027 [0,1,0,0,0,0|1,0,1]=3 410 B10R1.61 CC(c1ccccc1Cl)O B24800 [0,1,0,0,0,0|0,0,2]=3 411 B10R1.61 CC(c1ccccc1F)O H31900 [0,1,0,0,0,0|0,0,2]=3 412 B10R1.61 CN(C)c1ccccc1Br B25564 [0,1,0,0,0,0|2,0,0]=3 413 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [0,1,0,0,0,0|0,0,2]=3 414 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [0,1,0,0,0,0|0,0,2]=3 415 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [0,1,0,0,0,0|0,0,2]=3 416 B10R1.61 Cc1c(nccn1)C(=O)C A15054 [0,1,0,0,0,0|2,0,0]=3 417 B10R1.61 Cc1ccccc1C(=C)C H26073 [0,1,0,0,0,0|1,0,0]=2 418 B10R1.61 Cc1ccccc1C(=O)C A11695 [0,1,0,0,0,0|0,0,0]=1 419 B10R1.61 Cc1ccccc1C(=O)Cl A10775 [0,1,0,0,0,0|1,0,0]=2 420 B10R1.61 Cc1ccccc1C(=O)O A13856 [0,1,0,0,0,0|1,0,0]=2 421 B10R1.61 Cc1ccccc1C(=S)N H51790 [0,1,0,0,0,0|1,1,0]=3 422 B10R1.61 Cc1ccccc1C(C)O L08065 [0,1,0,0,0,0|0,0,2]=3 423 B10R1.61 Cc1ccccc1[N+](=O)[O-] A13446 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.61 Cc1cccnc1C(=S)N H51794 [0,1,0,0,0,0|2,1,0]=4 425 B10R1.61 Cc1ccncc1C(=O)C H33380 [0,1,0,0,0,0|1,0,0]=2 426 B10R1.61 Cc1ccncc1C(=O)O B22367 [0,1,0,0,0,0|2,0,0]=3 427 B10R1.61 Cc1ccncc1[N+](=O)[O-] H29144 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.61 Cc1ccncc1[N+](=O)[O-] L07398 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.61 c1cc(c(nc1)Br)C(=O)O H30239 [0,1,0,0,0,0|2,0,0]=3 430 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] L20019 [0,1,0,0,0,0|3,0,0]=4 431 B10R1.61 c1cc(c(nc1)C(=O)O)Br H64258 [0,1,0,0,0,0|2,0,0]=3 432 B10R1.61 c1cc(c(nc1)C(=O)O)Cl H26024 [0,1,0,0,0,0|2,0,0]=3 433 B10R1.61 c1cc(c(nc1)C(=O)O)F H61458 [0,1,0,0,0,0|2,0,0]=3 434 B10R1.61 c1cc(c(nc1)C(=O)O)N H64861 [0,1,0,0,0,0|2,0,0]=3 435 B10R1.61 c1cc(c(nc1)C(=O)O)O L07489 [0,1,0,0,0,0|2,0,0]=3 436 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl A11048 [0,1,0,0,0,0|2,0,0]=3 437 B10R1.61 c1cc(c(nc1)Cl)C(=O)N A12090 [0,1,0,0,0,0|2,0,0]=3 438 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A17082 [0,1,0,0,0,0|2,0,0]=3 439 B10R1.61 c1cc(c(nc1)Cl)C(=S)N H52252 [0,1,0,0,0,0|2,1,0]=4 440 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] A12161 [0,1,0,0,0,0|3,0,0]=4 441 B10R1.61 c1cc(c(nc1)F)C(=O)O L19442 [0,1,0,0,0,0|2,0,0]=3 442 B10R1.61 c1cc(c(nc1)F)[N+](=O)[O-] H61260 [0,1,0,0,0,0|3,0,0]=4 443 B10R1.61 c1cc(c(nc1)N)C(=O)N H66202 [0,1,0,0,0,0|2,0,0]=3 444 B10R1.61 c1cc(c(nc1)N)C(=O)O A11195 [0,1,0,0,0,0|2,0,0]=3 445 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] A14368 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.61 c1cc(c(nc1)O)C(=O)O A15986 [0,1,0,0,0,0|2,0,0]=3 447 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] A17768 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.61 c1cc(c(nc1)S)C(=O)O A14683 [0,1,0,0,0,0|2,0,0]=3 449 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Br L19523 [0,1,0,0,0,0|3,0,0]=4 450 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Cl L19863 [0,1,0,0,0,0|3,0,0]=4 451 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])F H33813 [0,1,0,0,0,0|3,0,0]=4 452 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])N L19619 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O A14887 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br A14520 [0,1,0,0,0,0|1,0,0]=2 455 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl A14785 [0,1,0,0,0,0|1,0,0]=2 456 B10R1.61 c1ccc(c(c1)C(=O)Cl)F A16096 [0,1,0,0,0,0|1,0,0]=2 457 B10R1.61 c1ccc(c(c1)C(=O)Cl)I A13558 [0,1,0,0,0,0|1,0,0]=2 458 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [0,1,0,0,0,0|1,0,0]=2 459 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [0,1,0,0,0,0|1,0,0]=2 460 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [0,1,0,0,0,0|1,0,0]=2 461 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [0,1,0,0,0,0|1,0,0]=2 462 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [0,1,0,0,0,0|1,0,0]=2 463 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [0,1,0,0,0,0|1,0,0]=2 464 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [0,1,0,0,0,0|1,0,0]=2 465 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [0,1,0,0,0,0|1,0,0]=2 466 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [0,1,0,0,0,0|1,0,0]=2 467 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [0,1,0,0,0,0|1,0,0]=2 468 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [0,1,0,0,0,0|1,0,0]=2 469 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [0,1,0,0,0,0|1,0,0]=2 470 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [0,1,0,0,0,0|1,0,0]=2 471 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 18585 [0,1,0,0,0,0|1,0,0]=2 472 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39356 [0,1,0,0,0,0|1,0,0]=2 473 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39379 [0,1,0,0,0,0|1,0,0]=2 474 B10R1.61 c1ccc(c(c1)C(=O)[O-])O A17056 [0,1,0,0,0,0|1,0,0]=2 475 B10R1.61 c1ccc(c(c1)C(=S)N)Br H55238 [0,1,0,0,0,0|1,1,0]=3 476 B10R1.61 c1ccc(c(c1)C(=S)N)Cl L11180 [0,1,0,0,0,0|1,1,0]=3 477 B10R1.61 c1ccc(c(c1)C(=S)N)N H51809 [0,1,0,0,0,0|1,1,0]=3 478 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F L03984 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.61 c1ccc(c(c1)C(F)F)F H33688 [0,1,0,0,0,0|2,0,1]=4 480 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] A11055 [0,1,0,0,0,0|2,0,0]=3 481 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br A11686 [0,1,0,0,0,0|2,0,0]=3 482 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl A15403 [0,1,0,0,0,0|2,0,0]=3 483 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F A13852 [0,1,0,0,0,0|2,0,0]=3 484 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I A12100 [0,1,0,0,0,0|2,0,0]=3 485 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A12333 [0,1,0,0,0,0|2,0,0]=3 486 B10R1.61 c1cnc(c(n1)C(=O)N)N H63553 [0,1,0,0,0,0|3,0,0]=4 487 B10R1.61 c1cnc(c(n1)C(=O)N)O H28250 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.61 c1cnc(c(n1)C(=O)O)N B23707 [0,1,0,0,0,0|3,0,0]=4 489 B10R1.61 c1cncc(c1Br)C(=O)O H66322 [0,1,0,0,0,0|2,0,0]=3 490 B10R1.61 c1cncc(c1C(=O)O)Br H31047 [0,1,0,0,0,0|2,0,0]=3 491 B10R1.61 c1cncc(c1C(=O)O)Cl H63669 [0,1,0,0,0,0|2,0,0]=3 492 B10R1.61 c1cncc(c1C(=O)O)F L20042 [0,1,0,0,0,0|2,0,0]=3 493 B10R1.61 c1cncc(c1C(=O)O)N H28714 [0,1,0,0,0,0|2,0,0]=3 494 B10R1.61 c1cncc(c1C(=O)O)O H63465 [0,1,0,0,0,0|2,0,0]=3 495 B10R1.61 c1cncc(c1Cl)C(=O)O L20029 [0,1,0,0,0,0|2,0,0]=3 496 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] L19364 [0,1,0,0,0,0|3,0,0]=4 497 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] L19728 [0,1,0,0,0,0|3,0,0]=4 498 B10R1.61 c1cncc(c1N)C(=O)O H50032 [0,1,0,0,0,0|2,0,0]=3 499 B10R1.61 c1cncc(c1N)[N+](=O)[O-] L19725 [0,1,0,0,0,0|3,0,0]=4 500 B10R1.61 c1cncc(c1O)C(=O)O H32282 [0,1,0,0,0,0|2,0,0]=3 501 B10R1.61 c1cncc(c1O)[N+](=O)[O-] B20963 [0,1,0,0,0,0|3,0,0]=4 502 B10R1.113 B(c1cccc(c1)Br)(O)O L16354 [0,1,0,0,0,0|2,0,1]=4 503 B10R1.113 B(c1cccc(c1)C)(O)O B23025 [0,1,0,0,0,0|2,0,1]=4 504 B10R1.113 B(c1cccc(c1)Cl)(O)O B24444 [0,1,0,0,0,0|2,0,1]=4 505 B10R1.113 B(c1cccc(c1)F)(O)O B21247 [0,1,0,0,0,0|2,0,1]=4 506 B10R1.113 B(c1cccc(c1)I)(O)O H51112 [0,1,0,0,0,0|2,0,1]=4 507 B10R1.113 B(c1cccc(c1)N)(O)O A17240 [0,1,0,0,0,0|2,0,1]=4 508 B10R1.113 B(c1cccc(c1)N)(O)O A18189 [0,1,0,0,0,0|2,0,1]=4 509 B10R1.113 B(c1cccc(c1)N)(O)O H52595 [0,1,0,0,0,0|2,0,1]=4 510 B10R1.113 B(c1cccc(c1)N)(O)O H52909 [0,1,0,0,0,0|2,0,1]=4 511 B10R1.113 B(c1cccc(c1)O)(O)O L19061 [0,1,0,0,0,0|2,0,1]=4 512 B10R1.113 CC(=O)c1cc(ccn1)Br H66562 [0,1,0,0,0,0|1,0,0]=2 513 B10R1.113 CC(=O)c1cc(cnc1)Br L19362 [0,1,0,0,0,0|1,0,0]=2 514 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [0,1,0,0,0,0|0,0,0]=1 515 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [0,1,0,0,0,0|0,0,0]=1 516 B10R1.113 CC(=O)c1cccc(c1)F A11733 [0,1,0,0,0,0|0,0,0]=1 517 B10R1.113 CC(=O)c1cccc(c1)N A12503 [0,1,0,0,0,0|0,0,0]=1 518 B10R1.113 CC(=O)c1cccc(c1)O A12547 [0,1,0,0,0,0|0,0,0]=1 519 B10R1.113 CC(=O)c1cccc(n1)Br H55981 [0,1,0,0,0,0|1,0,0]=2 520 B10R1.113 CC(=O)c1ccnc(c1)Cl H33619 [0,1,0,0,0,0|1,0,0]=2 521 B10R1.113 CC(C)c1cccc(c1)Br L17654 [0,1,0,0,0,0|1,0,1]=3 522 B10R1.113 CC(c1cccc(c1)Cl)O L04783 [0,1,0,0,0,0|0,0,2]=3 523 B10R1.113 CC(c1cccc(c1)F)O B23144 [0,1,0,0,0,0|0,0,2]=3 524 B10R1.113 CC(c1cccc(c1)N)O L06513 [0,1,0,0,0,0|0,0,2]=3 525 B10R1.113 CN(C)c1cccc(c1)Br L17279 [0,1,0,0,0,0|2,0,0]=3 526 B10R1.113 CN(C)c1cccc(c1)Cl L08563 [0,1,0,0,0,0|2,0,0]=3 527 B10R1.113 CN(C)c1cccc(c1)N L00403 [0,1,0,0,0,0|2,0,0]=3 528 B10R1.113 CN(C)c1cccc(c1)O B23067 [0,1,0,0,0,0|2,0,0]=3 529 B10R1.113 C[C@@H](c1cccc(c1)Br)N H26998 [0,1,0,0,0,0|1,0,1]=3 530 B10R1.113 C[C@@H](c1cccc(c1)Cl)N H27637 [0,1,0,0,0,0|1,0,1]=3 531 B10R1.113 C[C@H](c1cccc(c1)Br)N H27636 [0,1,0,0,0,0|1,0,1]=3 532 B10R1.113 C[C@H](c1cccc(c1)Cl)N H27461 [0,1,0,0,0,0|1,0,1]=3 533 B10R1.113 Cc1cc(ccn1)C(=O)O H57969 [0,1,0,0,0,0|2,0,0]=3 534 B10R1.113 Cc1cc(cnc1)C(=O)N L18970 [0,1,0,0,0,0|2,0,0]=3 535 B10R1.113 Cc1cc(cnc1)C(=O)O L16370 [0,1,0,0,0,0|2,0,0]=3 536 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] H31683 [0,1,0,0,0,0|3,0,0]=4 537 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [0,1,0,0,0,0|1,0,0]=2 538 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [0,1,0,0,0,0|0,0,0]=1 539 B10R1.113 Cc1cccc(c1)C(=O)Cl B23914 [0,1,0,0,0,0|1,0,0]=2 540 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [0,1,0,0,0,0|1,0,0]=2 541 B10R1.113 Cc1cccc(c1)C(=O)O A13785 [0,1,0,0,0,0|1,0,0]=2 542 B10R1.113 Cc1cccc(c1)C(=S)N H26468 [0,1,0,0,0,0|1,1,0]=3 543 B10R1.113 Cc1cccc(c1)C(C)O H32784 [0,1,0,0,0,0|0,0,2]=3 544 B10R1.113 Cc1cccc(c1)N(C)C A13326 [0,1,0,0,0,0|2,0,0]=3 545 B10R1.113 Cc1cccc(n1)C(=O)C H65997 [0,1,0,0,0,0|1,0,0]=2 546 B10R1.113 Cc1cccc(n1)C(=O)O H26302 [0,1,0,0,0,0|2,0,0]=3 547 B10R1.113 c1c(cncc1Br)C(=O)Cl L15510 [0,1,0,0,0,0|2,0,0]=3 548 B10R1.113 c1c(cncc1Br)C(=O)N A17840 [0,1,0,0,0,0|2,0,0]=3 549 B10R1.113 c1c(cncc1Br)C(=O)O A13589 [0,1,0,0,0,0|2,0,0]=3 550 B10R1.113 c1c(cncc1Br)[N+](=O)[O-] H33531 [0,1,0,0,0,0|3,0,0]=4 551 B10R1.113 c1c(cncc1Cl)C(=O)O H26804 [0,1,0,0,0,0|2,0,0]=3 552 B10R1.113 c1c(cncc1F)C(=O)O H61162 [0,1,0,0,0,0|2,0,0]=3 553 B10R1.113 c1c(cncc1N)C(=O)O H60192 [0,1,0,0,0,0|2,0,0]=3 554 B10R1.113 c1c(cncc1O)C(=O)O H30725 [0,1,0,0,0,0|2,0,0]=3 555 B10R1.113 c1c(nc(cn1)Cl)C(=O)O H66404 [0,1,0,0,0,0|3,0,0]=4 556 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl A15256 [0,1,0,0,0,0|1,0,0]=2 557 B10R1.113 c1cc(cc(c1)Br)C(=O)N H64672 [0,1,0,0,0,0|1,0,0]=2 558 B10R1.113 c1cc(cc(c1)Br)C(=O)O A12606 [0,1,0,0,0,0|1,0,0]=2 559 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A13509 [0,1,0,0,0,0|1,0,0]=2 560 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A11389 [0,1,0,0,0,0|1,0,0]=2 561 B10R1.113 c1cc(cc(c1)Cl)C(=O)O A10876 [0,1,0,0,0,0|1,0,0]=2 562 B10R1.113 c1cc(cc(c1)Cl)C(=S)N H26423 [0,1,0,0,0,0|1,1,0]=3 563 B10R1.113 c1cc(cc(c1)Cl)C(Cl)Cl B21973 [0,1,0,0,0,0|2,0,1]=4 564 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] B23423 [0,1,0,0,0,0|2,0,0]=3 565 B10R1.113 c1cc(cc(c1)F)C(=O)Cl L09152 [0,1,0,0,0,0|1,0,0]=2 566 B10R1.113 c1cc(cc(c1)F)C(=O)N L06701 [0,1,0,0,0,0|1,0,0]=2 567 B10R1.113 c1cc(cc(c1)F)C(=O)O A16511 [0,1,0,0,0,0|1,0,0]=2 568 B10R1.113 c1cc(cc(c1)F)C(Cl)Cl L04121 [0,1,0,0,0,0|2,0,1]=4 569 B10R1.113 c1cc(cc(c1)F)[N+](=O)[O-] B25553 [0,1,0,0,0,0|2,0,0]=3 570 B10R1.113 c1cc(cc(c1)I)C(=O)Cl L17451 [0,1,0,0,0,0|1,0,0]=2 571 B10R1.113 c1cc(cc(c1)I)C(=O)O A11515 [0,1,0,0,0,0|1,0,0]=2 572 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] B21605 [0,1,0,0,0,0|2,0,0]=3 573 B10R1.113 c1cc(cc(c1)N)C(=O)N A10793 [0,1,0,0,0,0|1,0,0]=2 574 B10R1.113 c1cc(cc(c1)N)C(=O)O A19540 [0,1,0,0,0,0|1,0,0]=2 575 B10R1.113 c1cc(cc(c1)N)C(=O)O L08407 [0,1,0,0,0,0|1,0,0]=2 576 B10R1.113 c1cc(cc(c1)N)C(=S)N H51806 [0,1,0,0,0,0|1,1,0]=3 577 B10R1.113 c1cc(cc(c1)N)C(F)F H34188 [0,1,0,0,0,0|2,0,1]=4 578 B10R1.113 c1cc(cc(c1)O)C(=O)O A13628 [0,1,0,0,0,0|1,0,0]=2 579 B10R1.113 c1cc(cc(c1)O)C(=S)N H52236 [0,1,0,0,0,0|1,1,0]=3 580 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] A15312 [0,1,0,0,0,0|2,0,0]=3 581 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N A10629 [0,1,0,0,0,0|2,0,0]=3 582 B10R1.113 c1cc(nc(c1)Br)C(=O)N H31811 [0,1,0,0,0,0|2,0,0]=3 583 B10R1.113 c1cc(nc(c1)Br)C(=O)O H30553 [0,1,0,0,0,0|2,0,0]=3 584 B10R1.113 c1cc(nc(c1)Cl)C(=O)N H33547 [0,1,0,0,0,0|2,0,0]=3 585 B10R1.113 c1cc(nc(c1)Cl)C(=O)O L19448 [0,1,0,0,0,0|2,0,0]=3 586 B10R1.113 c1cc(nc(c1)F)C(=O)N H32911 [0,1,0,0,0,0|2,0,0]=3 587 B10R1.113 c1cc(nc(c1)F)C(=O)O H26106 [0,1,0,0,0,0|2,0,0]=3 588 B10R1.113 c1cc(nc(c1)N)C(=O)O H31861 [0,1,0,0,0,0|2,0,0]=3 589 B10R1.113 c1cnc(cc1Br)C(=O)O H64244 [0,1,0,0,0,0|2,0,0]=3 590 B10R1.113 c1cnc(cc1C(=O)N)Br L19854 [0,1,0,0,0,0|2,0,0]=3 591 B10R1.113 c1cnc(cc1C(=O)N)Cl H25769 [0,1,0,0,0,0|2,0,0]=3 592 B10R1.113 c1cnc(cc1C(=O)N)I H31468 [0,1,0,0,0,0|2,0,0]=3 593 B10R1.113 c1cnc(cc1C(=O)N)N L19843 [0,1,0,0,0,0|2,0,0]=3 594 B10R1.113 c1cnc(cc1C(=O)O)Br L19855 [0,1,0,0,0,0|2,0,0]=3 595 B10R1.113 c1cnc(cc1C(=O)O)Cl L19449 [0,1,0,0,0,0|2,0,0]=3 596 B10R1.113 c1cnc(cc1C(=O)O)F 44755 [0,1,0,0,0,0|2,0,0]=3 597 B10R1.113 c1cnc(cc1C(=O)O)I H31002 [0,1,0,0,0,0|2,0,0]=3 598 B10R1.113 c1cnc(cc1C(=O)O)N L19845 [0,1,0,0,0,0|2,0,0]=3 599 B10R1.113 c1cnc(cc1C(=O)O)O H64241 [0,1,0,0,0,0|2,0,0]=3 600 B10R1.113 c1cnc(cc1C(=S)N)Cl H52263 [0,1,0,0,0,0|2,1,0]=4 601 B10R1.113 c1cnc(cc1Cl)C(=O)N H65265 [0,1,0,0,0,0|2,0,0]=3 602 B10R1.113 c1cnc(cc1Cl)C(=O)O H32301 [0,1,0,0,0,0|2,0,0]=3 603 B10R1.113 c1cnc(cc1O)C(=O)O H34262 [0,1,0,0,0,0|2,0,0]=3 604 B10R1.113 c1cnc(cc1[N+](=O)[O-])Br H32817 [0,1,0,0,0,0|3,0,0]=4 605 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl L17699 [0,1,0,0,0,0|3,0,0]=4 606 B10R1.113 c1cnc(cc1[N+](=O)[O-])O H66852 [0,1,0,0,0,0|3,0,0]=4 607 B10R2.6 c1ccc(cc1)C2CO2 L07821 [0,0,0,1,0,0|0,0,2]=3 608 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [0,0,0,1,0,0|0,0,2]=3 609 B8R1.7 CC(=C1C=CC=C1)C B21826 [0,0,0,0,1,0|1,0,0]=2 610 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [0,0,0,0,1,0|1,0,0]=2 611 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [0,0,0,0,1,0|1,0,0]=2 612 B8R1.7 CC(=O)c1ccco1 A14938 [0,0,0,0,1,0|1,0,0]=2 613 B8R1.7 CC(=O)c1cccs1 A13062 [0,0,0,0,1,0|1,0,0]=2 614 B8R1.7 CC(=O)c1ccoc1 H34071 [0,0,0,0,1,0|1,0,0]=2 615 B8R1.7 CC(=O)c1ccsc1 A11078 [0,0,0,0,1,0|1,0,0]=2 616 B8R1.7 CC(=O)c1nccs1 A11266 [0,0,0,0,1,0|2,0,0]=3 617 B8R1.7 CC(=O)n1ccnc1 L00137 [0,0,0,0,1,0|2,0,0]=3 618 B8R1.7 CC(C1=CCC=C1)O L19681 [0,0,0,0,1,0|0,0,3]=4 619 B8R1.7 CC(c1cccs1)N H26052 [0,0,0,0,1,0|2,0,1]=4 620 B8R1.7 C[C@@H](C1=CCC=C1)O L19683 [0,0,0,0,1,0|0,0,3]=4 621 B8R1.7 C[C@H](C1=CCC=C1)O L19682 [0,0,0,0,1,0|0,0,3]=4 622 B8R1.7 C[C@H](c1cccs1)O H26936 [0,0,0,0,1,0|1,0,2]=4 623 B8R1.7 c1c(cn[nH]1)C(=O)O H25783 [0,0,0,0,1,0|3,0,0]=4 624 B8R1.7 c1c(nc[nH]1)C(=O)O H56862 [0,0,0,0,1,0|3,0,0]=4 625 B8R1.7 c1c(ocn1)C(=O)O H30179 [0,0,0,0,1,0|3,0,0]=4 626 B8R1.7 c1c[nH]cc1C(=O)O H55383 [0,0,0,0,1,0|2,0,0]=3 627 B8R1.7 c1c[nH]nc1C(=O)O B25732 [0,0,0,0,1,0|3,0,0]=4 628 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [0,0,0,0,1,0|2,0,0]=3 629 B8R1.7 c1cc([nH]c1)C(=S)N H58042 [0,0,0,0,1,0|2,1,0]=4 630 B8R1.7 c1cc(oc1)C(=O)Cl L06960 [0,0,0,0,1,0|2,0,0]=3 631 B8R1.7 c1cc(oc1)C(=O)N B25075 [0,0,0,0,1,0|2,0,0]=3 632 B8R1.7 c1cc(oc1)C(=O)O A11454 [0,0,0,0,1,0|2,0,0]=3 633 B8R1.7 c1cc(oc1)C(=S)N H51831 [0,0,0,0,1,0|2,1,0]=4 634 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [0,0,0,0,1,0|2,0,0]=3 635 B8R1.7 c1cc(sc1)C(=O)N A15219 [0,0,0,0,1,0|2,0,0]=3 636 B8R1.7 c1cc(sc1)C(=O)O A12514 [0,0,0,0,1,0|2,0,0]=3 637 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [0,0,0,0,1,0|2,0,0]=3 638 B8R1.7 c1cc(sc1)C(=S)N B25225 [0,0,0,0,1,0|2,1,0]=4 639 B8R1.7 c1cc(sc1)[N+](=O)[O-] A17464 [0,0,0,0,1,0|3,0,0]=4 640 B8R1.7 c1cnoc1C(=O)Cl A14625 [0,0,0,0,1,0|3,0,0]=4 641 B8R1.7 c1cnoc1C(=O)O A13739 [0,0,0,0,1,0|3,0,0]=4 642 B8R1.7 c1cocc1C(=O)O L11629 [0,0,0,0,1,0|2,0,0]=3 643 B8R1.7 c1conc1C(=O)O H58438 [0,0,0,0,1,0|3,0,0]=4 644 B8R1.7 c1csc(n1)C(=O)O H63620 [0,0,0,0,1,0|3,0,0]=4 645 B8R1.7 c1cscc1C(=O)Cl H61428 [0,0,0,0,1,0|2,0,0]=3 646 B8R1.7 c1cscc1C(=O)O A15712 [0,0,0,0,1,0|2,0,0]=3 647 B8R1.7 c1cscc1C(=S)N H51830 [0,0,0,0,1,0|2,1,0]=4 648 B10R1.18 CC(=C)Cc1ccccc1 B20370 [0,0,0,0,0,1|1,0,0]=2 649 B10R1.18 CC(=O)C[n+]1ccccc1 A16015 [0,0,0,0,0,1|1,0,0]=2 650 B10R1.18 CC(=O)C[n+]1ccccc1 B24490 [0,0,0,0,0,1|1,0,0]=2 651 B10R1.18 CC(=O)Cc1ccncc1 L18667 [0,0,0,0,0,1|1,0,0]=2 652 B10R1.18 CC(=O)Nc1ccccc1 A14361 [0,0,0,0,0,1|0,0,0]=1 653 B10R1.18 CC(=O)Oc1ccccc1 B22561 [0,0,0,0,0,1|0,0,0]=1 654 B10R1.18 CC(=O)Oc1ccccc1 L19598 [0,0,0,0,0,1|0,0,0]=1 655 B10R1.18 CC(=O)Sc1ccccc1 H55175 [0,0,0,0,0,1|0,0,0]=1 656 B10R1.18 CC(C)Cc1ccccn1 B22349 [0,0,0,0,0,1|2,0,1]=4 657 B10R1.18 CC(C)Cc1cccnc1 B22080 [0,0,0,0,0,1|2,0,1]=4 658 B10R1.18 CC(C)Nc1ccccc1 L10646 [0,0,0,0,0,1|1,0,1]=3 659 B10R1.18 CC(C)Sc1ccccc1 A17124 [0,0,0,0,0,1|1,0,1]=3 660 B10R1.18 CN(C)Cc1ccccc1 A12191 [0,0,0,0,0,1|2,0,0]=3 661 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [0,0,0,0,0,1|1,1,0]=3 662 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [0,0,0,0,0,1|2,0,0]=3 663 B10R1.18 c1cc(cnc1)CC(=O)O A15599 [0,0,0,0,0,1|2,0,0]=3 664 B10R1.18 c1cc(cnc1)CC(=S)N H58040 [0,0,0,0,0,1|2,1,0]=4 665 B10R1.18 c1cc(cnc1)NC(=S)N L01284 [0,0,0,0,0,1|2,1,0]=4 666 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [0,0,0,0,0,1|1,0,0]=2 667 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [0,0,0,0,0,1|1,0,0]=2 668 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [0,0,0,0,0,1|1,0,0]=2 669 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [0,0,0,0,0,1|1,1,0]=3 670 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [0,0,0,0,0,1|1,0,0]=2 671 B10R1.18 c1ccc(cc1)NC(=S)N L06690 [0,0,0,0,0,1|1,1,0]=3 672 B10R1.18 c1ccc(cc1)OC(=O)Cl A12618 [0,0,0,0,0,1|1,0,0]=2 673 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [0,0,0,0,0,1|1,0,0]=2 674 B10R1.18 c1ccc(cc1)OC(=S)Cl L00838 [0,0,0,0,0,1|1,1,0]=3 675 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [0,0,0,0,0,1|2,0,0]=3 676 B10R1.18 c1ccnc(c1)CC(=O)O L04870 [0,0,0,0,0,1|2,0,0]=3 677 B10R1.18 c1ccnc(c1)CC(=S)N H58993 [0,0,0,0,0,1|2,1,0]=4 678 B10R1.18 c1ccnc(c1)NC(=S)N L11465 [0,0,0,0,0,1|2,1,0]=4 679 B10R1.18 c1cnccc1CC(=O)N B24734 [0,0,0,0,0,1|2,0,0]=3 680 B10R1.18 c1cnccc1CC(=O)O A14348 [0,0,0,0,0,1|2,0,0]=3 681 B10R1.18 c1cnccc1NC(=S)N L09925 [0,0,0,0,0,1|2,1,0]=4 682 B7R0.4 CC(=O)O\C=C\C=C A12519 [1,0,1,0,0,0|1,0,0]=3 683 B7R0.4 C\C=C\C=C\C(=O)O A16196 [1,0,1,0,0,0|1,0,1]=4 684 B7R0.4 C\C=C\C=C\C(=O)[O-] A12844 [1,0,1,0,0,0|1,0,1]=4 685 B7R1.3 CC1=CCC=CC1 B20298 [2,0,0,0,0,0|0,0,2]=4 686 B7R1.3 Cc1ccccc1 16371 [2,0,0,0,0,0|0,0,0]=2 687 B7R1.3 Cc1ccccc1 19376 [2,0,0,0,0,0|0,0,0]=2 688 B7R1.3 Cc1ccccc1 19399 [2,0,0,0,0,0|0,0,0]=2 689 B7R1.3 Cc1ccccc1 19402 [2,0,0,0,0,0|0,0,0]=2 690 B7R1.3 Cc1ccccc1 22903 [2,0,0,0,0,0|0,0,0]=2 691 B7R1.3 Cc1ccccc1 31755 [2,0,0,0,0,0|0,0,0]=2 692 B7R1.3 Cc1ccccc1 41464 [2,0,0,0,0,0|0,0,0]=2 693 B7R1.3 Cc1ccccc1 41841 [2,0,0,0,0,0|0,0,0]=2 694 B7R1.3 Cc1ccccc1 43061 [2,0,0,0,0,0|0,0,0]=2 695 B7R1.3 Cc1ccccc1 47136 [2,0,0,0,0,0|0,0,0]=2 696 B7R1.3 Cc1ccccc1 L10967 [2,0,0,0,0,0|0,0,0]=2 697 B7R1.3 Cc1ccccc1 L13317 [2,0,0,0,0,0|0,0,0]=2 698 B7R1.3 Cc1ccccn1 A10847 [2,0,0,0,0,0|1,0,0]=3 699 B7R1.3 Cc1cccnc1 A14012 [2,0,0,0,0,0|1,0,0]=3 700 B7R1.3 Cc1cccnn1 A14097 [2,0,0,0,0,0|2,0,0]=4 701 B7R1.3 Cc1ccncc1 A15595 [2,0,0,0,0,0|1,0,0]=3 702 B7R1.3 Cc1ccncn1 A13170 [2,0,0,0,0,0|2,0,0]=4 703 B7R1.3 Cc1ccnnc1 L09749 [2,0,0,0,0,0|2,0,0]=4 704 B7R1.3 Cc1cnccn1 A14146 [2,0,0,0,0,0|2,0,0]=4 705 B7R1.3 Cc1cncnc1 L19638 [2,0,0,0,0,0|2,0,0]=4 706 B7R1.3 [Li]c1ccccc1 45770 [2,0,0,0,0,0|1,0,0]=3 707 B7R1.3 [Li]c1ccccc1 47286 [2,0,0,0,0,0|1,0,0]=3 708 B7R1.3 c1c[nH]cnc1=O H64690 [2,0,0,0,0,0|2,0,0]=4 709 B7R1.3 c1cc(=O)[nH]nc1 H55334 [2,0,0,0,0,0|2,0,0]=4 710 B7R1.3 c1cc(cnc1)Br A12894 [2,0,0,0,0,0|2,0,0]=4 711 B7R1.3 c1cc(cnc1)Cl B24316 [2,0,0,0,0,0|2,0,0]=4 712 B7R1.3 c1cc(cnc1)F A11693 [2,0,0,0,0,0|2,0,0]=4 713 B7R1.3 c1cc(cnc1)I B23225 [2,0,0,0,0,0|2,0,0]=4 714 B7R1.3 c1cc(cnc1)N A13216 [2,0,0,0,0,0|2,0,0]=4 715 B7R1.3 c1cc(cnc1)O A13910 [2,0,0,0,0,0|1,0,1]=4 716 B7R1.3 c1cc(cnc1)[Zn+] H58498 [2,0,0,0,0,0|2,0,0]=4 717 B7R1.3 c1cc[n+](cc1)N B25703 [2,0,0,0,0,0|2,0,0]=4 718 B7R1.3 c1cc[n+](cc1)[O-] A10419 [2,0,0,0,0,0|1,0,1]=4 719 B7R1.3 c1ccc(cc1)Br A11407 [2,0,0,0,0,0|1,0,0]=3 720 B7R1.3 c1ccc(cc1)Cl 22921 [2,0,0,0,0,0|1,0,0]=3 721 B7R1.3 c1ccc(cc1)Cl 22922 [2,0,0,0,0,0|1,0,0]=3 722 B7R1.3 c1ccc(cc1)Cl 36401 [2,0,0,0,0,0|1,0,0]=3 723 B7R1.3 c1ccc(cc1)Cl B21052 [2,0,0,0,0,0|1,0,0]=3 724 B7R1.3 c1ccc(cc1)Cl H27688 [2,0,0,0,0,0|1,0,0]=3 725 B7R1.3 c1ccc(cc1)F A14384 [2,0,0,0,0,0|1,0,0]=3 726 B7R1.3 c1ccc(cc1)I A12788 [2,0,0,0,0,0|1,0,0]=3 727 B7R1.3 c1ccc(cc1)N 36238 [2,0,0,0,0,0|1,0,0]=3 728 B7R1.3 c1ccc(cc1)N A13024 [2,0,0,0,0,0|1,0,0]=3 729 B7R1.3 c1ccc(cc1)N A14443 [2,0,0,0,0,0|1,0,0]=3 730 B7R1.3 c1ccc(cc1)N A15563 [2,0,0,0,0,0|1,0,0]=3 731 B7R1.3 c1ccc(cc1)O 33213 [2,0,0,0,0,0|0,0,1]=3 732 B7R1.3 c1ccc(cc1)O 44526 [2,0,0,0,0,0|0,0,1]=3 733 B7R1.3 c1ccc(cc1)O A15760 [2,0,0,0,0,0|0,0,1]=3 734 B7R1.3 c1ccc(cc1)O L19594 [2,0,0,0,0,0|0,0,1]=3 735 B7R1.3 c1ccc(cc1)P 30155 [2,0,0,0,0,0|1,0,0]=3 736 B7R1.3 c1ccc(cc1)S A15916 [2,0,0,0,0,0|0,1,0]=3 737 B7R1.3 c1ccc(cc1)[Hg+] 37113 [2,0,0,0,0,0|1,0,0]=3 738 B7R1.3 c1ccc(cc1)[Hg+] 37125 [2,0,0,0,0,0|1,0,0]=3 739 B7R1.3 c1ccc(cc1)[Mg+] 42859 [2,0,0,0,0,0|1,0,0]=3 740 B7R1.3 c1ccc(cc1)[Mg+] 87326 [2,0,0,0,0,0|1,0,0]=3 741 B7R1.3 c1ccc(cc1)[Mg+] H51157 [2,0,0,0,0,0|1,0,0]=3 742 B7R1.3 c1ccc(cc1)[Mg+] H54729 [2,0,0,0,0,0|1,0,0]=3 743 B7R1.3 c1ccc(cc1)[O-] 51120 [2,0,0,0,0,0|0,0,1]=3 744 B7R1.3 c1ccc(cc1)[O-] B25002 [2,0,0,0,0,0|0,0,1]=3 745 B7R1.3 c1ccc(cc1)[SeH] A12876 [2,0,0,0,0,0|0,1,0]=3 746 B7R1.3 c1ccc(cc1)[SiH3] A17901 [2,0,0,0,0,0|0,1,0]=3 747 B7R1.3 c1ccc(cc1)[Sn+3] 71157 [2,0,0,0,0,0|1,0,0]=3 748 B7R1.3 c1ccc(cc1)[Zn+] H58343 [2,0,0,0,0,0|1,0,0]=3 749 B7R1.3 c1ccc(cc1)[Zn+] H58659 [2,0,0,0,0,0|1,0,0]=3 750 B7R1.3 c1ccnc(c1)Br A13241 [2,0,0,0,0,0|2,0,0]=4 751 B7R1.3 c1ccnc(c1)Cl A14866 [2,0,0,0,0,0|2,0,0]=4 752 B7R1.3 c1ccnc(c1)F A11627 [2,0,0,0,0,0|2,0,0]=4 753 B7R1.3 c1ccnc(c1)I H63062 [2,0,0,0,0,0|2,0,0]=4 754 B7R1.3 c1ccnc(c1)N A12374 [2,0,0,0,0,0|2,0,0]=4 755 B7R1.3 c1ccnc(c1)O A14522 [2,0,0,0,0,0|1,0,1]=4 756 B7R1.3 c1ccnc(c1)S A11741 [2,0,0,0,0,0|1,1,0]=4 757 B7R1.3 c1ccnc(c1)[Zn+] H58544 [2,0,0,0,0,0|2,0,0]=4 758 B7R1.3 c1cnc[nH]c1=O A10859 [2,0,0,0,0,0|2,0,0]=4 759 B7R1.3 c1cnccc1Br L07052 [2,0,0,0,0,0|2,0,0]=4 760 B7R1.3 c1cnccc1Cl A15628 [2,0,0,0,0,0|2,0,0]=4 761 B7R1.3 c1cnccc1I B25459 [2,0,0,0,0,0|2,0,0]=4 762 B7R1.3 c1cnccc1N A12405 [2,0,0,0,0,0|2,0,0]=4 763 B7R1.3 c1cnccc1O A14586 [2,0,0,0,0,0|1,0,1]=4 764 B9R0.2 C\C=C\C=C\COC(=O)C L11050 [0,1,1,0,0,0|0,0,2]=4 765 B9R0.55 C(=C\C(=O)O)/C=C/C(=O)O L03987 [0,1,1,0,0,0|2,0,0]=4 766 B9R1.1 C#Cc1ccc(cc1)Br L19082 [1,1,0,0,0,0|0,0,2]=4 767 B9R1.1 C#Cc1ccc(cc1)Cl H51058 [1,1,0,0,0,0|0,0,2]=4 768 B9R1.1 C#Cc1ccc(cc1)F H26269 [1,1,0,0,0,0|0,0,2]=4 769 B9R1.1 C=Cc1ccc(cc1)Br A17896 [1,1,0,0,0,0|0,0,1]=3 770 B9R1.1 C=Cc1ccc(cc1)Cl B20512 [1,1,0,0,0,0|0,0,1]=3 771 B9R1.1 C=Cc1ccc(cc1)F A14775 [1,1,0,0,0,0|0,0,1]=3 772 B9R1.1 C=Cc1ccc(cc1)N L11845 [1,1,0,0,0,0|0,0,1]=3 773 B9R1.1 C=Cc1ccc(cc1)O L10902 [1,1,0,0,0,0|0,0,1]=3 774 B9R1.1 CCc1ccc(cc1)Br A13013 [1,1,0,0,0,0|0,0,1]=3 775 B9R1.1 CCc1ccc(cc1)C L02120 [1,1,0,0,0,0|0,0,1]=3 776 B9R1.1 CCc1ccc(cc1)Cl L07931 [1,1,0,0,0,0|0,0,1]=3 777 B9R1.1 CCc1ccc(cc1)F L05940 [1,1,0,0,0,0|0,0,1]=3 778 B9R1.1 CCc1ccc(cc1)I A14138 [1,1,0,0,0,0|0,0,1]=3 779 B9R1.1 CCc1ccc(cc1)N B24652 [1,1,0,0,0,0|0,0,1]=3 780 B9R1.1 CCc1ccc(cc1)O B23433 [1,1,0,0,0,0|0,0,1]=3 781 B9R1.1 CCc1ccc(cc1)S B25026 [1,1,0,0,0,0|0,0,1]=3 782 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [1,1,0,0,0,0|0,0,1]=3 783 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [1,1,0,0,0,0|0,0,1]=3 784 B9R1.1 CCc1ccc(nc1)C L06901 [1,1,0,0,0,0|1,0,1]=4 785 B9R1.1 CNc1ccc(cc1)Br H55273 [1,1,0,0,0,0|1,0,0]=3 786 B9R1.1 CNc1ccc(cc1)Cl B23962 [1,1,0,0,0,0|1,0,0]=3 787 B9R1.1 CNc1ccc(cc1)F H55105 [1,1,0,0,0,0|1,0,0]=3 788 B9R1.1 CNc1ccc(cc1)O 36674 [1,1,0,0,0,0|1,0,0]=3 789 B9R1.1 CNc1ccc(cc1)O A16236 [1,1,0,0,0,0|1,0,0]=3 790 B9R1.1 COc1cc[n+](cc1)[O-] L04709 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.1 COc1cc[n+](cc1)[O-] L17830 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.1 COc1ccc(cc1)Br A11824 [1,1,0,0,0,0|1,0,0]=3 793 B9R1.1 COc1ccc(cc1)Cl A11377 [1,1,0,0,0,0|1,0,0]=3 794 B9R1.1 COc1ccc(cc1)F B23048 [1,1,0,0,0,0|1,0,0]=3 795 B9R1.1 COc1ccc(cc1)I A12144 [1,1,0,0,0,0|1,0,0]=3 796 B9R1.1 COc1ccc(cc1)N A10946 [1,1,0,0,0,0|1,0,0]=3 797 B9R1.1 COc1ccc(cc1)O A14845 [1,1,0,0,0,0|1,0,0]=3 798 B9R1.1 COc1ccc(cc1)O B23530 [1,1,0,0,0,0|1,0,0]=3 799 B9R1.1 COc1ccc(cc1)S A16009 [1,1,0,0,0,0|1,0,0]=3 800 B9R1.1 COc1ccc(cc1)[Mg+] 89435 [1,1,0,0,0,0|1,0,0]=3 801 B9R1.1 COc1ccc(cc1)[Mg+] H54317 [1,1,0,0,0,0|1,0,0]=3 802 B9R1.1 COc1ccc(cc1)[Mg+] H55397 [1,1,0,0,0,0|1,0,0]=3 803 B9R1.1 COc1ccc(cc1)[Zn+] H58690 [1,1,0,0,0,0|1,0,0]=3 804 B9R1.1 COc1ccc(cn1)Br L20017 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.1 COc1ccc(cn1)Cl H59376 [1,1,0,0,0,0|2,0,0]=4 806 B9R1.1 COc1ccc(cn1)F H30991 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.1 COc1ccc(cn1)I H50135 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.1 COc1ccc(cn1)N H27528 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.1 CSc1ccc(cc1)Br A15504 [1,1,0,0,0,0|1,0,0]=3 810 B9R1.1 CSc1ccc(cc1)Cl A11025 [1,1,0,0,0,0|1,0,0]=3 811 B9R1.1 CSc1ccc(cc1)F L04979 [1,1,0,0,0,0|1,0,0]=3 812 B9R1.1 CSc1ccc(cc1)N L04950 [1,1,0,0,0,0|1,0,0]=3 813 B9R1.1 CSc1ccc(cc1)O H26225 [1,1,0,0,0,0|1,0,0]=3 814 B9R1.1 CSc1ccc(cc1)S L09580 [1,1,0,0,0,0|1,0,0]=3 815 B9R1.1 CSc1ccc(cc1)[Zn+] H58137 [1,1,0,0,0,0|1,0,0]=3 816 B9R1.1 CSc1ccc(cn1)Br H27596 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.1 Cc1ccc(cc1)C#C B24812 [1,1,0,0,0,0|0,0,2]=4 818 B9R1.1 Cc1ccc(cc1)C#N B23029 [1,1,0,0,0,0|1,0,1]=4 819 B9R1.1 Cc1ccc(cc1)C=C L01480 [1,1,0,0,0,0|0,0,1]=3 820 B9R1.1 Cc1ccc(cc1)C=O A11384 [1,1,0,0,0,0|0,0,0]=2 821 B9R1.1 Cc1ccc(cc1)CBr A13297 [1,1,0,0,0,0|1,0,1]=4 822 B9R1.1 Cc1ccc(cc1)CCl A17183 [1,1,0,0,0,0|1,0,1]=4 823 B9R1.1 Cc1ccc(cc1)CN A13768 [1,1,0,0,0,0|1,0,1]=4 824 B9R1.1 Cc1ccc(cc1)CO A15315 [1,1,0,0,0,0|0,0,2]=4 825 B9R1.1 Cc1ccc(cc1)CS A10467 [1,1,0,0,0,0|0,1,1]=4 826 B9R1.1 Cc1ccc(cc1)C[Mg+] H54505 [1,1,0,0,0,0|1,0,1]=4 827 B9R1.1 Cc1ccc(cc1)NN A14220 [1,1,0,0,0,0|2,0,0]=4 828 B9R1.1 Cc1ccc(cc1)OC A11572 [1,1,0,0,0,0|1,0,0]=3 829 B9R1.1 Cc1ccc(cc1)SC L02933 [1,1,0,0,0,0|1,0,0]=3 830 B9R1.1 Cc1ccc(cn1)C=O H66926 [1,1,0,0,0,0|1,0,0]=3 831 B9R1.1 c1c(cnc(n1)N)C=O H54440 [1,1,0,0,0,0|2,0,0]=4 832 B9R1.1 c1cc(ccc1C#N)Br A10914 [1,1,0,0,0,0|1,0,1]=4 833 B9R1.1 c1cc(ccc1C#N)Cl A14524 [1,1,0,0,0,0|1,0,1]=4 834 B9R1.1 c1cc(ccc1C#N)F A13028 [1,1,0,0,0,0|1,0,1]=4 835 B9R1.1 c1cc(ccc1C#N)I B25104 [1,1,0,0,0,0|1,0,1]=4 836 B9R1.1 c1cc(ccc1C#N)N A13794 [1,1,0,0,0,0|1,0,1]=4 837 B9R1.1 c1cc(ccc1C#N)O A15803 [1,1,0,0,0,0|1,0,1]=4 838 B9R1.1 c1cc(ccc1C#N)[Zn+] H58211 [1,1,0,0,0,0|1,0,1]=4 839 B9R1.1 c1cc(ccc1C=O)Br A14237 [1,1,0,0,0,0|0,0,0]=2 840 B9R1.1 c1cc(ccc1C=O)Cl A12757 [1,1,0,0,0,0|0,0,0]=2 841 B9R1.1 c1cc(ccc1C=O)F A15383 [1,1,0,0,0,0|0,0,0]=2 842 B9R1.1 c1cc(ccc1C=O)I L17448 [1,1,0,0,0,0|0,0,0]=2 843 B9R1.1 c1cc(ccc1C=O)O A13580 [1,1,0,0,0,0|0,0,0]=2 844 B9R1.1 c1cc(ccc1CBr)Br A10892 [1,1,0,0,0,0|1,0,1]=4 845 B9R1.1 c1cc(ccc1CBr)Cl B22858 [1,1,0,0,0,0|1,0,1]=4 846 B9R1.1 c1cc(ccc1CBr)F A10208 [1,1,0,0,0,0|1,0,1]=4 847 B9R1.1 c1cc(ccc1CBr)I A18200 [1,1,0,0,0,0|1,0,1]=4 848 B9R1.1 c1cc(ccc1CCl)Br L11486 [1,1,0,0,0,0|1,0,1]=4 849 B9R1.1 c1cc(ccc1CCl)Cl A14696 [1,1,0,0,0,0|1,0,1]=4 850 B9R1.1 c1cc(ccc1CCl)F A14686 [1,1,0,0,0,0|1,0,1]=4 851 B9R1.1 c1cc(ccc1CN)Br A10979 [1,1,0,0,0,0|1,0,1]=4 852 B9R1.1 c1cc(ccc1CN)Cl A13984 [1,1,0,0,0,0|1,0,1]=4 853 B9R1.1 c1cc(ccc1CN)F A15486 [1,1,0,0,0,0|1,0,1]=4 854 B9R1.1 c1cc(ccc1CN)I L17450 [1,1,0,0,0,0|1,0,1]=4 855 B9R1.1 c1cc(ccc1CN)I L19967 [1,1,0,0,0,0|1,0,1]=4 856 B9R1.1 c1cc(ccc1CO)Br A13197 [1,1,0,0,0,0|0,0,2]=4 857 B9R1.1 c1cc(ccc1CO)Cl A11504 [1,1,0,0,0,0|0,0,2]=4 858 B9R1.1 c1cc(ccc1CO)F A12336 [1,1,0,0,0,0|0,0,2]=4 859 B9R1.1 c1cc(ccc1CO)I L19278 [1,1,0,0,0,0|0,0,2]=4 860 B9R1.1 c1cc(ccc1CO)N A14130 [1,1,0,0,0,0|0,0,2]=4 861 B9R1.1 c1cc(ccc1CO)O A13132 [1,1,0,0,0,0|0,0,2]=4 862 B9R1.1 c1cc(ccc1CS)Br H26299 [1,1,0,0,0,0|0,1,1]=4 863 B9R1.1 c1cc(ccc1CS)Cl A19876 [1,1,0,0,0,0|0,1,1]=4 864 B9R1.1 c1cc(ccc1CS)F A10126 [1,1,0,0,0,0|0,1,1]=4 865 B9R1.1 c1cc(ccc1C[Mg+])Br H60905 [1,1,0,0,0,0|1,0,1]=4 866 B9R1.1 c1cc(ccc1C[Mg+])Cl H54625 [1,1,0,0,0,0|1,0,1]=4 867 B9R1.1 c1cc(ccc1C[Mg+])F H54990 [1,1,0,0,0,0|1,0,1]=4 868 B9R1.1 c1cc(ccc1C[Zn+])Br H58662 [1,1,0,0,0,0|1,0,1]=4 869 B9R1.1 c1cc(ccc1C[Zn+])Cl H58532 [1,1,0,0,0,0|1,0,1]=4 870 B9R1.1 c1cc(ccc1C[Zn+])F H58847 [1,1,0,0,0,0|1,0,1]=4 871 B9R1.1 c1cc(ccc1NN)Br A15590 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.1 c1cc(ccc1NN)Cl A14518 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.1 c1cc(ccc1NN)F A15624 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.1 c1cc(ccc1NN)I L14806 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.1 c1cc(ccc1[N+]#N)Br B25670 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.1 c1cc(ncc1Br)C=O H50154 [1,1,0,0,0,0|1,0,0]=3 877 B9R1.1 c1cc(ncc1C=O)Br H63867 [1,1,0,0,0,0|1,0,0]=3 878 B9R1.1 c1cc(ncc1C=O)Cl H55550 [1,1,0,0,0,0|1,0,0]=3 879 B9R1.2 C#Cc1cccc(c1)N L20124 [1,1,0,0,0,0|0,0,2]=4 880 B9R1.2 C#Cc1cccc(c1)O L11523 [1,1,0,0,0,0|0,0,2]=4 881 B9R1.2 C=Cc1cccc(c1)Br B24497 [1,1,0,0,0,0|0,0,1]=3 882 B9R1.2 C=Cc1cccc(c1)Cl B23806 [1,1,0,0,0,0|0,0,1]=3 883 B9R1.2 C=Cc1cccc(c1)F A12406 [1,1,0,0,0,0|0,0,1]=3 884 B9R1.2 CC[n+]1cccc(c1)O H55169 [1,1,0,0,0,0|1,0,1]=4 885 B9R1.2 CCc1cccc(c1)Br A12258 [1,1,0,0,0,0|0,0,1]=3 886 B9R1.2 CCc1cccc(c1)C L18788 [1,1,0,0,0,0|0,0,1]=3 887 B9R1.2 CCc1cccc(c1)O B23470 [1,1,0,0,0,0|0,0,1]=3 888 B9R1.2 CCc1cccc(n1)N A19146 [1,1,0,0,0,0|1,0,1]=4 889 B9R1.2 CCc1ccnc(c1)N A18754 [1,1,0,0,0,0|1,0,1]=4 890 B9R1.2 CNc1cccc(c1)Br H55464 [1,1,0,0,0,0|1,0,0]=3 891 B9R1.2 CNc1cccc(c1)Cl A12418 [1,1,0,0,0,0|1,0,0]=3 892 B9R1.2 CNc1cccc(c1)F B22565 [1,1,0,0,0,0|1,0,0]=3 893 B9R1.2 COc1cc(ccn1)Br H64026 [1,1,0,0,0,0|2,0,0]=4 894 B9R1.2 COc1cc(cnc1)Br H27728 [1,1,0,0,0,0|2,0,0]=4 895 B9R1.2 COc1cccc(c1)Br A15625 [1,1,0,0,0,0|1,0,0]=3 896 B9R1.2 COc1cccc(c1)Cl A17327 [1,1,0,0,0,0|1,0,0]=3 897 B9R1.2 COc1cccc(c1)F A10931 [1,1,0,0,0,0|1,0,0]=3 898 B9R1.2 COc1cccc(c1)I A14208 [1,1,0,0,0,0|1,0,0]=3 899 B9R1.2 COc1cccc(c1)N A10815 [1,1,0,0,0,0|1,0,0]=3 900 B9R1.2 COc1cccc(c1)O A12826 [1,1,0,0,0,0|1,0,0]=3 901 B9R1.2 COc1cccc(c1)S A10648 [1,1,0,0,0,0|1,0,0]=3 902 B9R1.2 COc1cccc(c1)[Mg+] H54780 [1,1,0,0,0,0|1,0,0]=3 903 B9R1.2 COc1cccc(c1)[Zn+] H58982 [1,1,0,0,0,0|1,0,0]=3 904 B9R1.2 COc1cccc(n1)Br H30593 [1,1,0,0,0,0|2,0,0]=4 905 B9R1.2 COc1cccc(n1)Cl L05997 [1,1,0,0,0,0|2,0,0]=4 906 B9R1.2 COc1cccc(n1)F H32994 [1,1,0,0,0,0|2,0,0]=4 907 B9R1.2 COc1cccc(n1)N H66436 [1,1,0,0,0,0|2,0,0]=4 908 B9R1.2 COc1ccnc(c1)Cl L17697 [1,1,0,0,0,0|2,0,0]=4 909 B9R1.2 COc1ccnc(c1)N H66125 [1,1,0,0,0,0|2,0,0]=4 910 B9R1.2 CSc1cccc(c1)Br B25406 [1,1,0,0,0,0|1,0,0]=3 911 B9R1.2 CSc1cccc(c1)Cl L11346 [1,1,0,0,0,0|1,0,0]=3 912 B9R1.2 CSc1cccc(c1)N B23184 [1,1,0,0,0,0|1,0,0]=3 913 B9R1.2 Cc1cccc(c1)C#C L17184 [1,1,0,0,0,0|0,0,2]=4 914 B9R1.2 Cc1cccc(c1)C#N A13165 [1,1,0,0,0,0|1,0,1]=4 915 B9R1.2 Cc1cccc(c1)C=C L08072 [1,1,0,0,0,0|0,0,1]=3 916 B9R1.2 Cc1cccc(c1)C=O A15313 [1,1,0,0,0,0|0,0,0]=2 917 B9R1.2 Cc1cccc(c1)CBr B24731 [1,1,0,0,0,0|1,0,1]=4 918 B9R1.2 Cc1cccc(c1)CCl A10784 [1,1,0,0,0,0|1,0,1]=4 919 B9R1.2 Cc1cccc(c1)CN L04922 [1,1,0,0,0,0|1,0,1]=4 920 B9R1.2 Cc1cccc(c1)CO B20875 [1,1,0,0,0,0|0,0,2]=4 921 B9R1.2 Cc1cccc(c1)CS L12043 [1,1,0,0,0,0|0,1,1]=4 922 B9R1.2 Cc1cccc(c1)C[Mg+] H54617 [1,1,0,0,0,0|1,0,1]=4 923 B9R1.2 Cc1cccc(c1)NN A13667 [1,1,0,0,0,0|2,0,0]=4 924 B9R1.2 Cc1cccc(c1)NN L11958 [1,1,0,0,0,0|2,0,0]=4 925 B9R1.2 Cc1cccc(c1)OC B21455 [1,1,0,0,0,0|1,0,0]=3 926 B9R1.2 Cc1cccc(n1)C=O H26841 [1,1,0,0,0,0|1,0,0]=3 927 B9R1.2 Cc1cccc(n1)OC H25772 [1,1,0,0,0,0|2,0,0]=4 928 B9R1.2 c1c(cncc1Br)C=O H59224 [1,1,0,0,0,0|1,0,0]=3 929 B9R1.2 c1cc(cc(c1)Br)C#N A13317 [1,1,0,0,0,0|1,0,1]=4 930 B9R1.2 c1cc(cc(c1)Br)C=O A11941 [1,1,0,0,0,0|0,0,0]=2 931 B9R1.2 c1cc(cc(c1)Br)CBr A15075 [1,1,0,0,0,0|1,0,1]=4 932 B9R1.2 c1cc(cc(c1)Br)CCl L12458 [1,1,0,0,0,0|1,0,1]=4 933 B9R1.2 c1cc(cc(c1)Br)CN A16132 [1,1,0,0,0,0|1,0,1]=4 934 B9R1.2 c1cc(cc(c1)Br)CN B24963 [1,1,0,0,0,0|1,0,1]=4 935 B9R1.2 c1cc(cc(c1)Br)CO A10929 [1,1,0,0,0,0|0,0,2]=4 936 B9R1.2 c1cc(cc(c1)Br)CS H26358 [1,1,0,0,0,0|0,1,1]=4 937 B9R1.2 c1cc(cc(c1)Br)C[Mg+] H60329 [1,1,0,0,0,0|1,0,1]=4 938 B9R1.2 c1cc(cc(c1)Br)C[Zn+] H58983 [1,1,0,0,0,0|1,0,1]=4 939 B9R1.2 c1cc(cc(c1)Br)NN B23510 [1,1,0,0,0,0|2,0,0]=4 940 B9R1.2 c1cc(cc(c1)Cl)C#N A13237 [1,1,0,0,0,0|1,0,1]=4 941 B9R1.2 c1cc(cc(c1)Cl)C=O A13254 [1,1,0,0,0,0|0,0,0]=2 942 B9R1.2 c1cc(cc(c1)Cl)CBr A15844 [1,1,0,0,0,0|1,0,1]=4 943 B9R1.2 c1cc(cc(c1)Cl)CCl A11041 [1,1,0,0,0,0|1,0,1]=4 944 B9R1.2 c1cc(cc(c1)Cl)CN A14078 [1,1,0,0,0,0|1,0,1]=4 945 B9R1.2 c1cc(cc(c1)Cl)CO A11841 [1,1,0,0,0,0|0,0,2]=4 946 B9R1.2 c1cc(cc(c1)Cl)C[Mg+] H54237 [1,1,0,0,0,0|1,0,1]=4 947 B9R1.2 c1cc(cc(c1)Cl)C[Zn+] H58753 [1,1,0,0,0,0|1,0,1]=4 948 B9R1.2 c1cc(cc(c1)Cl)NN A14770 [1,1,0,0,0,0|2,0,0]=4 949 B9R1.2 c1cc(cc(c1)F)C#N B23426 [1,1,0,0,0,0|1,0,1]=4 950 B9R1.2 c1cc(cc(c1)F)C=O A11396 [1,1,0,0,0,0|0,0,0]=2 951 B9R1.2 c1cc(cc(c1)F)CBr A15446 [1,1,0,0,0,0|1,0,1]=4 952 B9R1.2 c1cc(cc(c1)F)CCl A12665 [1,1,0,0,0,0|1,0,1]=4 953 B9R1.2 c1cc(cc(c1)F)CN B23527 [1,1,0,0,0,0|1,0,1]=4 954 B9R1.2 c1cc(cc(c1)F)CO A12509 [1,1,0,0,0,0|0,0,2]=4 955 B9R1.2 c1cc(cc(c1)F)C[Mg+] H54485 [1,1,0,0,0,0|1,0,1]=4 956 B9R1.2 c1cc(cc(c1)F)C[Zn+] H58707 [1,1,0,0,0,0|1,0,1]=4 957 B9R1.2 c1cc(cc(c1)F)NN L07418 [1,1,0,0,0,0|2,0,0]=4 958 B9R1.2 c1cc(cc(c1)I)C#N B22020 [1,1,0,0,0,0|1,0,1]=4 959 B9R1.2 c1cc(cc(c1)I)C=O L17447 [1,1,0,0,0,0|0,0,0]=2 960 B9R1.2 c1cc(cc(c1)I)CBr A11140 [1,1,0,0,0,0|1,0,1]=4 961 B9R1.2 c1cc(cc(c1)I)CN L05622 [1,1,0,0,0,0|1,0,1]=4 962 B9R1.2 c1cc(cc(c1)I)CN L17801 [1,1,0,0,0,0|1,0,1]=4 963 B9R1.2 c1cc(cc(c1)I)CO L05309 [1,1,0,0,0,0|0,0,2]=4 964 B9R1.2 c1cc(cc(c1)N)C#N A13995 [1,1,0,0,0,0|1,0,1]=4 965 B9R1.2 c1cc(cc(c1)N)CO L07847 [1,1,0,0,0,0|0,0,2]=4 966 B9R1.2 c1cc(cc(c1)O)C#N B21702 [1,1,0,0,0,0|1,0,1]=4 967 B9R1.2 c1cc(cc(c1)O)C=O A13541 [1,1,0,0,0,0|0,0,0]=2 968 B9R1.2 c1cc(cc(c1)O)CN H35708 [1,1,0,0,0,0|1,0,1]=4 969 B9R1.2 c1cc(cc(c1)O)CO A15981 [1,1,0,0,0,0|0,0,2]=4 970 B9R1.2 c1cc(nc(c1)Br)C=O L19518 [1,1,0,0,0,0|1,0,0]=3 971 B9R1.2 c1cc(nc(c1)Cl)C=O H64129 [1,1,0,0,0,0|1,0,0]=3 972 B9R1.2 c1cnc(cc1C=O)Br L19852 [1,1,0,0,0,0|1,0,0]=3 973 B9R1.2 c1cnc(cc1C=O)Cl H50098 [1,1,0,0,0,0|1,0,0]=3 974 B9R1.8 C#CCc1ccccc1 H53500 [1,1,0,0,0,0|0,0,2]=4 975 B9R1.8 C=CCc1ccccc1 A12965 [1,1,0,0,0,0|0,0,1]=3 976 B9R1.8 CC#Cc1ccccc1 A14272 [1,1,0,0,0,0|0,0,1]=3 977 B9R1.8 CCCc1ccccc1 B21468 [1,1,0,0,0,0|0,0,1]=3 978 B9R1.8 CCNc1ccccc1 A15060 [1,1,0,0,0,0|0,0,1]=3 979 B9R1.8 CCOc1ccccc1 A15501 [1,1,0,0,0,0|0,0,1]=3 980 B9R1.8 CCOc1ccccn1 L05649 [1,1,0,0,0,0|1,0,1]=4 981 B9R1.8 CCSc1ccccc1 A13987 [1,1,0,0,0,0|0,0,1]=3 982 B9R1.8 CNCc1ccccc1 A13746 [1,1,0,0,0,0|0,0,1]=3 983 B9R1.8 CNCc1cccnc1 H50262 [1,1,0,0,0,0|1,0,1]=4 984 B9R1.8 COCc1ccccc1 B23490 [1,1,0,0,0,0|0,0,1]=3 985 B9R1.8 C\N=C\c1ccccc1 B25161 [1,1,0,0,0,0|0,0,0]=2 986 B9R1.8 c1cc(cnc1)CCN L16311 [1,1,0,0,0,0|1,0,1]=4 987 B9R1.8 c1cc(cnc1)\C=N\O B25679 [1,1,0,0,0,0|1,0,1]=4 988 B9R1.8 c1ccc(cc1)CC#N A10694 [1,1,0,0,0,0|0,0,2]=4 989 B9R1.8 c1ccc(cc1)CC=O A14263 [1,1,0,0,0,0|0,0,0]=2 990 B9R1.8 c1ccc(cc1)CCBr A12528 [1,1,0,0,0,0|0,0,1]=3 991 B9R1.8 c1ccc(cc1)CCCl L04891 [1,1,0,0,0,0|0,0,1]=3 992 B9R1.8 c1ccc(cc1)CCN A13402 [1,1,0,0,0,0|0,0,1]=3 993 B9R1.8 c1ccc(cc1)CCO A15241 [1,1,0,0,0,0|0,0,1]=3 994 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [1,1,0,0,0,0|0,0,1]=3 995 B9R1.8 c1ccc(cc1)CNN H54916 [1,1,0,0,0,0|1,0,1]=4 996 B9R1.8 c1ccc(cc1)CON A17393 [1,1,0,0,0,0|0,0,2]=4 997 B9R1.8 c1ccc(cc1)CON L13601 [1,1,0,0,0,0|0,0,2]=4 998 B9R1.8 c1ccc(cc1)N=C=O A12808 [1,1,0,0,0,0|0,0,1]=3 999 B9R1.8 c1ccc(cc1)N=C=S A11596 [1,1,0,0,0,0|0,1,1]=4 1000 B9R1.8 c1ccc(cc1)N=S=O H59451 [1,1,0,0,0,0|1,0,0]=3 1001 B9R1.8 c1ccc(cc1)NC=O A12472 [1,1,0,0,0,0|0,0,0]=2 1002 B9R1.8 c1ccc(cc1)OC=O L00289 [1,1,0,0,0,0|0,0,0]=2 1003 B9R1.8 c1ccc(cc1)[Se]C#N L20194 [1,1,0,0,0,0|1,0,1]=4 1004 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [1,1,0,0,0,0|0,0,1]=3 1005 B9R1.8 c1ccc(cc1)\C=N\O A12053 [1,1,0,0,0,0|0,0,1]=3 1006 B9R1.8 c1ccnc(c1)CCN L05627 [1,1,0,0,0,0|1,0,1]=4 1007 B9R1.8 c1ccnc(c1)CCO B23579 [1,1,0,0,0,0|1,0,1]=4 1008 B9R1.8 c1ccnc(c1)\C=N\O A16714 [1,1,0,0,0,0|1,0,1]=4 1009 B9R1.8 c1ccnc(c1)\C=N\O B23890 [1,1,0,0,0,0|1,0,1]=4 1010 B9R1.8 c1cnccc1CCN H27545 [1,1,0,0,0,0|1,0,1]=4 1011 B9R1.8 c1cnccc1CCO L13780 [1,1,0,0,0,0|1,0,1]=4 1012 B9R1.8 c1cnccc1\C=N\O A17371 [1,1,0,0,0,0|1,0,1]=4 1013 B9R1.15 C#Cc1ccccc1Cl H53441 [1,1,0,0,0,0|0,0,2]=4 1014 B9R1.15 C#Cc1ccccc1F H60596 [1,1,0,0,0,0|0,0,2]=4 1015 B9R1.15 C=Cc1ccccc1Br B24181 [1,1,0,0,0,0|0,0,1]=3 1016 B9R1.15 C=Cc1ccccc1Cl B21551 [1,1,0,0,0,0|0,0,1]=3 1017 B9R1.15 C=Cc1ccccc1F A17425 [1,1,0,0,0,0|0,0,1]=3 1018 B9R1.15 CCc1ccccc1Br B23449 [1,1,0,0,0,0|0,0,1]=3 1019 B9R1.15 CCc1ccccc1C L02028 [1,1,0,0,0,0|0,0,1]=3 1020 B9R1.15 CCc1ccccc1I A14509 [1,1,0,0,0,0|0,0,1]=3 1021 B9R1.15 CCc1ccccc1N A14984 [1,1,0,0,0,0|0,0,1]=3 1022 B9R1.15 CCc1ccccc1O L01637 [1,1,0,0,0,0|0,0,1]=3 1023 B9R1.15 CCc1ccccc1S L11498 [1,1,0,0,0,0|0,0,1]=3 1024 B9R1.15 CCc1ccccc1[Zn+] H58221 [1,1,0,0,0,0|0,0,1]=3 1025 B9R1.15 CCc1cnccc1C B21406 [1,1,0,0,0,0|1,0,1]=4 1026 B9R1.15 CNc1ccccc1Br H55166 [1,1,0,0,0,0|1,0,0]=3 1027 B9R1.15 CNc1ccccc1Cl A14343 [1,1,0,0,0,0|1,0,0]=3 1028 B9R1.15 COc1c(cccn1)Br H27279 [1,1,0,0,0,0|2,0,0]=4 1029 B9R1.15 COc1c(cccn1)Cl H27526 [1,1,0,0,0,0|2,0,0]=4 1030 B9R1.15 COc1c(cccn1)F H31901 [1,1,0,0,0,0|2,0,0]=4 1031 B9R1.15 COc1c(cccn1)I H50059 [1,1,0,0,0,0|2,0,0]=4 1032 B9R1.15 COc1ccc[nH]c1=O L07080 [1,1,0,0,0,0|2,0,0]=4 1033 B9R1.15 COc1ccccc1Br A11692 [1,1,0,0,0,0|1,0,0]=3 1034 B9R1.15 COc1ccccc1Cl L06952 [1,1,0,0,0,0|1,0,0]=3 1035 B9R1.15 COc1ccccc1F A12380 [1,1,0,0,0,0|1,0,0]=3 1036 B9R1.15 COc1ccccc1I A10150 [1,1,0,0,0,0|1,0,0]=3 1037 B9R1.15 COc1ccccc1N A10288 [1,1,0,0,0,0|1,0,0]=3 1038 B9R1.15 COc1ccccc1O A16319 [1,1,0,0,0,0|1,0,0]=3 1039 B9R1.15 COc1ccccc1S L09689 [1,1,0,0,0,0|1,0,0]=3 1040 B9R1.15 COc1ccccc1[Mg+] H54579 [1,1,0,0,0,0|1,0,0]=3 1041 B9R1.15 COc1ccccc1[Zn+] H58341 [1,1,0,0,0,0|1,0,0]=3 1042 B9R1.15 COc1cccnc1Cl L17696 [1,1,0,0,0,0|2,0,0]=4 1043 B9R1.15 COc1cccnc1I L19868 [1,1,0,0,0,0|2,0,0]=4 1044 B9R1.15 COc1ccncc1Br H64296 [1,1,0,0,0,0|2,0,0]=4 1045 B9R1.15 COc1ccncc1Cl H64298 [1,1,0,0,0,0|2,0,0]=4 1046 B9R1.15 COc1ccncc1F H64603 [1,1,0,0,0,0|2,0,0]=4 1047 B9R1.15 CSc1ccccc1Br A13632 [1,1,0,0,0,0|1,0,0]=3 1048 B9R1.15 CSc1ccccc1I A14051 [1,1,0,0,0,0|1,0,0]=3 1049 B9R1.15 CSc1ccccc1N A12762 [1,1,0,0,0,0|1,0,0]=3 1050 B9R1.15 CSc1ccccc1O L10128 [1,1,0,0,0,0|1,0,0]=3 1051 B9R1.15 Cc1ccccc1C#N B22231 [1,1,0,0,0,0|1,0,1]=4 1052 B9R1.15 Cc1ccccc1C=C A12676 [1,1,0,0,0,0|0,0,1]=3 1053 B9R1.15 Cc1ccccc1C=O A10172 [1,1,0,0,0,0|0,0,0]=2 1054 B9R1.15 Cc1ccccc1CBr B21717 [1,1,0,0,0,0|1,0,1]=4 1055 B9R1.15 Cc1ccccc1CCl A13448 [1,1,0,0,0,0|1,0,1]=4 1056 B9R1.15 Cc1ccccc1CN L05243 [1,1,0,0,0,0|1,0,1]=4 1057 B9R1.15 Cc1ccccc1CO A12696 [1,1,0,0,0,0|0,0,2]=4 1058 B9R1.15 Cc1ccccc1CS A15816 [1,1,0,0,0,0|0,1,1]=4 1059 B9R1.15 Cc1ccccc1C[Mg+] H54170 [1,1,0,0,0,0|1,0,1]=4 1060 B9R1.15 Cc1ccccc1NN A15767 [1,1,0,0,0,0|2,0,0]=4 1061 B9R1.15 Cc1ccccc1OC A13897 [1,1,0,0,0,0|1,0,0]=3 1062 B9R1.15 Cc1cccnc1C=O H56168 [1,1,0,0,0,0|1,0,0]=3 1063 B9R1.15 c1c(c(ncn1)N)C=O H35706 [1,1,0,0,0,0|2,0,0]=4 1064 B9R1.15 c1cc(c(nc1)C=O)F H61902 [1,1,0,0,0,0|1,0,0]=3 1065 B9R1.15 c1cc(c(nc1)Cl)C=O H53399 [1,1,0,0,0,0|1,0,0]=3 1066 B9R1.15 c1cc(c(nc1)N)C=O L19620 [1,1,0,0,0,0|1,0,0]=3 1067 B9R1.15 c1ccc(c(c1)C#N)Br A10679 [1,1,0,0,0,0|1,0,1]=4 1068 B9R1.15 c1ccc(c(c1)C#N)Cl B20451 [1,1,0,0,0,0|1,0,1]=4 1069 B9R1.15 c1ccc(c(c1)C#N)F A14375 [1,1,0,0,0,0|1,0,1]=4 1070 B9R1.15 c1ccc(c(c1)C#N)N A12286 [1,1,0,0,0,0|1,0,1]=4 1071 B9R1.15 c1ccc(c(c1)C#N)O A13606 [1,1,0,0,0,0|1,0,1]=4 1072 B9R1.15 c1ccc(c(c1)C#N)[Zn+] H58272 [1,1,0,0,0,0|1,0,1]=4 1073 B9R1.15 c1ccc(c(c1)C=O)Br A15065 [1,1,0,0,0,0|0,0,0]=2 1074 B9R1.15 c1ccc(c(c1)C=O)Cl A13488 [1,1,0,0,0,0|0,0,0]=2 1075 B9R1.15 c1ccc(c(c1)C=O)F A13800 [1,1,0,0,0,0|0,0,0]=2 1076 B9R1.15 c1ccc(c(c1)C=O)I L17446 [1,1,0,0,0,0|0,0,0]=2 1077 B9R1.15 c1ccc(c(c1)C=O)O A13833 [1,1,0,0,0,0|0,0,0]=2 1078 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [1,1,0,0,0,0|1,0,1]=4 1079 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [1,1,0,0,0,0|1,0,1]=4 1080 B9R1.15 c1ccc(c(c1)CBr)F A12692 [1,1,0,0,0,0|1,0,1]=4 1081 B9R1.15 c1ccc(c(c1)CBr)I B21715 [1,1,0,0,0,0|1,0,1]=4 1082 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [1,1,0,0,0,0|1,0,1]=4 1083 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [1,1,0,0,0,0|1,0,1]=4 1084 B9R1.15 c1ccc(c(c1)CCl)F A11566 [1,1,0,0,0,0|1,0,1]=4 1085 B9R1.15 c1ccc(c(c1)CN)Br A12412 [1,1,0,0,0,0|1,0,1]=4 1086 B9R1.15 c1ccc(c(c1)CN)Br A18151 [1,1,0,0,0,0|1,0,1]=4 1087 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [1,1,0,0,0,0|1,0,1]=4 1088 B9R1.15 c1ccc(c(c1)CN)F A15623 [1,1,0,0,0,0|1,0,1]=4 1089 B9R1.15 c1ccc(c(c1)CO)Br A15700 [1,1,0,0,0,0|0,0,2]=4 1090 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [1,1,0,0,0,0|0,0,2]=4 1091 B9R1.15 c1ccc(c(c1)CO)F A14791 [1,1,0,0,0,0|0,0,2]=4 1092 B9R1.15 c1ccc(c(c1)CO)I L15126 [1,1,0,0,0,0|0,0,2]=4 1093 B9R1.15 c1ccc(c(c1)CO)N A13180 [1,1,0,0,0,0|0,0,2]=4 1094 B9R1.15 c1ccc(c(c1)CO)O A14410 [1,1,0,0,0,0|0,0,2]=4 1095 B9R1.15 c1ccc(c(c1)CO)S L11536 [1,1,0,0,0,0|0,0,2]=4 1096 B9R1.15 c1ccc(c(c1)CS)Br H26247 [1,1,0,0,0,0|0,1,1]=4 1097 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [1,1,0,0,0,0|0,1,1]=4 1098 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [1,1,0,0,0,0|1,0,1]=4 1099 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [1,1,0,0,0,0|1,0,1]=4 1100 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [1,1,0,0,0,0|1,0,1]=4 1101 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [1,1,0,0,0,0|1,0,1]=4 1102 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [1,1,0,0,0,0|1,0,1]=4 1103 B9R1.15 c1ccc(c(c1)NN)Br B23966 [1,1,0,0,0,0|2,0,0]=4 1104 B9R1.15 c1ccc(c(c1)NN)Cl A14136 [1,1,0,0,0,0|2,0,0]=4 1105 B9R1.15 c1ccc(c(c1)NN)F A13716 [1,1,0,0,0,0|2,0,0]=4 1106 B9R1.15 c1cncc(c1C=O)Cl H55852 [1,1,0,0,0,0|1,0,0]=3 1107 B9R1.15 c1cncc(c1C=O)N H50024 [1,1,0,0,0,0|1,0,0]=3 1108 B9R1.15 c1cncc(c1N)C=O H50028 [1,1,0,0,0,0|1,0,0]=3 1109 B9R1.11 CCC(=O)c1ccc[nH]1 B23954 [0,1,0,0,1,0|1,0,0]=3 1110 B9R1.11 CCC(=O)c1ccco1 H26754 [0,1,0,0,1,0|1,0,0]=3 1111 B9R1.11 CCC(=O)c1cccs1 L02318 [0,1,0,0,1,0|1,0,0]=3 1112 B9R1.11 CCC(=O)c1nccs1 B21711 [0,1,0,0,1,0|2,0,0]=4 1113 B9R1.11 COC(=O)c1c[nH]cn1 H55932 [0,1,0,0,1,0|2,0,0]=4 1114 B9R1.11 COC(=O)c1cc[nH]c1 H54340 [0,1,0,0,1,0|1,0,0]=3 1115 B9R1.11 COC(=O)c1cc[nH]n1 H34148 [0,1,0,0,1,0|2,0,0]=4 1116 B9R1.11 COC(=O)c1ccc[nH]1 H59437 [0,1,0,0,1,0|1,0,0]=3 1117 B9R1.11 COC(=O)c1ccco1 A14009 [0,1,0,0,1,0|1,0,0]=3 1118 B9R1.11 COC(=O)c1cccs1 A12677 [0,1,0,0,1,0|1,0,0]=3 1119 B9R1.11 COC(=O)c1ccno1 B25169 [0,1,0,0,1,0|2,0,0]=4 1120 B9R1.11 COC(=O)c1ccsc1 H61488 [0,1,0,0,1,0|1,0,0]=3 1121 B9R1.11 COC(=O)c1nccs1 H63496 [0,1,0,0,1,0|2,0,0]=4 1122 B9R1.11 c1cc(oc1)C(=O)NN A13630 [0,1,0,0,1,0|2,0,0]=4 1123 B9R1.11 c1cc(sc1)C(=O)CBr H51060 [0,1,0,0,1,0|1,0,0]=3 1124 B9R1.11 c1cc(sc1)C(=O)NN A11270 [0,1,0,0,1,0|2,0,0]=4 1125 B9R1.19 CS(=O)(=O)c1cccs1 B20940 [0,1,0,0,1,0|2,0,0]=4 1126 B9R1.35 CC(=O)c1cc(cs1)Cl H30384 [0,1,0,0,1,0|1,0,0]=3 1127 B9R1.35 CC(=O)c1ccc(s1)Br A14826 [0,1,0,0,1,0|1,0,0]=3 1128 B9R1.35 CC(=O)c1ccc(s1)Cl A11850 [0,1,0,0,1,0|1,0,0]=3 1129 B9R1.35 CC(=O)c1ccc(s1)I L17852 [0,1,0,0,1,0|1,0,0]=3 1130 B9R1.35 Cc1cc(sc1)C(=O)C L17617 [0,1,0,0,1,0|1,0,0]=3 1131 B9R1.35 Cc1ccc(o1)C(=O)C A16172 [0,1,0,0,1,0|1,0,0]=3 1132 B9R1.35 Cc1ccc(o1)C(=O)Cl H27697 [0,1,0,0,1,0|2,0,0]=4 1133 B9R1.35 Cc1ccc(s1)C(=O)C A11282 [0,1,0,0,1,0|1,0,0]=3 1134 B9R1.35 Cc1ccc(s1)C(=O)O A17737 [0,1,0,0,1,0|2,0,0]=4 1135 B9R1.35 c1c(coc1C(=O)N)Br H52355 [0,1,0,0,1,0|2,0,0]=4 1136 B9R1.35 c1cc(oc1C(=O)O)Br A14840 [0,1,0,0,1,0|2,0,0]=4 1137 B9R1.35 c1cc(sc1C(=O)Cl)Cl H61474 [0,1,0,0,1,0|2,0,0]=4 1138 B9R1.35 c1cc(sc1C(=O)O)Br A19242 [0,1,0,0,1,0|2,0,0]=4 1139 B9R1.35 c1cc(sc1C(=O)O)Cl A15209 [0,1,0,0,1,0|2,0,0]=4 1140 B9R1.41 CC(=O)c1c(ccs1)Br L20113 [0,1,0,0,1,0|1,0,0]=3 1141 B9R1.41 CC(=O)c1c(ccs1)Cl L20114 [0,1,0,0,1,0|1,0,0]=3 1142 B9R1.41 CC(=O)c1c(ccs1)N L10563 [0,1,0,0,1,0|1,0,0]=3 1143 B9R1.41 CC(=O)c1cccn1C A15353 [0,1,0,0,1,0|1,0,0]=3 1144 B9R1.41 Cc1c(cco1)C(=O)Cl H27206 [0,1,0,0,1,0|2,0,0]=4 1145 B9R1.41 Cc1c(cco1)C(=O)O B24928 [0,1,0,0,1,0|2,0,0]=4 1146 B9R1.41 Cc1ccoc1C(=O)O L01763 [0,1,0,0,1,0|2,0,0]=4 1147 B9R1.41 Cc1ccsc1C(=O)C L04086 [0,1,0,0,1,0|1,0,0]=3 1148 B9R1.41 Cc1ccsc1C(=O)Cl L17989 [0,1,0,0,1,0|2,0,0]=4 1149 B9R1.41 Cc1ccsc1C(=O)N L18092 [0,1,0,0,1,0|2,0,0]=4 1150 B9R1.41 Cc1ccsc1C(=O)O A19194 [0,1,0,0,1,0|2,0,0]=4 1151 B9R1.41 Cn1cccc1C(=O)Cl L18431 [0,1,0,0,1,0|2,0,0]=4 1152 B9R1.41 Cn1cccc1C(=O)O L05906 [0,1,0,0,1,0|2,0,0]=4 1153 B9R1.41 c1csc(c1Br)C(=O)N L16138 [0,1,0,0,1,0|2,0,0]=4 1154 B9R1.41 c1csc(c1Br)C(=O)O A11935 [0,1,0,0,1,0|2,0,0]=4 1155 B9R1.41 c1csc(c1Cl)C(=O)O L13560 [0,1,0,0,1,0|2,0,0]=4 1156 B9R1.41 c1csc(c1N)C(=O)N L12371 [0,1,0,0,1,0|2,0,0]=4 1157 B11R1.20 CC(=O)Cc1ccc(cc1)Br A19028 [0,1,0,0,0,1|0,0,0]=2 1158 B11R1.20 CC(=O)Cc1ccc(cc1)F L11720 [0,1,0,0,0,1|0,0,0]=2 1159 B11R1.20 CC(=O)Cc1ccc(cc1)O A18936 [0,1,0,0,0,1|0,0,0]=2 1160 B11R1.20 CC(=O)Nc1ccc(cc1)Br L02924 [0,1,0,0,0,1|0,0,0]=2 1161 B11R1.20 CC(=O)Nc1ccc(cc1)Cl A11214 [0,1,0,0,0,1|0,0,0]=2 1162 B11R1.20 CC(=O)Nc1ccc(cc1)F A18974 [0,1,0,0,0,1|0,0,0]=2 1163 B11R1.20 CC(=O)Nc1ccc(cc1)N A13937 [0,1,0,0,0,1|0,0,0]=2 1164 B11R1.20 CC(=O)Nc1ccc(cc1)N B20740 [0,1,0,0,0,1|0,0,0]=2 1165 B11R1.20 CC(=O)Nc1ccc(cc1)O A11240 [0,1,0,0,0,1|0,0,0]=2 1166 B11R1.20 CC(=O)Nc1ccc(cc1)S B23932 [0,1,0,0,0,1|0,0,0]=2 1167 B11R1.20 CC(=O)Nc1ccc(cn1)Br H27456 [0,1,0,0,0,1|1,0,0]=3 1168 B11R1.20 CC(=O)Nc1ccc(cn1)N L20004 [0,1,0,0,0,1|1,0,0]=3 1169 B11R1.20 CC(=O)Oc1ccc(cc1)F B21356 [0,1,0,0,0,1|0,0,0]=2 1170 B11R1.20 CC(C)Cc1ccc(cc1)[Mg+] H54201 [0,1,0,0,0,1|1,0,1]=4 1171 B11R1.20 CC(Cc1ccc(cc1)F)N H51016 [0,1,0,0,0,1|1,0,1]=4 1172 B11R1.20 Cc1ccc(cc1)CC(=O)C B24728 [0,1,0,0,0,1|0,0,0]=2 1173 B11R1.20 Cc1ccc(cc1)CC(=O)Cl H37997 [0,1,0,0,0,1|1,0,0]=3 1174 B11R1.20 Cc1ccc(cc1)CC(=O)O A15129 [0,1,0,0,0,1|1,0,0]=3 1175 B11R1.20 Cc1ccc(cc1)CC(=S)N H26278 [0,1,0,0,0,1|1,1,0]=4 1176 B11R1.20 Cc1ccc(cc1)NC(=O)C A13721 [0,1,0,0,0,1|0,0,0]=2 1177 B11R1.20 Cc1ccc(cc1)NC(=O)N A11150 [0,1,0,0,0,1|1,0,0]=3 1178 B11R1.20 Cc1ccc(cc1)NC(=S)N A11098 [0,1,0,0,0,1|1,1,0]=4 1179 B11R1.20 Cc1ccc(cc1)OC(=S)Cl B23501 [0,1,0,0,0,1|1,1,0]=4 1180 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl A12530 [0,1,0,0,0,1|1,0,0]=3 1181 B11R1.20 c1cc(ccc1CC(=O)Cl)F L19235 [0,1,0,0,0,1|1,0,0]=3 1182 B11R1.20 c1cc(ccc1CC(=O)N)O A15266 [0,1,0,0,0,1|1,0,0]=3 1183 B11R1.20 c1cc(ccc1CC(=O)O)Br A15325 [0,1,0,0,0,1|1,0,0]=3 1184 B11R1.20 c1cc(ccc1CC(=O)O)Cl A14974 [0,1,0,0,0,1|1,0,0]=3 1185 B11R1.20 c1cc(ccc1CC(=O)O)F A10646 [0,1,0,0,0,1|1,0,0]=3 1186 B11R1.20 c1cc(ccc1CC(=O)O)I L13345 [0,1,0,0,0,1|1,0,0]=3 1187 B11R1.20 c1cc(ccc1CC(=O)O)N A14675 [0,1,0,0,0,1|1,0,0]=3 1188 B11R1.20 c1cc(ccc1CC(=O)O)O A15018 [0,1,0,0,0,1|1,0,0]=3 1189 B11R1.20 c1cc(ccc1CC(=O)O)S H27658 [0,1,0,0,0,1|1,0,0]=3 1190 B11R1.20 c1cc(ccc1CC(=S)N)Cl H26864 [0,1,0,0,0,1|1,1,0]=4 1191 B11R1.20 c1cc(ccc1NC(=O)N)Br L11074 [0,1,0,0,0,1|1,0,0]=3 1192 B11R1.20 c1cc(ccc1NC(=O)N)Cl B25090 [0,1,0,0,0,1|1,0,0]=3 1193 B11R1.20 c1cc(ccc1NC(=O)N)F L01314 [0,1,0,0,0,1|1,0,0]=3 1194 B11R1.20 c1cc(ccc1NC(=S)N)Br L11163 [0,1,0,0,0,1|1,1,0]=4 1195 B11R1.20 c1cc(ccc1NC(=S)N)Cl A12651 [0,1,0,0,0,1|1,1,0]=4 1196 B11R1.20 c1cc(ccc1NC(=S)N)F L11159 [0,1,0,0,0,1|1,1,0]=4 1197 B11R1.20 c1cc(ccc1NC(=S)N)O L12537 [0,1,0,0,0,1|1,1,0]=4 1198 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl 31175 [0,1,0,0,0,1|1,0,0]=3 1199 B11R1.20 c1cc(ncc1Br)CC(=O)O H33181 [0,1,0,0,0,1|2,0,0]=4 1200 B11R1.20 c1cc(ncc1CC(=O)O)Cl H27966 [0,1,0,0,0,1|2,0,0]=4 1201 B11R1.36 CC(=C)C(c1ccccc1)O B20936 [0,1,0,0,0,1|1,0,0]=3 1202 B11R1.36 CC(C(=O)c1ccccc1)Br A10661 [0,1,0,0,0,1|1,0,1]=4 1203 B11R1.36 CC(C)C(=O)c1ccccc1 B24628 [0,1,0,0,0,1|1,0,1]=4 1204 B11R1.36 CC(C)C(c1ccccc1)O B20729 [0,1,0,0,0,1|1,0,1]=4 1205 B11R1.36 CC(c1ccccc1)C(=O)O L00709 [0,1,0,0,0,1|1,0,0]=3 1206 B11R1.36 CC(c1ccccc1)N(C)C A17989 [0,1,0,0,0,1|2,0,0]=4 1207 B11R1.36 CN(C)C(=O)c1ccccc1 A18766 [0,1,0,0,0,1|2,0,0]=4 1208 B11R1.36 CN(c1ccccc1)C(=S)N B20824 [0,1,0,0,0,1|1,1,0]=4 1209 B11R1.36 C[C@@H](c1ccccc1)C(=O)O L08802 [0,1,0,0,0,1|1,0,0]=3 1210 B11R1.36 C[C@H](c1ccccc1)C(=O)O A17639 [0,1,0,0,0,1|1,0,0]=3 1211 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [0,1,0,0,0,1|1,0,0]=3 1212 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [0,1,0,0,0,1|1,0,0]=3 1213 B11R1.36 c1ccc(cc1)C(C(=O)O)F L01745 [0,1,0,0,0,1|1,0,0]=3 1214 B11R1.36 c1ccc(cc1)C(C(=O)O)N B21129 [0,1,0,0,0,1|1,0,0]=3 1215 B11R1.36 c1ccc(cc1)C(C(=O)O)O A14223 [0,1,0,0,0,1|1,0,0]=3 1216 B11R1.36 c1ccc(cc1)[C@@H](C(=O)Cl)N H56828 [0,1,0,0,0,1|1,0,0]=3 1217 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [0,1,0,0,0,1|1,0,0]=3 1218 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A15669 [0,1,0,0,0,1|1,0,0]=3 1219 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A19360 [0,1,0,0,0,1|1,0,0]=3 1220 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O A15061 [0,1,0,0,0,1|1,0,0]=3 1221 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O A14767 [0,1,0,0,0,1|1,0,0]=3 1222 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O L19116 [0,1,0,0,0,1|1,0,0]=3 1223 B11R1.40 C=CC(=O)Oc1ccccc1 L11819 [0,1,0,0,0,1|0,0,1]=3 1224 B11R1.40 CC(CN)Oc1ccccc1 H50720 [0,1,0,0,0,1|1,0,1]=4 1225 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [0,1,0,0,0,1|0,0,0]=2 1226 B11R1.40 CCN(C)Cc1ccccc1 L08520 [0,1,0,0,0,1|2,0,0]=4 1227 B11R1.40 COC(=O)Cc1ccccc1 A15537 [0,1,0,0,0,1|0,0,0]=2 1228 B11R1.40 COC(=O)Nc1cccnc1 H63484 [0,1,0,0,0,1|1,0,0]=3 1229 B11R1.40 COC(=O)Oc1ccccc1 B25232 [0,1,0,0,0,1|0,0,0]=2 1230 B11R1.40 C\C(=C/c1ccccc1)\C=O A10429 [0,1,0,0,0,1|0,0,0]=2 1231 B11R1.40 c1ccc(cc1)CC(CO)N H63562 [0,1,0,0,0,1|1,0,1]=4 1232 B11R1.40 c1ccc(cc1)C[C@@H](CO)N A11586 [0,1,0,0,0,1|1,0,1]=4 1233 B11R1.40 c1ccc(cc1)C[C@H](CO)N L09697 [0,1,0,0,0,1|1,0,1]=4 1234 B11R1.40 c1ccc(cc1)C\C(=N\O)\N H58835 [0,1,0,0,0,1|1,0,1]=4 1235 B11R1.40 c1ccc(cc1)NC(=O)NN B25578 [0,1,0,0,0,1|1,0,0]=3 1236 B11R1.40 c1ccc(cc1)NC(=S)NN A15349 [0,1,0,0,0,1|1,1,0]=4 1237 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [0,1,0,0,0,1|0,0,0]=2 1238 B11R1.40 c1ccc(cc1)\C=C(\C=O)/Br A14230 [0,1,0,0,0,1|1,0,0]=3 1239 B11R1.86 CC(=O)Cc1ccccc1Cl L09846 [0,1,0,0,0,1|0,0,0]=2 1240 B11R1.86 CC(=O)Cc1ccccc1F H61535 [0,1,0,0,0,1|0,0,0]=2 1241 B11R1.86 CC(=O)Nc1ccccc1Br L20132 [0,1,0,0,0,1|0,0,0]=2 1242 B11R1.86 CC(=O)Nc1ccccc1Cl A14711 [0,1,0,0,0,1|0,0,0]=2 1243 B11R1.86 CC(=O)Nc1ccccc1F A16927 [0,1,0,0,0,1|0,0,0]=2 1244 B11R1.86 CC(=O)Nc1ccccc1N H27343 [0,1,0,0,0,1|0,0,0]=2 1245 B11R1.86 CC(=O)Nc1ccccc1O B21264 [0,1,0,0,0,1|0,0,0]=2 1246 B11R1.86 CC(C)Oc1ccccc1Br B25688 [0,1,0,0,0,1|1,0,1]=4 1247 B11R1.86 CC(C)Oc1ccccc1O L07360 [0,1,0,0,0,1|1,0,1]=4 1248 B11R1.86 CC(Cc1ccccc1F)N H50999 [0,1,0,0,0,1|1,0,1]=4 1249 B11R1.86 Cc1ccccc1CC(=O)Cl H37418 [0,1,0,0,0,1|1,0,0]=3 1250 B11R1.86 Cc1ccccc1CC(=O)O A15783 [0,1,0,0,0,1|1,0,0]=3 1251 B11R1.86 Cc1ccccc1CC(=S)N H33111 [0,1,0,0,0,1|1,1,0]=4 1252 B11R1.86 Cc1ccccc1NC(=O)C A13235 [0,1,0,0,0,1|0,0,0]=2 1253 B11R1.86 Cc1ccccc1NC(=O)N B23086 [0,1,0,0,0,1|1,0,0]=3 1254 B11R1.86 Cc1ccccc1NC(=S)N B22350 [0,1,0,0,0,1|1,1,0]=4 1255 B11R1.86 c1ccc(c(c1)CC(=O)O)Br A16900 [0,1,0,0,0,1|1,0,0]=3 1256 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [0,1,0,0,0,1|1,0,0]=3 1257 B11R1.86 c1ccc(c(c1)CC(=O)O)F A10596 [0,1,0,0,0,1|1,0,0]=3 1258 B11R1.86 c1ccc(c(c1)CC(=O)O)I L15116 [0,1,0,0,0,1|1,0,0]=3 1259 B11R1.86 c1ccc(c(c1)CC(=O)O)O A13924 [0,1,0,0,0,1|1,0,0]=3 1260 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl H26685 [0,1,0,0,0,1|1,1,0]=4 1261 B11R1.86 c1ccc(c(c1)NC(=O)N)F L01247 [0,1,0,0,0,1|1,0,0]=3 1262 B11R1.86 c1ccc(c(c1)NC(=S)N)Br L10098 [0,1,0,0,0,1|1,1,0]=4 1263 B11R1.86 c1ccc(c(c1)NC(=S)N)Cl L05711 [0,1,0,0,0,1|1,1,0]=4 1264 B11R1.86 c1ccc(c(c1)NC(=S)N)F B20883 [0,1,0,0,0,1|1,1,0]=4 1265 B11R1.86 c1ccc(c(c1)NC(=S)N)O L10519 [0,1,0,0,0,1|1,1,0]=4 1266 B11R1.157 CC(=O)Cc1cccc(c1)F B22061 [0,1,0,0,0,1|0,0,0]=2 1267 B11R1.157 CC(=O)Nc1cc[nH]c(=O)n1 B20851 [0,1,0,0,0,1|2,0,0]=4 1268 B11R1.157 CC(=O)Nc1cccc(c1)Cl A14921 [0,1,0,0,0,1|0,0,0]=2 1269 B11R1.157 CC(=O)Nc1cccc(c1)F B22889 [0,1,0,0,0,1|0,0,0]=2 1270 B11R1.157 CC(=O)Nc1cccc(c1)N H60629 [0,1,0,0,0,1|0,0,0]=2 1271 B11R1.157 CC(=O)Nc1cccc(c1)O A12764 [0,1,0,0,0,1|0,0,0]=2 1272 B11R1.157 CC(=O)Oc1cccc(c1)F L13465 [0,1,0,0,0,1|0,0,0]=2 1273 B11R1.157 CC(C)Oc1cccc(c1)Br L13802 [0,1,0,0,0,1|1,0,1]=4 1274 B11R1.157 Cc1cccc(c1)CC(=O)Cl H37453 [0,1,0,0,0,1|1,0,0]=3 1275 B11R1.157 Cc1cccc(c1)CC(=O)O A17743 [0,1,0,0,0,1|1,0,0]=3 1276 B11R1.157 Cc1cccc(c1)CC(=S)N H33031 [0,1,0,0,0,1|1,1,0]=4 1277 B11R1.157 Cc1cccc(c1)NC(=O)N B20749 [0,1,0,0,0,1|1,0,0]=3 1278 B11R1.157 Cc1cccc(c1)OC(=O)C L14602 [0,1,0,0,0,1|0,0,0]=2 1279 B11R1.157 Cc1cccc(n1)NC(=O)C H32034 [0,1,0,0,0,1|1,0,0]=3 1280 B11R1.157 c1c(cncc1Br)CC(=O)O L13579 [0,1,0,0,0,1|2,0,0]=4 1281 B11R1.157 c1cc(cc(c1)Br)CC(=O)O B20758 [0,1,0,0,0,1|1,0,0]=3 1282 B11R1.157 c1cc(cc(c1)Br)NC(=O)N L11370 [0,1,0,0,0,1|1,0,0]=3 1283 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O A11210 [0,1,0,0,0,1|1,0,0]=3 1284 B11R1.157 c1cc(cc(c1)Cl)CC(=S)N H32426 [0,1,0,0,0,1|1,1,0]=4 1285 B11R1.157 c1cc(cc(c1)Cl)NC(=S)N L07123 [0,1,0,0,0,1|1,1,0]=4 1286 B11R1.157 c1cc(cc(c1)F)CC(=O)O A15635 [0,1,0,0,0,1|1,0,0]=3 1287 B11R1.157 c1cc(cc(c1)F)NC(=S)N L09538 [0,1,0,0,0,1|1,1,0]=4 1288 B11R1.157 c1cc(cc(c1)I)CC(=O)O L15117 [0,1,0,0,0,1|1,0,0]=3 1289 B11R1.157 c1cc(cc(c1)O)CC(=O)O B23563 [0,1,0,0,0,1|1,0,0]=3 1290 B11R1.157 c1cc(cc(c1)O)NC(=S)N L09975 [0,1,0,0,0,1|1,1,0]=4 1291 B11R1.509 CC(C)(C)Cc1ccccc1 A12941 [0,1,0,0,0,1|1,0,1]=4 1292 B11R1.509 CC(C)(C)Oc1ccccc1 H27689 [0,1,0,0,0,1|1,0,1]=4 1293 B11R1.509 CC(C)(Cc1ccccc1)O L03679 [0,1,0,0,0,1|0,0,2]=4 1294 B11R1.509 CS(=O)(=O)Cc1ccccc1 L04233 [0,1,0,0,0,1|1,0,0]=3 1295 B11R1.509 CS(=O)(=O)Oc1ccccc1 H55995 [0,1,0,0,0,1|1,0,0]=3 1296 B11R1.509 C[N+](C)(C)Cc1ccccc1 41717 [0,1,0,0,0,1|2,0,0]=4 1297 B11R1.509 C[N+](C)(C)Cc1ccccc1 43474 [0,1,0,0,0,1|2,0,0]=4 1298 B11R1.509 C[N+](C)(C)Cc1ccccc1 47189 [0,1,0,0,0,1|2,0,0]=4 1299 B11R1.509 C[N+](C)(C)Cc1ccccc1 A14927 [0,1,0,0,0,1|2,0,0]=4 1300 B11R1.509 C[N+](C)(C)Cc1ccccc1 A16759 [0,1,0,0,0,1|2,0,0]=4 1301 B11R1.509 C[N+](C)(C)Cc1ccccc1 A16840 [0,1,0,0,0,1|2,0,0]=4 1302 B11R1.509 C[N+](C)(C)Cc1ccccc1 B20812 [0,1,0,0,0,1|2,0,0]=4 1303 B11R1.509 C[N+](C)(C)Cc1ccccc1 B22892 [0,1,0,0,0,1|2,0,0]=4 1304 B11R1.509 C[N+](C)(C)Cc1ccccc1 B23520 [0,1,0,0,0,1|2,0,0]=4 1305 B11R1.509 C[N+](C)(C)Cc1ccccc1 B24470 [0,1,0,0,0,1|2,0,0]=4 1306 B11R1.509 C[Si](C)(C)Cc1ccccc1 A13191 [0,1,0,0,0,1|1,1,0]=4 1307 B11R1.509 C[Si](C)(C)Sc1ccccc1 L06319 [0,1,0,0,0,1|1,1,0]=4 1308 B11R1.509 c1ccc(cc1)CP(=O)(O)O A13850 [0,1,0,0,0,1|2,0,0]=4 1309 B11R1.509 c1ccc(cc1)CS(=O)(=O)Cl A10124 [0,1,0,0,0,1|2,0,0]=4 1310 B11R1.509 c1ccc(cc1)CS(=O)(=O)F B22146 [0,1,0,0,0,1|2,0,0]=4 1311 B11R1.509 c1ccc(cc1)CS(=O)(=O)N A16740 [0,1,0,0,0,1|2,0,0]=4 1312 B11R1.509 c1ccc(cc1)OP(=O)(Cl)Cl A10479 [0,1,0,0,0,1|2,0,0]=4 1313 B11R1.509 c1ccc(cc1)OP(=O)(N)N A13562 [0,1,0,0,0,1|2,0,0]=4 1314 B11R1.509 c1ccc(cc1)OP(=O)([O-])[O-] 44711 [0,1,0,0,0,1|2,0,0]=4 1315 B11R1.3 C#Cc1ccc(cc1)C(=O)[O-] L19292 [0,2,0,0,0,0|1,0,0]=3 1316 B11R1.3 C=Cc1ccc(cc1)C(=O)O A11107 [0,2,0,0,0,0|1,0,0]=3 1317 B11R1.3 C=Cc1ccc(cc1)[N+](=O)[O-] H30118 [0,2,0,0,0,0|2,0,0]=4 1318 B11R1.3 CC(=O)c1ccc(cc1)C#N A14271 [0,2,0,0,0,0|0,0,0]=2 1319 B11R1.3 CC(=O)c1ccc(cc1)NC H55301 [0,2,0,0,0,0|0,0,0]=2 1320 B11R1.3 CC(=O)c1ccc(cc1)OC A11162 [0,2,0,0,0,0|0,0,0]=2 1321 B11R1.3 CC(=O)c1ccc(cc1)SC L18074 [0,2,0,0,0,0|0,0,0]=2 1322 B11R1.3 CC(C)c1ccc(cc1)C#N A11954 [0,2,0,0,0,0|1,0,1]=4 1323 B11R1.3 CC(C)c1ccc(cc1)C=O A14019 [0,2,0,0,0,0|1,0,1]=4 1324 B11R1.3 CC(C)c1ccc(cc1)CCl L11839 [0,2,0,0,0,0|1,0,1]=4 1325 B11R1.3 CC(C)c1ccc(cc1)CN H54044 [0,2,0,0,0,0|1,0,1]=4 1326 B11R1.3 CC(C)c1ccc(cc1)CO A12172 [0,2,0,0,0,0|1,0,1]=4 1327 B11R1.3 CC(C)c1ccc(cc1)NN A12416 [0,2,0,0,0,0|1,0,1]=4 1328 B11R1.3 CC(C)c1ccc(cc1)OC A16970 [0,2,0,0,0,0|1,0,1]=4 1329 B11R1.3 CC(C)c1ccc(cc1)OO L06866 [0,2,0,0,0,0|1,0,1]=4 1330 B11R1.3 CC(c1ccc(cc1)OC)O L12062 [0,2,0,0,0,0|0,0,2]=4 1331 B11R1.3 CCc1ccc(cc1)C(=O)C B21557 [0,2,0,0,0,0|0,0,0]=2 1332 B11R1.3 CCc1ccc(cc1)C(=O)Cl A11698 [0,2,0,0,0,0|1,0,0]=3 1333 B11R1.3 CCc1ccc(cc1)C(=O)N L08339 [0,2,0,0,0,0|1,0,0]=3 1334 B11R1.3 CCc1ccc(cc1)C(=O)O A10235 [0,2,0,0,0,0|1,0,0]=3 1335 B11R1.3 CCc1ccc(cc1)C(=S)N H52265 [0,2,0,0,0,0|1,1,0]=4 1336 B11R1.3 CN(C)c1ccc(cc1)C#N A13117 [0,2,0,0,0,0|2,0,0]=4 1337 B11R1.3 CN(C)c1ccc(cc1)C=O 36684 [0,2,0,0,0,0|2,0,0]=4 1338 B11R1.3 CN(C)c1ccc(cc1)C=O A11712 [0,2,0,0,0,0|2,0,0]=4 1339 B11R1.3 CN(C)c1ccc(cc1)N=O A18301 [0,2,0,0,0,0|2,0,0]=4 1340 B11R1.3 CNc1ccc(cc1)C(=O)O A12426 [0,2,0,0,0,0|1,0,0]=3 1341 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] A15548 [0,2,0,0,0,0|2,0,0]=4 1342 B11R1.3 COc1ccc(cc1)C(=O)Cl L13120 [0,2,0,0,0,0|1,0,0]=3 1343 B11R1.3 COc1ccc(cc1)C(=O)N B22614 [0,2,0,0,0,0|1,0,0]=3 1344 B11R1.3 COc1ccc(cc1)C(=O)O A15697 [0,2,0,0,0,0|1,0,0]=3 1345 B11R1.3 COc1ccc(cc1)C(=S)N L10945 [0,2,0,0,0,0|1,1,0]=4 1346 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] A19152 [0,2,0,0,0,0|2,0,0]=4 1347 B11R1.3 CSc1ccc(cc1)C(=O)O B25706 [0,2,0,0,0,0|1,0,0]=3 1348 B11R1.3 CSc1ccc(cc1)C(=S)N H51848 [0,2,0,0,0,0|1,1,0]=4 1349 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] B20339 [0,2,0,0,0,0|2,0,0]=4 1350 B11R1.3 C[C@@H](c1ccc(cc1)OC)N L16322 [0,2,0,0,0,0|1,0,1]=4 1351 B11R1.3 C[C@H](c1ccc(cc1)OC)N L16321 [0,2,0,0,0,0|1,0,1]=4 1352 B11R1.3 c1cc(ccc1C#N)C(=O)Cl B24333 [0,2,0,0,0,0|1,0,0]=3 1353 B11R1.3 c1cc(ccc1C#N)C(=O)N B25600 [0,2,0,0,0,0|1,0,0]=3 1354 B11R1.3 c1cc(ccc1C#N)C(=O)O A15434 [0,2,0,0,0,0|1,0,0]=3 1355 B11R1.3 c1cc(ccc1C#N)[N+](=O)[O-] A12783 [0,2,0,0,0,0|2,0,0]=4 1356 B11R1.3 c1cc(ccc1C(=O)O)NN A13874 [0,2,0,0,0,0|1,0,0]=3 1357 B11R1.3 c1cc(ccc1C(=O)O)NN B20326 [0,2,0,0,0,0|1,0,0]=3 1358 B11R1.3 c1cc(ccc1C=O)C(=O)O A15277 [0,2,0,0,0,0|1,0,0]=3 1359 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] A11655 [0,2,0,0,0,0|2,0,0]=4 1360 B11R1.3 c1cc(ccc1CBr)C(=O)Br H37682 [0,2,0,0,0,0|1,0,0]=3 1361 B11R1.3 c1cc(ccc1CBr)C(=O)O L03371 [0,2,0,0,0,0|1,0,0]=3 1362 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] A15236 [0,2,0,0,0,0|2,0,0]=4 1363 B11R1.3 c1cc(ccc1CCl)C(=O)O B22275 [0,2,0,0,0,0|1,0,0]=3 1364 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] A15749 [0,2,0,0,0,0|2,0,0]=4 1365 B11R1.3 c1cc(ccc1CN)C(=O)O B23519 [0,2,0,0,0,0|1,0,0]=3 1366 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] B21748 [0,2,0,0,0,0|2,0,0]=4 1367 B11R1.3 c1cc(ccc1CO)C(=O)O B22183 [0,2,0,0,0,0|1,0,0]=3 1368 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] A15742 [0,2,0,0,0,0|2,0,0]=4 1369 B11R1.3 c1cc(ccc1[N+]#N)[N+](=O)[O-] H55315 [0,2,0,0,0,0|2,0,0]=4 1370 B11R1.3 c1cc(ncc1C#N)C(=O)O H33722 [0,2,0,0,0,0|2,0,0]=4 1371 B11R1.3 c1cc(ncc1C(=O)O)C#N L17127 [0,2,0,0,0,0|2,0,0]=4 1372 B11R1.19 CC(C)(C)c1ccc(cc1)Br A15924 [0,2,0,0,0,0|1,0,1]=4 1373 B11R1.19 CC(C)(C)c1ccc(cc1)I L11603 [0,2,0,0,0,0|1,0,1]=4 1374 B11R1.19 CC(C)(C)c1ccc(cc1)N A10925 [0,2,0,0,0,0|1,0,1]=4 1375 B11R1.19 CC(C)(C)c1ccc(cc1)O A15871 [0,2,0,0,0,0|1,0,1]=4 1376 B11R1.19 CC(C)(C)c1ccc(cc1)S A12148 [0,2,0,0,0,0|1,0,1]=4 1377 B11R1.19 CC(C)(C)c1ccc(cc1)S H28235 [0,2,0,0,0,0|1,0,1]=4 1378 B11R1.19 CC(C)(C)c1ccc(cc1)[Mg+] H54284 [0,2,0,0,0,0|1,0,1]=4 1379 B11R1.19 CC(C)(c1ccc(cc1)Br)O H64919 [0,2,0,0,0,0|0,0,2]=4 1380 B11R1.19 CC(C)(c1ccc(cc1)Cl)N H32527 [0,2,0,0,0,0|1,0,1]=4 1381 B11R1.19 CC(C)(c1ccc(cc1)N)N H35819 [0,2,0,0,0,0|1,0,1]=4 1382 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br A11427 [0,2,0,0,0,0|1,0,0]=3 1383 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl A15429 [0,2,0,0,0,0|1,0,0]=3 1384 B11R1.19 CS(=O)(=O)c1ccc(cc1)F A12863 [0,2,0,0,0,0|1,0,0]=3 1385 B11R1.19 CS(=O)(=O)c1ccc(cc1)N B23202 [0,2,0,0,0,0|1,0,0]=3 1386 B11R1.19 CS(=O)(=O)c1ccc(cc1)N H64697 [0,2,0,0,0,0|1,0,0]=3 1387 B11R1.19 CS(=O)(=O)c1ccc(cc1)O H32935 [0,2,0,0,0,0|1,0,0]=3 1388 B11R1.19 Cc1ccc(cc1)C(C)(C)C A18214 [0,2,0,0,0,0|1,0,1]=4 1389 B11R1.19 Cc1ccc(cc1)C(C)(C)N H66232 [0,2,0,0,0,0|1,0,1]=4 1390 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C A11531 [0,2,0,0,0,0|1,0,0]=3 1391 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Cl A14547 [0,2,0,0,0,0|2,0,0]=4 1392 B11R1.19 Cc1ccc(cc1)S(=O)(=O)F L12204 [0,2,0,0,0,0|2,0,0]=4 1393 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N A12156 [0,2,0,0,0,0|2,0,0]=4 1394 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 36506 [0,2,0,0,0,0|2,0,0]=4 1395 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 44002 [0,2,0,0,0,0|2,0,0]=4 1396 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O A14119 [0,2,0,0,0,0|2,0,0]=4 1397 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O B23279 [0,2,0,0,0,0|2,0,0]=4 1398 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O H52410 [0,2,0,0,0,0|2,0,0]=4 1399 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O H52729 [0,2,0,0,0,0|2,0,0]=4 1400 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O H56018 [0,2,0,0,0,0|2,0,0]=4 1401 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O L09001 [0,2,0,0,0,0|2,0,0]=4 1402 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O L19755 [0,2,0,0,0,0|2,0,0]=4 1403 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] 20899 [0,2,0,0,0,0|2,0,0]=4 1404 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] A15708 [0,2,0,0,0,0|2,0,0]=4 1405 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] A17073 [0,2,0,0,0,0|2,0,0]=4 1406 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] A19332 [0,2,0,0,0,0|2,0,0]=4 1407 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] B21929 [0,2,0,0,0,0|2,0,0]=4 1408 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] H55218 [0,2,0,0,0,0|2,0,0]=4 1409 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] L00307 [0,2,0,0,0,0|2,0,0]=4 1410 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] L11088 [0,2,0,0,0,0|2,0,0]=4 1411 B11R1.19 Cc1ccc(cc1)[Si](C)(C)C A17884 [0,2,0,0,0,0|1,1,0]=4 1412 B11R1.19 c1cc(ccc1F)S(=O)(=O)Cl L07299 [0,2,0,0,0,0|2,0,0]=4 1413 B11R1.19 c1cc(ccc1F)S(=O)(=O)N H55834 [0,2,0,0,0,0|2,0,0]=4 1414 B11R1.19 c1cc(ccc1N)S(=O)(=O)N A13001 [0,2,0,0,0,0|2,0,0]=4 1415 B11R1.19 c1cc(ccc1N)S(=O)(=O)O 41540 [0,2,0,0,0,0|2,0,0]=4 1416 B11R1.19 c1cc(ccc1N)S(=O)(=O)O A15825 [0,2,0,0,0,0|2,0,0]=4 1417 B11R1.19 c1cc(ccc1N)[As](=O)(O)O B24595 [0,2,0,0,0,0|2,0,0]=4 1418 B11R1.19 c1cc(ccc1O)S(=O)(=O)O H59917 [0,2,0,0,0,0|2,0,0]=4 1419 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] A14808 [0,2,0,0,0,0|2,0,0]=4 1420 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)Br A15909 [0,2,0,0,0,0|2,0,0]=4 1421 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)Cl A10271 [0,2,0,0,0,0|2,0,0]=4 1422 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)I B24416 [0,2,0,0,0,0|2,0,0]=4 1423 B11R1.19 c1cc(ccc1S(=O)(=O)N)Br L08602 [0,2,0,0,0,0|2,0,0]=4 1424 B11R1.19 c1cc(ccc1S(=O)(=O)N)Cl A16735 [0,2,0,0,0,0|2,0,0]=4 1425 B11R1.21 CC(=O)c1ccc(c(c1)Br)F B22091 [0,2,0,0,0,0|0,0,0]=2 1426 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl A13568 [0,2,0,0,0,0|0,0,0]=2 1427 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F A15158 [0,2,0,0,0,0|0,0,0]=2 1428 B11R1.21 CC(=O)c1ccc(c(c1)F)Br H62040 [0,2,0,0,0,0|0,0,0]=2 1429 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl H26373 [0,2,0,0,0,0|0,0,0]=2 1430 B11R1.21 CC(=O)c1ccc(c(c1)F)F A15832 [0,2,0,0,0,0|0,0,0]=2 1431 B11R1.21 CC(=O)c1ccc(c(c1)F)O L19892 [0,2,0,0,0,0|0,0,0]=2 1432 B11R1.21 CC(=O)c1ccc(c(c1)O)F H32965 [0,2,0,0,0,0|0,0,0]=2 1433 B11R1.21 CC(C)c1ccc(c(c1)Br)N A14995 [0,2,0,0,0,0|1,0,1]=4 1434 B11R1.21 Cc1cc(ccc1Br)C(=O)Cl L16157 [0,2,0,0,0,0|1,0,0]=3 1435 B11R1.21 Cc1cc(ccc1Br)C(=O)N L16176 [0,2,0,0,0,0|1,0,0]=3 1436 B11R1.21 Cc1cc(ccc1Br)C(=O)O A14302 [0,2,0,0,0,0|1,0,0]=3 1437 B11R1.21 Cc1cc(ccc1Br)[N+](=O)[O-] A15450 [0,2,0,0,0,0|2,0,0]=4 1438 B11R1.21 Cc1cc(ccc1Cl)C(=O)C L06011 [0,2,0,0,0,0|0,0,0]=2 1439 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl H66109 [0,2,0,0,0,0|1,0,0]=3 1440 B11R1.21 Cc1cc(ccc1Cl)C(=O)O L08533 [0,2,0,0,0,0|1,0,0]=3 1441 B11R1.21 Cc1cc(ccc1Cl)[N+](=O)[O-] L10832 [0,2,0,0,0,0|2,0,0]=4 1442 B11R1.21 Cc1cc(ccc1F)C(=O)C H32499 [0,2,0,0,0,0|0,0,0]=2 1443 B11R1.21 Cc1cc(ccc1F)C(=O)Cl B23188 [0,2,0,0,0,0|1,0,0]=3 1444 B11R1.21 Cc1cc(ccc1F)C(=O)O B24112 [0,2,0,0,0,0|1,0,0]=3 1445 B11R1.21 Cc1cc(ccc1F)C(=S)N H33778 [0,2,0,0,0,0|1,1,0]=4 1446 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] A14649 [0,2,0,0,0,0|2,0,0]=4 1447 B11R1.21 Cc1cc(ccc1I)[N+](=O)[O-] L07842 [0,2,0,0,0,0|2,0,0]=4 1448 B11R1.21 Cc1cc(ccc1N)C(=O)O B24579 [0,2,0,0,0,0|1,0,0]=3 1449 B11R1.21 Cc1cc(ccc1N)C(=S)N H58969 [0,2,0,0,0,0|1,1,0]=4 1450 B11R1.21 Cc1cc(ccc1N)[N+](=O)[O-] A15941 [0,2,0,0,0,0|2,0,0]=4 1451 B11R1.21 Cc1cc(ccc1O)C(=O)C A18540 [0,2,0,0,0,0|0,0,0]=2 1452 B11R1.21 Cc1cc(ccc1O)C(=O)O H27792 [0,2,0,0,0,0|1,0,0]=3 1453 B11R1.21 Cc1ccc(cc1Br)C(=O)O A11496 [0,2,0,0,0,0|1,0,0]=3 1454 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] A14865 [0,2,0,0,0,0|2,0,0]=4 1455 B11R1.21 Cc1ccc(cc1C)C(=O)C A12187 [0,2,0,0,0,0|0,0,0]=2 1456 B11R1.21 Cc1ccc(cc1C)C(=O)N A11995 [0,2,0,0,0,0|1,0,0]=3 1457 B11R1.21 Cc1ccc(cc1C)C(=O)O A19260 [0,2,0,0,0,0|1,0,0]=3 1458 B11R1.21 Cc1ccc(cc1C)C(=S)N H51793 [0,2,0,0,0,0|1,1,0]=4 1459 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] L05342 [0,2,0,0,0,0|2,0,0]=4 1460 B11R1.21 Cc1ccc(cc1Cl)C(=O)O B21228 [0,2,0,0,0,0|1,0,0]=3 1461 B11R1.21 Cc1ccc(cc1Cl)[N+](=O)[O-] B23542 [0,2,0,0,0,0|2,0,0]=4 1462 B11R1.21 Cc1ccc(cc1F)C(=O)C B24108 [0,2,0,0,0,0|0,0,0]=2 1463 B11R1.21 Cc1ccc(cc1F)C(=O)Cl B22846 [0,2,0,0,0,0|1,0,0]=3 1464 B11R1.21 Cc1ccc(cc1F)C(=O)O A12981 [0,2,0,0,0,0|1,0,0]=3 1465 B11R1.21 Cc1ccc(cc1F)C(=S)N H26479 [0,2,0,0,0,0|1,1,0]=4 1466 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] A14464 [0,2,0,0,0,0|2,0,0]=4 1467 B11R1.21 Cc1ccc(cc1I)C(=O)O A14197 [0,2,0,0,0,0|1,0,0]=3 1468 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] B21491 [0,2,0,0,0,0|2,0,0]=4 1469 B11R1.21 Cc1ccc(cc1N)C(=O)N B25367 [0,2,0,0,0,0|1,0,0]=3 1470 B11R1.21 Cc1ccc(cc1N)C(=O)O A12674 [0,2,0,0,0,0|1,0,0]=3 1471 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] A17726 [0,2,0,0,0,0|2,0,0]=4 1472 B11R1.21 Cc1ccc(cc1O)C(=O)O B21501 [0,2,0,0,0,0|1,0,0]=3 1473 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] B20472 [0,2,0,0,0,0|2,0,0]=4 1474 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O H32384 [0,2,0,0,0,0|2,0,0]=4 1475 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O B25586 [0,2,0,0,0,0|2,0,0]=4 1476 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O A15737 [0,2,0,0,0,0|2,0,0]=4 1477 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl A17006 [0,2,0,0,0,0|1,0,0]=3 1478 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F B20217 [0,2,0,0,0,0|1,0,0]=3 1479 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F L08188 [0,2,0,0,0,0|1,0,0]=3 1480 B11R1.21 c1cc(c(cc1C(=O)N)Br)F H59709 [0,2,0,0,0,0|1,0,0]=3 1481 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl A13878 [0,2,0,0,0,0|1,0,0]=3 1482 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F A14392 [0,2,0,0,0,0|1,0,0]=3 1483 B11R1.21 c1cc(c(cc1C(=O)N)F)Br H59993 [0,2,0,0,0,0|1,0,0]=3 1484 B11R1.21 c1cc(c(cc1C(=O)N)F)F A19957 [0,2,0,0,0,0|1,0,0]=3 1485 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl B25294 [0,2,0,0,0,0|1,0,0]=3 1486 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl L19244 [0,2,0,0,0,0|1,0,0]=3 1487 B11R1.21 c1cc(c(cc1C(=O)O)Br)F B24711 [0,2,0,0,0,0|1,0,0]=3 1488 B11R1.21 c1cc(c(cc1C(=O)O)Br)O B21338 [0,2,0,0,0,0|1,0,0]=3 1489 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br H27252 [0,2,0,0,0,0|1,0,0]=3 1490 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl A15873 [0,2,0,0,0,0|1,0,0]=3 1491 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F A12814 [0,2,0,0,0,0|1,0,0]=3 1492 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N H55590 [0,2,0,0,0,0|1,0,0]=3 1493 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O A12134 [0,2,0,0,0,0|1,0,0]=3 1494 B11R1.21 c1cc(c(cc1C(=O)O)F)Br B25475 [0,2,0,0,0,0|1,0,0]=3 1495 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl H26161 [0,2,0,0,0,0|1,0,0]=3 1496 B11R1.21 c1cc(c(cc1C(=O)O)F)F A15876 [0,2,0,0,0,0|1,0,0]=3 1497 B11R1.21 c1cc(c(cc1C(=O)O)F)I H61724 [0,2,0,0,0,0|1,0,0]=3 1498 B11R1.21 c1cc(c(cc1C(=O)O)F)N H26092 [0,2,0,0,0,0|1,0,0]=3 1499 B11R1.21 c1cc(c(cc1C(=O)O)F)O B22160 [0,2,0,0,0,0|1,0,0]=3 1500 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl H33513 [0,2,0,0,0,0|1,0,0]=3 1501 B11R1.21 c1cc(c(cc1C(=O)O)I)F H33762 [0,2,0,0,0,0|1,0,0]=3 1502 B11R1.21 c1cc(c(cc1C(=O)O)I)N H32263 [0,2,0,0,0,0|1,0,0]=3 1503 B11R1.21 c1cc(c(cc1C(=O)O)N)Br H60627 [0,2,0,0,0,0|1,0,0]=3 1504 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl A12671 [0,2,0,0,0,0|1,0,0]=3 1505 B11R1.21 c1cc(c(cc1C(=O)O)N)F H61233 [0,2,0,0,0,0|1,0,0]=3 1506 B11R1.21 c1cc(c(cc1C(=O)O)N)N A14213 [0,2,0,0,0,0|1,0,0]=3 1507 B11R1.21 c1cc(c(cc1C(=O)O)N)O A13487 [0,2,0,0,0,0|1,0,0]=3 1508 B11R1.21 c1cc(c(cc1C(=O)O)O)F B25340 [0,2,0,0,0,0|1,0,0]=3 1509 B11R1.21 c1cc(c(cc1C(=O)O)O)I H27502 [0,2,0,0,0,0|1,0,0]=3 1510 B11R1.21 c1cc(c(cc1C(=O)O)O)N A10207 [0,2,0,0,0,0|1,0,0]=3 1511 B11R1.21 c1cc(c(cc1C(=O)O)O)O B24016 [0,2,0,0,0,0|1,0,0]=3 1512 B11R1.21 c1cc(c(cc1C(=S)N)Cl)Cl H34280 [0,2,0,0,0,0|1,1,0]=4 1513 B11R1.21 c1cc(c(cc1C(=S)N)Cl)F L11132 [0,2,0,0,0,0|1,1,0]=4 1514 B11R1.21 c1cc(c(cc1C(=S)N)F)F H54564 [0,2,0,0,0,0|1,1,0]=4 1515 B11R1.21 c1cc(c(cc1C(=S)N)O)O H54875 [0,2,0,0,0,0|1,1,0]=4 1516 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)F H64045 [0,2,0,0,0,0|2,0,0]=4 1517 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)Br L07573 [0,2,0,0,0,0|2,0,0]=4 1518 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)Cl A10620 [0,2,0,0,0,0|2,0,0]=4 1519 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)F A16183 [0,2,0,0,0,0|2,0,0]=4 1520 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)I A19340 [0,2,0,0,0,0|2,0,0]=4 1521 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)N A16586 [0,2,0,0,0,0|2,0,0]=4 1522 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)O B21561 [0,2,0,0,0,0|2,0,0]=4 1523 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)Br H61494 [0,2,0,0,0,0|2,0,0]=4 1524 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)F A11060 [0,2,0,0,0,0|2,0,0]=4 1525 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)N H55174 [0,2,0,0,0,0|2,0,0]=4 1526 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)O A13134 [0,2,0,0,0,0|2,0,0]=4 1527 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Br L02597 [0,2,0,0,0,0|2,0,0]=4 1528 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Cl A15102 [0,2,0,0,0,0|2,0,0]=4 1529 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)F A17545 [0,2,0,0,0,0|2,0,0]=4 1530 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)N L04693 [0,2,0,0,0,0|2,0,0]=4 1531 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O A13964 [0,2,0,0,0,0|2,0,0]=4 1532 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)N B20870 [0,2,0,0,0,0|2,0,0]=4 1533 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O A12122 [0,2,0,0,0,0|2,0,0]=4 1534 B11R1.21 c1cc(nc(c1Cl)Cl)C(=O)O H64320 [0,2,0,0,0,0|2,0,0]=4 1535 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O H64734 [0,2,0,0,0,0|2,0,0]=4 1536 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [0,2,0,0,0,0|0,0,0]=2 1537 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [0,2,0,0,0,0|0,0,0]=2 1538 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [0,2,0,0,0,0|0,0,0]=2 1539 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [0,2,0,0,0,0|0,0,0]=2 1540 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [0,2,0,0,0,0|0,0,0]=2 1541 B11R1.22 CNC(=O)c1ccc(cc1)Br H57940 [0,2,0,0,0,0|0,0,0]=2 1542 B11R1.22 CNC(=O)c1ccc(cc1)F H57798 [0,2,0,0,0,0|0,0,0]=2 1543 B11R1.22 CNC(=O)c1ccc(cn1)Br H54947 [0,2,0,0,0,0|1,0,0]=3 1544 B11R1.22 COC(=O)c1ccc(=O)oc1 B25330 [0,2,0,0,0,0|1,0,0]=3 1545 B11R1.22 COC(=O)c1ccc(cc1)Br A15517 [0,2,0,0,0,0|0,0,0]=2 1546 B11R1.22 COC(=O)c1ccc(cc1)Cl A10109 [0,2,0,0,0,0|0,0,0]=2 1547 B11R1.22 COC(=O)c1ccc(cc1)F B21504 [0,2,0,0,0,0|0,0,0]=2 1548 B11R1.22 COC(=O)c1ccc(cc1)I A19342 [0,2,0,0,0,0|0,0,0]=2 1549 B11R1.22 COC(=O)c1ccc(cc1)N A11715 [0,2,0,0,0,0|0,0,0]=2 1550 B11R1.22 COC(=O)c1ccc(cc1)O A14289 [0,2,0,0,0,0|0,0,0]=2 1551 B11R1.22 COC(=O)c1ccc(cn1)Br B25415 [0,2,0,0,0,0|1,0,0]=3 1552 B11R1.22 COC(=O)c1ccc(nc1)Cl A10396 [0,2,0,0,0,0|1,0,0]=3 1553 B11R1.22 COC(=O)c1ccc(nc1)F H61302 [0,2,0,0,0,0|1,0,0]=3 1554 B11R1.22 COC(=O)c1ccc(nc1)N H27575 [0,2,0,0,0,0|1,0,0]=3 1555 B11R1.22 COC(=O)c1cnc(cn1)Br H66706 [0,2,0,0,0,0|2,0,0]=4 1556 B11R1.22 COC(=O)c1cnc(cn1)Cl H66306 [0,2,0,0,0,0|2,0,0]=4 1557 B11R1.22 COC(=O)c1ncc(cn1)Br H61339 [0,2,0,0,0,0|2,0,0]=4 1558 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [0,2,0,0,0,0|0,0,0]=2 1559 B11R1.22 Cc1ccc(cc1)C(=O)NC H56446 [0,2,0,0,0,0|0,0,0]=2 1560 B11R1.22 Cc1ccc(cc1)C(=O)NN A12604 [0,2,0,0,0,0|1,0,0]=3 1561 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [0,2,0,0,0,0|0,0,0]=2 1562 B11R1.22 Cc1ccc(cc1)\C(=N\O)\N H51704 [0,2,0,0,0,0|1,0,1]=4 1563 B11R1.22 Cc1ccc(cn1)C(=O)OC L12276 [0,2,0,0,0,0|1,0,0]=3 1564 B11R1.22 c1cc(ccc1C(=O)C=O)F L20272 [0,2,0,0,0,0|0,0,1]=3 1565 B11R1.22 c1cc(ccc1C(=O)CBr)Br A13687 [0,2,0,0,0,0|0,0,0]=2 1566 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [0,2,0,0,0,0|0,0,0]=2 1567 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [0,2,0,0,0,0|0,0,0]=2 1568 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [0,2,0,0,0,0|0,0,0]=2 1569 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [0,2,0,0,0,0|0,0,0]=2 1570 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [0,2,0,0,0,0|0,0,0]=2 1571 B11R1.22 c1cc(ccc1C(=O)NN)Br A18918 [0,2,0,0,0,0|1,0,0]=3 1572 B11R1.22 c1cc(ccc1C(=O)NN)Cl A11911 [0,2,0,0,0,0|1,0,0]=3 1573 B11R1.22 c1cc(ccc1C(=O)NN)F H53496 [0,2,0,0,0,0|1,0,0]=3 1574 B11R1.22 c1cc(ccc1C(=O)NN)N A10963 [0,2,0,0,0,0|1,0,0]=3 1575 B11R1.22 c1cc(ccc1C(=O)NN)O A12702 [0,2,0,0,0,0|1,0,0]=3 1576 B11R1.22 c1cc(ccc1\C(=N\O)\N)F H66567 [0,2,0,0,0,0|1,0,1]=4 1577 B11R1.22 c1cc(ccc1\C(=N\O)\N)N H51788 [0,2,0,0,0,0|1,0,1]=4 1578 B11R1.22 c1cc(ccc1\C(=N\O)\N)O H52148 [0,2,0,0,0,0|1,0,1]=4 1579 B11R1.166 CC(=O)c1c[nH]c(=O)[nH]c1=O 44378 [0,2,0,0,0,0|2,0,0]=4 1580 B11R1.166 CC(=O)c1ccc(cc1Br)Br H61181 [0,2,0,0,0,0|0,0,0]=2 1581 B11R1.166 CC(=O)c1ccc(cc1Br)F L19320 [0,2,0,0,0,0|0,0,0]=2 1582 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl A14428 [0,2,0,0,0,0|0,0,0]=2 1583 B11R1.166 CC(=O)c1ccc(cc1Cl)F L19880 [0,2,0,0,0,0|0,0,0]=2 1584 B11R1.166 CC(=O)c1ccc(cc1F)Br H62127 [0,2,0,0,0,0|0,0,0]=2 1585 B11R1.166 CC(=O)c1ccc(cc1F)F A13420 [0,2,0,0,0,0|0,0,0]=2 1586 B11R1.166 CC(=O)c1ccc(cc1F)O A19884 [0,2,0,0,0,0|0,0,0]=2 1587 B11R1.166 CC(=O)c1ccc(cc1O)Br H61137 [0,2,0,0,0,0|0,0,0]=2 1588 B11R1.166 CC(=O)c1ccc(cc1O)Cl H27309 [0,2,0,0,0,0|0,0,0]=2 1589 B11R1.166 CC(=O)c1ccc(cc1O)F A16030 [0,2,0,0,0,0|0,0,0]=2 1590 B11R1.166 CC(=O)c1ccc(cc1O)O A12066 [0,2,0,0,0,0|0,0,0]=2 1591 B11R1.166 CC(c1ccc(cc1Cl)F)O H31958 [0,2,0,0,0,0|0,0,2]=4 1592 B11R1.166 Cc1c(cnc(n1)N)C(=O)C B20262 [0,2,0,0,0,0|2,0,0]=4 1593 B11R1.166 Cc1cc(c(cn1)C(=O)O)O H66499 [0,2,0,0,0,0|2,0,0]=4 1594 B11R1.166 Cc1cc(ccc1C(=O)C)F H26823 [0,2,0,0,0,0|0,0,0]=2 1595 B11R1.166 Cc1cc(ccc1C(=O)O)Br L03071 [0,2,0,0,0,0|1,0,0]=3 1596 B11R1.166 Cc1cc(ccc1C(=O)O)Cl H27262 [0,2,0,0,0,0|1,0,0]=3 1597 B11R1.166 Cc1cc(ccc1C(=O)O)F H26801 [0,2,0,0,0,0|1,0,0]=3 1598 B11R1.166 Cc1cc(ccc1C(=O)O)N H31657 [0,2,0,0,0,0|1,0,0]=3 1599 B11R1.166 Cc1cc(ccc1C(=O)O)O H60810 [0,2,0,0,0,0|1,0,0]=3 1600 B11R1.166 Cc1cc(ccc1C(=S)N)Br H55421 [0,2,0,0,0,0|1,1,0]=4 1601 B11R1.166 Cc1cc(ccc1C(=S)N)F H33221 [0,2,0,0,0,0|1,1,0]=4 1602 B11R1.166 Cc1cc(ccc1C(C)C)N A19754 [0,2,0,0,0,0|1,0,1]=4 1603 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Cl H53471 [0,2,0,0,0,0|2,0,0]=4 1604 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F A13944 [0,2,0,0,0,0|2,0,0]=4 1605 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])N L13112 [0,2,0,0,0,0|2,0,0]=4 1606 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O L03163 [0,2,0,0,0,0|2,0,0]=4 1607 B11R1.166 Cc1cc(cnc1C(=O)O)Br H64220 [0,2,0,0,0,0|2,0,0]=4 1608 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O H60413 [0,2,0,0,0,0|1,0,0]=3 1609 B11R1.166 Cc1ccc(c(c1)C)C(=O)C A12992 [0,2,0,0,0,0|0,0,0]=2 1610 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl H50387 [0,2,0,0,0,0|1,0,0]=3 1611 B11R1.166 Cc1ccc(c(c1)C)C(=O)O A10589 [0,2,0,0,0,0|1,0,0]=3 1612 B11R1.166 Cc1ccc(c(c1)C)C(C)O H32141 [0,2,0,0,0,0|0,0,2]=4 1613 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] A16776 [0,2,0,0,0,0|2,0,0]=4 1614 B11R1.166 Cc1ccc(c(c1)F)C(=O)C H26695 [0,2,0,0,0,0|0,0,0]=2 1615 B11R1.166 Cc1ccc(c(c1)F)C(=O)Cl H31292 [0,2,0,0,0,0|1,0,0]=3 1616 B11R1.166 Cc1ccc(c(c1)F)C(=O)O H26688 [0,2,0,0,0,0|1,0,0]=3 1617 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] A10840 [0,2,0,0,0,0|2,0,0]=4 1618 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] L07852 [0,2,0,0,0,0|2,0,0]=4 1619 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [0,2,0,0,0,0|1,0,0]=3 1620 B11R1.166 Cc1ccc(c(c1)O)C(C)C A14563 [0,2,0,0,0,0|1,0,1]=4 1621 B11R1.166 Cc1ccc(c(c1)O)[N+](=O)[O-] A11729 [0,2,0,0,0,0|2,0,0]=4 1622 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)Cl H25878 [0,2,0,0,0,0|2,0,0]=4 1623 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O A13857 [0,2,0,0,0,0|2,0,0]=4 1624 B11R1.166 Cc1ccc(c(n1)O)C(=O)O A11842 [0,2,0,0,0,0|2,0,0]=4 1625 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl H61381 [0,2,0,0,0,0|2,0,0]=4 1626 B11R1.166 c1c(cnc(c1Cl)C(=O)N)Cl H66981 [0,2,0,0,0,0|2,0,0]=4 1627 B11R1.166 c1c(cnc(c1F)C(=O)N)F L20323 [0,2,0,0,0,0|2,0,0]=4 1628 B11R1.166 c1c(cnc(c1F)C(=O)O)Br H64466 [0,2,0,0,0,0|2,0,0]=4 1629 B11R1.166 c1c(cnc(c1F)C(=O)O)F L20324 [0,2,0,0,0,0|2,0,0]=4 1630 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O H32008 [0,2,0,0,0,0|1,0,0]=3 1631 B11R1.166 c1cc(c(cc1Br)Br)[N+](=O)[O-] H61738 [0,2,0,0,0,0|2,0,0]=4 1632 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O A11527 [0,2,0,0,0,0|1,0,0]=3 1633 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl L20142 [0,2,0,0,0,0|1,0,0]=3 1634 B11R1.166 c1cc(c(cc1Br)F)C(=O)N H52336 [0,2,0,0,0,0|1,0,0]=3 1635 B11R1.166 c1cc(c(cc1Br)F)C(=O)O B20118 [0,2,0,0,0,0|1,0,0]=3 1636 B11R1.166 c1cc(c(cc1Br)F)[N+](=O)[O-] H61807 [0,2,0,0,0,0|2,0,0]=4 1637 B11R1.166 c1cc(c(cc1Br)N)C(=O)O H55829 [0,2,0,0,0,0|1,0,0]=3 1638 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] H64966 [0,2,0,0,0,0|2,0,0]=4 1639 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O H59777 [0,2,0,0,0,0|1,0,0]=3 1640 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl B20815 [0,2,0,0,0,0|1,0,0]=3 1641 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N A15915 [0,2,0,0,0,0|1,0,0]=3 1642 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O A12372 [0,2,0,0,0,0|1,0,0]=3 1643 B11R1.166 c1cc(c(cc1Cl)Cl)C(=S)N H26654 [0,2,0,0,0,0|1,1,0]=4 1644 B11R1.166 c1cc(c(cc1Cl)Cl)[N+](=O)[O-] B23749 [0,2,0,0,0,0|2,0,0]=4 1645 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O B25277 [0,2,0,0,0,0|1,0,0]=3 1646 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O A10201 [0,2,0,0,0,0|1,0,0]=3 1647 B11R1.166 c1cc(c(cc1Cl)N)C(=S)N H52249 [0,2,0,0,0,0|1,1,0]=4 1648 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] A11241 [0,2,0,0,0,0|2,0,0]=4 1649 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O B22520 [0,2,0,0,0,0|1,0,0]=3 1650 B11R1.166 c1cc(c(cc1F)Br)C(=O)N H62497 [0,2,0,0,0,0|1,0,0]=3 1651 B11R1.166 c1cc(c(cc1F)Br)C(=O)O L19321 [0,2,0,0,0,0|1,0,0]=3 1652 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] H61466 [0,2,0,0,0,0|2,0,0]=4 1653 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl B23439 [0,2,0,0,0,0|1,0,0]=3 1654 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O A14953 [0,2,0,0,0,0|1,0,0]=3 1655 B11R1.166 c1cc(c(cc1F)Cl)C(=S)N H32001 [0,2,0,0,0,0|1,1,0]=4 1656 B11R1.166 c1cc(c(cc1F)Cl)[N+](=O)[O-] H32906 [0,2,0,0,0,0|2,0,0]=4 1657 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl A17920 [0,2,0,0,0,0|1,0,0]=3 1658 B11R1.166 c1cc(c(cc1F)F)C(=O)N A10375 [0,2,0,0,0,0|1,0,0]=3 1659 B11R1.166 c1cc(c(cc1F)F)C(=O)O A13403 [0,2,0,0,0,0|1,0,0]=3 1660 B11R1.166 c1cc(c(cc1F)F)C(=S)N H26758 [0,2,0,0,0,0|1,1,0]=4 1661 B11R1.166 c1cc(c(cc1F)F)[N+](=O)[O-] A13249 [0,2,0,0,0,0|2,0,0]=4 1662 B11R1.166 c1cc(c(cc1F)I)C(=O)O H55531 [0,2,0,0,0,0|1,0,0]=3 1663 B11R1.166 c1cc(c(cc1F)N)C(=O)O B21907 [0,2,0,0,0,0|1,0,0]=3 1664 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] H61806 [0,2,0,0,0,0|2,0,0]=4 1665 B11R1.166 c1cc(c(cc1F)O)C(=O)O B24992 [0,2,0,0,0,0|1,0,0]=3 1666 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] A12568 [0,2,0,0,0,0|2,0,0]=4 1667 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O A10116 [0,2,0,0,0,0|1,0,0]=3 1668 B11R1.166 c1cc(c(cc1N)Cl)C(=S)N H52142 [0,2,0,0,0,0|1,1,0]=4 1669 B11R1.166 c1cc(c(cc1N)Cl)[N+](=O)[O-] H32581 [0,2,0,0,0,0|2,0,0]=4 1670 B11R1.166 c1cc(c(cc1N)F)C(=O)O H26146 [0,2,0,0,0,0|1,0,0]=3 1671 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] H28895 [0,2,0,0,0,0|2,0,0]=4 1672 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] L12166 [0,2,0,0,0,0|2,0,0]=4 1673 B11R1.166 c1cc(c(cc1N)O)C(=O)O B23289 [0,2,0,0,0,0|1,0,0]=3 1674 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] A14350 [0,2,0,0,0,0|2,0,0]=4 1675 B11R1.166 c1cc(c(cc1O)O)C(=O)O A13545 [0,2,0,0,0,0|1,0,0]=3 1676 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl L20002 [0,2,0,0,0,0|2,0,0]=4 1677 B11R1.166 c1cc(nc(c1C(=O)O)F)Cl H66484 [0,2,0,0,0,0|2,0,0]=4 1678 B11R1.7 C=CS(=O)(=O)c1ccccc1 A14794 [0,2,0,0,0,0|1,0,1]=4 1679 B11R1.7 CC(C#C)(c1ccccc1)O B25515 [0,2,0,0,0,0|0,0,2]=4 1680 B11R1.7 CCC(C)(C)c1ccccc1 L03731 [0,2,0,0,0,0|1,0,1]=4 1681 B11R1.7 CCS(=O)(=O)c1ccccc1 A10710 [0,2,0,0,0,0|1,0,0]=3 1682 B11R1.7 CNS(=O)(=O)c1ccccc1 H55666 [0,2,0,0,0,0|1,0,0]=3 1683 B11R1.7 COP(=O)(C)c1ccccc1 A18760 [0,2,0,0,0,0|1,0,0]=3 1684 B11R1.7 COS(=O)(=O)c1ccccc1 B24515 [0,2,0,0,0,0|1,0,0]=3 1685 B11R1.7 CO[Si](C)(C)c1ccccc1 H27165 [0,2,0,0,0,0|0,1,1]=4 1686 B11R1.7 c1ccc(cc1)S(=O)(=O)NN B23971 [0,2,0,0,0,0|2,0,0]=4 1687 B11R1.7 c1ccc(cc1)S(=O)(=O)NN L19466 [0,2,0,0,0,0|2,0,0]=4 1688 B11R1.12 CCC(C#N)c1ccccc1 A17093 [0,2,0,0,0,0|1,0,1]=4 1689 B11R1.12 CCN(CC)c1ccccc1 A10560 [0,2,0,0,0,0|2,0,0]=4 1690 B11R1.12 CCP(CC)c1ccccc1 10180 [0,2,0,0,0,0|2,0,0]=4 1691 B11R1.12 COC(c1ccccc1)OC A11009 [0,2,0,0,0,0|0,0,2]=4 1692 B11R1.12 COP(c1ccccc1)OC A14006 [0,2,0,0,0,0|1,0,1]=4 1693 B11R1.12 CO[C@@H](CO)c1ccccc1 L14044 [0,2,0,0,0,0|0,0,2]=4 1694 B11R1.12 C\C=C(\C=O)/c1ccccc1 A14185 [0,2,0,0,0,0|0,0,0]=2 1695 B11R1.12 c1ccc(cc1)C(CO)CO H56761 [0,2,0,0,0,0|0,0,2]=4 1696 B11R1.12 c1ccc(cc1)P(CO)CO H27733 [0,2,0,0,0,0|1,0,1]=4 1697 B11R1.16 C=CCC(c1ccccc1)O H53466 [0,2,0,0,0,0|0,0,2]=4 1698 B11R1.16 C=COC(=O)c1ccccc1 B21805 [0,2,0,0,0,0|0,0,1]=3 1699 B11R1.16 CC(c1ccccc1)N=C=S B20011 [0,2,0,0,0,0|0,1,1]=4 1700 B11R1.16 CCCC(=O)c1ccccc1 A11345 [0,2,0,0,0,0|0,0,0]=2 1701 B11R1.16 CCCC(C)c1ccccc1 B20114 [0,2,0,0,0,0|1,0,1]=4 1702 B11R1.16 CCC[C@@H](c1ccccc1)N H27048 [0,2,0,0,0,0|1,0,1]=4 1703 B11R1.16 CCC[C@H](c1ccccc1)N H27156 [0,2,0,0,0,0|1,0,1]=4 1704 B11R1.16 CCOC(=N)c1ccccc1 L17684 [0,2,0,0,0,0|1,0,0]=3 1705 B11R1.16 CCOC(=O)c1ccccc1 44283 [0,2,0,0,0,0|0,0,0]=2 1706 B11R1.16 CCOC(=O)c1ccccc1 A13057 [0,2,0,0,0,0|0,0,0]=2 1707 B11R1.16 CCOC(=O)c1ccccn1 A13973 [0,2,0,0,0,0|1,0,0]=3 1708 B11R1.16 CCOC(=O)c1cccnc1 L03215 [0,2,0,0,0,0|1,0,0]=3 1709 B11R1.16 CCOC(=O)c1ccncc1 L03010 [0,2,0,0,0,0|1,0,0]=3 1710 B11R1.16 CCOC(=O)c1ccncn1 H64662 [0,2,0,0,0,0|2,0,0]=4 1711 B11R1.16 CNCC(c1ccccc1)O L08111 [0,2,0,0,0,0|0,0,2]=4 1712 B11R1.16 C[C@@H](c1ccccc1)N=C=O L11141 [0,2,0,0,0,0|0,0,1]=3 1713 B11R1.16 C[C@@H](c1ccccc1)N=C=S L19986 [0,2,0,0,0,0|0,1,1]=4 1714 B11R1.16 C[C@H](c1ccccc1)N=C=O L10305 [0,2,0,0,0,0|0,0,1]=3 1715 B11R1.16 C[C@H](c1ccccc1)N=C=S L20315 [0,2,0,0,0,0|0,1,1]=4 1716 B11R1.16 c1ccc(cc1)C(=O)CC#N A14473 [0,2,0,0,0,0|0,0,0]=2 1717 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [0,2,0,0,0,0|0,0,0]=2 1718 B11R1.16 c1ccc(cc1)C(=O)N=C=O A11583 [0,2,0,0,0,0|0,0,1]=3 1719 B11R1.16 c1ccc(cc1)C(=O)N=C=S L06964 [0,2,0,0,0,0|0,0,1]=3 1720 B11R1.16 c1ccc(cc1)C(=O)NCO A12250 [0,2,0,0,0,0|0,0,0]=2 1721 B11R1.16 c1ccc(cc1)C(=O)SCO L00523 [0,2,0,0,0,0|0,0,0]=2 1722 B11R1.16 c1ccc(cc1)C(=O)\C=N\O L02098 [0,2,0,0,0,0|0,0,1]=3 1723 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O H55567 [0,2,0,0,0,0|0,0,2]=4 1724 B11R1.16 c1ccc(cc1)[C@H](CCCl)O H54847 [0,2,0,0,0,0|0,0,2]=4 1725 B11R1.23 CCC(=O)c1cccc(c1)Br A16757 [0,2,0,0,0,0|0,0,0]=2 1726 B11R1.23 CCC(=O)c1cccc(c1)Cl A12542 [0,2,0,0,0,0|0,0,0]=2 1727 B11R1.23 CCC(=O)c1cccc(c1)F L11922 [0,2,0,0,0,0|0,0,0]=2 1728 B11R1.23 CCC(c1cccc(c1)F)O H32342 [0,2,0,0,0,0|0,0,2]=4 1729 B11R1.23 CNC(=O)c1cc(ccn1)Cl H50535 [0,2,0,0,0,0|1,0,0]=3 1730 B11R1.23 CNC(=O)c1cccc(c1)Cl H56565 [0,2,0,0,0,0|0,0,0]=2 1731 B11R1.23 CNC(=O)c1ccnc(c1)Cl H57458 [0,2,0,0,0,0|1,0,0]=3 1732 B11R1.23 COC(=O)c1cc(ccn1)Br H64327 [0,2,0,0,0,0|1,0,0]=3 1733 B11R1.23 COC(=O)c1cc(ccn1)Cl H60532 [0,2,0,0,0,0|1,0,0]=3 1734 B11R1.23 COC(=O)c1cc(cnc1)Br B20908 [0,2,0,0,0,0|1,0,0]=3 1735 B11R1.23 COC(=O)c1cccc(c1)Br A16174 [0,2,0,0,0,0|0,0,0]=2 1736 B11R1.23 COC(=O)c1cccc(c1)Cl B21371 [0,2,0,0,0,0|0,0,0]=2 1737 B11R1.23 COC(=O)c1cccc(c1)N A14766 [0,2,0,0,0,0|0,0,0]=2 1738 B11R1.23 COC(=O)c1cccc(c1)O A14425 [0,2,0,0,0,0|0,0,0]=2 1739 B11R1.23 COC(=O)c1cccc(n1)Cl H64023 [0,2,0,0,0,0|1,0,0]=3 1740 B11R1.23 COC(=O)c1ccnc(c1)N L19869 [0,2,0,0,0,0|1,0,0]=3 1741 B11R1.23 COC(=O)c1cncc(n1)Cl H66682 [0,2,0,0,0,0|2,0,0]=4 1742 B11R1.23 Cc1cc(cnc1)C(=O)OC L16371 [0,2,0,0,0,0|1,0,0]=3 1743 B11R1.23 Cc1cccc(c1)C(=O)NC H56299 [0,2,0,0,0,0|0,0,0]=2 1744 B11R1.23 Cc1cccc(c1)C(=O)NN L01043 [0,2,0,0,0,0|1,0,0]=3 1745 B11R1.23 Cc1cccc(c1)C(=O)OC A10893 [0,2,0,0,0,0|0,0,0]=2 1746 B11R1.23 Cc1cccc(c1)\C(=N\O)\N H50682 [0,2,0,0,0,0|1,0,1]=4 1747 B11R1.23 Cc1cccc(n1)C(=O)OC H33571 [0,2,0,0,0,0|1,0,0]=3 1748 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr A15210 [0,2,0,0,0,0|0,0,0]=2 1749 B11R1.23 c1cc(cc(c1)Br)C(=O)NN A19628 [0,2,0,0,0,0|1,0,0]=3 1750 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr H66077 [0,2,0,0,0,0|0,0,0]=2 1751 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN L01071 [0,2,0,0,0,0|1,0,0]=3 1752 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO L00286 [0,2,0,0,0,0|1,0,0]=3 1753 B11R1.23 c1cc(cc(c1)F)C(=O)C=O L20278 [0,2,0,0,0,0|0,0,1]=3 1754 B11R1.23 c1cc(cc(c1)N)C(=O)NN A11491 [0,2,0,0,0,0|1,0,0]=3 1755 B11R1.23 c1cc(cc(c1)N)\C(=N\O)\N H51773 [0,2,0,0,0,0|1,0,1]=4 1756 B11R1.23 c1cc(cc(c1)O)C(=O)NN L04357 [0,2,0,0,0,0|1,0,0]=3 1757 B11R1.23 c1cc(cc(c1)O)\C(=N\O)\N H52246 [0,2,0,0,0,0|1,0,1]=4 1758 B11R1.222 CCC(=O)c1ccccc1F L12423 [0,2,0,0,0,0|0,0,0]=2 1759 B11R1.222 CCC(=O)c1ccccc1O B25442 [0,2,0,0,0,0|0,0,0]=2 1760 B11R1.222 CCC(C)c1ccccc1O A18461 [0,2,0,0,0,0|1,0,1]=4 1761 B11R1.222 CCC(c1ccccc1F)O H31929 [0,2,0,0,0,0|0,0,2]=4 1762 B11R1.222 CNC(=O)c1ccccc1Br H50583 [0,2,0,0,0,0|0,0,0]=2 1763 B11R1.222 CNC(=O)c1ccccc1Cl H56910 [0,2,0,0,0,0|0,0,0]=2 1764 B11R1.222 CNC(=O)c1ccccc1F H56104 [0,2,0,0,0,0|0,0,0]=2 1765 B11R1.222 CNC(=O)c1cccnc1Cl H57963 [0,2,0,0,0,0|1,0,0]=3 1766 B11R1.222 COC(=O)c1c(nccn1)Br H63515 [0,2,0,0,0,0|2,0,0]=4 1767 B11R1.222 COC(=O)c1c(nccn1)Cl H64508 [0,2,0,0,0,0|2,0,0]=4 1768 B11R1.222 COC(=O)c1c(nccn1)N H29172 [0,2,0,0,0,0|2,0,0]=4 1769 B11R1.222 COC(=O)c1ccccc1Br A12435 [0,2,0,0,0,0|0,0,0]=2 1770 B11R1.222 COC(=O)c1ccccc1Cl A11237 [0,2,0,0,0,0|0,0,0]=2 1771 B11R1.222 COC(=O)c1ccccc1F A16133 [0,2,0,0,0,0|0,0,0]=2 1772 B11R1.222 COC(=O)c1ccccc1I A13204 [0,2,0,0,0,0|0,0,0]=2 1773 B11R1.222 COC(=O)c1ccccc1N A15681 [0,2,0,0,0,0|0,0,0]=2 1774 B11R1.222 COC(=O)c1ccccc1O A10578 [0,2,0,0,0,0|0,0,0]=2 1775 B11R1.222 COC(=O)c1ccccc1S H28400 [0,2,0,0,0,0|0,0,0]=2 1776 B11R1.222 COC(=O)c1cccnc1Cl H64798 [0,2,0,0,0,0|1,0,0]=3 1777 B11R1.222 COC(=O)c1cccnc1N H50013 [0,2,0,0,0,0|1,0,0]=3 1778 B11R1.222 COC(=O)c1cccnc1O H33334 [0,2,0,0,0,0|1,0,0]=3 1779 B11R1.222 COC(=O)c1cccoc1=O H25932 [0,2,0,0,0,0|1,0,0]=3 1780 B11R1.222 COC(=O)c1ccncc1N H34007 [0,2,0,0,0,0|1,0,0]=3 1781 B11R1.222 COC(=O)c1cnccc1N B25324 [0,2,0,0,0,0|1,0,0]=3 1782 B11R1.222 Cc1c(cccn1)C(=O)OC L09074 [0,2,0,0,0,0|1,0,0]=3 1783 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [0,2,0,0,0,0|0,0,0]=2 1784 B11R1.222 Cc1ccccc1C(=O)NN L00668 [0,2,0,0,0,0|1,0,0]=3 1785 B11R1.222 Cc1ccccc1C(=O)OC A15695 [0,2,0,0,0,0|0,0,0]=2 1786 B11R1.222 Cc1ccccc1\C(=N\O)\N H51719 [0,2,0,0,0,0|1,0,1]=4 1787 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl H27303 [0,2,0,0,0,0|0,0,0]=2 1788 B11R1.222 c1ccc(c(c1)C(=O)CBr)F H34179 [0,2,0,0,0,0|0,0,0]=2 1789 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [0,2,0,0,0,0|0,0,0]=2 1790 B11R1.222 c1ccc(c(c1)C(=O)NN)Br L00937 [0,2,0,0,0,0|1,0,0]=3 1791 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl A11361 [0,2,0,0,0,0|1,0,0]=3 1792 B11R1.222 c1ccc(c(c1)C(=O)NN)F B24921 [0,2,0,0,0,0|1,0,0]=3 1793 B11R1.222 c1ccc(c(c1)C(=O)NN)N A10805 [0,2,0,0,0,0|1,0,0]=3 1794 B11R1.222 c1ccc(c(c1)C(=O)NN)O A14218 [0,2,0,0,0,0|1,0,0]=3 1795 B11R1.222 c1ccc(c(c1)C(=O)NO)O A11528 [0,2,0,0,0,0|1,0,0]=3 1796 B11R1.222 c1ccc(c(c1)C(CN)O)F H50770 [0,2,0,0,0,0|0,0,2]=4 1797 B11R1.222 c1ccc(c(c1)[C@@H](CO)O)Cl H56431 [0,2,0,0,0,0|0,0,2]=4 1798 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)N H51782 [0,2,0,0,0,0|1,0,1]=4 1799 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)O H54898 [0,2,0,0,0,0|1,0,1]=4 1800 B11R1.87 CC(C)(C)c1ccccc1O L07294 [0,2,0,0,0,0|1,0,1]=4 1801 B11R1.87 CC(C)(C)c1ccccc1S L11578 [0,2,0,0,0,0|1,0,1]=4 1802 B11R1.87 CC(C)(c1ccccc1N)N H35906 [0,2,0,0,0,0|1,0,1]=4 1803 B11R1.87 Cc1ccccc1C(C)(C)C H33036 [0,2,0,0,0,0|1,0,1]=4 1804 B11R1.87 Cc1ccccc1S(=O)(=O)Cl L18983 [0,2,0,0,0,0|2,0,0]=4 1805 B11R1.87 Cc1ccccc1S(=O)(=O)N B20544 [0,2,0,0,0,0|2,0,0]=4 1806 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)Cl A14181 [0,2,0,0,0,0|2,0,0]=4 1807 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)N H61743 [0,2,0,0,0,0|2,0,0]=4 1808 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)N B21912 [0,2,0,0,0,0|2,0,0]=4 1809 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)O H31763 [0,2,0,0,0,0|2,0,0]=4 1810 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Br A13645 [0,2,0,0,0,0|2,0,0]=4 1811 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Cl A14054 [0,2,0,0,0,0|2,0,0]=4 1812 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Br L17578 [0,2,0,0,0,0|2,0,0]=4 1813 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Cl L09082 [0,2,0,0,0,0|2,0,0]=4 1814 B11R1.155 CC(C)(C)c1cccc(c1)N H50698 [0,2,0,0,0,0|1,0,1]=4 1815 B11R1.155 CC(C)(C)c1cccc(c1)O B24315 [0,2,0,0,0,0|1,0,1]=4 1816 B11R1.155 Cc1cccc(c1)C(C)(C)C H32668 [0,2,0,0,0,0|1,0,1]=4 1817 B11R1.155 Cc1cccc(c1)S(=O)(=O)Cl A15458 [0,2,0,0,0,0|2,0,0]=4 1818 B11R1.155 Cc1cccc(c1)S(=O)(=O)O L03419 [0,2,0,0,0,0|2,0,0]=4 1819 B11R1.155 c1cc(cc(c1)Br)S(=O)(=O)Cl A11507 [0,2,0,0,0,0|2,0,0]=4 1820 B11R1.155 c1cc(cc(c1)Br)S(=O)(=O)N B25681 [0,2,0,0,0,0|2,0,0]=4 1821 B11R1.155 c1cc(cc(c1)Cl)S(=O)(=O)Cl A10283 [0,2,0,0,0,0|2,0,0]=4 1822 B11R1.155 c1cc(cc(c1)Cl)S(=O)(=O)N L08349 [0,2,0,0,0,0|2,0,0]=4 1823 B11R1.155 c1cc(cc(c1)S(=O)(=O)Cl)F A13140 [0,2,0,0,0,0|2,0,0]=4 1824 B11R1.155 c1cc(cc(c1)S(=O)(=O)N)F H55740 [0,2,0,0,0,0|2,0,0]=4 1825 B11R1.155 c1cc(cc(c1)S(=O)(=O)N)N B21857 [0,2,0,0,0,0|2,0,0]=4 1826 B11R1.155 c1cc(cc(c1)S(=O)(=O)N)N B25439 [0,2,0,0,0,0|2,0,0]=4 1827 B11R1.155 c1cc(cc(c1)S(=O)(=O)O)N A14574 [0,2,0,0,0,0|2,0,0]=4 1828 B11R1.53 C=Cc1ccccc1C(=O)O H31723 [0,2,0,0,0,0|1,0,0]=3 1829 B11R1.53 CC(=O)c1ccccc1OC A11929 [0,2,0,0,0,0|0,0,0]=2 1830 B11R1.53 CC(C)c1ccccc1OC H53383 [0,2,0,0,0,0|1,0,1]=4 1831 B11R1.53 CCc1c(nccn1)C(=O)C A15674 [0,2,0,0,0,0|2,0,0]=4 1832 B11R1.53 CNc1ccccc1C(=O)O B20531 [0,2,0,0,0,0|1,0,0]=3 1833 B11R1.53 CNc1ccccc1[N+](=O)[O-] A19538 [0,2,0,0,0,0|2,0,0]=4 1834 B11R1.53 COc1c(cccn1)C(=O)O A13193 [0,2,0,0,0,0|2,0,0]=4 1835 B11R1.53 COc1ccccc1C(=O)Cl B22784 [0,2,0,0,0,0|1,0,0]=3 1836 B11R1.53 COc1ccccc1C(=O)N A12520 [0,2,0,0,0,0|1,0,0]=3 1837 B11R1.53 COc1ccccc1C(=O)O A13513 [0,2,0,0,0,0|1,0,0]=3 1838 B11R1.53 COc1ccccc1C(=S)N H32737 [0,2,0,0,0,0|1,1,0]=4 1839 B11R1.53 COc1ccccc1[N+](=O)[O-] A19518 [0,2,0,0,0,0|2,0,0]=4 1840 B11R1.53 CSc1c(cccn1)C(=O)Cl A17916 [0,2,0,0,0,0|2,0,0]=4 1841 B11R1.53 CSc1c(cccn1)C(=O)O L09920 [0,2,0,0,0,0|2,0,0]=4 1842 B11R1.53 CSc1ccccc1C(=O)O A10379 [0,2,0,0,0,0|1,0,0]=3 1843 B11R1.53 C[C@@H](c1ccccc1OC)N H26948 [0,2,0,0,0,0|1,0,1]=4 1844 B11R1.53 C[C@H](c1ccccc1OC)N H27669 [0,2,0,0,0,0|1,0,1]=4 1845 B11R1.53 c1ccc(c(c1)C#N)C(=O)N B21596 [0,2,0,0,0,0|1,0,0]=3 1846 B11R1.53 c1ccc(c(c1)C#N)C(=O)O H50237 [0,2,0,0,0,0|1,0,0]=3 1847 B11R1.53 c1ccc(c(c1)C#N)[N+](=O)[O-] A10941 [0,2,0,0,0,0|2,0,0]=4 1848 B11R1.53 c1ccc(c(c1)C(=O)O)I=O L15606 [0,2,0,0,0,0|1,0,0]=3 1849 B11R1.53 c1ccc(c(c1)C(=O)O)NN L11015 [0,2,0,0,0,0|1,0,0]=3 1850 B11R1.53 c1ccc(c(c1)C=O)C(=O)O A11201 [0,2,0,0,0,0|1,0,0]=3 1851 B11R1.53 c1ccc(c(c1)C=O)[N+](=O)[O-] A11501 [0,2,0,0,0,0|2,0,0]=4 1852 B11R1.53 c1ccc(c(c1)CBr)C(=O)O H28927 [0,2,0,0,0,0|1,0,0]=3 1853 B11R1.53 c1ccc(c(c1)CBr)[N+](=O)[O-] A13127 [0,2,0,0,0,0|2,0,0]=4 1854 B11R1.53 c1ccc(c(c1)CCl)[N+](=O)[O-] L13599 [0,2,0,0,0,0|2,0,0]=4 1855 B11R1.53 c1ccc(c(c1)CN)[N+](=O)[O-] A18900 [0,2,0,0,0,0|2,0,0]=4 1856 B11R1.53 c1ccc(c(c1)CO)[N+](=O)[O-] A15496 [0,2,0,0,0,0|2,0,0]=4 1857 B11R1.53 c1ccc(c(c1)[N+](=O)[O-])SCl B23627 [0,2,0,0,0,0|2,0,0]=4 1858 B11R1.156 CC(=O)c1c(cccc1Br)F H62361 [0,2,0,0,0,0|0,0,0]=2 1859 B11R1.156 CC(=O)c1c(cccc1Cl)Cl L06348 [0,2,0,0,0,0|0,0,0]=2 1860 B11R1.156 CC(=O)c1c(cccc1Cl)F B24067 [0,2,0,0,0,0|0,0,0]=2 1861 B11R1.156 CC(=O)c1c(cccc1F)F A10220 [0,2,0,0,0,0|0,0,0]=2 1862 B11R1.156 CC(=O)c1c(cccc1F)O H26130 [0,2,0,0,0,0|0,0,0]=2 1863 B11R1.156 CC(=O)c1c(cccc1O)O A14627 [0,2,0,0,0,0|0,0,0]=2 1864 B11R1.156 CC(c1c(cccc1Cl)Cl)O L12350 [0,2,0,0,0,0|0,0,2]=4 1865 B11R1.156 CC(c1c(cccc1F)F)O H32771 [0,2,0,0,0,0|0,0,2]=4 1866 B11R1.156 Cc1cccc(c1C(=O)N)Cl L18853 [0,2,0,0,0,0|1,0,0]=3 1867 B11R1.156 Cc1cccc(c1C(=O)O)Br L20149 [0,2,0,0,0,0|1,0,0]=3 1868 B11R1.156 Cc1cccc(c1C(=O)O)C A15014 [0,2,0,0,0,0|1,0,0]=3 1869 B11R1.156 Cc1cccc(c1C(=O)O)Cl L18348 [0,2,0,0,0,0|1,0,0]=3 1870 B11R1.156 Cc1cccc(c1C(=O)O)N A15187 [0,2,0,0,0,0|1,0,0]=3 1871 B11R1.156 Cc1cccc(c1[N+](=O)[O-])C L05546 [0,2,0,0,0,0|2,0,0]=4 1872 B11R1.156 Cc1cccc(c1[N+](=O)[O-])F H63574 [0,2,0,0,0,0|2,0,0]=4 1873 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl H32269 [0,2,0,0,0,0|1,0,0]=3 1874 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F H61251 [0,2,0,0,0,0|1,0,0]=3 1875 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N H32106 [0,2,0,0,0,0|1,0,0]=3 1876 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])N H61169 [0,2,0,0,0,0|2,0,0]=4 1877 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl A14839 [0,2,0,0,0,0|1,0,0]=3 1878 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)F B23762 [0,2,0,0,0,0|1,0,0]=3 1879 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)Cl A10865 [0,2,0,0,0,0|1,0,0]=3 1880 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)F B21294 [0,2,0,0,0,0|1,0,0]=3 1881 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl A10542 [0,2,0,0,0,0|1,0,0]=3 1882 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)F A11250 [0,2,0,0,0,0|1,0,0]=3 1883 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N A10890 [0,2,0,0,0,0|1,0,0]=3 1884 B11R1.156 c1cc(c(c(c1)Cl)C(=S)N)Cl H26636 [0,2,0,0,0,0|1,1,0]=4 1885 B11R1.156 c1cc(c(c(c1)F)C(=O)Cl)F A11286 [0,2,0,0,0,0|1,0,0]=3 1886 B11R1.156 c1cc(c(c(c1)F)C(=O)N)F A11685 [0,2,0,0,0,0|1,0,0]=3 1887 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F A14558 [0,2,0,0,0,0|1,0,0]=3 1888 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N A10919 [0,2,0,0,0,0|1,0,0]=3 1889 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O L10907 [0,2,0,0,0,0|1,0,0]=3 1890 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])F H55694 [0,2,0,0,0,0|2,0,0]=4 1891 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])N H61843 [0,2,0,0,0,0|2,0,0]=4 1892 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])O H61670 [0,2,0,0,0,0|2,0,0]=4 1893 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F L07924 [0,2,0,0,0,0|1,0,0]=3 1894 B11R1.156 c1cc(c(c(c1)O)C(=O)N)O L08424 [0,2,0,0,0,0|1,0,0]=3 1895 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O A14485 [0,2,0,0,0,0|1,0,0]=3 1896 B11R1.156 c1cc(c(c(c1)O)[N+](=O)[O-])O A12970 [0,2,0,0,0,0|2,0,0]=4 1897 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl H58239 [0,2,0,0,0,0|2,0,0]=4 1898 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl H50049 [0,2,0,0,0,0|2,0,0]=4 1899 B11R1.159 CC(=O)c1cccc(c1Cl)Cl A12667 [0,2,0,0,0,0|0,0,0]=2 1900 B11R1.159 CC(=O)c1cccc(c1F)Br H62708 [0,2,0,0,0,0|0,0,0]=2 1901 B11R1.159 CC(=O)c1cccc(c1F)Cl H26474 [0,2,0,0,0,0|0,0,0]=2 1902 B11R1.159 CC(=O)c1cccc(c1F)F A16786 [0,2,0,0,0,0|0,0,0]=2 1903 B11R1.159 CC(=O)c1cccc(c1O)F H32854 [0,2,0,0,0,0|0,0,0]=2 1904 B11R1.159 CC(c1cccc(c1F)Br)O H64736 [0,2,0,0,0,0|0,0,2]=4 1905 B11R1.159 Cc1c(cccc1Br)C(=O)O H55436 [0,2,0,0,0,0|1,0,0]=3 1906 B11R1.159 Cc1c(cccc1Br)[N+](=O)[O-] B21658 [0,2,0,0,0,0|2,0,0]=4 1907 B11R1.159 Cc1c(cccc1Cl)C(=O)O L15773 [0,2,0,0,0,0|1,0,0]=3 1908 B11R1.159 Cc1c(cccc1Cl)[N+](=O)[O-] B23675 [0,2,0,0,0,0|2,0,0]=4 1909 B11R1.159 Cc1c(cccc1F)C(=O)C H32221 [0,2,0,0,0,0|0,0,0]=2 1910 B11R1.159 Cc1c(cccc1F)C(=O)O H31887 [0,2,0,0,0,0|1,0,0]=3 1911 B11R1.159 Cc1c(cccc1F)[N+](=O)[O-] L20093 [0,2,0,0,0,0|2,0,0]=4 1912 B11R1.159 Cc1c(cccc1N)C(=O)O B24947 [0,2,0,0,0,0|1,0,0]=3 1913 B11R1.159 Cc1c(cccc1O)C(=O)O L13743 [0,2,0,0,0,0|1,0,0]=3 1914 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] A13002 [0,2,0,0,0,0|2,0,0]=4 1915 B11R1.159 Cc1c(cccc1[N+](=O)[O-])N A10347 [0,2,0,0,0,0|2,0,0]=4 1916 B11R1.159 Cc1cccc(c1Br)C(=O)O H32490 [0,2,0,0,0,0|1,0,0]=3 1917 B11R1.159 Cc1cccc(c1C)C(=O)Cl H25873 [0,2,0,0,0,0|1,0,0]=3 1918 B11R1.159 Cc1cccc(c1C)C(=O)N A13585 [0,2,0,0,0,0|1,0,0]=3 1919 B11R1.159 Cc1cccc(c1C)C(=O)O A10383 [0,2,0,0,0,0|1,0,0]=3 1920 B11R1.159 Cc1cccc(c1C)[N+](=O)[O-] B24917 [0,2,0,0,0,0|2,0,0]=4 1921 B11R1.159 Cc1cccc(c1Cl)[N+](=O)[O-] H56130 [0,2,0,0,0,0|2,0,0]=4 1922 B11R1.159 Cc1cccc(c1F)C(=O)O A12280 [0,2,0,0,0,0|1,0,0]=3 1923 B11R1.159 Cc1cccc(c1F)[N+](=O)[O-] H63173 [0,2,0,0,0,0|2,0,0]=4 1924 B11R1.159 Cc1cccc(c1I)C(=O)O L19876 [0,2,0,0,0,0|1,0,0]=3 1925 B11R1.159 Cc1cccc(c1N)C(=O)O B24230 [0,2,0,0,0,0|1,0,0]=3 1926 B11R1.159 Cc1cccc(c1N)[N+](=O)[O-] L01803 [0,2,0,0,0,0|2,0,0]=4 1927 B11R1.159 Cc1cccc(c1O)C(=O)O L15825 [0,2,0,0,0,0|1,0,0]=3 1928 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)N H62619 [0,2,0,0,0,0|1,0,0]=3 1929 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O H50235 [0,2,0,0,0,0|1,0,0]=3 1930 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O H61925 [0,2,0,0,0,0|1,0,0]=3 1931 B11R1.159 c1cc(c(c(c1)Br)O)[N+](=O)[O-] H27326 [0,2,0,0,0,0|2,0,0]=4 1932 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl L09506 [0,2,0,0,0,0|1,0,0]=3 1933 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)N A17265 [0,2,0,0,0,0|1,0,0]=3 1934 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O A10522 [0,2,0,0,0,0|1,0,0]=3 1935 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=S)N H26761 [0,2,0,0,0,0|1,1,0]=4 1936 B11R1.159 c1cc(c(c(c1)Cl)Cl)[N+](=O)[O-] A15037 [0,2,0,0,0,0|2,0,0]=4 1937 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl B23849 [0,2,0,0,0,0|1,0,0]=3 1938 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)N B24162 [0,2,0,0,0,0|1,0,0]=3 1939 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O B20603 [0,2,0,0,0,0|1,0,0]=3 1940 B11R1.159 c1cc(c(c(c1)Cl)F)[N+](=O)[O-] H61989 [0,2,0,0,0,0|2,0,0]=4 1941 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O H66261 [0,2,0,0,0,0|1,0,0]=3 1942 B11R1.159 c1cc(c(c(c1)Cl)O)[N+](=O)[O-] A17172 [0,2,0,0,0,0|2,0,0]=4 1943 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O H26242 [0,2,0,0,0,0|1,0,0]=3 1944 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O H31761 [0,2,0,0,0,0|1,0,0]=3 1945 B11R1.159 c1cc(c(c(c1)F)F)C(=O)Cl B20333 [0,2,0,0,0,0|1,0,0]=3 1946 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N B20542 [0,2,0,0,0,0|1,0,0]=3 1947 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O A16717 [0,2,0,0,0,0|1,0,0]=3 1948 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O H26163 [0,2,0,0,0,0|1,0,0]=3 1949 B11R1.159 c1cc(c(c(c1)F)O)[N+](=O)[O-] L08851 [0,2,0,0,0,0|2,0,0]=4 1950 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O B22478 [0,2,0,0,0,0|1,0,0]=3 1951 B11R1.159 c1cc(c(c(c1)O)N)[N+](=O)[O-] H27472 [0,2,0,0,0,0|2,0,0]=4 1952 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O A10144 [0,2,0,0,0,0|1,0,0]=3 1953 B11R1.159 c1cc(c(c(c1)[N+](=O)[O-])N)N B20201 [0,2,0,0,0,0|2,0,0]=4 1954 B11R1.159 c1cnc(c(c1C(=O)O)Br)Br H31708 [0,2,0,0,0,0|2,0,0]=4 1955 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl H63733 [0,2,0,0,0,0|2,0,0]=4 1956 B11R1.159 c1cnc(c(c1C(=O)O)F)Br H64290 [0,2,0,0,0,0|2,0,0]=4 1957 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl L20024 [0,2,0,0,0,0|2,0,0]=4 1958 B11R1.159 c1cnc(c(c1C(=O)O)F)F H33463 [0,2,0,0,0,0|2,0,0]=4 1959 B11R1.167 CC(=O)c1cc(ccc1Br)F H61261 [0,2,0,0,0,0|0,0,0]=2 1960 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl A13770 [0,2,0,0,0,0|0,0,0]=2 1961 B11R1.167 CC(=O)c1cc(ccc1F)Br H61282 [0,2,0,0,0,0|0,0,0]=2 1962 B11R1.167 CC(=O)c1cc(ccc1F)F A13911 [0,2,0,0,0,0|0,0,0]=2 1963 B11R1.167 CC(=O)c1cc(ccc1I)F H66475 [0,2,0,0,0,0|0,0,0]=2 1964 B11R1.167 CC(=O)c1cc(ccc1O)Br H61979 [0,2,0,0,0,0|0,0,0]=2 1965 B11R1.167 CC(=O)c1cc(ccc1O)Cl A15448 [0,2,0,0,0,0|0,0,0]=2 1966 B11R1.167 CC(=O)c1cc(ccc1O)F A15614 [0,2,0,0,0,0|0,0,0]=2 1967 B11R1.167 CC(=O)c1cc(ccc1O)O A12185 [0,2,0,0,0,0|0,0,0]=2 1968 B11R1.167 CC(c1cc(ccc1F)Cl)O H31600 [0,2,0,0,0,0|0,0,2]=4 1969 B11R1.167 Cc1ccc(c(c1)C(=O)C)C A11432 [0,2,0,0,0,0|0,0,0]=2 1970 B11R1.167 Cc1ccc(c(c1)C(=O)C)F H26575 [0,2,0,0,0,0|0,0,0]=2 1971 B11R1.167 Cc1ccc(c(c1)C(=O)C)O A13136 [0,2,0,0,0,0|0,0,0]=2 1972 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F H26093 [0,2,0,0,0,0|1,0,0]=3 1973 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br H32927 [0,2,0,0,0,0|1,0,0]=3 1974 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A15352 [0,2,0,0,0,0|1,0,0]=3 1975 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl B25347 [0,2,0,0,0,0|1,0,0]=3 1976 B11R1.167 Cc1ccc(c(c1)C(=O)O)F H26094 [0,2,0,0,0,0|1,0,0]=3 1977 B11R1.167 Cc1ccc(c(c1)C(=O)O)N L01513 [0,2,0,0,0,0|1,0,0]=3 1978 B11R1.167 Cc1ccc(c(c1)C(=O)O)O B20040 [0,2,0,0,0,0|1,0,0]=3 1979 B11R1.167 Cc1ccc(c(c1)C(C)O)C H32827 [0,2,0,0,0,0|0,0,2]=4 1980 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Br A10718 [0,2,0,0,0,0|2,0,0]=4 1981 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Cl A11383 [0,2,0,0,0,0|2,0,0]=4 1982 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])F H63317 [0,2,0,0,0,0|2,0,0]=4 1983 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N A13666 [0,2,0,0,0,0|2,0,0]=4 1984 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])O A12009 [0,2,0,0,0,0|2,0,0]=4 1985 B11R1.167 Cc1ccc(cc1C(=O)C)F H26819 [0,2,0,0,0,0|0,0,0]=2 1986 B11R1.167 Cc1ccc(cc1C(=O)Cl)F L13750 [0,2,0,0,0,0|1,0,0]=3 1987 B11R1.167 Cc1ccc(cc1C(=O)O)Br H60516 [0,2,0,0,0,0|1,0,0]=3 1988 B11R1.167 Cc1ccc(cc1C(=O)O)Cl H60649 [0,2,0,0,0,0|1,0,0]=3 1989 B11R1.167 Cc1ccc(cc1C(=O)O)F A10476 [0,2,0,0,0,0|1,0,0]=3 1990 B11R1.167 Cc1ccc(cc1C(=O)O)N H60078 [0,2,0,0,0,0|1,0,0]=3 1991 B11R1.167 Cc1ccc(cc1C(=O)O)O H60774 [0,2,0,0,0,0|1,0,0]=3 1992 B11R1.167 Cc1ccc(cc1C(=S)N)F H33362 [0,2,0,0,0,0|1,1,0]=4 1993 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Br A12951 [0,2,0,0,0,0|2,0,0]=4 1994 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Cl B23382 [0,2,0,0,0,0|2,0,0]=4 1995 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])F B24677 [0,2,0,0,0,0|2,0,0]=4 1996 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])I A18607 [0,2,0,0,0,0|2,0,0]=4 1997 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])N A12538 [0,2,0,0,0,0|2,0,0]=4 1998 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O 44285 [0,2,0,0,0,0|2,0,0]=4 1999 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O H58277 [0,2,0,0,0,0|2,0,0]=4 2000 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br H61154 [0,2,0,0,0,0|2,0,0]=4 2001 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl H64998 [0,2,0,0,0,0|2,0,0]=4 2002 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl B20706 [0,2,0,0,0,0|2,0,0]=4 2003 B11R1.167 c1cc(c(cc1Br)C(=O)N)F H62457 [0,2,0,0,0,0|1,0,0]=3 2004 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br A15077 [0,2,0,0,0,0|1,0,0]=3 2005 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl A12218 [0,2,0,0,0,0|1,0,0]=3 2006 B11R1.167 c1cc(c(cc1Br)C(=O)O)F H60595 [0,2,0,0,0,0|1,0,0]=3 2007 B11R1.167 c1cc(c(cc1Br)C(=O)O)I H64643 [0,2,0,0,0,0|1,0,0]=3 2008 B11R1.167 c1cc(c(cc1Br)C(=O)O)N A11915 [0,2,0,0,0,0|1,0,0]=3 2009 B11R1.167 c1cc(c(cc1Br)C(=O)O)O B20338 [0,2,0,0,0,0|1,0,0]=3 2010 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])Br A10472 [0,2,0,0,0,0|2,0,0]=4 2011 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])F B22523 [0,2,0,0,0,0|2,0,0]=4 2012 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N B25468 [0,2,0,0,0,0|2,0,0]=4 2013 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])O H26529 [0,2,0,0,0,0|2,0,0]=4 2014 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F B23273 [0,2,0,0,0,0|1,0,0]=3 2015 B11R1.167 c1cc(c(cc1Cl)C(=O)N)Cl B25097 [0,2,0,0,0,0|1,0,0]=3 2016 B11R1.167 c1cc(c(cc1Cl)C(=O)N)F B24623 [0,2,0,0,0,0|1,0,0]=3 2017 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N A11153 [0,2,0,0,0,0|1,0,0]=3 2018 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O L17897 [0,2,0,0,0,0|1,0,0]=3 2019 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br A10103 [0,2,0,0,0,0|1,0,0]=3 2020 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl A16108 [0,2,0,0,0,0|1,0,0]=3 2021 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F B23776 [0,2,0,0,0,0|1,0,0]=3 2022 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N A14329 [0,2,0,0,0,0|1,0,0]=3 2023 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O B23984 [0,2,0,0,0,0|1,0,0]=3 2024 B11R1.167 c1cc(c(cc1Cl)C(=S)N)Cl H32323 [0,2,0,0,0,0|1,1,0]=4 2025 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Br A12635 [0,2,0,0,0,0|2,0,0]=4 2026 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Cl A11896 [0,2,0,0,0,0|2,0,0]=4 2027 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])N A18143 [0,2,0,0,0,0|2,0,0]=4 2028 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])O A18150 [0,2,0,0,0,0|2,0,0]=4 2029 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl B24369 [0,2,0,0,0,0|1,0,0]=3 2030 B11R1.167 c1cc(c(cc1F)C(=O)Cl)F A10651 [0,2,0,0,0,0|1,0,0]=3 2031 B11R1.167 c1cc(c(cc1F)C(=O)N)Br H62366 [0,2,0,0,0,0|1,0,0]=3 2032 B11R1.167 c1cc(c(cc1F)C(=O)N)Cl B23093 [0,2,0,0,0,0|1,0,0]=3 2033 B11R1.167 c1cc(c(cc1F)C(=O)N)F B20971 [0,2,0,0,0,0|1,0,0]=3 2034 B11R1.167 c1cc(c(cc1F)C(=O)N)N H66873 [0,2,0,0,0,0|1,0,0]=3 2035 B11R1.167 c1cc(c(cc1F)C(=O)O)Br B25394 [0,2,0,0,0,0|1,0,0]=3 2036 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl H26462 [0,2,0,0,0,0|1,0,0]=3 2037 B11R1.167 c1cc(c(cc1F)C(=O)O)F A10503 [0,2,0,0,0,0|1,0,0]=3 2038 B11R1.167 c1cc(c(cc1F)C(=O)O)I H60937 [0,2,0,0,0,0|1,0,0]=3 2039 B11R1.167 c1cc(c(cc1F)C(=O)O)N B21458 [0,2,0,0,0,0|1,0,0]=3 2040 B11R1.167 c1cc(c(cc1F)C(=O)O)O B21751 [0,2,0,0,0,0|1,0,0]=3 2041 B11R1.167 c1cc(c(cc1F)C(=S)N)F H32225 [0,2,0,0,0,0|1,1,0]=4 2042 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])Br L15503 [0,2,0,0,0,0|2,0,0]=4 2043 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])Cl A11400 [0,2,0,0,0,0|2,0,0]=4 2044 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])F A11807 [0,2,0,0,0,0|2,0,0]=4 2045 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])I A18962 [0,2,0,0,0,0|2,0,0]=4 2046 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])N A10685 [0,2,0,0,0,0|2,0,0]=4 2047 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])O A15847 [0,2,0,0,0,0|2,0,0]=4 2048 B11R1.167 c1cc(c(cc1I)C(=O)Cl)F H26177 [0,2,0,0,0,0|1,0,0]=3 2049 B11R1.167 c1cc(c(cc1I)C(=O)O)Br L19247 [0,2,0,0,0,0|1,0,0]=3 2050 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl L20161 [0,2,0,0,0,0|1,0,0]=3 2051 B11R1.167 c1cc(c(cc1I)C(=O)O)F H26175 [0,2,0,0,0,0|1,0,0]=3 2052 B11R1.167 c1cc(c(cc1I)C(=O)O)N A19838 [0,2,0,0,0,0|1,0,0]=3 2053 B11R1.167 c1cc(c(cc1I)C(=O)O)O B21291 [0,2,0,0,0,0|1,0,0]=3 2054 B11R1.167 c1cc(c(cc1N)C(=O)O)Br H60382 [0,2,0,0,0,0|1,0,0]=3 2055 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl L14501 [0,2,0,0,0,0|1,0,0]=3 2056 B11R1.167 c1cc(c(cc1N)C(=O)O)F H26162 [0,2,0,0,0,0|1,0,0]=3 2057 B11R1.167 c1cc(c(cc1N)C(=O)O)O B23970 [0,2,0,0,0,0|1,0,0]=3 2058 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])F A15371 [0,2,0,0,0,0|2,0,0]=4 2059 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])N B23477 [0,2,0,0,0,0|2,0,0]=4 2060 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])O H27694 [0,2,0,0,0,0|2,0,0]=4 2061 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl H26112 [0,2,0,0,0,0|1,0,0]=3 2062 B11R1.167 c1cc(c(cc1O)C(=O)O)F H26150 [0,2,0,0,0,0|1,0,0]=3 2063 B11R1.167 c1cc(c(cc1O)C(=O)O)N L08256 [0,2,0,0,0,0|1,0,0]=3 2064 B11R1.167 c1cc(c(cc1O)C(=O)O)O A11459 [0,2,0,0,0,0|1,0,0]=3 2065 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])Cl L10108 [0,2,0,0,0,0|2,0,0]=4 2066 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N L09487 [0,2,0,0,0,0|2,0,0]=4 2067 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl H27146 [0,2,0,0,0,0|2,0,0]=4 2068 B11R1.74 CC(=O)c1cc(cc(c1)Br)F H62977 [0,2,0,0,0,0|0,0,0]=2 2069 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F H26808 [0,2,0,0,0,0|0,0,0]=2 2070 B11R1.74 CC(=O)c1cc(cc(c1)F)F B20301 [0,2,0,0,0,0|0,0,0]=2 2071 B11R1.74 CC(=O)c1cc(cc(c1)O)O B25567 [0,2,0,0,0,0|0,0,0]=2 2072 B11R1.74 Cc1cc(cc(c1)C(=O)C)C L15480 [0,2,0,0,0,0|0,0,0]=2 2073 B11R1.74 Cc1cc(cc(c1)C(=O)Cl)C H51716 [0,2,0,0,0,0|1,0,0]=3 2074 B11R1.74 Cc1cc(cc(c1)C(=O)O)C A11198 [0,2,0,0,0,0|1,0,0]=3 2075 B11R1.74 Cc1cc(cc(c1)F)C(=O)C H26316 [0,2,0,0,0,0|0,0,0]=2 2076 B11R1.74 Cc1cc(cc(c1)F)C(=O)O H26677 [0,2,0,0,0,0|1,0,0]=3 2077 B11R1.74 Cc1cc(cc(c1)F)[N+](=O)[O-] H61100 [0,2,0,0,0,0|2,0,0]=4 2078 B11R1.74 Cc1cc(cc(c1)N(C)C)C L09266 [0,2,0,0,0,0|2,0,0]=4 2079 B11R1.74 Cc1cc(cc(c1)N)C(C)C H33859 [0,2,0,0,0,0|1,0,1]=4 2080 B11R1.74 Cc1cc(cc(c1)[N+](=O)[O-])C L07762 [0,2,0,0,0,0|2,0,0]=4 2081 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O L10544 [0,2,0,0,0,0|2,0,0]=4 2082 B11R1.74 Cc1cc(cc(n1)O)C(=O)O H27716 [0,2,0,0,0,0|2,0,0]=4 2083 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O H63584 [0,2,0,0,0,0|2,0,0]=4 2084 B11R1.74 c1c(cc(cc1Br)Br)C(=O)N B24946 [0,2,0,0,0,0|1,0,0]=3 2085 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O A16654 [0,2,0,0,0,0|1,0,0]=3 2086 B11R1.74 c1c(cc(cc1Br)I)C(=O)O A17076 [0,2,0,0,0,0|1,0,0]=3 2087 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)Cl B24676 [0,2,0,0,0,0|1,0,0]=3 2088 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)N B21959 [0,2,0,0,0,0|1,0,0]=3 2089 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O A15168 [0,2,0,0,0,0|1,0,0]=3 2090 B11R1.74 c1c(cc(cc1Cl)Cl)C(=S)N H33270 [0,2,0,0,0,0|1,1,0]=4 2091 B11R1.74 c1c(cc(cc1Cl)Cl)[N+](=O)[O-] B25584 [0,2,0,0,0,0|2,0,0]=4 2092 B11R1.74 c1c(cc(cc1F)Br)C(=O)N H62944 [0,2,0,0,0,0|1,0,0]=3 2093 B11R1.74 c1c(cc(cc1F)Br)C(=O)O H32692 [0,2,0,0,0,0|1,0,0]=3 2094 B11R1.74 c1c(cc(cc1F)Br)[N+](=O)[O-] H61192 [0,2,0,0,0,0|2,0,0]=4 2095 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O H26567 [0,2,0,0,0,0|1,0,0]=3 2096 B11R1.74 c1c(cc(cc1F)F)C(=O)Cl B21400 [0,2,0,0,0,0|1,0,0]=3 2097 B11R1.74 c1c(cc(cc1F)F)C(=O)N A19904 [0,2,0,0,0,0|1,0,0]=3 2098 B11R1.74 c1c(cc(cc1F)F)C(=O)O A17033 [0,2,0,0,0,0|1,0,0]=3 2099 B11R1.74 c1c(cc(cc1F)F)C(=S)N H31719 [0,2,0,0,0,0|1,1,0]=4 2100 B11R1.74 c1c(cc(cc1F)F)[N+](=O)[O-] H60270 [0,2,0,0,0,0|2,0,0]=4 2101 B11R1.74 c1c(cc(cc1F)I)[N+](=O)[O-] H31612 [0,2,0,0,0,0|2,0,0]=4 2102 B11R1.74 c1c(cc(cc1N)F)C(=O)O H63501 [0,2,0,0,0,0|1,0,0]=3 2103 B11R1.74 c1c(cc(cc1N)N)C(=O)O A14075 [0,2,0,0,0,0|1,0,0]=3 2104 B11R1.74 c1c(cc(cc1O)O)C(=O)N L08457 [0,2,0,0,0,0|1,0,0]=3 2105 B11R1.74 c1c(cc(cc1O)O)C(=O)O A11664 [0,2,0,0,0,0|1,0,0]=3 2106 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O B20541 [0,2,0,0,0,0|2,0,0]=4 2107 B11R1.74 c1c(cc(nc1O)O)C(=O)O A15461 [0,2,0,0,0,0|2,0,0]=4 2108 B11R1.266 C=Cc1cccc(c1)C(=O)O H32556 [0,2,0,0,0,0|1,0,0]=3 2109 B11R1.266 CC(=O)c1cccc(c1)C#N A10841 [0,2,0,0,0,0|0,0,0]=2 2110 B11R1.266 CC(=O)c1cccc(c1)OC A15604 [0,2,0,0,0,0|0,0,0]=2 2111 B11R1.266 CN(C)c1cccc(c1)OC L08700 [0,2,0,0,0,0|2,0,0]=4 2112 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] H55196 [0,2,0,0,0,0|2,0,0]=4 2113 B11R1.266 COc1cccc(c1)C(=O)Cl B23571 [0,2,0,0,0,0|1,0,0]=3 2114 B11R1.266 COc1cccc(c1)C(=O)N B23204 [0,2,0,0,0,0|1,0,0]=3 2115 B11R1.266 COc1cccc(c1)C(=O)O A10767 [0,2,0,0,0,0|1,0,0]=3 2116 B11R1.266 COc1cccc(c1)C(=S)N H32734 [0,2,0,0,0,0|1,1,0]=4 2117 B11R1.266 COc1cccc(n1)C(=O)O H59652 [0,2,0,0,0,0|2,0,0]=4 2118 B11R1.266 CSc1cccc(c1)C(=O)O H27200 [0,2,0,0,0,0|1,0,0]=3 2119 B11R1.266 C[C@@H](c1cccc(c1)OC)N L16324 [0,2,0,0,0,0|1,0,1]=4 2120 B11R1.266 C[C@H](c1cccc(c1)OC)N L16323 [0,2,0,0,0,0|1,0,1]=4 2121 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl L15719 [0,2,0,0,0,0|1,0,0]=3 2122 B11R1.266 c1cc(cc(c1)C(=O)O)C#N B23836 [0,2,0,0,0,0|1,0,0]=3 2123 B11R1.266 c1cc(cc(c1)C(=O)O)C=O B21277 [0,2,0,0,0,0|1,0,0]=3 2124 B11R1.266 c1cc(cc(c1)C(=O)O)CCl H60854 [0,2,0,0,0,0|1,0,0]=3 2125 B11R1.266 c1cc(cc(c1)C(=O)O)CN H64546 [0,2,0,0,0,0|1,0,0]=3 2126 B11R1.266 c1cc(cc(c1)NN)C(=O)O B21462 [0,2,0,0,0,0|1,0,0]=3 2127 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])C#N A15821 [0,2,0,0,0,0|2,0,0]=4 2128 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])C=O A13594 [0,2,0,0,0,0|2,0,0]=4 2129 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CBr A14310 [0,2,0,0,0,0|2,0,0]=4 2130 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CCl A16775 [0,2,0,0,0,0|2,0,0]=4 2131 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CN B23349 [0,2,0,0,0,0|2,0,0]=4 2132 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CO 44445 [0,2,0,0,0,0|2,0,0]=4 2133 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CO A15040 [0,2,0,0,0,0|2,0,0]=4 2134 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])NN L02228 [0,2,0,0,0,0|2,0,0]=4 2135 B11R1.266 c1cnc(cc1C#N)C(=O)O H34233 [0,2,0,0,0,0|2,0,0]=4 2136 B11R1.266 c1cnc(cc1CO)C(=O)O H32921 [0,2,0,0,0,0|2,0,0]=4 2137 B9R1.13 CC(=O)Cc1ccco1 B22171 [0,0,1,1,0,0|1,0,1]=4 2138 B9R1.5 c1ccc(c(=O)cc1)O A11299 [0,0,1,1,0,0|1,0,1]=4 2139 B11R2.10 CC1=Cc2ccccc2C1 H26875 [0,0,0,1,0,1|1,0,0]=3 2140 B11R2.10 Cc1[nH]c2ccccc2n1 A17290 [0,0,0,1,0,1|1,0,0]=3 2141 B11R2.10 Cc1[nH]c2ccncc2n1 L19131 [0,0,0,1,0,1|2,0,0]=4 2142 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [0,0,0,1,0,1|1,0,0]=3 2143 B11R2.10 Cc1cc2ccccc2s1 H32224 [0,0,0,1,0,1|0,1,0]=3 2144 B11R2.10 Cc1cn2ccccc2n1 H35114 [0,0,0,1,0,1|2,0,0]=4 2145 B11R2.10 Cc1nc2ccccc2o1 A13198 [0,0,0,1,0,1|0,0,1]=3 2146 B11R2.10 Cc1nc2ccccc2s1 A13427 [0,0,0,1,0,1|0,1,0]=3 2147 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 H66234 [0,0,0,1,0,1|2,0,0]=4 2148 B11R2.10 c1ccc2c(c1)CC(=C2)Br B25474 [0,0,0,1,0,1|1,0,0]=3 2149 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [0,0,0,1,0,1|0,0,0]=2 2150 B11R2.10 c1ccc2c(c1)CC(=O)N2 A18764 [0,0,0,1,0,1|0,0,0]=2 2151 B11R2.10 c1ccc2c(c1)CC(=O)O2 A18617 [0,0,0,1,0,1|0,0,0]=2 2152 B11R2.10 c1ccc2c(c1)CC(C2)N H31023 [0,0,0,1,0,1|1,0,1]=4 2153 B11R2.10 c1ccc2c(c1)CC(C2)N L14083 [0,0,0,1,0,1|1,0,1]=4 2154 B11R2.10 c1ccc2c(c1)CC(C2)O L01766 [0,0,0,1,0,1|0,0,2]=4 2155 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 A19378 [0,0,0,1,0,1|1,0,0]=3 2156 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br H26183 [0,0,0,1,0,1|2,0,0]=4 2157 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A12193 [0,0,0,1,0,1|2,0,0]=4 2158 B11R2.10 c1ccc2c(c1)[nH]c(n2)N L02066 [0,0,0,1,0,1|2,0,0]=4 2159 B11R2.10 c1ccc2c(c1)[nH]c(n2)O A18324 [0,0,0,1,0,1|1,0,1]=4 2160 B11R2.10 c1ccc2c(c1)[nH]c(n2)S A18350 [0,0,0,1,0,1|1,1,0]=4 2161 B11R2.10 c1ccc2c(c1)nc(o2)Cl L07981 [0,0,0,1,0,1|1,0,1]=4 2162 B11R2.10 c1ccc2c(c1)nc(o2)S A12346 [0,0,0,1,0,1|1,0,1]=4 2163 B11R2.10 c1ccc2c(c1)nc(s2)Br H63286 [0,0,0,1,0,1|1,1,0]=4 2164 B11R2.10 c1ccc2c(c1)nc(s2)Cl A17762 [0,0,0,1,0,1|1,1,0]=4 2165 B11R2.10 c1ccc2c(c1)nc(s2)F L19316 [0,0,0,1,0,1|1,1,0]=4 2166 B11R2.10 c1ccc2c(c1)nc(s2)N A13521 [0,0,0,1,0,1|1,1,0]=4 2167 B11R2.10 c1ccc2c(c1)nc(s2)O A16648 [0,0,0,1,0,1|1,0,1]=4 2168 B11R2.10 c1ccc2c(c1)nc(s2)S A14086 [0,0,0,1,0,1|1,1,0]=4 2169 B11R2.238 c1ccc(cc1)SC2CC2 L12321 [0,0,0,1,0,1|1,0,1]=4 2170 B11R2.34 c1cc(ccc1C2CO2)Br H26818 [0,1,0,1,0,0|0,0,2]=4 2171 B11R2.34 c1cc(ccc1C2CO2)Cl H26516 [0,1,0,1,0,0|0,0,2]=4 2172 B11R2.34 c1cc(ccc1C2CO2)F H26600 [0,1,0,1,0,0|0,0,2]=4 2173 B11R2.34 c1cc(ccc1[C@@H]2CO2)F H33603 [0,1,0,1,0,0|0,0,2]=4 2174 B11R2.1 B1(c2ccccc2CO1)O L15192 [0,1,0,1,0,0|1,0,1]=4 2175 B11R2.1 C[n+]1csc2c1cccc2 L04837 [0,1,0,1,0,0|1,1,0]=4 2176 B11R2.1 Cc1c2cccnc2[nH]n1 H61397 [0,1,0,1,0,0|2,0,0]=4 2177 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [0,1,0,1,0,0|1,0,0]=3 2178 B11R2.1 Cc1csc2c1cccc2 A15772 [0,1,0,1,0,0|0,1,0]=3 2179 B11R2.1 Cn1c2ccccc2nn1 L00297 [0,1,0,1,0,0|2,0,0]=4 2180 B11R2.1 Cn1ccc2c1cccc2 A12605 [0,1,0,1,0,0|2,0,0]=4 2181 B11R2.1 Cn1cnc2c1cccc2 B25472 [0,1,0,1,0,0|2,0,0]=4 2182 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [0,1,0,1,0,0|0,0,0]=2 2183 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [0,1,0,1,0,0|1,0,0]=3 2184 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [0,1,0,1,0,0|0,0,0]=2 2185 B11R2.1 c1ccc2c(c1)CCC2N A16585 [0,1,0,1,0,0|1,0,1]=4 2186 B11R2.1 c1ccc2c(c1)CCC2O B24536 [0,1,0,1,0,0|0,0,2]=4 2187 B11R2.1 c1ccc2c(c1)CC[C@@H]2N L19303 [0,1,0,1,0,0|1,0,1]=4 2188 B11R2.1 c1ccc2c(c1)CC[C@H]2N L19302 [0,1,0,1,0,0|1,0,1]=4 2189 B11R2.1 c1ccc2c(c1)COC2=O A15516 [0,1,0,1,0,0|0,0,0]=2 2190 B11R2.1 c1ccc2c(c1)c(=O)[nH]o2 H50899 [0,1,0,1,0,0|1,0,0]=3 2191 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 H60492 [0,1,0,1,0,0|1,0,0]=3 2192 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [0,1,0,1,0,0|1,0,1]=4 2193 B11R2.1 c1ccc2c(c1)c(cs2)Br H32948 [0,1,0,1,0,0|1,0,1]=4 2194 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br H37775 [0,1,0,1,0,0|2,0,0]=4 2195 B11R2.1 c1ccc2c(c1)c(n[nH]2)N H33435 [0,1,0,1,0,0|2,0,0]=4 2196 B11R2.1 c1ccc2c(c1)c(ns2)Cl L17791 [0,1,0,1,0,0|1,1,0]=4 2197 B11R2.1 c1ccn2c(c1)n[nH]c2=O L18705 [0,1,0,1,0,0|2,0,0]=4 2198 B7R1.1 C1C=CC=C1C=O 39254 [1,0,0,0,1,0|0,0,1]=3 2199 B7R1.1 C1C=CC=C1C=O 44292 [1,0,0,0,1,0|0,0,1]=3 2200 B7R1.1 C=CC1=CC=CC1 17450 [1,0,0,0,1,0|0,0,2]=4 2201 B7R1.1 CCC1=CC=CC1 39253 [1,0,0,0,1,0|0,0,2]=4 2202 B7R1.1 CCC1=CC=CC1 H27592 [1,0,0,0,1,0|0,0,2]=4 2203 B7R1.1 CCC1=CC=CC1 H27618 [1,0,0,0,1,0|0,0,2]=4 2204 B7R1.1 CCC1=CC=CC1 H27769 [1,0,0,0,1,0|0,0,2]=4 2205 B7R1.1 CCc1ccco1 A15520 [1,0,0,0,1,0|1,0,1]=4 2206 B7R1.1 CCc1cccs1 A13372 [1,0,0,0,1,0|1,0,1]=4 2207 B7R1.1 COc1ccco1 A15593 [1,0,0,0,1,0|2,0,0]=4 2208 B7R1.1 COc1cccs1 A10455 [1,0,0,0,1,0|2,0,0]=4 2209 B7R1.1 COc1ccsc1 B21940 [1,0,0,0,1,0|2,0,0]=4 2210 B7R1.1 CSc1cccs1 A11763 [1,0,0,0,1,0|2,0,0]=4 2211 B7R1.1 C[Mn]C1=CC=CC1 47125 [1,0,0,0,1,0|1,0,1]=4 2212 B7R1.1 c1c(nc[nH]1)C=O B25050 [1,0,0,0,1,0|2,0,0]=4 2213 B7R1.1 c1c(ncs1)C=O H64028 [1,0,0,0,1,0|2,0,0]=4 2214 B7R1.1 c1c(scn1)C=O H60138 [1,0,0,0,1,0|2,0,0]=4 2215 B7R1.1 c1c[nH]cc1C=O H35559 [1,0,0,0,1,0|1,0,0]=3 2216 B7R1.1 c1cc([nH]c1)C=O A12838 [1,0,0,0,1,0|1,0,0]=3 2217 B7R1.1 c1cc(oc1)C=O 31305 [1,0,0,0,1,0|1,0,0]=3 2218 B7R1.1 c1cc(oc1)C=O A16167 [1,0,0,0,1,0|1,0,0]=3 2219 B7R1.1 c1cc(sc1)C=O A14344 [1,0,0,0,1,0|1,0,0]=3 2220 B7R1.1 c1cnc([nH]1)C=O L13883 [1,0,0,0,1,0|2,0,0]=4 2221 B7R1.1 c1cocc1C=O A11334 [1,0,0,0,1,0|1,0,0]=3 2222 B7R1.1 c1csc(n1)C=O H63329 [1,0,0,0,1,0|2,0,0]=4 2223 B7R1.1 c1cscc1C=O A14628 [1,0,0,0,1,0|1,0,0]=3 2224 B11R1.91 CC(=C)COc1ccccc1 B22369 [0,0,0,0,0,2|1,0,0]=3 2225 B11R1.91 CC(=N)SCc1ccccc1 H51844 [0,0,0,0,0,2|1,0,0]=3 2226 B11R1.91 CC(=O)C#Cc1ccccc1 H27826 [0,0,0,0,0,2|0,0,0]=2 2227 B11R1.91 CC(=O)CCc1ccccc1 B22777 [0,0,0,0,0,2|0,0,0]=2 2228 B11R1.91 CC(=O)NCc1cccnc1 B21862 [0,0,0,0,0,2|1,0,0]=3 2229 B11R1.91 CC(=O)NNc1ccccc1 A14446 [0,0,0,0,0,2|0,0,0]=2 2230 B11R1.91 CC(=O)OCc1ccccc1 B23472 [0,0,0,0,0,2|0,0,0]=2 2231 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [0,0,0,0,0,2|0,0,0]=2 2232 B11R1.91 CC(C#Cc1ccccc1)O H53450 [0,0,0,0,0,2|0,0,2]=4 2233 B11R1.91 CC(C)NCc1ccccc1 B23243 [0,0,0,0,0,2|1,0,1]=4 2234 B11R1.91 CC(CCc1ccccc1)N A18804 [0,0,0,0,0,2|1,0,1]=4 2235 B11R1.91 CC(CCc1ccccc1)O L05970 [0,0,0,0,0,2|0,0,2]=4 2236 B11R1.91 CC(COc1ccccc1)O L04596 [0,0,0,0,0,2|0,0,2]=4 2237 B11R1.91 C[C@@H](CCc1ccccc1)O L18886 [0,0,0,0,0,2|0,0,2]=4 2238 B11R1.91 C[C@H](CCc1ccccc1)O L18885 [0,0,0,0,0,2|0,0,2]=4 2239 B11R1.91 c1cc(cnc1)CCC(=O)O H58619 [0,0,0,0,0,2|2,0,0]=4 2240 B11R1.91 c1cc(cnc1)CCC(=O)O L14007 [0,0,0,0,0,2|2,0,0]=4 2241 B11R1.91 c1cc(cnc1)OCC(=O)O B24780 [0,0,0,0,0,2|2,0,0]=4 2242 B11R1.91 c1cc(cnc1)\C=C\C(=O)O A14747 [0,0,0,0,0,2|2,0,0]=4 2243 B11R1.91 c1ccc(cc1)C#CC(=O)O A15163 [0,0,0,0,0,2|1,0,0]=3 2244 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [0,0,0,0,0,2|1,0,0]=3 2245 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [0,0,0,0,0,2|1,0,0]=3 2246 B11R1.91 c1ccc(cc1)CNC(=O)N B24945 [0,0,0,0,0,2|1,0,0]=3 2247 B11R1.91 c1ccc(cc1)CNC(=S)N L09400 [0,0,0,0,0,2|1,1,0]=4 2248 B11R1.91 c1ccc(cc1)COC(=O)Cl A15682 [0,0,0,0,0,2|1,0,0]=3 2249 B11R1.91 c1ccc(cc1)COC(=O)N A11569 [0,0,0,0,0,2|1,0,0]=3 2250 B11R1.91 c1ccc(cc1)CSC(=[NH2+])N A15914 [0,0,0,0,0,2|2,0,0]=4 2251 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [0,0,0,0,0,2|1,0,0]=3 2252 B11R1.91 c1ccc(cc1)NNC(=O)N B22331 [0,0,0,0,0,2|1,0,0]=3 2253 B11R1.91 c1ccc(cc1)OCC(=O)Cl A13761 [0,0,0,0,0,2|1,0,0]=3 2254 B11R1.91 c1ccc(cc1)OCC(=O)N A14934 [0,0,0,0,0,2|1,0,0]=3 2255 B11R1.91 c1ccc(cc1)OCC(=O)O A12541 [0,0,0,0,0,2|1,0,0]=3 2256 B11R1.91 c1ccc(cc1)OCC(=S)N H26478 [0,0,0,0,0,2|1,1,0]=4 2257 B11R1.91 c1ccc(cc1)SCC(=O)O B22280 [0,0,0,0,0,2|1,0,0]=3 2258 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl A12016 [0,0,0,0,0,2|1,0,0]=3 2259 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [0,0,0,0,0,2|1,0,0]=3 2260 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [0,0,0,0,0,2|1,0,0]=3 2261 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] L14367 [0,0,0,0,0,2|2,0,0]=4 2262 B11R1.91 c1cnccc1CCC(=O)O H58655 [0,0,0,0,0,2|2,0,0]=4 2263 B11R1.91 c1cnccc1SCC(=O)O B21499 [0,0,0,0,0,2|2,0,0]=4 2264 B11R1.91 c1cnccc1\C=C\C(=O)O L13458 [0,0,0,0,0,2|2,0,0]=4