0 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 B(c1ccccc1)(O)O TS59339 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 B(c1cccnc1)(O)O TS02468 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 B(c1cccnc1)(O)O TS11179 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 B(c1cncnc1)(O)O TS85496 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 C=C(c1ccccc1)Br TS48375 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 CC(=C)c1ccccc1 TS32349 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 CC(=O)c1ccccc1 TS32455 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.6 CC(=O)c1ccccc1 TS32456 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 CC(=O)c1ccccc1 TS38236 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 CC(=O)c1ccccc1 TS55713 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 CC(=O)c1ccccn1 TS04861 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 CC(=O)c1cccnc1 TS65831 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.6 CC(=O)c1cccnn1 TS87133 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.6 CC(=O)c1ccncc1 TS02952 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.6 CC(=O)c1ccncn1 TS87400 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.6 CC(=O)c1ccnnc1 TS89714 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.6 CC(=O)c1cnccn1 TS55718 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.6 CC(=O)c1cncnc1 TS46735 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.6 CC(=O)c1ncccn1 TS91588 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.6 CC(C)c1cnccn1 TS04911 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.6 CC(c1ccccc1)Cl TS37453 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.6 CC(c1ccccc1)N TS55879 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.6 CC(c1ccccc1)O TS04908 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.6 CC(c1ccccn1)N TS47025 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.6 CC(c1ccccn1)N TS59503 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.6 CC(c1cccnc1)N TS59573 [0,0,0,0,0,0|1,0,1]=2 28 B9R1.6 CC(c1ccncc1)N TS51965 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.6 CC(c1ccncc1)N TS59574 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.6 CC(c1ccnnc1)N TS88664 [0,0,0,0,0,0|2,0,1]=3 31 B9R1.6 CC(c1cnccn1)N TS86731 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.6 CC(c1cncnc1)N TS88597 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.6 CN(C)c1ccccc1 TS56353 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.6 CN(C)c1cccnc1 TS32521 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.6 CN(c1ccccc1)N TS46980 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.6 CP(C)c1ccccc1 TS37178 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.6 CP(C)c1ccccc1 TS75399 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [0,0,0,0,0,0|2,0,2]=4 40 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [0,0,0,0,0,0|1,0,2]=3 41 B9R1.6 C[C@@H](c1cncnc1)N TS86849 [0,0,0,0,0,0|2,0,1]=3 42 B9R1.6 C[C@H](c1ccccc1)N TS00310 [0,0,0,0,0,0|2,0,1]=3 43 B9R1.6 C[C@H](c1ccccc1)N TS29339 [0,0,0,0,0,0|2,0,1]=3 44 B9R1.6 C[C@H](c1ccccc1)O TS04906 [0,0,0,0,0,0|2,0,2]=4 45 B9R1.6 C[C@H](c1cccnc1)O TS04956 [0,0,0,0,0,0|1,0,2]=3 46 B9R1.6 C[C@H](c1cncnc1)N TS90168 [0,0,0,0,0,0|2,0,1]=3 47 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [0,0,0,0,0,0|3,1,0]=4 48 B9R1.6 c1c(cncn1)C(=N)N TS60163 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.6 c1c(cncn1)C(=O)O TS11330 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.6 c1c(cncn1)C(=O)O TS88781 [0,0,0,0,0,0|2,0,0]=2 51 B9R1.6 c1c(cncn1)C(=O)[O-] TS40359 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.6 c1c(cncn1)C(=S)N TS37304 [0,0,0,0,0,0|1,1,0]=2 53 B9R1.6 c1c[nH+]ccc1C(=N)N TS02953 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [0,0,0,0,0,0|1,0,0]=1 55 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [0,0,0,0,0,0|1,0,0]=1 56 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [0,0,0,0,0,0|0,0,0]=0 57 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [0,0,0,0,0,0|0,0,0]=0 58 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [0,0,0,0,0,0|0,0,0]=0 59 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [0,0,0,0,0,0|1,0,0]=1 60 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [0,0,0,0,0,0|1,0,0]=1 61 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [0,0,0,0,0,0|1,0,0]=1 62 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [0,0,0,0,0,0|1,0,0]=1 63 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [0,0,0,0,0,0|0,1,0]=1 64 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [0,0,0,0,0,0|1,0,1]=2 65 B9R1.6 c1cc(cnc1)[N+](=O)[O-] TS05007 [0,0,0,0,0,0|2,0,0]=2 66 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [0,0,0,0,0,0|2,0,0]=2 67 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [0,0,0,0,0,0|2,0,0]=2 68 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [0,0,0,0,0,0|2,0,0]=2 69 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [0,0,0,0,0,0|2,0,0]=2 70 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [0,0,0,0,0,0|2,0,0]=2 71 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [0,0,0,0,0,0|2,0,0]=2 72 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [0,0,0,0,0,0|2,0,0]=2 73 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [0,0,0,0,0,0|1,0,0]=1 74 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [0,0,0,0,0,0|2,0,0]=2 75 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [0,0,0,0,0,0|2,0,0]=2 76 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [0,0,0,0,0,0|2,0,0]=2 77 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [0,0,0,0,0,0|2,0,0]=2 78 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [0,0,0,0,0,0|2,0,0]=2 79 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [0,0,0,0,0,0|2,0,0]=2 80 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [0,0,0,0,0,0|2,0,0]=2 81 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [0,0,0,0,0,0|2,0,0]=2 82 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [0,0,0,0,0,0|2,0,0]=2 83 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [0,0,0,0,0,0|2,0,0]=2 84 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [0,0,0,0,0,0|1,1,0]=2 85 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [0,0,0,0,0,0|2,0,1]=3 86 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [0,0,0,0,0,0|3,0,1]=4 87 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [0,0,0,0,0,0|3,0,1]=4 88 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [0,0,0,0,0,0|3,0,0]=3 89 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [0,0,0,0,0,0|3,0,0]=3 91 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [0,0,0,0,0,0|3,0,0]=3 92 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [0,0,0,0,0,0|3,0,0]=3 95 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [0,0,0,0,0,0|3,0,0]=3 96 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [0,0,0,0,0,0|3,1,0]=4 98 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [0,0,0,0,0,0|3,0,0]=3 100 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [0,0,0,0,0,0|2,0,0]=2 101 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [0,0,0,0,0,0|3,0,0]=3 102 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [0,0,0,0,0,0|3,0,0]=3 103 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [0,0,0,0,0,0|3,0,0]=3 104 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [0,0,0,0,0,0|3,0,0]=3 105 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [0,0,0,0,0,0|3,0,0]=3 106 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [0,0,0,0,0,0|3,0,0]=3 107 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [0,0,0,0,0,0|2,1,0]=3 108 B9R1.6 c1cnc(cn1)C(=N)N TS32502 [0,0,0,0,0,0|2,0,0]=2 109 B9R1.6 c1cnc(cn1)C(=N)N TS59360 [0,0,0,0,0,0|2,0,0]=2 110 B9R1.6 c1cnc(cn1)C(=O)Cl TS37679 [0,0,0,0,0,0|2,0,0]=2 111 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [0,0,0,0,0,0|2,0,0]=2 112 B9R1.6 c1cnc(cn1)C(=S)N TS37306 [0,0,0,0,0,0|1,1,0]=2 113 B9R1.6 c1cnc(nc1)C(=N)N TS08803 [0,0,0,0,0,0|4,0,0]=4 114 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [0,0,0,0,0,0|4,0,0]=4 115 B9R1.6 c1cnccc1C(=N)N TS01862 [0,0,0,0,0,0|3,0,0]=3 116 B9R1.6 c1cnccc1C(=O)Cl TS46358 [0,0,0,0,0,0|3,0,0]=3 117 B9R1.6 c1cnccc1C(=O)N TS74511 [0,0,0,0,0,0|2,0,0]=2 118 B9R1.6 c1cnccc1C(=O)O TS01508 [0,0,0,0,0,0|3,0,0]=3 119 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [0,0,0,0,0,0|3,0,0]=3 120 B9R1.6 c1cnccc1C(=S)N TS06294 [0,0,0,0,0,0|2,1,0]=3 121 B9R1.6 c1cnccc1[N+](=O)[O-] TS05008 [0,0,0,0,0,0|4,0,0]=4 122 B9R1.6 c1cncnc1C(=O)O TS90236 [0,0,0,0,0,0|4,0,0]=4 123 B9R1.6 c1cnnc(n1)C(=O)O TS36044 [0,0,0,0,0,0|3,0,0]=3 124 B9R1.6 c1cnncc1C(=O)O TS59368 [0,0,0,0,0,0|2,0,0]=2 125 B8R1.2 C#Cc1ccccc1 TS39865 [1,0,0,0,0,0|2,0,1]=4 126 B8R1.2 C#Cc1cccnc1 TS16364 [1,0,0,0,0,0|1,0,1]=3 127 B8R1.2 C#Cc1cccnn1 TS91729 [1,0,0,0,0,0|2,0,1]=4 128 B8R1.2 C#Cc1cnccn1 TS87522 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.2 C#Cc1cncnc1 TS86071 [1,0,0,0,0,0|2,0,1]=4 130 B8R1.2 C=Cc1ccccc1 TS04045 [1,0,0,0,0,0|2,0,0]=3 131 B8R1.2 C=Cc1ccccn1 TS31704 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.2 C=Cc1cccnc1 TS31705 [1,0,0,0,0,0|1,0,0]=2 133 B8R1.2 C=Cc1ccncc1 TS33177 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.2 C=Cc1cnccn1 TS04089 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.2 CCc1ccccc1 TS04102 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.2 CCc1cccnc1 TS04113 [1,0,0,0,0,0|1,0,1]=3 137 B8R1.2 CCc1cnccn1 TS31774 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.2 CNc1ccccc1 TS31758 [1,0,0,0,0,0|3,0,0]=4 139 B8R1.2 CNc1ccccc1 TS40129 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.2 CNc1cccnc1 TS09432 [1,0,0,0,0,0|2,0,0]=3 141 B8R1.2 CNc1cnccn1 TS31803 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.2 COc1ccccc1 TS39801 [1,0,0,0,0,0|3,0,0]=4 143 B8R1.2 COc1cccnn1 TS02827 [1,0,0,0,0,0|3,0,0]=4 144 B8R1.2 COc1cnccn1 TS55429 [1,0,0,0,0,0|3,0,0]=4 145 B8R1.2 CPc1ccccc1 TS32592 [1,0,0,0,0,0|3,0,0]=4 146 B8R1.2 CSc1ccccc1 TS36022 [1,0,0,0,0,0|3,0,0]=4 147 B8R1.2 CSc1cccnc1 TS05108 [1,0,0,0,0,0|2,0,0]=3 148 B8R1.2 CSc1cnccn1 TS55418 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.2 C[NH2+]c1ccccc1 TS49917 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.2 C[SiH2]c1ccccc1 TS04929 [1,0,0,0,0,0|2,1,0]=4 151 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.2 c1c(cncn1)C#N TS03285 [1,0,0,0,0,0|1,0,2]=4 153 B8R1.2 c1c(cncn1)C=O TS01668 [1,0,0,0,0,0|1,0,0]=2 154 B8R1.2 c1c(cncn1)CCl TS91001 [1,0,0,0,0,0|2,0,1]=4 155 B8R1.2 c1c(cncn1)CCl TS91653 [1,0,0,0,0,0|2,0,1]=4 156 B8R1.2 c1c(cncn1)CN TS55503 [1,0,0,0,0,0|1,0,1]=3 157 B8R1.2 c1c(cncn1)CO TS55504 [1,0,0,0,0,0|1,0,2]=4 158 B8R1.2 c1c(cncn1)NN TS90574 [1,0,0,0,0,0|2,0,0]=3 159 B8R1.2 c1cc(cnc1)C#N TS02037 [1,0,0,0,0,0|0,0,2]=3 160 B8R1.2 c1cc(cnc1)CBr TS09437 [1,0,0,0,0,0|1,0,1]=3 161 B8R1.2 c1cc(cnc1)CCl TS00113 [1,0,0,0,0,0|1,0,1]=3 162 B8R1.2 c1cc(cnc1)CCl TS02031 [1,0,0,0,0,0|1,0,1]=3 163 B8R1.2 c1cc(cnc1)CI TS49544 [1,0,0,0,0,0|1,0,1]=3 164 B8R1.2 c1cc(cnc1)CI TS64566 [1,0,0,0,0,0|1,0,1]=3 165 B8R1.2 c1cc(cnc1)CN TS02883 [1,0,0,0,0,0|0,0,1]=2 166 B8R1.2 c1cc(cnc1)CO TS92960 [1,0,0,0,0,0|0,0,2]=3 167 B8R1.2 c1cc(cnc1)CO TS93835 [1,0,0,0,0,0|0,0,2]=3 168 B8R1.2 c1cc(cnc1)NN TS87727 [1,0,0,0,0,0|1,0,0]=2 169 B8R1.2 c1cc(nnc1)C#N TS87766 [1,0,0,0,0,0|1,0,2]=4 170 B8R1.2 c1cc(nnc1)C=O TS59366 [1,0,0,0,0,0|1,0,0]=2 171 B8R1.2 c1cc(nnc1)CCl TS90180 [1,0,0,0,0,0|2,0,1]=4 172 B8R1.2 c1cc(nnc1)CN TS90318 [1,0,0,0,0,0|1,0,1]=3 173 B8R1.2 c1cc(nnc1)CO TS59365 [1,0,0,0,0,0|1,0,2]=4 174 B8R1.2 c1ccc(cc1)C#N TS01882 [1,0,0,0,0,0|1,0,2]=4 175 B8R1.2 c1ccc(cc1)C#N TS80489 [1,0,0,0,0,0|1,0,2]=4 176 B8R1.2 c1ccc(cc1)C=O TS43757 [1,0,0,0,0,0|1,0,0]=2 177 B8R1.2 c1ccc(cc1)CCl TS36191 [1,0,0,0,0,0|2,0,1]=4 178 B8R1.2 c1ccc(cc1)CF TS31826 [1,0,0,0,0,0|2,0,1]=4 179 B8R1.2 c1ccc(cc1)CI TS09176 [1,0,0,0,0,0|2,0,1]=4 180 B8R1.2 c1ccc(cc1)CN TS01379 [1,0,0,0,0,0|1,0,1]=3 181 B8R1.2 c1ccc(cc1)CN TS40124 [1,0,0,0,0,0|1,0,1]=3 182 B8R1.2 c1ccc(cc1)CO TS31769 [1,0,0,0,0,0|1,0,2]=4 183 B8R1.2 c1ccc(cc1)CS TS36023 [1,0,0,0,0,0|1,1,1]=4 184 B8R1.2 c1ccc(cc1)I=O TS49692 [1,0,0,0,0,0|2,0,0]=3 185 B8R1.2 c1ccc(cc1)N=O TS31751 [1,0,0,0,0,0|2,0,0]=3 186 B8R1.2 c1ccc(cc1)NN TS07047 [1,0,0,0,0,0|2,0,0]=3 187 B8R1.2 c1ccc(cc1)NN TS31771 [1,0,0,0,0,0|2,0,0]=3 188 B8R1.2 c1ccc(cc1)NN TS61145 [1,0,0,0,0,0|2,0,0]=3 189 B8R1.2 c1ccc(cc1)NN TS76102 [1,0,0,0,0,0|2,0,0]=3 190 B8R1.2 c1ccc(cc1)NO TS31793 [1,0,0,0,0,0|2,0,1]=4 191 B8R1.2 c1ccc(cc1)NO TS37696 [1,0,0,0,0,0|2,0,1]=4 192 B8R1.2 c1ccc(cc1)ON TS07146 [1,0,0,0,0,0|2,0,0]=3 193 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [1,0,0,0,0,0|3,0,0]=4 194 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [1,0,0,0,0,0|3,0,0]=4 196 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [1,0,0,0,0,0|2,0,1]=4 199 B8R1.2 c1ccnc(c1)C=O TS02469 [1,0,0,0,0,0|2,0,0]=3 200 B8R1.2 c1ccnc(c1)CN TS00811 [1,0,0,0,0,0|2,0,1]=4 201 B8R1.2 c1ccnc(c1)NN TS14875 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.2 c1ccnc(c1)NN TS55380 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.2 c1cnc(cn1)C#N TS55308 [1,0,0,0,0,0|1,0,2]=4 204 B8R1.2 c1cnc(cn1)C=O TS31759 [1,0,0,0,0,0|1,0,0]=2 205 B8R1.2 c1cnc(cn1)CCl TS88127 [1,0,0,0,0,0|2,0,1]=4 206 B8R1.2 c1cnc(cn1)CN TS01661 [1,0,0,0,0,0|1,0,1]=3 207 B8R1.2 c1cnc(cn1)CO TS88438 [1,0,0,0,0,0|1,0,2]=4 208 B8R1.2 c1cnc(cn1)CS TS36139 [1,0,0,0,0,0|1,1,1]=4 209 B8R1.2 c1cnc(cn1)NN TS55379 [1,0,0,0,0,0|2,0,0]=3 210 B8R1.2 c1cnc(nc1)C=O TS02479 [1,0,0,0,0,0|3,0,0]=4 211 B8R1.2 c1cnccc1C=O TS59369 [1,0,0,0,0,0|2,0,0]=3 212 B8R1.2 c1cnccc1CN TS31773 [1,0,0,0,0,0|2,0,1]=4 213 B8R1.2 c1cnccc1NN TS89841 [1,0,0,0,0,0|3,0,0]=4 214 B8R1.2 c1cncnc1C=O TS01666 [1,0,0,0,0,0|3,0,0]=4 215 B8R1.2 c1cnncc1C#N TS87033 [1,0,0,0,0,0|1,0,2]=4 216 B8R1.2 c1cnncc1C=O TS87334 [1,0,0,0,0,0|1,0,0]=2 217 B8R1.2 c1cnncc1CN TS90837 [1,0,0,0,0,0|1,0,1]=3 218 B8R1.2 c1cnncc1CO TS89532 [1,0,0,0,0,0|1,0,2]=4 219 B10R1.13 B(c1ccc(nc1)Br)(O)O TS00865 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.13 B(c1ccc(nc1)C)(O)O TS55461 [0,1,0,0,0,0|2,0,1]=4 221 B10R1.13 B(c1ccc(nc1)C)(O)S TS01189 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.13 B(c1ccc(nc1)Cl)(O)O TS00956 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.13 B(c1ccc(nc1)F)(O)O TS55353 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.13 B(c1ccc(nc1)N)(O)O TS90857 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,1,0,0,0,0|1,0,0]=2 235 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,1,0,0,0,0|1,0,0]=2 236 B10R1.13 CC(=O)c1ccc(nn1)Cl TS88128 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.13 CC(=O)c1cnc(cn1)Cl TS10794 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,1,0,0,0,0|1,0,0]=2 255 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [0,1,0,0,0,0|1,1,0]=3 257 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,1,0,0,0,0|1,0,0]=2 271 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,1,0,0,0,0|0,0,0]=1 272 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,1,0,0,0,0|1,0,0]=2 273 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [0,1,0,0,0,0|0,1,0]=2 274 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.13 Cc1ncc(cn1)[N+](=O)[O-] TS55459 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.13 c1c(cnc(n1)Cl)C(=O)O TS00962 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.13 c1c(cnc(n1)Cl)[N+](=O)[O-] TS00926 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.13 c1c(cnc(n1)F)[N+](=O)[O-] TS06824 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.13 c1c(cnc(n1)N)C(=O)O TS00824 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.13 c1c(cnc(n1)N)[N+](=O)[O-] TS47451 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.13 c1c(cnc(n1)O)C(=O)O TS86644 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.13 c1c(cnc(n1)O)[N+](=O)[O-] TS01056 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.13 c1c(ncc(=O)[nH]1)C(=O)[O-] TS11486 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.13 c1c(ncc(n1)Cl)C(=O)O TS71521 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.13 c1c(ncc(n1)N)C(=O)O TS47452 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [0,1,0,0,0,0|2,0,0]=3 293 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [0,1,0,0,0,0|2,0,0]=3 294 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [0,1,0,0,0,0|2,0,0]=3 296 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [0,1,0,0,0,0|2,0,0]=3 304 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [0,1,0,0,0,0|2,0,0]=3 305 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [0,1,0,0,0,0|2,0,0]=3 306 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [0,1,0,0,0,0|2,0,0]=3 307 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [0,1,0,0,0,0|1,0,0]=2 308 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [0,1,0,0,0,0|1,0,0]=2 309 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [0,1,0,0,0,0|1,0,0]=2 310 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [0,1,0,0,0,0|1,0,0]=2 311 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [0,1,0,0,0,0|1,0,0]=2 312 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [0,1,0,0,0,0|1,0,0]=2 313 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,1,0,0,0,0|2,0,0]=3 315 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,1,0,0,0,0|2,0,0]=3 316 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,1,0,0,0,0|2,0,0]=3 317 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,1,0,0,0,0|2,0,0]=3 318 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,1,0,0,0,0|2,0,0]=3 320 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,1,0,0,0,0|2,0,0]=3 321 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [0,1,0,0,0,0|2,0,0]=3 322 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [0,1,0,0,0,0|2,0,0]=3 324 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [0,1,0,0,0,0|2,0,0]=3 325 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [0,1,0,0,0,0|1,1,0]=3 327 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [0,1,0,0,0,0|1,1,0]=3 328 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [0,1,0,0,0,0|1,1,0]=3 329 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [0,1,0,0,0,0|1,1,0]=3 330 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [0,1,0,0,0,0|1,1,0]=3 331 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [0,1,0,0,0,0|3,0,0]=4 336 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [0,1,0,0,0,0|3,0,0]=4 337 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [0,1,0,0,0,0|3,0,0]=4 338 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [0,1,0,0,0,0|2,0,0]=3 345 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.13 c1cc(ncc1C(=N)N)F TS92781 [0,1,0,0,0,0|1,0,0]=2 347 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [0,1,0,0,0,0|1,0,0]=2 348 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [0,1,0,0,0,0|0,0,0]=1 349 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [0,1,0,0,0,0|0,0,0]=1 350 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [0,1,0,0,0,0|1,0,0]=2 351 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [0,1,0,0,0,0|1,0,0]=2 352 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [0,1,0,0,0,0|1,0,0]=2 353 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [0,1,0,0,0,0|1,0,0]=2 354 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [0,1,0,0,0,0|1,0,0]=2 355 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [0,1,0,0,0,0|1,0,0]=2 356 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [0,1,0,0,0,0|1,0,0]=2 357 B10R1.13 c1cc(ncc1Cl)C(=N)N TS87123 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [0,1,0,0,0,0|3,0,0]=4 359 B10R1.13 c1cc(ncc1F)C(=N)N TS91292 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [0,1,0,0,0,0|3,0,0]=4 364 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [0,1,0,0,0,0|3,0,0]=4 365 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br TS55133 [0,1,0,0,0,0|2,0,0]=3 366 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl TS00925 [0,1,0,0,0,0|2,0,0]=3 367 B10R1.13 c1cc(ncc1[N+](=O)[O-])F TS01017 [0,1,0,0,0,0|2,0,0]=3 368 B10R1.13 c1cc(ncc1[N+](=O)[O-])I TS62780 [0,1,0,0,0,0|2,0,0]=3 369 B10R1.13 c1cc(ncc1[N+](=O)[O-])N TS37258 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.13 c1cc(ncc1[N+](=O)[O-])O TS01055 [0,1,0,0,0,0|2,0,0]=3 371 B10R1.13 c1cc(ncc1[N+](=O)[O-])S TS10668 [0,1,0,0,0,0|2,0,0]=3 372 B10R1.13 c1cc(nnc1C(=O)N)Cl TS41834 [0,1,0,0,0,0|1,0,0]=2 373 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [0,1,0,0,0,0|2,0,0]=3 374 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [0,1,0,0,0,0|2,0,0]=3 375 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [0,1,0,0,0,0|2,0,0]=3 376 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.15 C=CS(=O)c1ccccc1 TS41168 [0,1,0,0,0,0|3,0,0]=4 378 B10R1.15 CC(=NN)c1ccccc1 TS05912 [0,1,0,0,0,0|2,0,0]=3 379 B10R1.15 CC(=NO)c1ccccc1 TS36930 [0,1,0,0,0,0|2,0,1]=4 380 B10R1.15 CC(=NO)c1cccnc1 TS06046 [0,1,0,0,0,0|1,0,1]=3 381 B10R1.15 CC(CN)c1ccccc1 TS36949 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.15 CC=C(C)c1ccccc1 TS36697 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.15 CCC(=C)c1ccccc1 TS36703 [0,1,0,0,0,0|3,0,0]=4 384 B10R1.15 CCC(=O)c1ccccc1 TS00059 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.15 CCC(=O)c1ccccn1 TS36934 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.15 CCC(=O)c1cccnc1 TS36927 [0,1,0,0,0,0|1,0,0]=2 387 B10R1.15 CCC(=O)c1ccncc1 TS36919 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.15 CCC(=O)c1cnccn1 TS88981 [0,1,0,0,0,0|2,0,0]=3 389 B10R1.15 CCC(c1ccccc1)N TS36947 [0,1,0,0,0,0|2,0,1]=4 390 B10R1.15 CCC(c1cnccn1)N TS90912 [0,1,0,0,0,0|2,0,1]=4 391 B10R1.15 CCN(c1ccccc1)N TS06110 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [0,1,0,0,0,0|2,0,1]=4 393 B10R1.15 CN(C=O)c1ccccc1 TS36925 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.15 CN(c1ccccc1)N=O TS06063 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.15 CNC(=O)c1ccccc1 TS01597 [0,1,0,0,0,0|1,0,0]=2 396 B10R1.15 CNC(=O)c1cccnc1 TS06060 [0,1,0,0,0,0|0,0,0]=1 397 B10R1.15 COC(=N)c1ccccc1 TS45386 [0,1,0,0,0,0|1,0,2]=4 398 B10R1.15 COC(=N)c1cnccn1 TS06178 [0,1,0,0,0,0|1,0,2]=4 399 B10R1.15 COC(=O)c1ccccc1 TS00163 [0,1,0,0,0,0|2,0,0]=3 400 B10R1.15 COC(=O)c1ccccn1 TS06161 [0,1,0,0,0,0|3,0,0]=4 401 B10R1.15 COC(=O)c1cccnc1 TS37100 [0,1,0,0,0,0|1,0,0]=2 402 B10R1.15 COC(=O)c1cccnn1 TS90030 [0,1,0,0,0,0|2,0,0]=3 403 B10R1.15 COC(=O)c1ccncc1 TS06163 [0,1,0,0,0,0|3,0,0]=4 404 B10R1.15 COC(=O)c1ccnnc1 TS90861 [0,1,0,0,0,0|2,0,0]=3 405 B10R1.15 COC(=O)c1cncnc1 TS01558 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.15 COS(=O)c1ccccc1 TS10693 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [0,1,0,0,0,0|2,0,1]=4 408 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [0,1,0,0,0,0|2,0,1]=4 409 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [0,1,0,0,0,0|2,0,1]=4 410 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [0,1,0,0,0,0|2,0,1]=4 411 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [0,1,0,0,0,0|2,0,1]=4 412 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [0,1,0,0,0,0|2,0,1]=4 413 B10R1.15 c1cc(cnc1)C(=NO)N TS08672 [0,1,0,0,0,0|0,0,1]=2 414 B10R1.15 c1cc(cnc1)C(=O)CBr TS09434 [0,1,0,0,0,0|1,0,0]=2 415 B10R1.15 c1cc(cnc1)C(=O)CCl TS94820 [0,1,0,0,0,0|1,0,0]=2 416 B10R1.15 c1cc(cnc1)C(=O)NN TS56400 [0,1,0,0,0,0|0,0,0]=1 417 B10R1.15 c1cc(cnc1)C(=O)NO TS37159 [0,1,0,0,0,0|0,0,0]=1 418 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [0,1,0,0,0,0|0,0,2]=3 419 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [0,1,0,0,0,0|1,0,2]=4 420 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [0,1,0,0,0,0|3,0,0]=4 421 B10R1.15 c1ccc(cc1)C(=NN)Cl TS41464 [0,1,0,0,0,0|2,0,0]=3 422 B10R1.15 c1ccc(cc1)C(=NO)Cl TS10615 [0,1,0,0,0,0|2,0,1]=4 423 B10R1.15 c1ccc(cc1)C(=O)C#N TS05650 [0,1,0,0,0,0|1,0,1]=3 424 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [0,1,0,0,0,0|2,0,0]=3 425 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [0,1,0,0,0,0|2,0,0]=3 426 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [0,1,0,0,0,0|2,0,0]=3 427 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [0,1,0,0,0,0|1,0,0]=2 428 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [0,1,0,0,0,0|2,0,0]=3 429 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [0,1,0,0,0,0|1,0,0]=2 430 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [0,1,0,0,0,0|1,0,0]=2 431 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS11100 [0,1,0,0,0,0|1,0,0]=2 432 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS13711 [0,1,0,0,0,0|1,0,0]=2 433 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [0,1,0,0,0,0|2,0,1]=4 434 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [0,1,0,0,0,0|2,0,1]=4 435 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [0,1,0,0,0,0|2,0,1]=4 436 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [0,1,0,0,0,0|1,0,2]=4 437 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [0,1,0,0,0,0|1,0,2]=4 438 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [0,1,0,0,0,0|1,0,2]=4 439 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS10566 [0,1,0,0,0,0|3,0,0]=4 440 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS70284 [0,1,0,0,0,0|3,0,0]=4 441 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [0,1,0,0,0,0|3,0,0]=4 442 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [0,1,0,0,0,0|1,0,2]=4 443 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [0,1,0,0,0,0|1,0,2]=4 444 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [0,1,0,0,0,0|1,0,2]=4 445 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [0,1,0,0,0,0|1,0,2]=4 446 B10R1.15 c1ccnc(c1)C(=NO)N TS06176 [0,1,0,0,0,0|2,0,1]=4 447 B10R1.15 c1ccnc(c1)C(=O)CBr TS18939 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.15 c1ccnc(c1)C(=O)CBr TS55077 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.15 c1ccnc(c1)C(=O)NN TS06175 [0,1,0,0,0,0|2,0,0]=3 450 B10R1.15 c1cnc(cn1)C(=NO)N TS37168 [0,1,0,0,0,0|1,0,1]=3 451 B10R1.15 c1cnc(cn1)C(=O)CBr TS08470 [0,1,0,0,0,0|2,0,0]=3 452 B10R1.15 c1cnc(cn1)C(=O)NN TS37166 [0,1,0,0,0,0|1,0,0]=2 453 B10R1.15 c1cnccc1C(=NO)N TS77169 [0,1,0,0,0,0|2,0,1]=4 454 B10R1.15 c1cnccc1C(=O)CBr TS16896 [0,1,0,0,0,0|3,0,0]=4 455 B10R1.15 c1cnccc1C(=O)NN TS06172 [0,1,0,0,0,0|2,0,0]=3 456 B10R1.15 c1cncnc1C(=O)NN TS37167 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.28 CC(C)(c1ccccc1)N TS01396 [0,1,0,0,0,0|2,0,1]=4 458 B10R1.28 CC(C)(c1cccnc1)N TS06108 [0,1,0,0,0,0|1,0,1]=3 459 B10R1.28 CP(=O)(c1ccccc1)O TS10652 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.28 CS(=N)(=O)c1ccccc1 TS10592 [0,1,0,0,0,0|2,0,1]=4 461 B10R1.28 CS(=N)(=O)c1ccccc1 TS10595 [0,1,0,0,0,0|2,0,1]=4 462 B10R1.28 CS(=O)(=O)c1ccccc1 TS10691 [0,1,0,0,0,0|3,0,0]=4 463 B10R1.28 c1cc(cnc1)C(F)(F)F TS02515 [0,1,0,0,0,0|2,0,1]=4 464 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl TS59375 [0,1,0,0,0,0|2,0,0]=3 465 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl TS93392 [0,1,0,0,0,0|2,0,0]=3 466 B10R1.28 c1cc(cnc1)S(=O)(=O)O TS02890 [0,1,0,0,0,0|2,0,0]=3 467 B10R1.28 c1cc(cnc1)S(=O)(=O)[O-] TS48048 [0,1,0,0,0,0|2,0,0]=3 468 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl TS59342 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.28 c1ccc(cc1)P(=O)(O)O TS29485 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.28 c1ccc(cc1)P(=O)([O-])[O-] TS38199 [0,1,0,0,0,0|3,0,0]=4 471 B10R1.28 c1ccc(cc1)S(=O)(=O)Br TS49902 [0,1,0,0,0,0|3,0,0]=4 472 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl TS13945 [0,1,0,0,0,0|3,0,0]=4 473 B10R1.28 c1ccc(cc1)S(=O)(=O)F TS11207 [0,1,0,0,0,0|3,0,0]=4 474 B10R1.28 c1ccc(cc1)S(=O)(=O)N TS39806 [0,1,0,0,0,0|2,0,0]=3 475 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS10960 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS24749 [0,1,0,0,0,0|3,0,0]=4 477 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS14548 [0,1,0,0,0,0|3,0,0]=4 478 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS18299 [0,1,0,0,0,0|3,0,0]=4 479 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS34113 [0,1,0,0,0,0|3,0,0]=4 480 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS60104 [0,1,0,0,0,0|3,0,0]=4 481 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS80092 [0,1,0,0,0,0|3,0,0]=4 482 B10R1.28 c1ccc(cc1)S(=O)(=S)[O-] TS18254 [0,1,0,0,0,0|3,0,0]=4 483 B10R1.28 c1ccnc(c1)S(=O)(=O)N TS87031 [0,1,0,0,0,0|3,0,0]=4 484 B10R1.28 c1cnccc1S(=O)(=O)N TS89706 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.61 B(c1cccnc1Cl)(O)O TS55212 [0,1,0,0,0,0|2,0,1]=4 486 B10R1.61 B(c1cccnc1F)(O)O TS94662 [0,1,0,0,0,0|2,0,1]=4 487 B10R1.61 B(c1cnccc1C)(O)O TS46549 [0,1,0,0,0,0|2,0,1]=4 488 B10R1.61 B(c1cnccc1Cl)(O)O TS41827 [0,1,0,0,0,0|2,0,1]=4 489 B10R1.61 CC(=C)c1ccccc1N TS36780 [0,1,0,0,0,0|3,0,0]=4 490 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [0,1,0,0,0,0|3,0,0]=4 491 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [0,1,0,0,0,0|3,0,0]=4 492 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [0,1,0,0,0,0|3,0,0]=4 493 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [0,1,0,0,0,0|3,0,0]=4 494 B10R1.61 CC(=O)c1c(nccn1)Cl TS90872 [0,1,0,0,0,0|2,0,0]=3 495 B10R1.61 CC(=O)c1c(nccn1)N TS87446 [0,1,0,0,0,0|2,0,0]=3 496 B10R1.61 CC(=O)c1ccccc1Br TS54149 [0,1,0,0,0,0|2,0,0]=3 497 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [0,1,0,0,0,0|2,0,0]=3 498 B10R1.61 CC(=O)c1ccccc1F TS37171 [0,1,0,0,0,0|2,0,0]=3 499 B10R1.61 CC(=O)c1ccccc1I TS62238 [0,1,0,0,0,0|2,0,0]=3 500 B10R1.61 CC(=O)c1ccccc1O TS01063 [0,1,0,0,0,0|2,0,0]=3 501 B10R1.61 CC(=O)c1cccnc1Br TS18940 [0,1,0,0,0,0|1,0,0]=2 502 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [0,1,0,0,0,0|1,0,0]=2 503 B10R1.61 CC(=O)c1cccnc1F TS02616 [0,1,0,0,0,0|1,0,0]=2 504 B10R1.61 CC(=O)c1cccnc1N TS08276 [0,1,0,0,0,0|1,0,0]=2 505 B10R1.61 CC(=O)c1ccncc1Br TS18937 [0,1,0,0,0,0|3,0,0]=4 506 B10R1.61 CC(=O)c1ccncc1Br TS76034 [0,1,0,0,0,0|3,0,0]=4 507 B10R1.61 CC(=O)c1ccncc1F TS08156 [0,1,0,0,0,0|3,0,0]=4 508 B10R1.61 CC(=O)c1ccncc1N TS06058 [0,1,0,0,0,0|3,0,0]=4 509 B10R1.61 CC(=O)c1cnccc1F TS37273 [0,1,0,0,0,0|1,0,0]=2 510 B10R1.61 CC(c1ccccc1Cl)N TS10635 [0,1,0,0,0,0|2,0,1]=4 511 B10R1.61 CC(c1ccccc1F)N TS37297 [0,1,0,0,0,0|2,0,1]=4 512 B10R1.61 CC(c1cccnc1Br)N TS19152 [0,1,0,0,0,0|1,0,1]=3 513 B10R1.61 CC(c1cccnc1N)O TS37203 [0,1,0,0,0,0|1,0,2]=4 514 B10R1.61 CS(=O)c1ccccc1O TS41630 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [0,1,0,0,0,0|2,0,1]=4 516 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [0,1,0,0,0,0|2,0,1]=4 517 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [0,1,0,0,0,0|2,0,1]=4 518 B10R1.61 Cc1c(cccn1)C(=O)O TS59977 [0,1,0,0,0,0|1,0,0]=2 519 B10R1.61 Cc1c(cccn1)C(=O)O TS89838 [0,1,0,0,0,0|1,0,0]=2 520 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS01118 [0,1,0,0,0,0|2,0,0]=3 521 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS86948 [0,1,0,0,0,0|2,0,0]=3 522 B10R1.61 Cc1c(ccnn1)C(=O)O TS88637 [0,1,0,0,0,0|2,0,0]=3 523 B10R1.61 Cc1c(nccn1)C(=O)C TS06062 [0,1,0,0,0,0|2,0,0]=3 524 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [0,1,0,0,0,0|2,0,0]=3 525 B10R1.61 Cc1ccccc1C(=C)C TS05768 [0,1,0,0,0,0|3,0,0]=4 526 B10R1.61 Cc1ccccc1C(=N)N TS12937 [0,1,0,0,0,0|2,0,0]=3 527 B10R1.61 Cc1ccccc1C(=O)C TS36852 [0,1,0,0,0,0|2,0,0]=3 528 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [0,1,0,0,0,0|2,0,0]=3 529 B10R1.61 Cc1ccccc1C(=O)N TS36917 [0,1,0,0,0,0|1,0,0]=2 530 B10R1.61 Cc1ccccc1C(=O)O TS01622 [0,1,0,0,0,0|2,0,0]=3 531 B10R1.61 Cc1ccccc1C(=S)N TS41052 [0,1,0,0,0,0|1,1,0]=3 532 B10R1.61 Cc1ccccc1C(C)N TS36951 [0,1,0,0,0,0|2,0,1]=4 533 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [0,1,0,0,0,0|2,0,1]=4 534 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [0,1,0,0,0,0|2,0,1]=4 535 B10R1.61 Cc1ccccc1[N+](=O)[O-] TS37088 [0,1,0,0,0,0|3,0,0]=4 536 B10R1.61 Cc1cccnc1C(=O)O TS37085 [0,1,0,0,0,0|3,0,0]=4 537 B10R1.61 Cc1cccnc1C(=O)O TS60354 [0,1,0,0,0,0|3,0,0]=4 538 B10R1.61 Cc1ccncc1C(=O)O TS39766 [0,1,0,0,0,0|1,0,0]=2 539 B10R1.61 Cc1ccncc1C(=O)O TS71235 [0,1,0,0,0,0|1,0,0]=2 540 B10R1.61 Cc1ccncc1[N+](=O)[O-] TS71233 [0,1,0,0,0,0|2,0,0]=3 541 B10R1.61 Cc1ccnnc1C(=O)O TS87416 [0,1,0,0,0,0|2,0,0]=3 542 B10R1.61 Cc1cnccc1C(=O)N TS02849 [0,1,0,0,0,0|2,0,0]=3 543 B10R1.61 Cc1cnccc1C(=O)O TS06159 [0,1,0,0,0,0|3,0,0]=4 544 B10R1.61 Cc1cnccc1C(=O)O TS86033 [0,1,0,0,0,0|3,0,0]=4 545 B10R1.61 Cc1cnncc1C(=O)O TS87483 [0,1,0,0,0,0|2,0,0]=3 546 B10R1.61 c1c(c(cnn1)N)C(=O)O TS71384 [0,1,0,0,0,0|2,0,0]=3 547 B10R1.61 c1c(c(ncn1)Cl)[N+](=O)[O-] TS11180 [0,1,0,0,0,0|3,0,0]=4 548 B10R1.61 c1c(c(ncn1)N)C(=O)O TS70923 [0,1,0,0,0,0|2,0,0]=3 549 B10R1.61 c1c(c(ncn1)O)C(=O)N TS37260 [0,1,0,0,0,0|1,0,0]=2 550 B10R1.61 c1c(c(ncn1)O)[N+](=O)[O-] TS71154 [0,1,0,0,0,0|3,0,0]=4 551 B10R1.61 c1cc(c(nc1)Br)C(=O)N TS19143 [0,1,0,0,0,0|0,0,0]=1 552 B10R1.61 c1cc(c(nc1)Br)C(=O)O TS00853 [0,1,0,0,0,0|1,0,0]=2 553 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] TS08312 [0,1,0,0,0,0|2,0,0]=3 554 B10R1.61 c1cc(c(nc1)C(=O)N)N TS59602 [0,1,0,0,0,0|2,0,0]=3 555 B10R1.61 c1cc(c(nc1)C(=O)N)O TS06240 [0,1,0,0,0,0|2,0,0]=3 556 B10R1.61 c1cc(c(nc1)C(=O)O)Br TS85444 [0,1,0,0,0,0|3,0,0]=4 557 B10R1.61 c1cc(c(nc1)C(=O)O)Cl TS66011 [0,1,0,0,0,0|3,0,0]=4 558 B10R1.61 c1cc(c(nc1)C(=O)O)F TS70603 [0,1,0,0,0,0|3,0,0]=4 559 B10R1.61 c1cc(c(nc1)C(=O)O)I TS27852 [0,1,0,0,0,0|3,0,0]=4 560 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [0,1,0,0,0,0|3,0,0]=4 561 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [0,1,0,0,0,0|3,0,0]=4 562 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [0,1,0,0,0,0|3,0,0]=4 563 B10R1.61 c1cc(c(nc1)Cl)C(=N)N TS10626 [0,1,0,0,0,0|1,0,0]=2 564 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl TS23000 [0,1,0,0,0,0|1,0,0]=2 565 B10R1.61 c1cc(c(nc1)Cl)C(=O)N TS00077 [0,1,0,0,0,0|0,0,0]=1 566 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS51738 [0,1,0,0,0,0|1,0,0]=2 567 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS55284 [0,1,0,0,0,0|1,0,0]=2 568 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] TS55209 [0,1,0,0,0,0|2,0,0]=3 569 B10R1.61 c1cc(c(nc1)F)C(=O)O TS01039 [0,1,0,0,0,0|1,0,0]=2 570 B10R1.61 c1cc(c(nc1)F)[N+](=O)[O-] TS08407 [0,1,0,0,0,0|2,0,0]=3 571 B10R1.61 c1cc(c(nc1)N)C(=O)N TS06174 [0,1,0,0,0,0|0,0,0]=1 572 B10R1.61 c1cc(c(nc1)N)C(=O)O TS85373 [0,1,0,0,0,0|1,0,0]=2 573 B10R1.61 c1cc(c(nc1)N)C(=O)O TS90622 [0,1,0,0,0,0|1,0,0]=2 574 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] TS00726 [0,1,0,0,0,0|2,0,0]=3 575 B10R1.61 c1cc(c(nc1)O)C(=O)O TS02008 [0,1,0,0,0,0|1,0,0]=2 576 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] TS55387 [0,1,0,0,0,0|2,0,0]=3 577 B10R1.61 c1cc(c(nc1)S)C(=O)O TS41510 [0,1,0,0,0,0|1,0,0]=2 578 B10R1.61 c1cc(c(nc1)S)[N+](=O)[O-] TS02857 [0,1,0,0,0,0|2,0,0]=3 579 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [0,1,0,0,0,0|2,0,0]=3 580 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [0,1,0,0,0,0|2,0,0]=3 581 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [0,1,0,0,0,0|2,0,0]=3 582 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [0,1,0,0,0,0|2,0,0]=3 583 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [0,1,0,0,0,0|2,0,0]=3 584 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [0,1,0,0,0,0|1,0,0]=2 585 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [0,1,0,0,0,0|1,0,0]=2 586 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [0,1,0,0,0,0|1,0,0]=2 587 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [0,1,0,0,0,0|1,0,0]=2 588 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [0,1,0,0,0,0|1,0,0]=2 589 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [0,1,0,0,0,0|1,0,0]=2 590 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [0,1,0,0,0,0|2,0,0]=3 591 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [0,1,0,0,0,0|2,0,0]=3 592 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [0,1,0,0,0,0|2,0,0]=3 593 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [0,1,0,0,0,0|2,0,0]=3 594 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [0,1,0,0,0,0|2,0,0]=3 595 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [0,1,0,0,0,0|2,0,0]=3 596 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [0,1,0,0,0,0|2,0,0]=3 597 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [0,1,0,0,0,0|2,0,0]=3 598 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [0,1,0,0,0,0|2,0,0]=3 599 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [0,1,0,0,0,0|2,0,0]=3 600 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [0,1,0,0,0,0|2,0,0]=3 601 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [0,1,0,0,0,0|2,0,0]=3 602 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [0,1,0,0,0,0|2,0,0]=3 603 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [0,1,0,0,0,0|2,0,0]=3 604 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [0,1,0,0,0,0|2,0,0]=3 605 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [0,1,0,0,0,0|2,0,0]=3 606 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [0,1,0,0,0,0|2,0,0]=3 607 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [0,1,0,0,0,0|2,0,0]=3 608 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [0,1,0,0,0,0|2,0,0]=3 609 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [0,1,0,0,0,0|2,0,0]=3 610 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [0,1,0,0,0,0|2,0,0]=3 611 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [0,1,0,0,0,0|2,0,0]=3 612 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [0,1,0,0,0,0|1,1,0]=3 613 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [0,1,0,0,0,0|1,1,0]=3 614 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [0,1,0,0,0,0|1,1,0]=3 615 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [0,1,0,0,0,0|1,1,0]=3 616 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [0,1,0,0,0,0|1,1,0]=3 617 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS37160 [0,1,0,0,0,0|3,0,0]=4 618 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS45867 [0,1,0,0,0,0|3,0,0]=4 619 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br TS46919 [0,1,0,0,0,0|3,0,0]=4 620 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl TS41833 [0,1,0,0,0,0|3,0,0]=4 621 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F TS01030 [0,1,0,0,0,0|3,0,0]=4 622 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I TS46971 [0,1,0,0,0,0|3,0,0]=4 623 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [0,1,0,0,0,0|3,0,0]=4 624 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [0,1,0,0,0,0|3,0,0]=4 625 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S TS09401 [0,1,0,0,0,0|3,0,0]=4 626 B10R1.61 c1cnc(c(n1)C(=O)N)O TS60014 [0,1,0,0,0,0|1,0,0]=2 627 B10R1.61 c1cnc(c(n1)C(=O)O)Cl TS66008 [0,1,0,0,0,0|2,0,0]=3 628 B10R1.61 c1cnc(c(n1)C(=O)O)N TS37261 [0,1,0,0,0,0|2,0,0]=3 629 B10R1.61 c1cnc(c(n1)C(=O)O)O TS16634 [0,1,0,0,0,0|2,0,0]=3 630 B10R1.61 c1cnc(c(n1)[N+](=O)[O-])Cl TS02022 [0,1,0,0,0,0|3,0,0]=4 631 B10R1.61 c1cncc(c1Br)C(=O)O TS70996 [0,1,0,0,0,0|1,0,0]=2 632 B10R1.61 c1cncc(c1Br)[N+](=O)[O-] TS70979 [0,1,0,0,0,0|2,0,0]=3 633 B10R1.61 c1cncc(c1C(=O)N)Br TS65950 [0,1,0,0,0,0|2,0,0]=3 634 B10R1.61 c1cncc(c1C(=O)O)Br TS75153 [0,1,0,0,0,0|3,0,0]=4 635 B10R1.61 c1cncc(c1C(=O)O)Br TS85456 [0,1,0,0,0,0|3,0,0]=4 636 B10R1.61 c1cncc(c1C(=O)O)Cl TS02717 [0,1,0,0,0,0|3,0,0]=4 637 B10R1.61 c1cncc(c1C(=O)O)F TS70583 [0,1,0,0,0,0|3,0,0]=4 638 B10R1.61 c1cncc(c1C(=O)O)I TS70630 [0,1,0,0,0,0|3,0,0]=4 639 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [0,1,0,0,0,0|3,0,0]=4 640 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [0,1,0,0,0,0|3,0,0]=4 641 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [0,1,0,0,0,0|3,0,0]=4 642 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [0,1,0,0,0,0|3,0,0]=4 643 B10R1.61 c1cncc(c1Cl)C(=O)O TS09676 [0,1,0,0,0,0|1,0,0]=2 644 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] TS09651 [0,1,0,0,0,0|2,0,0]=3 645 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] TS09652 [0,1,0,0,0,0|2,0,0]=3 646 B10R1.61 c1cncc(c1F)C(=O)O TS71139 [0,1,0,0,0,0|1,0,0]=2 647 B10R1.61 c1cncc(c1F)[N+](=O)[O-] TS60405 [0,1,0,0,0,0|2,0,0]=3 648 B10R1.61 c1cncc(c1N)C(=O)N TS70898 [0,1,0,0,0,0|0,0,0]=1 649 B10R1.61 c1cncc(c1N)C(=O)O TS37157 [0,1,0,0,0,0|1,0,0]=2 650 B10R1.61 c1cncc(c1N)C(=O)O TS85415 [0,1,0,0,0,0|1,0,0]=2 651 B10R1.61 c1cncc(c1N)[N+](=O)[O-] TS70897 [0,1,0,0,0,0|2,0,0]=3 652 B10R1.61 c1cncc(c1O)C(=O)O TS03130 [0,1,0,0,0,0|1,0,0]=2 653 B10R1.61 c1cncc(c1O)[N+](=O)[O-] TS86034 [0,1,0,0,0,0|2,0,0]=3 654 B10R1.61 c1cnnc(c1C(=O)O)N TS02642 [0,1,0,0,0,0|2,0,0]=3 655 B10R1.61 c1cnnc(c1N)C(=O)O TS32795 [0,1,0,0,0,0|2,0,0]=3 656 B10R1.61 c1nc(c(nn1)N)C(=O)O TS06417 [0,1,0,0,0,0|3,0,0]=4 657 B10R1.113 B(c1cc(cnc1)Br)(O)O TS19297 [0,1,0,0,0,0|2,0,1]=4 658 B10R1.113 B(c1cc(cnc1)Cl)(O)O TS71523 [0,1,0,0,0,0|2,0,1]=4 659 B10R1.113 B(c1cc(cnc1)F)(O)O TS71550 [0,1,0,0,0,0|2,0,1]=4 660 B10R1.113 B(c1cc(cnc1)N)(O)O TS60330 [0,1,0,0,0,0|2,0,1]=4 661 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [0,1,0,0,0,0|1,0,0]=2 662 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [0,1,0,0,0,0|1,0,0]=2 663 B10R1.113 CC(=O)c1ccc[n+](c1)[O-] TS06167 [0,1,0,0,0,0|1,0,1]=3 664 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [0,1,0,0,0,0|2,0,0]=3 665 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [0,1,0,0,0,0|2,0,0]=3 666 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [0,1,0,0,0,0|2,0,0]=3 667 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [0,1,0,0,0,0|2,0,0]=3 668 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [0,1,0,0,0,0|2,0,0]=3 669 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [0,1,0,0,0,0|2,0,0]=3 670 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [0,1,0,0,0,0|3,0,0]=4 671 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [0,1,0,0,0,0|3,0,0]=4 672 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [0,1,0,0,0,0|3,0,0]=4 673 B10R1.113 CC(c1cccc(c1)Br)N TS37847 [0,1,0,0,0,0|2,0,1]=4 674 B10R1.113 CC(c1cccc(c1)F)N TS37298 [0,1,0,0,0,0|2,0,1]=4 675 B10R1.113 CC(c1cccc(c1)N)N TS37034 [0,1,0,0,0,0|2,0,1]=4 676 B10R1.113 CN1CC(=CC=C1)C(=O)N TS68775 [0,1,0,0,0,0|0,0,2]=3 677 B10R1.113 C[C@@H](c1cccc(c1)Cl)N TS08102 [0,1,0,0,0,0|2,0,1]=4 678 B10R1.113 C[C@@H](c1cccc(c1)F)N TS08103 [0,1,0,0,0,0|2,0,1]=4 679 B10R1.113 C[C@@H](c1cccc(c1)F)N TS13761 [0,1,0,0,0,0|2,0,1]=4 680 B10R1.113 C[C@H](c1cccc(c1)Cl)N TS46592 [0,1,0,0,0,0|2,0,1]=4 681 B10R1.113 C[C@H](c1cccc(c1)F)N TS46593 [0,1,0,0,0,0|2,0,1]=4 682 B10R1.113 C[C@H](c1cccc(c1)N)N TS06099 [0,1,0,0,0,0|2,0,1]=4 683 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [0,1,0,0,0,0|0,0,1]=2 684 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [0,1,0,0,0,0|3,0,0]=4 685 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [0,1,0,0,0,0|3,0,0]=4 686 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [0,1,0,0,0,0|0,0,0]=1 687 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [0,1,0,0,0,0|1,0,0]=2 688 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [0,1,0,0,0,0|1,0,0]=2 689 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] TS02835 [0,1,0,0,0,0|2,0,0]=3 690 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [0,1,0,0,0,0|2,0,0]=3 691 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [0,1,0,0,0,0|2,0,0]=3 692 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [0,1,0,0,0,0|2,0,0]=3 693 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [0,1,0,0,0,0|1,0,0]=2 694 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [0,1,0,0,0,0|2,0,0]=3 695 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [0,1,0,0,0,0|1,1,0]=3 696 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [0,1,0,0,0,0|3,0,0]=4 697 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [0,1,0,0,0,0|2,0,1]=4 698 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [0,1,0,0,0,0|2,0,1]=4 699 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [0,1,0,0,0,0|3,0,0]=4 700 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [0,1,0,0,0,0|3,0,0]=4 701 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [0,1,0,0,0,0|3,0,0]=4 702 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [0,1,0,0,0,0|3,0,0]=4 703 B10R1.113 c1c(cn[nH]c1=O)C(=O)O TS06410 [0,1,0,0,0,0|2,0,0]=3 704 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [0,1,0,0,0,0|1,0,0]=2 705 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [0,1,0,0,0,0|0,0,0]=1 706 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [0,1,0,0,0,0|1,0,0]=2 707 B10R1.113 c1c(cncc1Br)[N+](=O)[O-] TS65940 [0,1,0,0,0,0|2,0,0]=3 708 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [0,1,0,0,0,0|1,0,0]=2 709 B10R1.113 c1c(cncc1Cl)[N+](=O)[O-] TS02699 [0,1,0,0,0,0|2,0,0]=3 710 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [0,1,0,0,0,0|1,0,0]=2 711 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [0,1,0,0,0,0|0,0,0]=1 712 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [0,1,0,0,0,0|1,0,0]=2 713 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [0,1,0,0,0,0|1,0,0]=2 714 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [0,1,0,0,0,0|1,0,0]=2 715 B10R1.113 c1c(cncc1O)[N+](=O)[O-] TS06415 [0,1,0,0,0,0|2,0,0]=3 716 B10R1.113 c1c(cncc1[N+](=O)[O-])N TS01168 [0,1,0,0,0,0|2,0,0]=3 717 B10R1.113 c1c(cnnc1Cl)C(=O)O TS90511 [0,1,0,0,0,0|2,0,0]=3 718 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [0,1,0,0,0,0|2,0,0]=3 719 B10R1.113 c1cc(c[n+](c1)[O-])C(=S)N TS41392 [0,1,0,0,0,0|0,1,1]=3 720 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS09478 [0,1,0,0,0,0|2,0,0]=3 721 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS54155 [0,1,0,0,0,0|2,0,0]=3 722 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [0,1,0,0,0,0|2,0,0]=3 723 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [0,1,0,0,0,0|1,0,0]=2 724 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [0,1,0,0,0,0|2,0,0]=3 725 B10R1.113 c1cc(cc(c1)Br)C(=S)N TS21980 [0,1,0,0,0,0|1,1,0]=3 726 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] TS16330 [0,1,0,0,0,0|3,0,0]=4 727 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS41463 [0,1,0,0,0,0|2,0,0]=3 728 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS51244 [0,1,0,0,0,0|2,0,0]=3 729 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [0,1,0,0,0,0|2,0,0]=3 730 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [0,1,0,0,0,0|1,0,0]=2 731 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [0,1,0,0,0,0|2,0,0]=3 732 B10R1.113 c1cc(cc(c1)Cl)C(=S)N TS45392 [0,1,0,0,0,0|1,1,0]=3 733 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] TS41831 [0,1,0,0,0,0|3,0,0]=4 734 B10R1.113 c1cc(cc(c1)F)C(=N)N TS13606 [0,1,0,0,0,0|2,0,0]=3 735 B10R1.113 c1cc(cc(c1)F)C(=N)N TS37176 [0,1,0,0,0,0|2,0,0]=3 736 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [0,1,0,0,0,0|2,0,0]=3 737 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [0,1,0,0,0,0|1,0,0]=2 738 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [0,1,0,0,0,0|2,0,0]=3 739 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [0,1,0,0,0,0|2,0,0]=3 740 B10R1.113 c1cc(cc(c1)F)C(=S)N TS41514 [0,1,0,0,0,0|1,1,0]=3 741 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [0,1,0,0,0,0|2,0,0]=3 742 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [0,1,0,0,0,0|1,0,0]=2 743 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [0,1,0,0,0,0|2,0,0]=3 744 B10R1.113 c1cc(cc(c1)I)C(=S)N TS29885 [0,1,0,0,0,0|1,1,0]=3 745 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] TS27853 [0,1,0,0,0,0|3,0,0]=4 746 B10R1.113 c1cc(cc(c1)N)C(=N)N TS20481 [0,1,0,0,0,0|2,0,0]=3 747 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [0,1,0,0,0,0|1,0,0]=2 748 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [0,1,0,0,0,0|2,0,0]=3 749 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [0,1,0,0,0,0|2,0,0]=3 750 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [0,1,0,0,0,0|2,0,0]=3 751 B10R1.113 c1cc(cc(c1)N)C(=S)N TS41179 [0,1,0,0,0,0|1,1,0]=3 752 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [0,1,0,0,0,0|1,0,0]=2 753 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [0,1,0,0,0,0|2,0,0]=3 754 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [0,1,0,0,0,0|2,0,0]=3 755 B10R1.113 c1cc(cc(c1)O)C(=S)N TS10338 [0,1,0,0,0,0|1,1,0]=3 756 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] TS01569 [0,1,0,0,0,0|3,0,0]=4 757 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [0,1,0,0,0,0|2,0,0]=3 758 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N TS02863 [0,1,0,0,0,0|3,0,0]=4 759 B10R1.113 c1cc(cn(=O)c1)C(=O)N TS37161 [0,1,0,0,0,0|0,0,1]=2 760 B10R1.113 c1cc(cn(=O)c1)C(=O)O TS06349 [0,1,0,0,0,0|1,0,1]=3 761 B10R1.113 c1cc(nc(c1)Br)C(=N)N TS25961 [0,1,0,0,0,0|3,0,0]=4 762 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [0,1,0,0,0,0|2,0,0]=3 763 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [0,1,0,0,0,0|3,0,0]=4 764 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [0,1,0,0,0,0|3,0,0]=4 765 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [0,1,0,0,0,0|3,0,0]=4 766 B10R1.113 c1cc(nc(c1)I)C(=O)N TS62507 [0,1,0,0,0,0|2,0,0]=3 767 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [0,1,0,0,0,0|3,0,0]=4 768 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [0,1,0,0,0,0|3,0,0]=4 769 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [0,1,0,0,0,0|3,0,0]=4 770 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [0,1,0,0,0,0|3,0,0]=4 771 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [0,1,0,0,0,0|2,0,0]=3 772 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [0,1,0,0,0,0|3,0,0]=4 773 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [0,1,0,0,0,0|3,0,0]=4 774 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [0,1,0,0,0,0|2,0,0]=3 775 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [0,1,0,0,0,0|2,0,0]=3 776 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [0,1,0,0,0,0|2,0,0]=3 777 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [0,1,0,0,0,0|3,0,0]=4 778 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [0,1,0,0,0,0|3,0,0]=4 779 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [0,1,0,0,0,0|3,0,0]=4 780 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [0,1,0,0,0,0|3,0,0]=4 781 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [0,1,0,0,0,0|3,0,0]=4 782 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [0,1,0,0,0,0|3,0,0]=4 783 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [0,1,0,0,0,0|3,0,0]=4 784 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [0,1,0,0,0,0|2,0,0]=3 785 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [0,1,0,0,0,0|3,0,0]=4 786 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [0,1,0,0,0,0|3,0,0]=4 787 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [0,1,0,0,0,0|3,0,0]=4 788 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [0,1,0,0,0,0|3,0,0]=4 789 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [0,1,0,0,0,0|3,0,0]=4 790 B10R1.113 c1cnc(nc1C(=O)N)Cl TS88415 [0,1,0,0,0,0|3,0,0]=4 791 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [0,1,0,0,0,0|3,0,0]=4 792 B8R0.7 C(=CSC=NN)C(=O)O TS62002 [0,0,1,0,0,0|3,0,0]=4 793 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [0,0,0,1,0,0|2,0,0]=3 794 B8R1.7 C1C(=NC=N1)C(=O)O TS04278 [0,0,0,0,1,0|2,0,1]=4 795 B8R1.7 C1C=C[C@H](N1)C(=O)N TS40706 [0,0,0,0,1,0|0,0,3]=4 796 B8R1.7 CC(=C)c1nccs1 TS05103 [0,0,0,0,1,0|3,0,0]=4 797 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [0,0,0,0,1,0|1,0,1]=3 798 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [0,0,0,0,1,0|2,0,0]=3 799 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [0,0,0,0,1,0|2,0,0]=3 800 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [0,0,0,0,1,0|1,0,1]=3 801 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [0,0,0,0,1,0|1,0,1]=3 802 B8R1.7 CC(=O)c1ccco1 TS04188 [0,0,0,0,1,0|2,0,0]=3 803 B8R1.7 CC(=O)c1cccs1 TS08262 [0,0,0,0,1,0|2,0,0]=3 804 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [0,0,0,0,1,0|2,0,0]=3 805 B8R1.7 CC(=O)c1ccns1 TS05261 [0,0,0,0,1,0|2,0,0]=3 806 B8R1.7 CC(=O)c1ccsc1 TS65833 [0,0,0,0,1,0|2,0,0]=3 807 B8R1.7 CC(=O)c1cncs1 TS46736 [0,0,0,0,1,0|2,0,0]=3 808 B8R1.7 CC(=O)c1cnns1 TS05327 [0,0,0,0,1,0|3,0,0]=4 809 B8R1.7 CC(=O)c1nccs1 TS08261 [0,0,0,0,1,0|2,0,0]=3 810 B8R1.7 CC(=O)n1cccn1 TS04194 [0,0,0,0,1,0|2,0,0]=3 811 B8R1.7 CC(=O)n1ccnc1 TS93594 [0,0,0,0,1,0|2,0,0]=3 812 B8R1.7 CC(c1ccco1)N TS04253 [0,0,0,0,1,0|2,0,1]=4 813 B8R1.7 CC(c1ccoc1)N TS31874 [0,0,0,0,1,0|2,0,1]=4 814 B8R1.7 CC(c1cscn1)N TS77127 [0,0,0,0,1,0|2,0,1]=4 815 B8R1.7 c1[nH]nc(n1)C(=O)N TS04279 [0,0,0,0,1,0|2,0,0]=3 816 B8R1.7 c1[nH]nc(n1)C(=O)O TS46767 [0,0,0,0,1,0|3,0,0]=4 817 B8R1.7 c1c(cn[nH]1)C(=O)O TS00455 [0,0,0,0,1,0|2,0,0]=3 818 B8R1.7 c1c(cn[nH]1)C(=S)N TS05271 [0,0,0,0,1,0|1,1,0]=3 819 B8R1.7 c1c(cn[nH]1)[N+](=O)[O-] TS31999 [0,0,0,0,1,0|3,0,0]=4 820 B8R1.7 c1c(con1)C(=O)O TS56204 [0,0,0,0,1,0|2,0,0]=3 821 B8R1.7 c1c(con1)[N+](=O)[O-] TS09753 [0,0,0,0,1,0|3,0,0]=4 822 B8R1.7 c1c(nc[nH]1)C(=O)N TS93616 [0,0,0,0,1,0|1,0,0]=2 823 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [0,0,0,0,1,0|2,0,0]=3 824 B8R1.7 c1c(nc[nH]1)C(=S)N TS05269 [0,0,0,0,1,0|1,1,0]=3 825 B8R1.7 c1c(nc[nH]1)C(=S)S TS40224 [0,0,0,0,1,0|2,1,0]=4 826 B8R1.7 c1c(nc[nH]1)[N+](=O)[O-] TS60066 [0,0,0,0,1,0|3,0,0]=4 827 B8R1.7 c1c(nco1)C(=O)O TS00378 [0,0,0,0,1,0|2,0,0]=3 828 B8R1.7 c1c(nco1)C(=S)N TS05326 [0,0,0,0,1,0|1,1,0]=3 829 B8R1.7 c1c(ncs1)C(=O)N TS01722 [0,0,0,0,1,0|1,0,0]=2 830 B8R1.7 c1c(ncs1)C(=S)N TS40225 [0,0,0,0,1,0|1,1,0]=3 831 B8R1.7 c1c(nn[nH]1)C(=O)O TS32000 [0,0,0,0,1,0|3,0,0]=4 832 B8R1.7 c1c(nn[nH]1)C(=S)N TS05331 [0,0,0,0,1,0|2,1,0]=4 833 B8R1.7 c1c(nns1)C(=O)N TS05450 [0,0,0,0,1,0|2,0,0]=3 834 B8R1.7 c1c(nns1)C(=O)O TS59879 [0,0,0,0,1,0|3,0,0]=4 835 B8R1.7 c1c(non1)C(=O)O TS59880 [0,0,0,0,1,0|3,0,0]=4 836 B8R1.7 c1c(nsn1)C(=O)O TS46770 [0,0,0,0,1,0|3,0,0]=4 837 B8R1.7 c1c(ocn1)C(=O)N TS04275 [0,0,0,0,1,0|1,0,0]=2 838 B8R1.7 c1c(ocn1)C(=O)O TS01173 [0,0,0,0,1,0|2,0,0]=3 839 B8R1.7 c1c(ocn1)C(=S)N TS05325 [0,0,0,0,1,0|1,1,0]=3 840 B8R1.7 c1c(scn1)C(=S)N TS40223 [0,0,0,0,1,0|1,1,0]=3 841 B8R1.7 c1c[nH]cc1[N+](=O)[O-] TS04276 [0,0,0,0,1,0|2,0,1]=4 842 B8R1.7 c1c[nH]nc1C(=O)N TS00453 [0,0,0,0,1,0|1,0,0]=2 843 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [0,0,0,0,1,0|2,0,0]=3 844 B8R1.7 c1c[nH]nc1[N+](=O)[O-] TS55490 [0,0,0,0,1,0|3,0,0]=4 845 B8R1.7 c1cc([nH]c1)C(=N)N TS31801 [0,0,0,0,1,0|1,0,1]=3 846 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [0,0,0,0,1,0|0,0,1]=2 847 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [0,0,0,0,1,0|1,0,1]=3 848 B8R1.7 c1cc(oc1)C(=N)N TS31821 [0,0,0,0,1,0|2,0,0]=3 849 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [0,0,0,0,1,0|2,0,0]=3 850 B8R1.7 c1cc(oc1)C(=O)N TS04237 [0,0,0,0,1,0|1,0,0]=2 851 B8R1.7 c1cc(oc1)C(=O)O TS04269 [0,0,0,0,1,0|2,0,0]=3 852 B8R1.7 c1cc(oc1)C(=S)N TS05264 [0,0,0,0,1,0|1,1,0]=3 853 B8R1.7 c1cc(oc1)[N+](=O)[O-] TS07968 [0,0,0,0,1,0|3,0,0]=4 854 B8R1.7 c1cc(sc1)C(=N)N TS08265 [0,0,0,0,1,0|2,0,0]=3 855 B8R1.7 c1cc(sc1)C(=N)N TS36145 [0,0,0,0,1,0|2,0,0]=3 856 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [0,0,0,0,1,0|2,0,0]=3 857 B8R1.7 c1cc(sc1)C(=O)N TS05268 [0,0,0,0,1,0|1,0,0]=2 858 B8R1.7 c1cc(sc1)C(=O)O TS59443 [0,0,0,0,1,0|2,0,0]=3 859 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [0,0,0,0,1,0|2,0,0]=3 860 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [0,0,0,0,1,0|2,0,0]=3 861 B8R1.7 c1cc(sc1)[N+](=O)[O-] TS09400 [0,0,0,0,1,0|3,0,0]=4 862 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [0,0,0,0,1,0|1,0,1]=3 863 B8R1.7 c1cnc([nH]1)C(=N)N TS86302 [0,0,0,0,1,0|2,0,0]=3 864 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [0,0,0,0,1,0|2,0,0]=3 865 B8R1.7 c1cnc([nH]1)C(=S)N TS05270 [0,0,0,0,1,0|1,1,0]=3 866 B8R1.7 c1cnc([nH]1)[N+](=O)[O-] TS09392 [0,0,0,0,1,0|3,0,0]=4 867 B8R1.7 c1cnc([nH]1)[N+](=O)[O-] TS94750 [0,0,0,0,1,0|3,0,0]=4 868 B8R1.7 c1cnn(c1)[N+](=O)[O-] TS00503 [0,0,0,0,1,0|3,0,0]=4 869 B8R1.7 c1cnoc1C(=O)Cl TS56205 [0,0,0,0,1,0|2,0,0]=3 870 B8R1.7 c1cnoc1C(=O)N TS04271 [0,0,0,0,1,0|1,0,0]=2 871 B8R1.7 c1cnoc1C(=S)N TS05329 [0,0,0,0,1,0|1,1,0]=3 872 B8R1.7 c1cnsc1C(=O)O TS05447 [0,0,0,0,1,0|2,0,0]=3 873 B8R1.7 c1coc(n1)C(=O)N TS04277 [0,0,0,0,1,0|1,0,0]=2 874 B8R1.7 c1coc(n1)C(=O)O TS39923 [0,0,0,0,1,0|2,0,0]=3 875 B8R1.7 c1coc(n1)C(=S)N TS05328 [0,0,0,0,1,0|1,1,0]=3 876 B8R1.7 c1cocc1C(=N)N TS07281 [0,0,0,0,1,0|2,0,0]=3 877 B8R1.7 c1cocc1C(=O)Cl TS36565 [0,0,0,0,1,0|2,0,0]=3 878 B8R1.7 c1cocc1C(=O)O TS02783 [0,0,0,0,1,0|2,0,0]=3 879 B8R1.7 c1cocc1C(=O)O TS13775 [0,0,0,0,1,0|2,0,0]=3 880 B8R1.7 c1cocc1C(=S)N TS05267 [0,0,0,0,1,0|1,1,0]=3 881 B8R1.7 c1conc1C(=O)O TS00353 [0,0,0,0,1,0|2,0,0]=3 882 B8R1.7 c1csc(n1)C(=N)N TS89084 [0,0,0,0,1,0|2,0,0]=3 883 B8R1.7 c1csc(n1)C(=O)O TS05448 [0,0,0,0,1,0|2,0,0]=3 884 B8R1.7 c1csc(n1)C(=O)O TS85376 [0,0,0,0,1,0|2,0,0]=3 885 B8R1.7 c1csc(n1)[N+](=O)[O-] TS36466 [0,0,0,0,1,0|3,0,0]=4 886 B8R1.7 c1cscc1C(=N)N TS11635 [0,0,0,0,1,0|2,0,0]=3 887 B8R1.7 c1cscc1C(=O)Cl TS22828 [0,0,0,0,1,0|2,0,0]=3 888 B8R1.7 c1cscc1C(=O)O TS59444 [0,0,0,0,1,0|2,0,0]=3 889 B8R1.7 c1cscc1C(=S)N TS06880 [0,0,0,0,1,0|1,1,0]=3 890 B8R1.7 c1csnc1C(=O)O TS91622 [0,0,0,0,1,0|2,0,0]=3 891 B8R1.7 c1nc(no1)C(=S)N TS05451 [0,0,0,0,1,0|2,1,0]=4 892 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [0,0,0,0,0,1|3,0,0]=4 893 B10R1.18 CC(=Cc1ccccc1)C TS36699 [0,0,0,0,0,1|3,0,0]=4 894 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [0,0,0,0,0,1|3,0,0]=4 895 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [0,0,0,0,0,1|3,0,0]=4 896 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [0,0,0,0,0,1|2,0,0]=3 897 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [0,0,0,0,0,1|3,0,0]=4 898 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [0,0,0,0,0,1|1,0,0]=2 899 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [0,0,0,0,0,1|1,0,0]=2 900 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [0,0,0,0,0,1|3,0,0]=4 901 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [0,0,0,0,0,1|2,0,0]=3 902 B10R1.18 CC(=O)Nc1ccccn1 TS36993 [0,0,0,0,0,1|3,0,0]=4 903 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [0,0,0,0,0,1|1,0,0]=2 904 B10R1.18 CC(=O)Nc1ccncc1 TS65112 [0,0,0,0,0,1|3,0,0]=4 905 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [0,0,0,0,0,1|1,0,0]=2 906 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [0,0,0,0,0,1|2,0,0]=3 907 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [0,0,0,0,0,1|2,1,0]=4 908 B10R1.18 CC(C)Cc1cccnc1 TS06005 [0,0,0,0,0,1|2,0,1]=4 909 B10R1.18 CC(C)Nc1cccnc1 TS64905 [0,0,0,0,0,1|2,0,1]=4 910 B10R1.18 CC(Cc1ccccc1)N TS06010 [0,0,0,0,0,1|2,0,1]=4 911 B10R1.18 CC(Cc1cccnc1)N TS00050 [0,0,0,0,0,1|1,0,1]=3 912 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [0,0,0,0,0,1|3,0,0]=4 913 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [0,0,0,0,0,1|2,0,1]=4 914 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [0,0,0,0,0,1|2,0,1]=4 915 B10R1.18 c1c(cncn1)CC(=O)O TS37158 [0,0,0,0,0,1|2,0,0]=3 916 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [0,0,0,0,0,1|1,0,0]=2 917 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [0,0,0,0,0,1|1,0,0]=2 918 B10R1.18 c1cc(cnc1)NC(=S)N TS59320 [0,0,0,0,0,1|0,1,0]=2 919 B10R1.18 c1cc(nnc1)CC(=O)O TS86714 [0,0,0,0,0,1|2,0,0]=3 920 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [0,0,0,0,0,1|2,0,0]=3 921 B10R1.18 c1cc[n+](cc1)CC(=O)O TS13410 [0,0,0,0,0,1|3,0,0]=4 922 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [0,0,0,0,0,1|2,0,0]=3 923 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [0,0,0,0,0,1|1,0,0]=2 924 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [0,0,0,0,0,1|2,0,0]=3 925 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [0,0,0,0,0,1|2,0,0]=3 926 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [0,0,0,0,0,1|2,0,0]=3 927 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [0,0,0,0,0,1|2,0,0]=3 928 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [0,0,0,0,0,1|1,1,0]=3 929 B10R1.18 c1ccc(cc1)N=C(N)N TS53990 [0,0,0,0,0,1|2,0,0]=3 930 B10R1.18 c1ccc(cc1)NC(=N)N TS53844 [0,0,0,0,0,1|2,0,0]=3 931 B10R1.18 c1ccc(cc1)NC(=O)F TS37274 [0,0,0,0,0,1|2,0,0]=3 932 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [0,0,0,0,0,1|1,0,0]=2 933 B10R1.18 c1ccc(cc1)NC(=S)N TS41175 [0,0,0,0,0,1|1,1,0]=3 934 B10R1.18 c1ccc(cc1)OC(=O)Cl TS10789 [0,0,0,0,0,1|2,0,0]=3 935 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [0,0,0,0,0,1|1,0,0]=2 936 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45574 [0,0,0,0,0,1|2,1,0]=4 937 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45577 [0,0,0,0,0,1|2,1,0]=4 938 B10R1.18 c1ccc(cc1)SC(=S)Cl TS16100 [0,0,0,0,0,1|2,1,0]=4 939 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [0,0,0,0,0,1|2,0,0]=3 940 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [0,0,0,0,0,1|3,0,0]=4 941 B10R1.18 c1ccnc(c1)NC(=O)N TS06170 [0,0,0,0,0,1|2,0,0]=3 942 B10R1.18 c1cnc(cn1)CC(=O)O TS02465 [0,0,0,0,0,1|2,0,0]=3 943 B10R1.18 c1cnccc1CC(=O)N TS36994 [0,0,0,0,0,1|2,0,0]=3 944 B10R1.18 c1cnccc1NC(=S)N TS41286 [0,0,0,0,0,1|2,1,0]=4 945 B10R1.18 c1cnncc1CC(=O)O TS90855 [0,0,0,0,0,1|2,0,0]=3 946 B7R0.1 CCC=CC=CC=O TS04199 [1,0,1,0,0,0|1,0,1]=4 947 B7R0.4 CC(=O)OC=CC=C TS31913 [1,0,1,0,0,0|2,0,0]=4 948 B7R0.4 CC=CC=CC(=O)C TS31841 [1,0,1,0,0,0|1,0,1]=4 949 B7R0.4 CC=CC=CC(=O)O TS31914 [1,0,1,0,0,0|1,0,1]=4 950 B7R0.4 CC=CC=CC(=O)[O-] TS09910 [1,0,1,0,0,0|1,0,1]=4 951 B7R0.4 CC=CC=CC(=O)[O-] TS29798 [1,0,1,0,0,0|1,0,1]=4 952 B7R1.3 Cc1ccccc1 TS71861 [2,0,0,0,0,0|1,0,1]=4 953 B7R1.3 Cc1cccnc1 TS39719 [2,0,0,0,0,0|0,0,1]=3 954 B7R1.3 Cc1cccnn1 TS70675 [2,0,0,0,0,0|1,0,1]=4 955 B7R1.3 Cc1ccnnc1 TS03181 [2,0,0,0,0,0|1,0,1]=4 956 B7R1.3 Cc1cnccn1 TS02445 [2,0,0,0,0,0|1,0,1]=4 957 B7R1.3 Cc1cncnc1 TS01164 [2,0,0,0,0,0|1,0,1]=4 958 B7R1.3 [Li]c1ccccc1 TS03475 [2,0,0,0,0,0|2,0,0]=4 959 B7R1.3 c1c(cncn1)Br TS09816 [2,0,0,0,0,0|2,0,0]=4 960 B7R1.3 c1c(cncn1)Cl TS71524 [2,0,0,0,0,0|2,0,0]=4 961 B7R1.3 c1c(cncn1)F TS71551 [2,0,0,0,0,0|2,0,0]=4 962 B7R1.3 c1c(cncn1)N TS71385 [2,0,0,0,0,0|1,0,0]=3 963 B7R1.3 c1c(cncn1)O TS03344 [2,0,0,0,0,0|1,0,1]=4 964 B7R1.3 c1cc(cnc1)Br TS09497 [2,0,0,0,0,0|1,0,0]=3 965 B7R1.3 c1cc(cnc1)Cl TS66010 [2,0,0,0,0,0|1,0,0]=3 966 B7R1.3 c1cc(cnc1)F TS02768 [2,0,0,0,0,0|1,0,0]=3 967 B7R1.3 c1cc(cnc1)I TS70634 [2,0,0,0,0,0|1,0,0]=3 968 B7R1.3 c1cc(cnc1)N TS02672 [2,0,0,0,0,0|0,0,0]=2 969 B7R1.3 c1cc(cnc1)O TS32269 [2,0,0,0,0,0|0,0,1]=3 970 B7R1.3 c1cc(nnc1)Cl TS66009 [2,0,0,0,0,0|2,0,0]=4 971 B7R1.3 c1cc(nnc1)Cl TS91704 [2,0,0,0,0,0|2,0,0]=4 972 B7R1.3 c1cc(nnc1)N TS02670 [2,0,0,0,0,0|1,0,0]=3 973 B7R1.3 c1cc(nnc1)N TS02671 [2,0,0,0,0,0|1,0,0]=3 974 B7R1.3 c1cc(nnc1)O TS91073 [2,0,0,0,0,0|1,0,1]=4 975 B7R1.3 c1cc[n+](cc1)N TS50044 [2,0,0,0,0,0|2,0,0]=4 976 B7R1.3 c1ccc(cc1)Br TS33230 [2,0,0,0,0,0|2,0,0]=4 977 B7R1.3 c1ccc(cc1)Cl TS39829 [2,0,0,0,0,0|2,0,0]=4 978 B7R1.3 c1ccc(cc1)F TS03718 [2,0,0,0,0,0|2,0,0]=4 979 B7R1.3 c1ccc(cc1)I TS01502 [2,0,0,0,0,0|2,0,0]=4 980 B7R1.3 c1ccc(cc1)I TS09193 [2,0,0,0,0,0|2,0,0]=4 981 B7R1.3 c1ccc(cc1)N TS05506 [2,0,0,0,0,0|1,0,0]=3 982 B7R1.3 c1ccc(cc1)N TS17238 [2,0,0,0,0,0|1,0,0]=3 983 B7R1.3 c1ccc(cc1)N TS31115 [2,0,0,0,0,0|1,0,0]=3 984 B7R1.3 c1ccc(cc1)N TS45718 [2,0,0,0,0,0|1,0,0]=3 985 B7R1.3 c1ccc(cc1)N TS50550 [2,0,0,0,0,0|1,0,0]=3 986 B7R1.3 c1ccc(cc1)N TS71877 [2,0,0,0,0,0|1,0,0]=3 987 B7R1.3 c1ccc(cc1)O TS03667 [2,0,0,0,0,0|1,0,1]=4 988 B7R1.3 c1ccc(cc1)P TS04186 [2,0,0,0,0,0|1,1,0]=4 989 B7R1.3 c1ccc(cc1)S TS04213 [2,0,0,0,0,0|1,1,0]=4 990 B7R1.3 c1ccc(cc1)[AsH2] TS10367 [2,0,0,0,0,0|1,1,0]=4 991 B7R1.3 c1ccc(cc1)[O-] TS31486 [2,0,0,0,0,0|1,0,1]=4 992 B7R1.3 c1ccc(cc1)[O-] TS45086 [2,0,0,0,0,0|1,0,1]=4 993 B7R1.3 c1ccc(cc1)[S-] TS13286 [2,0,0,0,0,0|1,1,0]=4 994 B7R1.3 c1ccc(cc1)[S-] TS36665 [2,0,0,0,0,0|1,1,0]=4 995 B7R1.3 c1ccc(cc1)[SiH3] TS04151 [2,0,0,0,0,0|1,1,0]=4 996 B7R1.3 c1ccc(cc1)[Zn+] TS23551 [2,0,0,0,0,0|2,0,0]=4 997 B7R1.3 c1ccn(=O)cc1 TS60161 [2,0,0,0,0,0|2,0,0]=4 998 B7R1.3 c1ccnc(c1)N TS03671 [2,0,0,0,0,0|2,0,0]=4 999 B7R1.3 c1ccoc(=O)c1 TS03711 [2,0,0,0,0,0|2,0,0]=4 1000 B7R1.3 c1cnc(cn1)Br TS00861 [2,0,0,0,0,0|2,0,0]=4 1001 B7R1.3 c1cnc(cn1)Cl TS00954 [2,0,0,0,0,0|2,0,0]=4 1002 B7R1.3 c1cnc(cn1)F TS01036 [2,0,0,0,0,0|2,0,0]=4 1003 B7R1.3 c1cnc(cn1)N TS00818 [2,0,0,0,0,0|1,0,0]=3 1004 B7R1.3 c1cnc(cn1)O TS55403 [2,0,0,0,0,0|1,0,1]=4 1005 B7R1.3 c1cnc(cn1)S TS04306 [2,0,0,0,0,0|1,1,0]=4 1006 B7R1.3 c1cnccc1N TS70921 [2,0,0,0,0,0|2,0,0]=4 1007 B7R1.3 c1cnnc(n1)N TS03716 [2,0,0,0,0,0|2,0,0]=4 1008 B7R1.3 c1cnncc1Br TS59608 [2,0,0,0,0,0|2,0,0]=4 1009 B7R1.3 c1cnncc1N TS70920 [2,0,0,0,0,0|1,0,0]=3 1010 B7R1.3 c1cnncc1N TS92859 [2,0,0,0,0,0|1,0,0]=3 1011 B7R1.3 c1cnncc1O TS03136 [2,0,0,0,0,0|1,0,1]=4 1012 B7R1.3 c1coccc1=O TS39928 [2,0,0,0,0,0|2,0,0]=4 1013 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [1,1,0,0,0,0|2,0,0]=4 1014 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [1,1,0,0,0,0|2,0,0]=4 1015 B9R1.1 C=Cc1ccc(cc1)F TS32505 [1,1,0,0,0,0|2,0,0]=4 1016 B9R1.1 C=Cc1ccc(cc1)N TS04791 [1,1,0,0,0,0|2,0,0]=4 1017 B9R1.1 C=Cc1ccc(cc1)O TS71308 [1,1,0,0,0,0|2,0,0]=4 1018 B9R1.1 CCc1ccc(nc1)C TS32477 [1,1,0,0,0,0|1,0,1]=4 1019 B9R1.1 CCc1ccc(nc1)O TS04959 [1,1,0,0,0,0|1,0,1]=4 1020 B9R1.1 CNc1ccc(nc1)Br TS49023 [1,1,0,0,0,0|2,0,0]=4 1021 B9R1.1 COc1ccc(nc1)Br TS08354 [1,1,0,0,0,0|2,0,0]=4 1022 B9R1.1 COc1ccc(nc1)Cl TS00910 [1,1,0,0,0,0|2,0,0]=4 1023 B9R1.1 COc1ccc(nc1)N TS47440 [1,1,0,0,0,0|2,0,0]=4 1024 B9R1.1 CSc1ccc(nc1)N TS37399 [1,1,0,0,0,0|2,0,0]=4 1025 B9R1.1 Cc1ccc(cc1)C=C TS71237 [1,1,0,0,0,0|2,0,0]=4 1026 B9R1.1 Cc1ccc(cc1)C=O TS09079 [1,1,0,0,0,0|1,0,0]=3 1027 B9R1.1 Cc1ccc(cc1)CN TS32473 [1,1,0,0,0,0|1,0,1]=4 1028 B9R1.1 Cc1ccc(cc1)NN TS01655 [1,1,0,0,0,0|2,0,0]=4 1029 B9R1.1 Cc1ccc(cc1)NN TS23082 [1,1,0,0,0,0|2,0,0]=4 1030 B9R1.1 Cc1ccc(cn1)C#N TS03281 [1,1,0,0,0,0|0,0,2]=4 1031 B9R1.1 Cc1ccc(cn1)C=C TS55464 [1,1,0,0,0,0|1,0,0]=3 1032 B9R1.1 Cc1ccc(cn1)C=O TS01266 [1,1,0,0,0,0|0,0,0]=2 1033 B9R1.1 Cc1ccc(cn1)CN TS88042 [1,1,0,0,0,0|0,0,1]=3 1034 B9R1.1 Cc1ccc(cn1)NN TS32994 [1,1,0,0,0,0|1,0,0]=3 1035 B9R1.1 Cc1ccc(cn1)NN TS94799 [1,1,0,0,0,0|1,0,0]=3 1036 B9R1.1 Cc1ccc(cn1)OC TS04979 [1,1,0,0,0,0|2,0,0]=4 1037 B9R1.1 Cc1ccc(nc1)C=O TS01160 [1,1,0,0,0,0|2,0,0]=4 1038 B9R1.1 Cc1ccc(nn1)CN TS87880 [1,1,0,0,0,0|1,0,1]=4 1039 B9R1.1 Cc1cnc(cn1)C=C TS04818 [1,1,0,0,0,0|2,0,0]=4 1040 B9R1.1 Cc1cnc(cn1)C=O TS88939 [1,1,0,0,0,0|1,0,0]=3 1041 B9R1.1 Cc1cnc(cn1)CN TS08244 [1,1,0,0,0,0|1,0,1]=4 1042 B9R1.1 Cc1ncc(cn1)C=O TS08763 [1,1,0,0,0,0|1,0,0]=3 1043 B9R1.1 Cc1ncc(cn1)CN TS86706 [1,1,0,0,0,0|1,0,1]=4 1044 B9R1.1 c1c(cnc(n1)Cl)C=O TS90869 [1,1,0,0,0,0|1,0,0]=3 1045 B9R1.1 c1c(cnc(n1)Cl)CN TS91652 [1,1,0,0,0,0|1,0,1]=4 1046 B9R1.1 c1c(cnc(n1)N)C=O TS47453 [1,1,0,0,0,0|1,0,0]=3 1047 B9R1.1 c1c(ncc(n1)Cl)C=O TS88126 [1,1,0,0,0,0|1,0,0]=3 1048 B9R1.1 c1c(ncc(n1)Cl)NN TS90176 [1,1,0,0,0,0|2,0,0]=4 1049 B9R1.1 c1cc(=O)[nH]cc1CN TS71378 [1,1,0,0,0,0|0,0,2]=4 1050 B9R1.1 c1cc(ccc1C=O)Br TS09589 [1,1,0,0,0,0|1,0,0]=3 1051 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [1,1,0,0,0,0|1,0,0]=3 1052 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [1,1,0,0,0,0|1,0,0]=3 1053 B9R1.1 c1cc(ccc1C=O)F TS03079 [1,1,0,0,0,0|1,0,0]=3 1054 B9R1.1 c1cc(ccc1C=O)I TS71194 [1,1,0,0,0,0|1,0,0]=3 1055 B9R1.1 c1cc(ccc1C=O)N TS08868 [1,1,0,0,0,0|1,0,0]=3 1056 B9R1.1 c1cc(ccc1C=O)O TS01630 [1,1,0,0,0,0|1,0,0]=3 1057 B9R1.1 c1cc(ccc1C=O)O TS42180 [1,1,0,0,0,0|1,0,0]=3 1058 B9R1.1 c1cc(ccc1CN)Br TS09597 [1,1,0,0,0,0|1,0,1]=4 1059 B9R1.1 c1cc(ccc1CN)Br TS60052 [1,1,0,0,0,0|1,0,1]=4 1060 B9R1.1 c1cc(ccc1CN)Cl TS33154 [1,1,0,0,0,0|1,0,1]=4 1061 B9R1.1 c1cc(ccc1CN)Cl TS71062 [1,1,0,0,0,0|1,0,1]=4 1062 B9R1.1 c1cc(ccc1CN)F TS03087 [1,1,0,0,0,0|1,0,1]=4 1063 B9R1.1 c1cc(ccc1CN)F TS42359 [1,1,0,0,0,0|1,0,1]=4 1064 B9R1.1 c1cc(ccc1CN)I TS07803 [1,1,0,0,0,0|1,0,1]=4 1065 B9R1.1 c1cc(ccc1CN)I TS73917 [1,1,0,0,0,0|1,0,1]=4 1066 B9R1.1 c1cc(ccc1CN)N TS32510 [1,1,0,0,0,0|1,0,1]=4 1067 B9R1.1 c1cc(ccc1CN)O TS38524 [1,1,0,0,0,0|1,0,1]=4 1068 B9R1.1 c1cc(ccc1CN)O TS71170 [1,1,0,0,0,0|1,0,1]=4 1069 B9R1.1 c1cc(ccc1N=O)O TS32551 [1,1,0,0,0,0|2,0,0]=4 1070 B9R1.1 c1cc(ccc1NN)Br TS50374 [1,1,0,0,0,0|2,0,0]=4 1071 B9R1.1 c1cc(ccc1NN)Cl TS06801 [1,1,0,0,0,0|2,0,0]=4 1072 B9R1.1 c1cc(ccc1NN)Cl TS67272 [1,1,0,0,0,0|2,0,0]=4 1073 B9R1.1 c1cc(ccc1NN)I TS53552 [1,1,0,0,0,0|2,0,0]=4 1074 B9R1.1 c1cc(ncc1Br)C=O TS71427 [1,1,0,0,0,0|2,0,0]=4 1075 B9R1.1 c1cc(ncc1C#N)Br TS55125 [1,1,0,0,0,0|0,0,2]=4 1076 B9R1.1 c1cc(ncc1C#N)Cl TS55237 [1,1,0,0,0,0|0,0,2]=4 1077 B9R1.1 c1cc(ncc1C#N)F TS04893 [1,1,0,0,0,0|0,0,2]=4 1078 B9R1.1 c1cc(ncc1C#N)O TS39788 [1,1,0,0,0,0|0,0,2]=4 1079 B9R1.1 c1cc(ncc1C=O)Br TS16478 [1,1,0,0,0,0|0,0,0]=2 1080 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [1,1,0,0,0,0|0,0,0]=2 1081 B9R1.1 c1cc(ncc1C=O)F TS01040 [1,1,0,0,0,0|0,0,0]=2 1082 B9R1.1 c1cc(ncc1C=O)N TS87752 [1,1,0,0,0,0|0,0,0]=2 1083 B9R1.1 c1cc(ncc1C=O)O TS55611 [1,1,0,0,0,0|0,0,0]=2 1084 B9R1.1 c1cc(ncc1CBr)Cl TS71318 [1,1,0,0,0,0|1,0,1]=4 1085 B9R1.1 c1cc(ncc1CBr)F TS90058 [1,1,0,0,0,0|1,0,1]=4 1086 B9R1.1 c1cc(ncc1CCl)Cl TS47256 [1,1,0,0,0,0|1,0,1]=4 1087 B9R1.1 c1cc(ncc1CCl)F TS86320 [1,1,0,0,0,0|1,0,1]=4 1088 B9R1.1 c1cc(ncc1CN)Cl TS71379 [1,1,0,0,0,0|0,0,1]=3 1089 B9R1.1 c1cc(ncc1CN)F TS87785 [1,1,0,0,0,0|0,0,1]=3 1090 B9R1.1 c1cc(ncc1CO)Br TS22929 [1,1,0,0,0,0|0,0,2]=4 1091 B9R1.1 c1cc(ncc1CO)Cl TS55248 [1,1,0,0,0,0|0,0,2]=4 1092 B9R1.1 c1cc(ncc1CO)F TS85126 [1,1,0,0,0,0|0,0,2]=4 1093 B9R1.1 c1cc(ncc1CO)N TS46564 [1,1,0,0,0,0|0,0,2]=4 1094 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [1,1,0,0,0,0|2,0,0]=4 1095 B9R1.1 c1cc(ncc1F)C=O TS60090 [1,1,0,0,0,0|2,0,0]=4 1096 B9R1.1 c1cc(ncc1O)C=O TS03343 [1,1,0,0,0,0|2,0,0]=4 1097 B9R1.1 c1cc(nnc1C=O)Cl TS86321 [1,1,0,0,0,0|1,0,0]=3 1098 B9R1.1 c1cc(nnc1NN)Cl TS02704 [1,1,0,0,0,0|2,0,0]=4 1099 B9R1.1 c1cc(nnc1NN)Cl TS77247 [1,1,0,0,0,0|2,0,0]=4 1100 B9R1.1 c1cn(=O)ccc1C=O TS32549 [1,1,0,0,0,0|2,0,0]=4 1101 B9R1.2 C#Cc1cc(cnc1)Cl TS37136 [1,1,0,0,0,0|1,0,1]=4 1102 B9R1.2 C=Cc1cc(cnc1)Br TS48517 [1,1,0,0,0,0|1,0,0]=3 1103 B9R1.2 C=Cc1cccc(c1)Br TS48377 [1,1,0,0,0,0|2,0,0]=4 1104 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [1,1,0,0,0,0|2,0,0]=4 1105 B9R1.2 C=Cc1cccc(c1)F TS32503 [1,1,0,0,0,0|2,0,0]=4 1106 B9R1.2 C=Cc1cccc(c1)N TS04792 [1,1,0,0,0,0|2,0,0]=4 1107 B9R1.2 CCc1cc(cnc1)Br TS91617 [1,1,0,0,0,0|1,0,1]=4 1108 B9R1.2 COc1cc(cnc1)Br TS65932 [1,1,0,0,0,0|2,0,0]=4 1109 B9R1.2 COc1cc(cnc1)Cl TS06905 [1,1,0,0,0,0|2,0,0]=4 1110 B9R1.2 COc1cc(cnc1)I TS25666 [1,1,0,0,0,0|2,0,0]=4 1111 B9R1.2 COc1cc(cnc1)N TS55470 [1,1,0,0,0,0|2,0,0]=4 1112 B9R1.2 COc1cc(cnc1)N TS89352 [1,1,0,0,0,0|2,0,0]=4 1113 B9R1.2 COc1cc(cnc1)O TS55469 [1,1,0,0,0,0|2,0,0]=4 1114 B9R1.2 Cc1cc(ccn1)C=O TS02448 [1,1,0,0,0,0|2,0,0]=4 1115 B9R1.2 Cc1cc(cnc1)C#N TS46458 [1,1,0,0,0,0|0,0,2]=4 1116 B9R1.2 Cc1cc(cnc1)C=O TS01158 [1,1,0,0,0,0|0,0,0]=2 1117 B9R1.2 Cc1cc(cnc1)CCl TS46377 [1,1,0,0,0,0|1,0,1]=4 1118 B9R1.2 Cc1cc(cnc1)CO TS04972 [1,1,0,0,0,0|0,0,2]=4 1119 B9R1.2 Cc1cc(cnc1)OC TS04960 [1,1,0,0,0,0|2,0,0]=4 1120 B9R1.2 Cc1cc(nnc1)CN TS92511 [1,1,0,0,0,0|1,0,1]=4 1121 B9R1.2 Cc1cccc(c1)C=C TS70680 [1,1,0,0,0,0|2,0,0]=4 1122 B9R1.2 Cc1cccc(c1)CN TS04866 [1,1,0,0,0,0|1,0,1]=4 1123 B9R1.2 Cc1cccc(c1)NN TS04918 [1,1,0,0,0,0|2,0,0]=4 1124 B9R1.2 Cc1cccc(c1)NN TS41997 [1,1,0,0,0,0|2,0,0]=4 1125 B9R1.2 Cc1cccc(n1)C=O TS85261 [1,1,0,0,0,0|2,0,0]=4 1126 B9R1.2 Cc1ccnc(c1)C=O TS03178 [1,1,0,0,0,0|2,0,0]=4 1127 B9R1.2 c1c(cncc1Br)C#N TS09810 [1,1,0,0,0,0|0,0,2]=4 1128 B9R1.2 c1c(cncc1Br)C=O TS16988 [1,1,0,0,0,0|0,0,0]=2 1129 B9R1.2 c1c(cncc1Br)CCl TS26941 [1,1,0,0,0,0|1,0,1]=4 1130 B9R1.2 c1c(cncc1Br)CN TS49021 [1,1,0,0,0,0|0,0,1]=3 1131 B9R1.2 c1c(cncc1Br)CO TS16995 [1,1,0,0,0,0|0,0,2]=4 1132 B9R1.2 c1c(cncc1Cl)C#N TS08751 [1,1,0,0,0,0|0,0,2]=4 1133 B9R1.2 c1c(cncc1Cl)C=O TS37528 [1,1,0,0,0,0|0,0,0]=2 1134 B9R1.2 c1c(cncc1Cl)CCl TS91325 [1,1,0,0,0,0|1,0,1]=4 1135 B9R1.2 c1c(cncc1Cl)CO TS08050 [1,1,0,0,0,0|0,0,2]=4 1136 B9R1.2 c1c(cncc1F)C#N TS65166 [1,1,0,0,0,0|0,0,2]=4 1137 B9R1.2 c1c(cncc1F)C=O TS03322 [1,1,0,0,0,0|0,0,0]=2 1138 B9R1.2 c1c(cncc1F)CCl TS91777 [1,1,0,0,0,0|1,0,1]=4 1139 B9R1.2 c1c(cncc1F)CN TS90364 [1,1,0,0,0,0|0,0,1]=3 1140 B9R1.2 c1c(cncc1F)CO TS86069 [1,1,0,0,0,0|0,0,2]=4 1141 B9R1.2 c1c(cncc1I)C=O TS25323 [1,1,0,0,0,0|0,0,0]=2 1142 B9R1.2 c1c(cncc1I)CCl TS58052 [1,1,0,0,0,0|1,0,1]=4 1143 B9R1.2 c1c(cncc1I)CO TS56598 [1,1,0,0,0,0|0,0,2]=4 1144 B9R1.2 c1c(cncc1N)C#N TS04777 [1,1,0,0,0,0|0,0,2]=4 1145 B9R1.2 c1c(cncc1N)CO TS32612 [1,1,0,0,0,0|0,0,2]=4 1146 B9R1.2 c1c(nc(cn1)Cl)C=O TS87072 [1,1,0,0,0,0|1,0,0]=3 1147 B9R1.2 c1c(nc(cn1)Cl)CN TS87934 [1,1,0,0,0,0|1,0,1]=4 1148 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [1,1,0,0,0,0|1,0,0]=3 1149 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [1,1,0,0,0,0|1,0,1]=4 1150 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [1,1,0,0,0,0|1,0,1]=4 1151 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [1,1,0,0,0,0|2,0,0]=4 1152 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [1,1,0,0,0,0|1,0,0]=3 1153 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [1,1,0,0,0,0|1,0,1]=4 1154 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [1,1,0,0,0,0|1,0,0]=3 1155 B9R1.2 c1cc(cc(c1)F)CN TS39435 [1,1,0,0,0,0|1,0,1]=4 1156 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [1,1,0,0,0,0|1,0,0]=3 1157 B9R1.2 c1cc(cc(c1)I)CN TS53419 [1,1,0,0,0,0|1,0,1]=4 1158 B9R1.2 c1cc(cc(c1)I)CN TS73918 [1,1,0,0,0,0|1,0,1]=4 1159 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [1,1,0,0,0,0|1,0,0]=3 1160 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [1,1,0,0,0,0|1,0,0]=3 1161 B9R1.2 c1cc(cc(c1)N)CN TS32516 [1,1,0,0,0,0|1,0,1]=4 1162 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [1,1,0,0,0,0|1,0,0]=3 1163 B9R1.2 c1cc(nc(c1)Br)C=O TS16476 [1,1,0,0,0,0|2,0,0]=4 1164 B9R1.2 c1cc(nc(c1)Cl)C=O TS55586 [1,1,0,0,0,0|2,0,0]=4 1165 B9R1.2 c1cc(nc(c1)F)C=O TS55360 [1,1,0,0,0,0|2,0,0]=4 1166 B9R1.2 c1cnc(cc1Br)C=O TS71011 [1,1,0,0,0,0|2,0,0]=4 1167 B9R1.2 c1cnc(cc1C=O)Br TS00862 [1,1,0,0,0,0|2,0,0]=4 1168 B9R1.2 c1cnc(cc1C=O)Cl TS55217 [1,1,0,0,0,0|2,0,0]=4 1169 B9R1.2 c1cnc(cc1C=O)F TS01027 [1,1,0,0,0,0|2,0,0]=4 1170 B9R1.2 c1cnc(cc1C=O)N TS32497 [1,1,0,0,0,0|2,0,0]=4 1171 B9R1.2 c1cnc(cc1C=O)O TS55404 [1,1,0,0,0,0|2,0,0]=4 1172 B9R1.2 c1cnc(cc1Cl)C=O TS09692 [1,1,0,0,0,0|2,0,0]=4 1173 B9R1.8 C=CCc1ccccc1 TS32347 [1,1,0,0,0,0|2,0,0]=4 1174 B9R1.8 C=CSc1ccccc1 TS06113 [1,1,0,0,0,0|2,0,0]=4 1175 B9R1.8 CC=Cc1ccccc1 TS32346 [1,1,0,0,0,0|2,0,0]=4 1176 B9R1.8 CNCc1ccccc1 TS01938 [1,1,0,0,0,0|1,0,1]=4 1177 B9R1.8 CNCc1cccnc1 TS02609 [1,1,0,0,0,0|0,0,1]=3 1178 B9R1.8 CNCc1cnccn1 TS01556 [1,1,0,0,0,0|1,0,1]=4 1179 B9R1.8 CNCc1cncnc1 TS91331 [1,1,0,0,0,0|1,0,1]=4 1180 B9R1.8 CNNc1ccccc1 TS85406 [1,1,0,0,0,0|2,0,0]=4 1181 B9R1.8 c1c(cncn1)CNN TS87915 [1,1,0,0,0,0|1,0,1]=4 1182 B9R1.8 c1cc(cnc1)C=NO TS32495 [1,1,0,0,0,0|0,0,1]=3 1183 B9R1.8 c1cc(cnc1)CC#N TS04724 [1,1,0,0,0,0|0,0,2]=4 1184 B9R1.8 c1cc(cnc1)CCN TS41995 [1,1,0,0,0,0|0,0,1]=3 1185 B9R1.8 c1cc(cnc1)CCN TS65667 [1,1,0,0,0,0|0,0,1]=3 1186 B9R1.8 c1cc(cnc1)CCO TS39614 [1,1,0,0,0,0|0,0,2]=4 1187 B9R1.8 c1cc(cnc1)CNN TS87066 [1,1,0,0,0,0|0,0,1]=3 1188 B9R1.8 c1cc(cnc1)N=C=O TS32413 [1,1,0,0,0,0|0,0,1]=3 1189 B9R1.8 c1cc(nnc1)CNN TS92328 [1,1,0,0,0,0|1,0,1]=4 1190 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,1,0,0,0,0|2,0,0]=4 1191 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,1,0,0,0,0|2,0,0]=4 1192 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,1,0,0,0,0|1,0,0]=3 1193 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,1,0,0,0,0|1,0,1]=4 1194 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,1,0,0,0,0|1,0,0]=3 1195 B9R1.8 c1ccc(cc1)CCN TS22602 [1,1,0,0,0,0|1,0,1]=4 1196 B9R1.8 c1ccc(cc1)CCN TS65627 [1,1,0,0,0,0|1,0,1]=4 1197 B9R1.8 c1ccc(cc1)CNN TS09177 [1,1,0,0,0,0|1,0,1]=4 1198 B9R1.8 c1ccc(cc1)CNN TS21284 [1,1,0,0,0,0|1,0,1]=4 1199 B9R1.8 c1ccc(cc1)CNO TS01934 [1,1,0,0,0,0|1,0,1]=4 1200 B9R1.8 c1ccc(cc1)CNO TS93618 [1,1,0,0,0,0|1,0,1]=4 1201 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,1,0,0,0,0|1,0,1]=4 1202 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,1,0,0,0,0|1,0,0]=3 1203 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,1,0,0,0,0|1,0,0]=3 1204 B9R1.8 c1ccnc(c1)NC=O TS32499 [1,1,0,0,0,0|2,0,0]=4 1205 B9R1.8 c1cnc(cn1)CCN TS32564 [1,1,0,0,0,0|1,0,1]=4 1206 B9R1.8 c1cnc(cn1)CNN TS88060 [1,1,0,0,0,0|1,0,1]=4 1207 B9R1.8 c1cnncc1CNN TS91906 [1,1,0,0,0,0|1,0,1]=4 1208 B9R1.15 C=Cc1ccccc1Br TS55173 [1,1,0,0,0,0|2,0,0]=4 1209 B9R1.15 C=Cc1ccccc1Cl TS00968 [1,1,0,0,0,0|2,0,0]=4 1210 B9R1.15 C=Cc1ccccc1F TS32504 [1,1,0,0,0,0|2,0,0]=4 1211 B9R1.15 C=Cc1ccccc1I TS24807 [1,1,0,0,0,0|2,0,0]=4 1212 B9R1.15 CCc1cccnc1C TS32475 [1,1,0,0,0,0|1,0,1]=4 1213 B9R1.15 CCc1cnccc1Br TS92322 [1,1,0,0,0,0|1,0,1]=4 1214 B9R1.15 CCc1cnccc1C TS32480 [1,1,0,0,0,0|1,0,1]=4 1215 B9R1.15 CNc1cccnc1Br TS49018 [1,1,0,0,0,0|2,0,0]=4 1216 B9R1.15 CNc1cccnc1Cl TS06799 [1,1,0,0,0,0|2,0,0]=4 1217 B9R1.15 CNc1cccnc1Cl TS46508 [1,1,0,0,0,0|2,0,0]=4 1218 B9R1.15 COc1cccnc1Br TS08305 [1,1,0,0,0,0|2,0,0]=4 1219 B9R1.15 COc1cccnc1Cl TS55198 [1,1,0,0,0,0|2,0,0]=4 1220 B9R1.15 COc1cccnc1I TS25665 [1,1,0,0,0,0|2,0,0]=4 1221 B9R1.15 COc1cccnc1N TS47373 [1,1,0,0,0,0|2,0,0]=4 1222 B9R1.15 COc1cccnc1O TS55383 [1,1,0,0,0,0|2,0,0]=4 1223 B9R1.15 Cc1c(cccn1)C#N TS60304 [1,1,0,0,0,0|0,0,2]=4 1224 B9R1.15 Cc1c(cccn1)C=O TS02436 [1,1,0,0,0,0|0,0,0]=2 1225 B9R1.15 Cc1c(cccn1)CBr TS87803 [1,1,0,0,0,0|1,0,1]=4 1226 B9R1.15 Cc1c(cccn1)CCl TS90028 [1,1,0,0,0,0|1,0,1]=4 1227 B9R1.15 Cc1c(cccn1)CN TS32520 [1,1,0,0,0,0|0,0,1]=3 1228 B9R1.15 Cc1c(cccn1)CO TS04969 [1,1,0,0,0,0|0,0,2]=4 1229 B9R1.15 Cc1c(cccn1)OC TS04964 [1,1,0,0,0,0|2,0,0]=4 1230 B9R1.15 Cc1c(nccn1)C=O TS86293 [1,1,0,0,0,0|1,0,0]=3 1231 B9R1.15 Cc1c(nccn1)CN TS92714 [1,1,0,0,0,0|1,0,1]=4 1232 B9R1.15 Cc1ccccc1C=C TS02453 [1,1,0,0,0,0|2,0,0]=4 1233 B9R1.15 Cc1ccccc1C=O TS04808 [1,1,0,0,0,0|1,0,0]=3 1234 B9R1.15 Cc1ccccc1CN TS04867 [1,1,0,0,0,0|1,0,1]=4 1235 B9R1.15 Cc1ccccc1NN TS60156 [1,1,0,0,0,0|2,0,0]=4 1236 B9R1.15 Cc1cccnc1C=O TS70677 [1,1,0,0,0,0|2,0,0]=4 1237 B9R1.15 Cc1ccncc1C#N TS66015 [1,1,0,0,0,0|0,0,2]=4 1238 B9R1.15 Cc1ccncc1C=O TS32454 [1,1,0,0,0,0|0,0,0]=2 1239 B9R1.15 Cc1ccncc1CCl TS88594 [1,1,0,0,0,0|1,0,1]=4 1240 B9R1.15 Cc1ccncc1CN TS04915 [1,1,0,0,0,0|0,0,1]=3 1241 B9R1.15 Cc1ccncc1CO TS04980 [1,1,0,0,0,0|0,0,2]=4 1242 B9R1.15 Cc1ccncc1NC TS04920 [1,1,0,0,0,0|2,0,0]=4 1243 B9R1.15 Cc1ccnnc1CN TS92264 [1,1,0,0,0,0|1,0,1]=4 1244 B9R1.15 Cc1cnccc1C=O TS02833 [1,1,0,0,0,0|2,0,0]=4 1245 B9R1.15 Cc1cnncc1CN TS92054 [1,1,0,0,0,0|1,0,1]=4 1246 B9R1.15 c1cc(c(nc1)Br)C#N TS08295 [1,1,0,0,0,0|0,0,2]=4 1247 B9R1.15 c1cc(c(nc1)Br)C=O TS08314 [1,1,0,0,0,0|0,0,0]=2 1248 B9R1.15 c1cc(c(nc1)Br)CBr TS55083 [1,1,0,0,0,0|1,0,1]=4 1249 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [1,1,0,0,0,0|2,0,0]=4 1250 B9R1.15 c1cc(c(nc1)C=O)F TS70563 [1,1,0,0,0,0|2,0,0]=4 1251 B9R1.15 c1cc(c(nc1)C=O)N TS32498 [1,1,0,0,0,0|2,0,0]=4 1252 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [1,1,0,0,0,0|2,0,0]=4 1253 B9R1.15 c1cc(c(nc1)Cl)C#N TS55285 [1,1,0,0,0,0|0,0,2]=4 1254 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [1,1,0,0,0,0|0,0,0]=2 1255 B9R1.15 c1cc(c(nc1)Cl)CCl TS86687 [1,1,0,0,0,0|1,0,1]=4 1256 B9R1.15 c1cc(c(nc1)Cl)CO TS55211 [1,1,0,0,0,0|0,0,2]=4 1257 B9R1.15 c1cc(c(nc1)F)C#N TS32483 [1,1,0,0,0,0|0,0,2]=4 1258 B9R1.15 c1cc(c(nc1)F)C=O TS55324 [1,1,0,0,0,0|0,0,0]=2 1259 B9R1.15 c1cc(c(nc1)F)CN TS08409 [1,1,0,0,0,0|0,0,1]=3 1260 B9R1.15 c1cc(c(nc1)F)CO TS55320 [1,1,0,0,0,0|0,0,2]=4 1261 B9R1.15 c1cc(c(nc1)N)C#N TS47359 [1,1,0,0,0,0|0,0,2]=4 1262 B9R1.15 c1cc(c(nc1)N)CCl TS08290 [1,1,0,0,0,0|1,0,1]=4 1263 B9R1.15 c1cc(c(nc1)N)CO TS47364 [1,1,0,0,0,0|0,0,2]=4 1264 B9R1.15 c1cc(c(nc1)O)C#N TS07723 [1,1,0,0,0,0|0,0,2]=4 1265 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [1,1,0,0,0,0|0,0,0]=2 1266 B9R1.15 c1cc(c(nc1)O)CN TS42244 [1,1,0,0,0,0|0,0,1]=3 1267 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [1,1,0,0,0,0|1,0,0]=3 1268 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [1,1,0,0,0,0|1,0,0]=3 1269 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [1,1,0,0,0,0|1,0,0]=3 1270 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [1,1,0,0,0,0|1,0,0]=3 1271 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [1,1,0,0,0,0|1,0,0]=3 1272 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [1,1,0,0,0,0|1,0,0]=3 1273 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [1,1,0,0,0,0|1,0,0]=3 1274 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [1,1,0,0,0,0|1,0,1]=4 1275 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [1,1,0,0,0,0|1,0,1]=4 1276 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [1,1,0,0,0,0|1,0,1]=4 1277 B9R1.15 c1ccc(c(c1)CN)F TS65429 [1,1,0,0,0,0|1,0,1]=4 1278 B9R1.15 c1ccc(c(c1)CN)I TS53416 [1,1,0,0,0,0|1,0,1]=4 1279 B9R1.15 c1ccc(c(c1)CN)N TS39642 [1,1,0,0,0,0|1,0,1]=4 1280 B9R1.15 c1ccc(c(c1)CN)O TS04954 [1,1,0,0,0,0|1,0,1]=4 1281 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [1,1,0,0,0,0|2,0,0]=4 1282 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [1,1,0,0,0,0|2,0,0]=4 1283 B9R1.15 c1ccc(c(c1)NN)F TS01033 [1,1,0,0,0,0|2,0,0]=4 1284 B9R1.15 c1ccc(c(c1)NN)F TS01034 [1,1,0,0,0,0|2,0,0]=4 1285 B9R1.15 c1cnc(c(n1)C=O)Cl TS66006 [1,1,0,0,0,0|1,0,0]=3 1286 B9R1.15 c1cnc(c(n1)C=O)N TS85705 [1,1,0,0,0,0|1,0,0]=3 1287 B9R1.15 c1cnc(c(n1)CN)Cl TS49175 [1,1,0,0,0,0|1,0,1]=4 1288 B9R1.15 c1cnc(c(n1)CN)Cl TS86197 [1,1,0,0,0,0|1,0,1]=4 1289 B9R1.15 c1cnc(c(n1)NN)Cl TS87006 [1,1,0,0,0,0|2,0,0]=4 1290 B9R1.15 c1cncc(c1Br)C#N TS09573 [1,1,0,0,0,0|0,0,2]=4 1291 B9R1.15 c1cncc(c1Br)C=O TS09580 [1,1,0,0,0,0|0,0,0]=2 1292 B9R1.15 c1cncc(c1C=O)Br TS48819 [1,1,0,0,0,0|2,0,0]=4 1293 B9R1.15 c1cncc(c1C=O)Cl TS02716 [1,1,0,0,0,0|2,0,0]=4 1294 B9R1.15 c1cncc(c1C=O)F TS36047 [1,1,0,0,0,0|2,0,0]=4 1295 B9R1.15 c1cncc(c1C=O)N TS32500 [1,1,0,0,0,0|2,0,0]=4 1296 B9R1.15 c1cncc(c1C=O)O TS02800 [1,1,0,0,0,0|2,0,0]=4 1297 B9R1.15 c1cncc(c1Cl)C#N TS71034 [1,1,0,0,0,0|0,0,2]=4 1298 B9R1.15 c1cncc(c1Cl)C=O TS09675 [1,1,0,0,0,0|0,0,0]=2 1299 B9R1.15 c1cncc(c1Cl)CO TS08032 [1,1,0,0,0,0|0,0,2]=4 1300 B9R1.15 c1cncc(c1F)C=O TS33163 [1,1,0,0,0,0|0,0,0]=2 1301 B9R1.15 c1cncc(c1I)C#N TS52929 [1,1,0,0,0,0|0,0,2]=4 1302 B9R1.15 c1cncc(c1N)C#N TS04779 [1,1,0,0,0,0|0,0,2]=4 1303 B9R1.15 c1cncc(c1N)C=O TS70883 [1,1,0,0,0,0|0,0,0]=2 1304 B9R1.15 c1cncc(c1N)CN TS09431 [1,1,0,0,0,0|0,0,1]=3 1305 B9R1.15 c1cncc(c1N)CO TS32608 [1,1,0,0,0,0|0,0,2]=4 1306 B9R1.11 CCC(=O)c1ccco1 TS07974 [0,1,0,0,1,0|2,0,0]=4 1307 B9R1.11 CCC(=O)c1cccs1 TS37392 [0,1,0,0,1,0|2,0,0]=4 1308 B9R1.11 CCC(=O)c1nccs1 TS37503 [0,1,0,0,1,0|2,0,0]=4 1309 B9R1.11 CCC(=O)n1ccnc1 TS32614 [0,1,0,0,1,0|2,0,0]=4 1310 B9R1.11 COC(=O)c1[nH]ccn1 TS87683 [0,1,0,0,1,0|2,0,0]=4 1311 B9R1.11 COC(=O)c1c[nH]cn1 TS01547 [0,1,0,0,1,0|2,0,0]=4 1312 B9R1.11 COC(=O)c1c[nH]nc1 TS36104 [0,1,0,0,1,0|2,0,0]=4 1313 B9R1.11 COC(=O)c1cc[nH]n1 TS01548 [0,1,0,0,1,0|2,0,0]=4 1314 B9R1.11 COC(=O)c1ccc[nH]1 TS01549 [0,1,0,0,1,0|1,0,1]=4 1315 B9R1.11 COC(=O)c1ccco1 TS56258 [0,1,0,0,1,0|2,0,0]=4 1316 B9R1.11 COC(=O)c1cccs1 TS37577 [0,1,0,0,1,0|2,0,0]=4 1317 B9R1.11 COC(=O)c1cccs1 TS37579 [0,1,0,0,1,0|2,0,0]=4 1318 B9R1.11 COC(=O)c1ccns1 TS56200 [0,1,0,0,1,0|2,0,0]=4 1319 B9R1.11 COC(=O)c1ccoc1 TS00187 [0,1,0,0,1,0|2,0,0]=4 1320 B9R1.11 COC(=O)c1ccsc1 TS37576 [0,1,0,0,1,0|2,0,0]=4 1321 B9R1.11 COC(=O)c1cncs1 TS01561 [0,1,0,0,1,0|2,0,0]=4 1322 B9R1.11 COC(=O)c1cnoc1 TS05236 [0,1,0,0,1,0|2,0,0]=4 1323 B9R1.11 COC(=O)c1cscn1 TS01560 [0,1,0,0,1,0|2,0,0]=4 1324 B9R1.11 COC(=O)n1cccc1 TS05085 [0,1,0,0,1,0|2,0,0]=4 1325 B9R1.11 c1[nH]nc(n1)C(=O)NN TS05254 [0,1,0,0,1,0|2,0,0]=4 1326 B9R1.11 c1c(con1)C(=O)NN TS05240 [0,1,0,0,1,0|1,0,0]=3 1327 B9R1.11 c1c(nco1)C(=O)NN TS05252 [0,1,0,0,1,0|1,0,0]=3 1328 B9R1.11 c1c(ncs1)C(=O)NN TS40077 [0,1,0,0,1,0|1,0,0]=3 1329 B9R1.11 c1c(nn[nH]1)C(=O)NN TS05255 [0,1,0,0,1,0|2,0,0]=4 1330 B9R1.11 c1c(nns1)C(=O)NN TS40165 [0,1,0,0,1,0|2,0,0]=4 1331 B9R1.11 c1c(ocn1)C(=O)NN TS05248 [0,1,0,0,1,0|1,0,0]=3 1332 B9R1.11 c1c(scn1)C(=O)NN TS40073 [0,1,0,0,1,0|1,0,0]=3 1333 B9R1.11 c1cc([nH]c1)C(=O)CCl TS40119 [0,1,0,0,1,0|1,0,1]=4 1334 B9R1.11 c1cc(oc1)C(=N)NO TS36105 [0,1,0,0,1,0|2,0,0]=4 1335 B9R1.11 c1cc(oc1)C(=O)NN TS36103 [0,1,0,0,1,0|1,0,0]=3 1336 B9R1.11 c1cc(sc1)C(=NO)N TS37586 [0,1,0,0,1,0|1,0,1]=4 1337 B9R1.11 c1cc(sc1)C(=O)CBr TS47079 [0,1,0,0,1,0|2,0,0]=4 1338 B9R1.11 c1cc(sc1)C(=O)CCl TS42252 [0,1,0,0,1,0|2,0,0]=4 1339 B9R1.11 c1cc(sc1)C(=O)NN TS37584 [0,1,0,0,1,0|1,0,0]=3 1340 B9R1.11 c1cn[nH]c1C(=O)NN TS86178 [0,1,0,0,1,0|1,0,0]=3 1341 B9R1.11 c1coc(n1)C(=O)NN TS05247 [0,1,0,0,1,0|1,0,0]=3 1342 B9R1.11 c1csc(n1)C(=O)CBr TS00230 [0,1,0,0,1,0|2,0,0]=4 1343 B9R1.11 c1csc(n1)C(=O)NN TS40074 [0,1,0,0,1,0|1,0,0]=3 1344 B9R1.11 c1cscc1C(=O)CBr TS09435 [0,1,0,0,1,0|2,0,0]=4 1345 B9R1.11 c1cscc1C(=O)NN TS37589 [0,1,0,0,1,0|1,0,0]=3 1346 B9R1.19 c1c(nc[nH]1)S(=O)(=O)N TS07314 [0,1,0,0,1,0|2,0,0]=4 1347 B9R1.19 c1cc(sc1)S(=O)(=O)N TS65654 [0,1,0,0,1,0|2,0,0]=4 1348 B9R1.35 CC(=O)c1cc(c[nH]1)I TS25669 [0,1,0,0,1,0|1,0,1]=4 1349 B9R1.35 CC(=O)c1cc(cs1)Br TS38755 [0,1,0,0,1,0|2,0,0]=4 1350 B9R1.35 CC(=O)c1cc(cs1)Cl TS42250 [0,1,0,0,1,0|2,0,0]=4 1351 B9R1.35 CC(=O)c1cc(sc1)Cl TS42251 [0,1,0,0,1,0|2,0,0]=4 1352 B9R1.35 CC(=O)c1ccc(o1)Br TS16113 [0,1,0,0,1,0|2,0,0]=4 1353 B9R1.35 CC(=O)c1ccc(s1)Br TS38753 [0,1,0,0,1,0|2,0,0]=4 1354 B9R1.35 CC(=O)c1ccc(s1)Cl TS42247 [0,1,0,0,1,0|2,0,0]=4 1355 B9R1.35 CC(=O)c1ccc(s1)I TS63069 [0,1,0,0,1,0|2,0,0]=4 1356 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [0,1,0,0,1,0|1,0,1]=4 1357 B9R1.35 CC(=O)c1cnn(c1)C TS46696 [0,1,0,0,1,0|2,0,0]=4 1358 B9R1.35 CC(=O)c1csc(n1)N TS37585 [0,1,0,0,1,0|2,0,0]=4 1359 B9R1.35 CC(=O)c1ncc(s1)Br TS87763 [0,1,0,0,1,0|2,0,0]=4 1360 B9R1.35 CC(=O)c1ncc(s1)Cl TS91945 [0,1,0,0,1,0|2,0,0]=4 1361 B9R1.35 Cc1[nH]cc(n1)C(=O)C TS05016 [0,1,0,0,1,0|2,0,0]=4 1362 B9R1.35 Cc1[nH]cc(n1)C(=S)N TS37506 [0,1,0,0,1,0|1,1,0]=4 1363 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [0,1,0,0,1,0|1,0,1]=4 1364 B9R1.35 Cc1cc([nH]n1)C(=O)O TS05140 [0,1,0,0,1,0|2,0,0]=4 1365 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [0,1,0,0,1,0|2,0,0]=4 1366 B9R1.35 Cc1cc(n[nH]1)C(=O)O TS39782 [0,1,0,0,1,0|2,0,0]=4 1367 B9R1.35 Cc1cc(no1)C(=O)Cl TS07136 [0,1,0,0,1,0|2,0,0]=4 1368 B9R1.35 Cc1cc(no1)C(=O)O TS08888 [0,1,0,0,1,0|2,0,0]=4 1369 B9R1.35 Cc1cc(no1)C(=S)N TS37587 [0,1,0,0,1,0|1,1,0]=4 1370 B9R1.35 Cc1cc(on1)C(=O)C TS05075 [0,1,0,0,1,0|2,0,0]=4 1371 B9R1.35 Cc1cc(on1)C(=O)O TS70668 [0,1,0,0,1,0|2,0,0]=4 1372 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [0,1,0,0,1,0|2,0,0]=4 1373 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [0,1,0,0,1,0|2,0,0]=4 1374 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [0,1,0,0,1,0|2,0,0]=4 1375 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [0,1,0,0,1,0|1,0,1]=4 1376 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [0,1,0,0,1,0|2,0,0]=4 1377 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [0,1,0,0,1,0|2,0,0]=4 1378 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [0,1,0,0,1,0|2,0,0]=4 1379 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [0,1,0,0,1,0|2,0,0]=4 1380 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [0,1,0,0,1,0|2,0,0]=4 1381 B9R1.35 Cc1ccn(n1)C(=O)N TS70674 [0,1,0,0,1,0|1,0,0]=3 1382 B9R1.35 Cc1cnc(s1)C(=O)O TS55483 [0,1,0,0,1,0|2,0,0]=4 1383 B9R1.35 Cc1csc(n1)C(=O)O TS71242 [0,1,0,0,1,0|2,0,0]=4 1384 B9R1.35 Cc1nc(co1)C(=O)O TS05235 [0,1,0,0,1,0|2,0,0]=4 1385 B9R1.35 Cc1nc(cs1)C(=N)N TS14117 [0,1,0,0,1,0|2,0,0]=4 1386 B9R1.35 Cc1nc(cs1)C(=O)N TS02166 [0,1,0,0,1,0|1,0,0]=3 1387 B9R1.35 Cc1nc(cs1)C(=O)O TS46423 [0,1,0,0,1,0|2,0,0]=4 1388 B9R1.35 Cc1ncc(s1)C(=O)O TS55463 [0,1,0,0,1,0|2,0,0]=4 1389 B9R1.35 Cc1ncc(s1)C(=O)O TS60684 [0,1,0,0,1,0|2,0,0]=4 1390 B9R1.35 Cn1cc(cn1)C(=O)O TS00049 [0,1,0,0,1,0|2,0,0]=4 1391 B9R1.35 Cn1cc(nc1)C(=O)N TS77120 [0,1,0,0,1,0|1,0,0]=3 1392 B9R1.35 Cn1cc(nc1)C(=O)O TS00491 [0,1,0,0,1,0|2,0,0]=4 1393 B9R1.35 Cn1ccc(n1)C(=O)Cl TS40272 [0,1,0,0,1,0|2,0,0]=4 1394 B9R1.35 Cn1ccc(n1)C(=O)O TS17342 [0,1,0,0,1,0|2,0,0]=4 1395 B9R1.35 Cn1ccc(n1)C(=O)O TS90252 [0,1,0,0,1,0|2,0,0]=4 1396 B9R1.35 c1(n[nH]c(=S)s1)C(=O)N TS11428 [0,1,0,0,1,0|2,0,0]=4 1397 B9R1.35 c1c(c[nH]c1C(=O)O)Br TS70941 [0,1,0,0,1,0|1,0,1]=4 1398 B9R1.35 c1c(csc1Br)C(=O)O TS88084 [0,1,0,0,1,0|2,0,0]=4 1399 B9R1.35 c1c(csc1C(=O)Cl)Br TS24055 [0,1,0,0,1,0|2,0,0]=4 1400 B9R1.35 c1c(csc1C(=O)O)Br TS56357 [0,1,0,0,1,0|2,0,0]=4 1401 B9R1.35 c1c(csc1C(=O)O)Cl TS42530 [0,1,0,0,1,0|2,0,0]=4 1402 B9R1.35 c1c(csc1C(=O)O)F TS09710 [0,1,0,0,1,0|2,0,0]=4 1403 B9R1.35 c1c(csc1C(=O)O)N TS14480 [0,1,0,0,1,0|2,0,0]=4 1404 B9R1.35 c1c(csc1Cl)C(=O)O TS71528 [0,1,0,0,1,0|2,0,0]=4 1405 B9R1.35 c1c(csc1F)C(=O)O TS87661 [0,1,0,0,1,0|2,0,0]=4 1406 B9R1.35 c1c(n[nH]c1N)C(=O)O TS05251 [0,1,0,0,1,0|2,0,0]=4 1407 B9R1.35 c1c(nc([nH]1)C(=O)O)N TS05239 [0,1,0,0,1,0|2,0,0]=4 1408 B9R1.35 c1c(nc(o1)Br)C(=O)O TS86742 [0,1,0,0,1,0|2,0,0]=4 1409 B9R1.35 c1c(nc(o1)Cl)C(=O)O TS07386 [0,1,0,0,1,0|2,0,0]=4 1410 B9R1.35 c1c(nc(s1)Br)C(=O)O TS55110 [0,1,0,0,1,0|2,0,0]=4 1411 B9R1.35 c1c(nc(s1)C(=O)O)Br TS91199 [0,1,0,0,1,0|2,0,0]=4 1412 B9R1.35 c1c(nc(s1)N)C(=O)N TS40075 [0,1,0,0,1,0|1,0,0]=3 1413 B9R1.35 c1c(nc(s1)N)C(=O)O TS08270 [0,1,0,0,1,0|2,0,0]=4 1414 B9R1.35 c1c(nc(s1)N)C(=O)O TS55048 [0,1,0,0,1,0|2,0,0]=4 1415 B9R1.35 c1c(sc(n1)Br)C(=O)O TS55178 [0,1,0,0,1,0|2,0,0]=4 1416 B9R1.35 c1c(sc(n1)C(=O)O)Br TS90897 [0,1,0,0,1,0|2,0,0]=4 1417 B9R1.35 c1c(sc(n1)C(=O)O)Cl TS89631 [0,1,0,0,1,0|2,0,0]=4 1418 B9R1.35 c1c(sc(n1)C(=O)O)N TS91372 [0,1,0,0,1,0|2,0,0]=4 1419 B9R1.35 c1c(sc(n1)C(=O)O)N TS92537 [0,1,0,0,1,0|2,0,0]=4 1420 B9R1.35 c1c(sc(n1)N)C(=O)O TS55050 [0,1,0,0,1,0|2,0,0]=4 1421 B9R1.35 c1cc([nH]c1C(=O)N)Br TS91618 [0,1,0,0,1,0|0,0,1]=3 1422 B9R1.35 c1cc(oc1C(=O)Cl)Br TS20789 [0,1,0,0,1,0|2,0,0]=4 1423 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [0,1,0,0,1,0|2,0,0]=4 1424 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [0,1,0,0,1,0|2,0,0]=4 1425 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [0,1,0,0,1,0|2,0,0]=4 1426 B9R1.35 c1cc(sc1C(=O)Cl)Cl TS48026 [0,1,0,0,1,0|2,0,0]=4 1427 B9R1.35 c1cc(sc1C(=O)N)Cl TS42360 [0,1,0,0,1,0|1,0,0]=3 1428 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [0,1,0,0,1,0|2,0,0]=4 1429 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [0,1,0,0,1,0|2,0,0]=4 1430 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [0,1,0,0,1,0|2,0,0]=4 1431 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [0,1,0,0,1,0|2,0,0]=4 1432 B9R1.41 CC(=O)c1c(ccs1)Br TS38751 [0,1,0,0,1,0|2,0,0]=4 1433 B9R1.41 CC(=O)c1c(ccs1)Cl TS42249 [0,1,0,0,1,0|2,0,0]=4 1434 B9R1.41 CC(=O)c1c(ccs1)N TS47344 [0,1,0,0,1,0|2,0,0]=4 1435 B9R1.41 CC(=O)c1cccn1C TS04953 [0,1,0,0,1,0|1,0,1]=4 1436 B9R1.41 CC(=O)c1nccn1C TS86142 [0,1,0,0,1,0|2,0,0]=4 1437 B9R1.41 Cc1c(c[nH]n1)C(=O)O TS05143 [0,1,0,0,1,0|2,0,0]=4 1438 B9R1.41 Cc1c(cco1)C(=O)Cl TS40263 [0,1,0,0,1,0|2,0,0]=4 1439 B9R1.41 Cc1c(cco1)C(=O)O TS05139 [0,1,0,0,1,0|2,0,0]=4 1440 B9R1.41 Cc1c(ccs1)C(=O)N TS37500 [0,1,0,0,1,0|1,0,0]=3 1441 B9R1.41 Cc1c(cno1)C(=O)C TS05072 [0,1,0,0,1,0|2,0,0]=4 1442 B9R1.41 Cc1c(cno1)C(=O)Cl TS08886 [0,1,0,0,1,0|2,0,0]=4 1443 B9R1.41 Cc1c(cno1)C(=O)O TS39785 [0,1,0,0,1,0|2,0,0]=4 1444 B9R1.41 Cc1c(con1)C(=O)O TS02851 [0,1,0,0,1,0|2,0,0]=4 1445 B9R1.41 Cc1c(nco1)C(=O)O TS55474 [0,1,0,0,1,0|2,0,0]=4 1446 B9R1.41 Cc1c(ncs1)C(=O)O TS55484 [0,1,0,0,1,0|2,0,0]=4 1447 B9R1.41 Cc1c(ocn1)C(=O)C TS46731 [0,1,0,0,1,0|2,0,0]=4 1448 B9R1.41 Cc1c(ocn1)C(=O)Cl TS07135 [0,1,0,0,1,0|2,0,0]=4 1449 B9R1.41 Cc1c(ocn1)C(=O)N TS05146 [0,1,0,0,1,0|1,0,0]=3 1450 B9R1.41 Cc1c(ocn1)C(=O)O TS03173 [0,1,0,0,1,0|2,0,0]=4 1451 B9R1.41 Cc1c(scn1)C(=O)C TS37499 [0,1,0,0,1,0|2,0,0]=4 1452 B9R1.41 Cc1c(scn1)C(=O)O TS71243 [0,1,0,0,1,0|2,0,0]=4 1453 B9R1.41 Cc1c[nH]cc1C(=O)C TS01987 [0,1,0,0,1,0|1,0,1]=4 1454 B9R1.41 Cc1ccoc1C(=O)Cl TS40264 [0,1,0,0,1,0|2,0,0]=4 1455 B9R1.41 Cc1ccoc1C(=O)O TS70657 [0,1,0,0,1,0|2,0,0]=4 1456 B9R1.41 Cc1ccsc1C(=O)C TS37389 [0,1,0,0,1,0|2,0,0]=4 1457 B9R1.41 Cc1ccsc1C(=O)Cl TS42248 [0,1,0,0,1,0|2,0,0]=4 1458 B9R1.41 Cc1ccsc1C(=O)N TS37501 [0,1,0,0,1,0|1,0,0]=3 1459 B9R1.41 Cc1ccsc1C(=O)O TS70685 [0,1,0,0,1,0|2,0,0]=4 1460 B9R1.41 Cc1cnoc1C(=O)O TS03172 [0,1,0,0,1,0|2,0,0]=4 1461 B9R1.41 Cc1conc1C(=O)O TS05238 [0,1,0,0,1,0|2,0,0]=4 1462 B9R1.41 Cn1c(ccn1)C(=O)O TS16656 [0,1,0,0,1,0|2,0,0]=4 1463 B9R1.41 Cn1cccc1C(=O)O TS46984 [0,1,0,0,1,0|1,0,1]=4 1464 B9R1.41 Cn1ccnc1C(=N)N TS91639 [0,1,0,0,1,0|2,0,0]=4 1465 B9R1.41 Cn1ccnc1C(=O)O TS00468 [0,1,0,0,1,0|2,0,0]=4 1466 B9R1.41 Cn1ccnc1C(=S)N TS37507 [0,1,0,0,1,0|1,1,0]=4 1467 B9R1.41 Cn1cncc1C(=O)Cl TS14718 [0,1,0,0,1,0|2,0,0]=4 1468 B9R1.41 Cn1cncc1C(=O)Cl TS40270 [0,1,0,0,1,0|2,0,0]=4 1469 B9R1.41 Cn1cncc1C(=O)O TS00470 [0,1,0,0,1,0|2,0,0]=4 1470 B9R1.41 c1(c([nH]nn1)S)C(=O)N TS40166 [0,1,0,0,1,0|2,0,0]=4 1471 B9R1.41 c1(c(non1)N)C(=O)N TS05310 [0,1,0,0,1,0|2,0,0]=4 1472 B9R1.41 c1(c(snn1)Cl)C(=O)N TS42652 [0,1,0,0,1,0|2,0,0]=4 1473 B9R1.41 c1[nH]c(c(n1)C(=O)N)N TS32961 [0,1,0,0,1,0|1,0,0]=3 1474 B9R1.41 c1c(c(cs1)Br)C(=O)O TS09619 [0,1,0,0,1,0|2,0,0]=4 1475 B9R1.41 c1c(c(n[nH]1)C(=O)O)Br TS17204 [0,1,0,0,1,0|2,0,0]=4 1476 B9R1.41 c1c(c(n[nH]1)C(=S)N)Br TS20093 [0,1,0,0,1,0|1,1,0]=4 1477 B9R1.41 c1c(c(n[nH]1)N)C(=O)N TS79016 [0,1,0,0,1,0|1,0,0]=3 1478 B9R1.41 c1c(c(n[nH]1)N)C(=O)N TS86252 [0,1,0,0,1,0|1,0,0]=3 1479 B9R1.41 c1c(c(n[nH]1)N)C(=O)O TS46439 [0,1,0,0,1,0|2,0,0]=4 1480 B9R1.41 c1c(c(ns1)Cl)C(=O)O TS42651 [0,1,0,0,1,0|2,0,0]=4 1481 B9R1.41 c1cc(n(c1)N)C(=O)N TS89649 [0,1,0,0,1,0|0,0,1]=3 1482 B9R1.41 c1coc(c1Br)C(=O)O TS51224 [0,1,0,0,1,0|2,0,0]=4 1483 B9R1.41 c1coc(c1C(=O)O)Br TS17203 [0,1,0,0,1,0|2,0,0]=4 1484 B9R1.41 c1csc(c1Br)C(=O)Cl TS24054 [0,1,0,0,1,0|2,0,0]=4 1485 B9R1.41 c1csc(c1Br)C(=O)N TS20092 [0,1,0,0,1,0|1,0,0]=3 1486 B9R1.41 c1csc(c1Br)C(=O)O TS09502 [0,1,0,0,1,0|2,0,0]=4 1487 B9R1.41 c1csc(c1Br)C(=S)N TS50065 [0,1,0,0,1,0|1,1,0]=4 1488 B9R1.41 c1csc(c1C(=O)N)N TS40037 [0,1,0,0,1,0|1,0,0]=3 1489 B9R1.41 c1csc(c1C(=O)O)Br TS08315 [0,1,0,0,1,0|2,0,0]=4 1490 B9R1.41 c1csc(c1C(=O)O)Cl TS00972 [0,1,0,0,1,0|2,0,0]=4 1491 B9R1.41 c1csc(c1C(=O)O)F TS07162 [0,1,0,0,1,0|2,0,0]=4 1492 B9R1.41 c1csc(c1C(=O)O)N TS55051 [0,1,0,0,1,0|2,0,0]=4 1493 B9R1.41 c1csc(c1Cl)C(=O)Cl TS48025 [0,1,0,0,1,0|2,0,0]=4 1494 B9R1.41 c1csc(c1Cl)C(=O)N TS42361 [0,1,0,0,1,0|1,0,0]=3 1495 B9R1.41 c1csc(c1Cl)C(=O)O TS42529 [0,1,0,0,1,0|2,0,0]=4 1496 B9R1.41 c1csc(c1F)C(=O)O TS70577 [0,1,0,0,1,0|2,0,0]=4 1497 B9R1.41 c1csc(c1I)C(=O)O TS28552 [0,1,0,0,1,0|2,0,0]=4 1498 B9R1.41 c1csc(c1N)C(=O)N TS37588 [0,1,0,0,1,0|1,0,0]=3 1499 B9R1.41 c1csc(c1N)C(=O)O TS14481 [0,1,0,0,1,0|2,0,0]=4 1500 B9R1.41 c1csc(c1N)C(=O)O TS40071 [0,1,0,0,1,0|2,0,0]=4 1501 B9R1.41 c1csc(c1O)C(=O)O TS40161 [0,1,0,0,1,0|2,0,0]=4 1502 B9R1.41 c1nc(c(s1)Br)C(=O)O TS71468 [0,1,0,0,1,0|2,0,0]=4 1503 B9R1.41 c1nc(c(s1)C(=O)O)Cl TS71047 [0,1,0,0,1,0|2,0,0]=4 1504 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,1,0,0,0,1|2,0,0]=4 1505 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,1,0,0,0,1|2,0,0]=4 1506 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,1,0,0,0,1|2,0,0]=4 1507 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,1,0,0,0,1|2,0,0]=4 1508 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 TS40733 [0,1,0,0,0,1|2,0,0]=4 1509 B11R1.20 CC(=O)Nc1ccc(cc1)Br TS44451 [0,1,0,0,0,1|2,0,0]=4 1510 B11R1.20 CC(=O)Nc1ccc(cc1)Cl TS12726 [0,1,0,0,0,1|2,0,0]=4 1511 B11R1.20 CC(=O)Nc1ccc(cc1)F TS41260 [0,1,0,0,0,1|2,0,0]=4 1512 B11R1.20 CC(=O)Nc1ccc(cc1)I TS29619 [0,1,0,0,0,1|2,0,0]=4 1513 B11R1.20 CC(=O)Nc1ccc(cc1)N TS40870 [0,1,0,0,0,1|2,0,0]=4 1514 B11R1.20 CC(=O)Nc1ccc(cc1)O TS40999 [0,1,0,0,0,1|2,0,0]=4 1515 B11R1.20 CC(=O)Nc1ccc(cc1)S TS12415 [0,1,0,0,0,1|2,0,0]=4 1516 B11R1.20 CC(=O)Nc1ccc(nc1)Br TS44648 [0,1,0,0,0,1|1,0,0]=3 1517 B11R1.20 CC(=O)Oc1ccc(cc1)Br TS44631 [0,1,0,0,0,1|2,0,0]=4 1518 B11R1.20 CC(=O)Oc1ccc(cc1)Cl TS09682 [0,1,0,0,0,1|2,0,0]=4 1519 B11R1.20 CC(=O)Oc1ccc(cc1)F TS41350 [0,1,0,0,0,1|2,0,0]=4 1520 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,1,0,0,0,1|2,0,0]=4 1521 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [0,1,0,0,0,1|2,0,0]=4 1522 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,1,0,0,0,1|2,0,0]=4 1523 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [0,1,0,0,0,1|1,1,0]=4 1524 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [0,1,0,0,0,1|2,0,0]=4 1525 B11R1.20 Cc1ccc(cc1)NC(=O)C TS40755 [0,1,0,0,0,1|2,0,0]=4 1526 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [0,1,0,0,0,1|1,0,0]=3 1527 B11R1.20 Cc1ccc(cc1)NC(=S)N TS12280 [0,1,0,0,0,1|1,1,0]=4 1528 B11R1.20 Cc1ccc(cc1)OC(=O)C TS09868 [0,1,0,0,0,1|2,0,0]=4 1529 B11R1.20 Cc1ccc(cc1)OC(=O)Cl TS12926 [0,1,0,0,0,1|2,0,0]=4 1530 B11R1.20 c1cc(ccc1CC(=N)N)Br TS21455 [0,1,0,0,0,1|2,0,0]=4 1531 B11R1.20 c1cc(ccc1CC(=N)N)Cl TS00227 [0,1,0,0,0,1|2,0,0]=4 1532 B11R1.20 c1cc(ccc1CC(=O)Cl)Br TS08909 [0,1,0,0,0,1|2,0,0]=4 1533 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl TS71060 [0,1,0,0,0,1|2,0,0]=4 1534 B11R1.20 c1cc(ccc1CC(=O)Cl)F TS03099 [0,1,0,0,0,1|2,0,0]=4 1535 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [0,1,0,0,0,1|1,0,0]=3 1536 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [0,1,0,0,0,1|2,0,0]=4 1537 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [0,1,0,0,0,1|2,0,0]=4 1538 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [0,1,0,0,0,1|2,0,0]=4 1539 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [0,1,0,0,0,1|2,0,0]=4 1540 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [0,1,0,0,0,1|2,0,0]=4 1541 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [0,1,0,0,0,1|2,0,0]=4 1542 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [0,1,0,0,0,1|2,0,0]=4 1543 B11R1.20 c1cc(ccc1CC(=S)N)Cl TS15543 [0,1,0,0,0,1|1,1,0]=4 1544 B11R1.20 c1cc(ccc1N)NC(=O)N TS41019 [0,1,0,0,0,1|1,0,0]=3 1545 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS12732 [0,1,0,0,0,1|2,0,0]=4 1546 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS20099 [0,1,0,0,0,1|2,0,0]=4 1547 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS69287 [0,1,0,0,0,1|2,0,0]=4 1548 B11R1.20 c1cc(ccc1NC(=N)N)F TS41264 [0,1,0,0,0,1|2,0,0]=4 1549 B11R1.20 c1cc(ccc1NC(=O)N)Br TS44647 [0,1,0,0,0,1|1,0,0]=3 1550 B11R1.20 c1cc(ccc1NC(=O)N)Cl TS45242 [0,1,0,0,0,1|1,0,0]=3 1551 B11R1.20 c1cc(ccc1NC(=O)N)F TS10397 [0,1,0,0,0,1|1,0,0]=3 1552 B11R1.20 c1cc(ccc1NC(=S)N)Br TS25029 [0,1,0,0,0,1|1,1,0]=4 1553 B11R1.20 c1cc(ccc1NC(=S)N)Cl TS15738 [0,1,0,0,0,1|1,1,0]=4 1554 B11R1.20 c1cc(ccc1NC(=S)N)F TS12816 [0,1,0,0,0,1|1,1,0]=4 1555 B11R1.20 c1cc(ccc1NC(=S)N)O TS44895 [0,1,0,0,0,1|1,1,0]=4 1556 B11R1.20 c1cc(ccc1OC(=O)Cl)Br TS25785 [0,1,0,0,0,1|2,0,0]=4 1557 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl TS65131 [0,1,0,0,0,1|2,0,0]=4 1558 B11R1.20 c1cc(ccc1OC(=O)Cl)F TS45861 [0,1,0,0,0,1|2,0,0]=4 1559 B11R1.20 c1cc(ncc1CC(=O)O)Cl TS13065 [0,1,0,0,0,1|1,0,0]=3 1560 B11R1.36 C=C(c1ccccc1)C(=O)O TS59983 [0,1,0,0,0,1|2,0,0]=4 1561 B11R1.36 CC(=O)C(=O)c1ccccc1 TS00506 [0,1,0,0,0,1|2,0,0]=4 1562 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [0,1,0,0,0,1|2,0,0]=4 1563 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [0,1,0,0,0,1|2,0,0]=4 1564 B11R1.36 CC(c1ccccc1)C(=O)O TS65642 [0,1,0,0,0,1|2,0,0]=4 1565 B11R1.36 CN(c1ccccc1)C(=O)Cl TS12717 [0,1,0,0,0,1|2,0,0]=4 1566 B11R1.36 CN(c1ccccc1)C(=S)N TS12282 [0,1,0,0,0,1|1,1,0]=4 1567 B11R1.36 C[C@@H](c1ccccc1)C(=O)O TS22970 [0,1,0,0,0,1|2,0,0]=4 1568 B11R1.36 C[C@H](c1ccccc1)C(=O)O TS22963 [0,1,0,0,0,1|2,0,0]=4 1569 B11R1.36 c1cc(cnc1)C(C(=O)O)N TS10156 [0,1,0,0,0,1|1,0,0]=3 1570 B11R1.36 c1ccc(cc1)C(=O)C(=O)O TS07652 [0,1,0,0,0,1|2,0,0]=4 1571 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl TS50847 [0,1,0,0,0,1|2,0,0]=4 1572 B11R1.36 c1ccc(cc1)C(C(=O)N)N TS32776 [0,1,0,0,0,1|1,0,0]=3 1573 B11R1.36 c1ccc(cc1)C(C(=O)N)O TS10014 [0,1,0,0,0,1|1,0,0]=3 1574 B11R1.36 c1ccc(cc1)C(C(=O)O)Br TS40041 [0,1,0,0,0,1|2,0,0]=4 1575 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl TS12921 [0,1,0,0,0,1|2,0,0]=4 1576 B11R1.36 c1ccc(cc1)C(C(=O)O)F TS41345 [0,1,0,0,0,1|2,0,0]=4 1577 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10137 [0,1,0,0,0,1|2,0,0]=4 1578 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10144 [0,1,0,0,0,1|2,0,0]=4 1579 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS35517 [0,1,0,0,0,1|2,0,0]=4 1580 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)Br TS44638 [0,1,0,0,0,1|2,0,0]=4 1581 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N TS01533 [0,1,0,0,0,1|2,0,0]=4 1582 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O TS46637 [0,1,0,0,0,1|2,0,0]=4 1583 B11R1.36 c1ccc(cc1)[C@H](C(=O)Cl)N TS20096 [0,1,0,0,0,1|2,0,0]=4 1584 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)N TS01409 [0,1,0,0,0,1|1,0,0]=3 1585 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N TS33222 [0,1,0,0,0,1|2,0,0]=4 1586 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O TS93945 [0,1,0,0,0,1|2,0,0]=4 1587 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [0,1,0,0,0,1|2,0,0]=4 1588 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [0,1,0,0,0,1|2,0,0]=4 1589 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [0,1,0,0,0,1|2,0,0]=4 1590 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [0,1,0,0,0,1|2,0,0]=4 1591 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [0,1,0,0,0,1|1,0,0]=3 1592 B11R1.40 CNC(=S)Nc1ccccc1 TS12286 [0,1,0,0,0,1|1,1,0]=4 1593 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [0,1,0,0,0,1|2,0,0]=4 1594 B11R1.40 COC(=O)Cc1cccnc1 TS90627 [0,1,0,0,0,1|1,0,0]=3 1595 B11R1.40 COC(=O)Cc1cccnn1 TS85573 [0,1,0,0,0,1|2,0,0]=4 1596 B11R1.40 COC(=O)Cc1ccnnc1 TS90137 [0,1,0,0,0,1|2,0,0]=4 1597 B11R1.40 COC(=O)Cc1cnccn1 TS88028 [0,1,0,0,0,1|2,0,0]=4 1598 B11R1.40 COC(=O)Nc1ccccc1 TS41003 [0,1,0,0,0,1|2,0,0]=4 1599 B11R1.40 c1cc(cnc1)CC(=O)NN TS10044 [0,1,0,0,0,1|0,0,0]=2 1600 B11R1.40 c1cc(cnc1)NC(=S)NN TS44896 [0,1,0,0,0,1|0,1,0]=3 1601 B11R1.40 c1cc[n+](cc1)CC(=O)NN TS50625 [0,1,0,0,0,1|2,0,0]=4 1602 B11R1.40 c1ccc(cc1)C=C(C=O)Br TS21062 [0,1,0,0,0,1|2,0,0]=4 1603 B11R1.40 c1ccc(cc1)C=C(C=O)Cl TS12312 [0,1,0,0,0,1|2,0,0]=4 1604 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [0,1,0,0,0,1|2,0,0]=4 1605 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [0,1,0,0,0,1|1,0,0]=3 1606 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [0,1,0,0,0,1|1,0,0]=3 1607 B11R1.40 c1ccc(cc1)NC(=O)CCl TS12724 [0,1,0,0,0,1|2,0,0]=4 1608 B11R1.40 c1ccc(cc1)NC(=O)CS TS12417 [0,1,0,0,0,1|2,0,0]=4 1609 B11R1.40 c1ccc(cc1)NC(=O)NN TS41023 [0,1,0,0,0,1|1,0,0]=3 1610 B11R1.40 c1ccc(cc1)NC(=O)NN TS50626 [0,1,0,0,0,1|1,0,0]=3 1611 B11R1.40 c1ccc(cc1)NC(=S)NN TS12418 [0,1,0,0,0,1|1,1,0]=4 1612 B11R1.40 c1ccc(cc1)OC(=O)CBr TS44644 [0,1,0,0,0,1|2,0,0]=4 1613 B11R1.40 c1ccc(cc1)OC(=O)CCl TS12932 [0,1,0,0,0,1|2,0,0]=4 1614 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [0,1,0,0,0,1|2,0,0]=4 1615 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [0,1,0,0,0,1|2,0,0]=4 1616 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [0,1,0,0,0,1|2,0,0]=4 1617 B11R1.86 CC(=O)Nc1ccccc1Br TS44445 [0,1,0,0,0,1|2,0,0]=4 1618 B11R1.86 CC(=O)Nc1ccccc1Cl TS12723 [0,1,0,0,0,1|2,0,0]=4 1619 B11R1.86 CC(=O)Nc1ccccc1F TS10312 [0,1,0,0,0,1|2,0,0]=4 1620 B11R1.86 CC(=O)Nc1ccccc1I TS29620 [0,1,0,0,0,1|2,0,0]=4 1621 B11R1.86 CC(=O)Nc1ccccc1N TS09894 [0,1,0,0,0,1|2,0,0]=4 1622 B11R1.86 CC(=O)Nc1ccccc1O TS10026 [0,1,0,0,0,1|2,0,0]=4 1623 B11R1.86 CC(=O)Oc1ccc[nH]c1=O TS41242 [0,1,0,0,0,1|1,0,1]=4 1624 B11R1.86 CC(=O)Oc1ccccc1Cl TS12917 [0,1,0,0,0,1|2,0,0]=4 1625 B11R1.86 CC(=O)Oc1ccccc1F TS41353 [0,1,0,0,0,1|2,0,0]=4 1626 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [0,1,0,0,0,1|2,0,0]=4 1627 B11R1.86 Cc1ccccc1CC(=O)Cl TS12613 [0,1,0,0,0,1|2,0,0]=4 1628 B11R1.86 Cc1ccccc1CC(=O)O TS40859 [0,1,0,0,0,1|2,0,0]=4 1629 B11R1.86 Cc1ccccc1NC(=N)N TS07578 [0,1,0,0,0,1|2,0,0]=4 1630 B11R1.86 Cc1ccccc1NC(=N)N TS15535 [0,1,0,0,0,1|2,0,0]=4 1631 B11R1.86 Cc1ccccc1NC(=O)C TS40760 [0,1,0,0,0,1|2,0,0]=4 1632 B11R1.86 Cc1ccccc1NC(=O)N TS40867 [0,1,0,0,0,1|1,0,0]=3 1633 B11R1.86 Cc1ccccc1NC(=S)N TS12284 [0,1,0,0,0,1|1,1,0]=4 1634 B11R1.86 Cc1ccncc1NC(=O)C TS09896 [0,1,0,0,0,1|1,0,0]=3 1635 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O TS85678 [0,1,0,0,0,1|1,0,0]=3 1636 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F TS08220 [0,1,0,0,0,1|2,0,0]=4 1637 B11R1.86 c1ccc(c(c1)CC(=O)N)Br TS44449 [0,1,0,0,0,1|1,0,0]=3 1638 B11R1.86 c1ccc(c(c1)CC(=O)O)Br TS00856 [0,1,0,0,0,1|2,0,0]=4 1639 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl TS59962 [0,1,0,0,0,1|2,0,0]=4 1640 B11R1.86 c1ccc(c(c1)CC(=O)O)F TS93807 [0,1,0,0,0,1|2,0,0]=4 1641 B11R1.86 c1ccc(c(c1)CC(=O)O)I TS01083 [0,1,0,0,0,1|2,0,0]=4 1642 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS10032 [0,1,0,0,0,1|2,0,0]=4 1643 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS59939 [0,1,0,0,0,1|2,0,0]=4 1644 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [0,1,0,0,0,1|2,0,0]=4 1645 B11R1.86 c1ccc(c(c1)CC(=O)O)S TS44883 [0,1,0,0,0,1|2,0,0]=4 1646 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl TS15541 [0,1,0,0,0,1|1,1,0]=4 1647 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS12730 [0,1,0,0,0,1|2,0,0]=4 1648 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS20098 [0,1,0,0,0,1|2,0,0]=4 1649 B11R1.86 c1ccc(c(c1)NC(=N)N)F TS41263 [0,1,0,0,0,1|2,0,0]=4 1650 B11R1.86 c1ccc(c(c1)NC(=O)N)F TS41355 [0,1,0,0,0,1|1,0,0]=3 1651 B11R1.86 c1ccc(c(c1)NC(=S)N)Br TS53128 [0,1,0,0,0,1|1,1,0]=4 1652 B11R1.86 c1ccc(c(c1)NC(=S)N)Cl TS15736 [0,1,0,0,0,1|1,1,0]=4 1653 B11R1.86 c1ccc(c(c1)NC(=S)N)F TS12815 [0,1,0,0,0,1|1,1,0]=4 1654 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl TS92109 [0,1,0,0,0,1|2,0,0]=4 1655 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [0,1,0,0,0,1|2,0,0]=4 1656 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [0,1,0,0,0,1|2,0,0]=4 1657 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [0,1,0,0,0,1|2,0,0]=4 1658 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [0,1,0,0,0,1|2,0,0]=4 1659 B11R1.157 CC(=O)Nc1cccc(c1)Br TS44446 [0,1,0,0,0,1|2,0,0]=4 1660 B11R1.157 CC(=O)Nc1cccc(c1)Cl TS12719 [0,1,0,0,0,1|2,0,0]=4 1661 B11R1.157 CC(=O)Nc1cccc(c1)F TS10311 [0,1,0,0,0,1|2,0,0]=4 1662 B11R1.157 CC(=O)Nc1cccc(c1)N TS09891 [0,1,0,0,0,1|2,0,0]=4 1663 B11R1.157 CC(=O)Nc1cccc(c1)N TS15731 [0,1,0,0,0,1|2,0,0]=4 1664 B11R1.157 CC(=O)Oc1cccc(c1)F TS41348 [0,1,0,0,0,1|2,0,0]=4 1665 B11R1.157 CC(=O)Oc1cccc(c1)O TS10124 [0,1,0,0,0,1|2,0,0]=4 1666 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [0,1,0,0,0,1|2,0,0]=4 1667 B11R1.157 Cc1cccc(c1)CC(=O)Cl TS44949 [0,1,0,0,0,1|2,0,0]=4 1668 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [0,1,0,0,0,1|2,0,0]=4 1669 B11R1.157 Cc1cccc(c1)NC(=O)C TS40761 [0,1,0,0,0,1|2,0,0]=4 1670 B11R1.157 Cc1cccc(c1)NC(=O)N TS09889 [0,1,0,0,0,1|1,0,0]=3 1671 B11R1.157 Cc1cccc(c1)NC(=S)N TS12287 [0,1,0,0,0,1|1,1,0]=4 1672 B11R1.157 Cc1cccc(c1)OC(=O)C TS40850 [0,1,0,0,0,1|2,0,0]=4 1673 B11R1.157 Cc1cccc(c1)OC(=O)Cl TS12924 [0,1,0,0,0,1|2,0,0]=4 1674 B11R1.157 c1c(cncc1Br)CC(=O)O TS16996 [0,1,0,0,0,1|1,0,0]=3 1675 B11R1.157 c1c(cncc1F)CC(=O)O TS88577 [0,1,0,0,0,1|1,0,0]=3 1676 B11R1.157 c1cc(cc(c1)Br)CC(=O)O TS65959 [0,1,0,0,0,1|2,0,0]=4 1677 B11R1.157 c1cc(cc(c1)Br)NC(=S)N TS25027 [0,1,0,0,0,1|1,1,0]=4 1678 B11R1.157 c1cc(cc(c1)Cl)CC(=O)Cl TS50846 [0,1,0,0,0,1|2,0,0]=4 1679 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O TS02722 [0,1,0,0,0,1|2,0,0]=4 1680 B11R1.157 c1cc(cc(c1)Cl)NC(=O)N TS45238 [0,1,0,0,0,1|1,0,0]=3 1681 B11R1.157 c1cc(cc(c1)Cl)NC(=S)N TS15737 [0,1,0,0,0,1|1,1,0]=4 1682 B11R1.157 c1cc(cc(c1)F)CC(=O)Cl TS13264 [0,1,0,0,0,1|2,0,0]=4 1683 B11R1.157 c1cc(cc(c1)F)CC(=O)O TS01567 [0,1,0,0,0,1|2,0,0]=4 1684 B11R1.157 c1cc(cc(c1)F)NC(=S)N TS12813 [0,1,0,0,0,1|1,1,0]=4 1685 B11R1.157 c1cc(cc(c1)I)CC(=O)O TS70632 [0,1,0,0,0,1|2,0,0]=4 1686 B11R1.157 c1cc(cc(c1)N)CC(=O)O TS65876 [0,1,0,0,0,1|2,0,0]=4 1687 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS10043 [0,1,0,0,0,1|1,0,0]=3 1688 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS50627 [0,1,0,0,0,1|1,0,0]=3 1689 B11R1.157 c1cc(cc(c1)O)CC(=O)O TS02792 [0,1,0,0,0,1|2,0,0]=4 1690 B11R1.157 c1cc(cc(c1)O)NC(=S)N TS44894 [0,1,0,0,0,1|1,1,0]=4 1691 B11R1.509 c1cc(cnc1)CS(=O)(=O)Cl TS51372 [0,1,0,0,0,1|2,0,0]=4 1692 B11R1.509 c1ccc(cc1)CS(=O)(=O)N TS59634 [0,1,0,0,0,1|2,0,0]=4 1693 B11R1.509 c1ccc(cc1)OP(=O)(N)N TS45411 [0,1,0,0,0,1|2,0,0]=4 1694 B11R1.3 C#Cc1ccc(cc1)C(=O)O TS71111 [0,2,0,0,0,0|2,0,0]=4 1695 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [0,2,0,0,0,0|2,0,0]=4 1696 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [0,2,0,0,0,0|2,0,0]=4 1697 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [0,2,0,0,0,0|2,0,0]=4 1698 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [0,2,0,0,0,0|2,0,0]=4 1699 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [0,2,0,0,0,0|2,0,0]=4 1700 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [0,2,0,0,0,0|2,0,0]=4 1701 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [0,2,0,0,0,0|2,0,0]=4 1702 B11R1.3 CC(=O)c1ccc(nc1)C#N TS03208 [0,2,0,0,0,0|1,0,0]=3 1703 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [0,2,0,0,0,0|1,0,0]=3 1704 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [0,2,0,0,0,0|2,0,0]=4 1705 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [0,2,0,0,0,0|2,0,0]=4 1706 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [0,2,0,0,0,0|1,0,0]=3 1707 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [0,2,0,0,0,0|2,0,0]=4 1708 B11R1.3 CCc1ccc(cc1)C(=S)N TS12083 [0,2,0,0,0,0|1,1,0]=4 1709 B11R1.3 CCc1ccc(cn1)[N+](=O)[O-] TS88020 [0,2,0,0,0,0|2,0,0]=4 1710 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [0,2,0,0,0,0|2,0,0]=4 1711 B11R1.3 CNc1ccc(cn1)[N+](=O)[O-] TS10301 [0,2,0,0,0,0|2,0,0]=4 1712 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [0,2,0,0,0,0|2,0,0]=4 1713 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [0,2,0,0,0,0|2,0,0]=4 1714 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [0,2,0,0,0,0|1,0,0]=3 1715 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [0,2,0,0,0,0|2,0,0]=4 1716 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [0,2,0,0,0,0|2,0,0]=4 1717 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [0,2,0,0,0,0|1,1,0]=4 1718 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [0,2,0,0,0,0|1,0,0]=3 1719 B11R1.3 COc1ccc(cn1)C(=S)N TS44893 [0,2,0,0,0,0|0,1,0]=3 1720 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] TS01097 [0,2,0,0,0,0|2,0,0]=4 1721 B11R1.3 COc1ncc(cn1)C(=O)O TS41335 [0,2,0,0,0,0|2,0,0]=4 1722 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [0,2,0,0,0,0|2,0,0]=4 1723 B11R1.3 CSc1ncc(cn1)C(=O)O TS87353 [0,2,0,0,0,0|2,0,0]=4 1724 B11R1.3 c1c(cnc(n1)C#N)C(=O)O TS88990 [0,2,0,0,0,0|2,0,0]=4 1725 B11R1.3 c1cc(ccc1C#N)C(=O)Cl TS42964 [0,2,0,0,0,0|2,0,0]=4 1726 B11R1.3 c1cc(ccc1C#N)C(=O)N TS40391 [0,2,0,0,0,0|1,0,0]=3 1727 B11R1.3 c1cc(ccc1C#N)C(=O)O TS03058 [0,2,0,0,0,0|2,0,0]=4 1728 B11R1.3 c1cc(ccc1C(=O)O)NN TS41114 [0,2,0,0,0,0|2,0,0]=4 1729 B11R1.3 c1cc(ccc1C(=O)O)NN TS50823 [0,2,0,0,0,0|2,0,0]=4 1730 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl TS79372 [0,2,0,0,0,0|2,0,0]=4 1731 B11R1.3 c1cc(ccc1C(=O)[O-])[Hg]O TS79553 [0,2,0,0,0,0|2,0,0]=4 1732 B11R1.3 c1cc(ccc1C=O)C(=N)N TS15395 [0,2,0,0,0,0|2,0,0]=4 1733 B11R1.3 c1cc(ccc1C=O)C(=O)O TS33166 [0,2,0,0,0,0|2,0,0]=4 1734 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [0,2,0,0,0,0|2,0,0]=4 1735 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [0,2,0,0,0,0|2,0,0]=4 1736 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [0,2,0,0,0,0|2,0,0]=4 1737 B11R1.3 c1cc(ccc1CN)C(=N)N TS50061 [0,2,0,0,0,0|2,0,0]=4 1738 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [0,2,0,0,0,0|1,0,0]=3 1739 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [0,2,0,0,0,0|2,0,0]=4 1740 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [0,2,0,0,0,0|2,0,0]=4 1741 B11R1.3 c1cc(ncc1C(=O)N)C#N TS07301 [0,2,0,0,0,0|0,0,0]=2 1742 B11R1.3 c1cc(ncc1C(=O)O)C#N TS32671 [0,2,0,0,0,0|1,0,0]=3 1743 B11R1.3 c1cc(ncc1C(=O)O)NN TS02276 [0,2,0,0,0,0|1,0,0]=3 1744 B11R1.3 c1cc(ncc1[N+](=O)[O-])C#N TS01167 [0,2,0,0,0,0|2,0,0]=4 1745 B11R1.3 c1cc(ncc1[N+](=O)[O-])C=O TS41079 [0,2,0,0,0,0|2,0,0]=4 1746 B11R1.3 c1cc(ncc1[N+](=O)[O-])CO TS10392 [0,2,0,0,0,0|2,0,0]=4 1747 B11R1.19 CS(=O)(=O)c1ccc(nc1)Br TS55112 [0,2,0,0,0,0|2,0,0]=4 1748 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N TS64347 [0,2,0,0,0,0|2,0,0]=4 1749 B11R1.19 Cc1ccc(cn1)S(=O)(=O)O TS01273 [0,2,0,0,0,0|2,0,0]=4 1750 B11R1.19 c1c(cnc(n1)N)S(=O)(=O)N TS13473 [0,2,0,0,0,0|2,0,0]=4 1751 B11R1.19 c1cc(ccc1F)S(=O)(=O)N TS03083 [0,2,0,0,0,0|2,0,0]=4 1752 B11R1.19 c1cc(ccc1N)S(=O)(=O)N TS77872 [0,2,0,0,0,0|2,0,0]=4 1753 B11R1.19 c1cc(ccc1O)S(=O)(=O)N TS45617 [0,2,0,0,0,0|2,0,0]=4 1754 B11R1.19 c1cc(ccc1S(=O)(=O)N)Br TS56748 [0,2,0,0,0,0|2,0,0]=4 1755 B11R1.19 c1cc(ccc1S(=O)(=O)N)Cl TS33151 [0,2,0,0,0,0|2,0,0]=4 1756 B11R1.19 c1cc(ccc1S(=O)(=O)N)I TS34502 [0,2,0,0,0,0|2,0,0]=4 1757 B11R1.19 c1cc(ncc1S(=O)(=O)Cl)Cl TS00957 [0,2,0,0,0,0|2,0,0]=4 1758 B11R1.19 c1cc(ncc1S(=O)(=O)N)Cl TS51563 [0,2,0,0,0,0|1,0,0]=3 1759 B11R1.19 c1cc(ncc1S(=O)(=O)O)Cl TS55588 [0,2,0,0,0,0|2,0,0]=4 1760 B11R1.19 c1cc(ncc1S(=O)(=O)O)N TS13472 [0,2,0,0,0,0|2,0,0]=4 1761 B11R1.19 c1cc(ncc1S(=O)(=O)O)O TS13639 [0,2,0,0,0,0|2,0,0]=4 1762 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [0,2,0,0,0,0|2,0,0]=4 1763 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [0,2,0,0,0,0|2,0,0]=4 1764 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [0,2,0,0,0,0|2,0,0]=4 1765 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [0,2,0,0,0,0|2,0,0]=4 1766 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [0,2,0,0,0,0|2,0,0]=4 1767 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [0,2,0,0,0,0|2,0,0]=4 1768 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [0,2,0,0,0,0|2,0,0]=4 1769 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [0,2,0,0,0,0|2,0,0]=4 1770 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [0,2,0,0,0,0|2,0,0]=4 1771 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [0,2,0,0,0,0|2,0,0]=4 1772 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [0,2,0,0,0,0|2,0,0]=4 1773 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [0,2,0,0,0,0|2,0,0]=4 1774 B11R1.21 Cc1c(cc(cn1)C(=O)O)N TS90571 [0,2,0,0,0,0|1,0,0]=3 1775 B11R1.21 Cc1c(cc(cn1)[N+](=O)[O-])Br TS39300 [0,2,0,0,0,0|2,0,0]=4 1776 B11R1.21 Cc1c(cc(cn1)[N+](=O)[O-])N TS88880 [0,2,0,0,0,0|2,0,0]=4 1777 B11R1.21 Cc1c(cc(cn1)[N+](=O)[O-])O TS88302 [0,2,0,0,0,0|2,0,0]=4 1778 B11R1.21 Cc1cc(ccc1Br)C(=O)N TS44447 [0,2,0,0,0,0|1,0,0]=3 1779 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [0,2,0,0,0,0|2,0,0]=4 1780 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [0,2,0,0,0,0|2,0,0]=4 1781 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [0,2,0,0,0,0|2,0,0]=4 1782 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [0,2,0,0,0,0|2,0,0]=4 1783 B11R1.21 Cc1cc(ccc1F)C(=O)Cl TS45554 [0,2,0,0,0,0|2,0,0]=4 1784 B11R1.21 Cc1cc(ccc1F)C(=O)N TS10310 [0,2,0,0,0,0|1,0,0]=3 1785 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [0,2,0,0,0,0|2,0,0]=4 1786 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [0,2,0,0,0,0|2,0,0]=4 1787 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [0,2,0,0,0,0|2,0,0]=4 1788 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [0,2,0,0,0,0|2,0,0]=4 1789 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [0,2,0,0,0,0|2,0,0]=4 1790 B11R1.21 Cc1cc(cnc1Br)[N+](=O)[O-] TS08306 [0,2,0,0,0,0|2,0,0]=4 1791 B11R1.21 Cc1cc(cnc1Cl)[N+](=O)[O-] TS55199 [0,2,0,0,0,0|2,0,0]=4 1792 B11R1.21 Cc1cc(cnc1F)[N+](=O)[O-] TS10651 [0,2,0,0,0,0|2,0,0]=4 1793 B11R1.21 Cc1cc(cnc1N)[N+](=O)[O-] TS47446 [0,2,0,0,0,0|2,0,0]=4 1794 B11R1.21 Cc1cc(cnc1O)[N+](=O)[O-] TS55385 [0,2,0,0,0,0|2,0,0]=4 1795 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [0,2,0,0,0,0|2,0,0]=4 1796 B11R1.21 Cc1ccc(cc1Br)C(=O)Cl TS53519 [0,2,0,0,0,0|2,0,0]=4 1797 B11R1.21 Cc1ccc(cc1Br)C(=O)O TS09456 [0,2,0,0,0,0|2,0,0]=4 1798 B11R1.21 Cc1ccc(cc1C)C(=N)N TS15398 [0,2,0,0,0,0|2,0,0]=4 1799 B11R1.21 Cc1ccc(cc1C)C(=N)N TS40675 [0,2,0,0,0,0|2,0,0]=4 1800 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [0,2,0,0,0,0|2,0,0]=4 1801 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [0,2,0,0,0,0|2,0,0]=4 1802 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [0,2,0,0,0,0|1,0,0]=3 1803 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [0,2,0,0,0,0|2,0,0]=4 1804 B11R1.21 Cc1ccc(cc1C)C(=S)N TS12085 [0,2,0,0,0,0|1,1,0]=4 1805 B11R1.21 Cc1ccc(cc1Cl)C(=O)N TS12720 [0,2,0,0,0,0|1,0,0]=3 1806 B11R1.21 Cc1ccc(cc1Cl)C(=O)O TS65499 [0,2,0,0,0,0|2,0,0]=4 1807 B11R1.21 Cc1ccc(cc1F)C(=N)N TS50835 [0,2,0,0,0,0|2,0,0]=4 1808 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [0,2,0,0,0,0|2,0,0]=4 1809 B11R1.21 Cc1ccc(cc1F)C(=O)Cl TS13268 [0,2,0,0,0,0|2,0,0]=4 1810 B11R1.21 Cc1ccc(cc1F)C(=O)O TS02756 [0,2,0,0,0,0|2,0,0]=4 1811 B11R1.21 Cc1ccc(cc1F)C(=S)N TS45015 [0,2,0,0,0,0|1,1,0]=4 1812 B11R1.21 Cc1ccc(cc1I)C(=O)O TS29738 [0,2,0,0,0,0|2,0,0]=4 1813 B11R1.21 Cc1ccc(cc1N)C(=O)N TS40875 [0,2,0,0,0,0|1,0,0]=3 1814 B11R1.21 Cc1ccc(cc1N)C(=O)O TS65862 [0,2,0,0,0,0|2,0,0]=4 1815 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [0,2,0,0,0,0|2,0,0]=4 1816 B11R1.21 Cc1ccc(cc1O)C(=O)O TS70609 [0,2,0,0,0,0|2,0,0]=4 1817 B11R1.21 Cn1cc(ccc1=O)C(=O)O TS60217 [0,2,0,0,0,0|1,0,1]=4 1818 B11R1.21 c1c(cnc(c1Br)Br)C(=O)O TS85449 [0,2,0,0,0,0|1,0,0]=3 1819 B11R1.21 c1c(cnc(c1Br)Br)[N+](=O)[O-] TS47135 [0,2,0,0,0,0|2,0,0]=4 1820 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O TS71449 [0,2,0,0,0,0|1,0,0]=3 1821 B11R1.21 c1c(cnc(c1Br)Cl)[N+](=O)[O-] TS08392 [0,2,0,0,0,0|2,0,0]=4 1822 B11R1.21 c1c(cnc(c1Br)F)[N+](=O)[O-] TS23213 [0,2,0,0,0,0|2,0,0]=4 1823 B11R1.21 c1c(cnc(c1Br)N)[N+](=O)[O-] TS08282 [0,2,0,0,0,0|2,0,0]=4 1824 B11R1.21 c1c(cnc(c1Br)O)C(=O)O TS55603 [0,2,0,0,0,0|1,0,0]=3 1825 B11R1.21 c1c(cnc(c1Br)O)[N+](=O)[O-] TS16868 [0,2,0,0,0,0|2,0,0]=4 1826 B11R1.21 c1c(cnc(c1Cl)Br)[N+](=O)[O-] TS08292 [0,2,0,0,0,0|2,0,0]=4 1827 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O TS71337 [0,2,0,0,0,0|1,0,0]=3 1828 B11R1.21 c1c(cnc(c1Cl)Cl)[N+](=O)[O-] TS47147 [0,2,0,0,0,0|2,0,0]=4 1829 B11R1.21 c1c(cnc(c1Cl)N)[N+](=O)[O-] TS08288 [0,2,0,0,0,0|2,0,0]=4 1830 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O TS71450 [0,2,0,0,0,0|1,0,0]=3 1831 B11R1.21 c1c(cnc(c1Cl)O)[N+](=O)[O-] TS65973 [0,2,0,0,0,0|2,0,0]=4 1832 B11R1.21 c1c(cnc(c1F)F)C(=O)O TS86664 [0,2,0,0,0,0|1,0,0]=3 1833 B11R1.21 c1c(cnc(c1I)N)[N+](=O)[O-] TS47369 [0,2,0,0,0,0|2,0,0]=4 1834 B11R1.21 c1c(cnc(c1N)O)[N+](=O)[O-] TS41484 [0,2,0,0,0,0|2,0,0]=4 1835 B11R1.21 c1c(nc(c(n1)N)Br)C(=O)O TS89514 [0,2,0,0,0,0|2,0,0]=4 1836 B11R1.21 c1c(nc(c(n1)N)I)C(=O)O TS92409 [0,2,0,0,0,0|2,0,0]=4 1837 B11R1.21 c1cc(c(cc1C(=N)N)Br)F TS28516 [0,2,0,0,0,0|2,0,0]=4 1838 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F TS20682 [0,2,0,0,0,0|2,0,0]=4 1839 B11R1.21 c1cc(c(cc1C(=N)N)Cl)F TS45558 [0,2,0,0,0,0|2,0,0]=4 1840 B11R1.21 c1cc(c(cc1C(=N)N)F)Br TS22165 [0,2,0,0,0,0|2,0,0]=4 1841 B11R1.21 c1cc(c(cc1C(=N)N)F)F TS10659 [0,2,0,0,0,0|2,0,0]=4 1842 B11R1.21 c1cc(c(cc1C(=N)N)F)F TS17575 [0,2,0,0,0,0|2,0,0]=4 1843 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F TS26099 [0,2,0,0,0,0|2,0,0]=4 1844 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl TS20791 [0,2,0,0,0,0|2,0,0]=4 1845 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F TS02684 [0,2,0,0,0,0|2,0,0]=4 1846 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F TS13940 [0,2,0,0,0,0|2,0,0]=4 1847 B11R1.21 c1cc(c(cc1C(=O)F)Br)F TS23218 [0,2,0,0,0,0|2,0,0]=4 1848 B11R1.21 c1cc(c(cc1C(=O)F)Cl)F TS13939 [0,2,0,0,0,0|2,0,0]=4 1849 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl TS16284 [0,2,0,0,0,0|1,0,0]=3 1850 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F TS13402 [0,2,0,0,0,0|1,0,0]=3 1851 B11R1.21 c1cc(c(cc1C(=O)N)F)F TS41742 [0,2,0,0,0,0|1,0,0]=3 1852 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl TS45237 [0,2,0,0,0,0|1,0,0]=3 1853 B11R1.21 c1cc(c(cc1C(=O)N)O)O TS10289 [0,2,0,0,0,0|1,0,0]=3 1854 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br TS54284 [0,2,0,0,0,0|2,0,0]=4 1855 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl TS65915 [0,2,0,0,0,0|2,0,0]=4 1856 B11R1.21 c1cc(c(cc1C(=O)O)Br)N TS39467 [0,2,0,0,0,0|2,0,0]=4 1857 B11R1.21 c1cc(c(cc1C(=O)O)Br)O TS22772 [0,2,0,0,0,0|2,0,0]=4 1858 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br TS25787 [0,2,0,0,0,0|2,0,0]=4 1859 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl TS22870 [0,2,0,0,0,0|2,0,0]=4 1860 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F TS02682 [0,2,0,0,0,0|2,0,0]=4 1861 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N TS70877 [0,2,0,0,0,0|2,0,0]=4 1862 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O TS13256 [0,2,0,0,0,0|2,0,0]=4 1863 B11R1.21 c1cc(c(cc1C(=O)O)F)Br TS08993 [0,2,0,0,0,0|2,0,0]=4 1864 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl TS71036 [0,2,0,0,0,0|2,0,0]=4 1865 B11R1.21 c1cc(c(cc1C(=O)O)F)F TS65752 [0,2,0,0,0,0|2,0,0]=4 1866 B11R1.21 c1cc(c(cc1C(=O)O)F)I TS65510 [0,2,0,0,0,0|2,0,0]=4 1867 B11R1.21 c1cc(c(cc1C(=O)O)F)N TS70880 [0,2,0,0,0,0|2,0,0]=4 1868 B11R1.21 c1cc(c(cc1C(=O)O)F)O TS08980 [0,2,0,0,0,0|2,0,0]=4 1869 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl TS09641 [0,2,0,0,0,0|2,0,0]=4 1870 B11R1.21 c1cc(c(cc1C(=O)O)I)F TS39502 [0,2,0,0,0,0|2,0,0]=4 1871 B11R1.21 c1cc(c(cc1C(=O)O)I)I TS66955 [0,2,0,0,0,0|2,0,0]=4 1872 B11R1.21 c1cc(c(cc1C(=O)O)I)N TS60370 [0,2,0,0,0,0|2,0,0]=4 1873 B11R1.21 c1cc(c(cc1C(=O)O)I)O TS29986 [0,2,0,0,0,0|2,0,0]=4 1874 B11R1.21 c1cc(c(cc1C(=O)O)N)Br TS65851 [0,2,0,0,0,0|2,0,0]=4 1875 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl TS13071 [0,2,0,0,0,0|2,0,0]=4 1876 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS17374 [0,2,0,0,0,0|2,0,0]=4 1877 B11R1.21 c1cc(c(cc1C(=O)O)N)F TS41487 [0,2,0,0,0,0|2,0,0]=4 1878 B11R1.21 c1cc(c(cc1C(=O)O)N)N TS59993 [0,2,0,0,0,0|2,0,0]=4 1879 B11R1.21 c1cc(c(cc1C(=O)O)N)O TS50979 [0,2,0,0,0,0|2,0,0]=4 1880 B11R1.21 c1cc(c(cc1C(=O)O)O)Br TS94884 [0,2,0,0,0,0|2,0,0]=4 1881 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl TS09639 [0,2,0,0,0,0|2,0,0]=4 1882 B11R1.21 c1cc(c(cc1C(=O)O)O)F TS39500 [0,2,0,0,0,0|2,0,0]=4 1883 B11R1.21 c1cc(c(cc1C(=O)O)O)I TS70605 [0,2,0,0,0,0|2,0,0]=4 1884 B11R1.21 c1cc(c(cc1C(=O)O)O)N TS70884 [0,2,0,0,0,0|2,0,0]=4 1885 B11R1.21 c1cc(c(cc1C(=O)O)O)O TS02549 [0,2,0,0,0,0|2,0,0]=4 1886 B11R1.21 c1cc(c(cc1C(=O)O)S)N TS45012 [0,2,0,0,0,0|2,0,0]=4 1887 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F TS14506 [0,2,0,0,0,0|2,0,0]=4 1888 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O TS51442 [0,2,0,0,0,0|2,0,0]=4 1889 B11R1.21 c1cc(c(cc1C(=S)N)Cl)Cl TS38924 [0,2,0,0,0,0|1,1,0]=4 1890 B11R1.21 c1cc(c(cc1C(=S)N)Cl)F TS16258 [0,2,0,0,0,0|1,1,0]=4 1891 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [0,2,0,0,0,0|2,0,0]=4 1892 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [0,2,0,0,0,0|2,0,0]=4 1893 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [0,2,0,0,0,0|2,0,0]=4 1894 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [0,2,0,0,0,0|2,0,0]=4 1895 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [0,2,0,0,0,0|2,0,0]=4 1896 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [0,2,0,0,0,0|2,0,0]=4 1897 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [0,2,0,0,0,0|1,0,0]=3 1898 B11R1.22 COC(=O)c1ccc(=O)oc1 TS10386 [0,2,0,0,0,0|2,0,0]=4 1899 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [0,2,0,0,0,0|2,0,0]=4 1900 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [0,2,0,0,0,0|2,0,0]=4 1901 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [0,2,0,0,0,0|2,0,0]=4 1902 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [0,2,0,0,0,0|2,0,0]=4 1903 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [0,2,0,0,0,0|2,0,0]=4 1904 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [0,2,0,0,0,0|2,0,0]=4 1905 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [0,2,0,0,0,0|2,0,0]=4 1906 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [0,2,0,0,0,0|2,0,0]=4 1907 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [0,2,0,0,0,0|2,0,0]=4 1908 B11R1.22 COC(=O)c1ccc(nc1)Br TS16473 [0,2,0,0,0,0|1,0,0]=3 1909 B11R1.22 COC(=O)c1ccc(nc1)Cl TS59656 [0,2,0,0,0,0|1,0,0]=3 1910 B11R1.22 COC(=O)c1ccc(nc1)F TS32946 [0,2,0,0,0,0|1,0,0]=3 1911 B11R1.22 COC(=O)c1ccc(nc1)N TS16592 [0,2,0,0,0,0|1,0,0]=3 1912 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [0,2,0,0,0,0|1,0,0]=3 1913 B11R1.22 COC(=O)c1ccc(nn1)Cl TS16595 [0,2,0,0,0,0|2,0,0]=4 1914 B11R1.22 COC(=O)c1ccc(nn1)N TS91351 [0,2,0,0,0,0|2,0,0]=4 1915 B11R1.22 COC(=O)c1ccc(nn1)O TS86427 [0,2,0,0,0,0|2,0,0]=4 1916 B11R1.22 COC(=O)c1cnc(cn1)Cl TS03262 [0,2,0,0,0,0|2,0,0]=4 1917 B11R1.22 COC(=O)c1cnc(cn1)Cl TS91500 [0,2,0,0,0,0|2,0,0]=4 1918 B11R1.22 COC(=O)c1cnc(cn1)O TS16585 [0,2,0,0,0,0|2,0,0]=4 1919 B11R1.22 COC(=O)c1cnc(nc1)Cl TS87390 [0,2,0,0,0,0|2,0,0]=4 1920 B11R1.22 COC(=O)c1cnc(nc1)N TS89966 [0,2,0,0,0,0|2,0,0]=4 1921 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [0,2,0,0,0,0|1,0,1]=4 1922 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [0,2,0,0,0,0|1,0,1]=4 1923 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [0,2,0,0,0,0|2,0,0]=4 1924 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [0,2,0,0,0,0|2,0,0]=4 1925 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [0,2,0,0,0,0|2,0,0]=4 1926 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [0,2,0,0,0,0|1,0,0]=3 1927 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [0,2,0,0,0,0|1,0,0]=3 1928 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [0,2,0,0,0,0|2,0,0]=4 1929 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [0,2,0,0,0,0|1,0,0]=3 1930 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [0,2,0,0,0,0|1,0,0]=3 1931 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [0,2,0,0,0,0|1,0,0]=3 1932 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [0,2,0,0,0,0|2,0,0]=4 1933 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [0,2,0,0,0,0|1,0,0]=3 1934 B11R1.22 Cc1cnc(cn1)C(=O)OC TS16587 [0,2,0,0,0,0|2,0,0]=4 1935 B11R1.22 Cc1ncc(cn1)C(=O)OC TS85722 [0,2,0,0,0,0|2,0,0]=4 1936 B11R1.22 c1cc(=O)[nH]cc1C(=O)NN TS10296 [0,2,0,0,0,0|0,0,1]=3 1937 B11R1.22 c1cc(ccc1C(=N)NO)F TS41354 [0,2,0,0,0,0|2,0,0]=4 1938 B11R1.22 c1cc(ccc1C(=NO)N)Cl TS22841 [0,2,0,0,0,0|1,0,1]=4 1939 B11R1.22 c1cc(ccc1C(=NO)N)F TS10396 [0,2,0,0,0,0|1,0,1]=4 1940 B11R1.22 c1cc(ccc1C(=NO)N)N TS41020 [0,2,0,0,0,0|1,0,1]=4 1941 B11R1.22 c1cc(ccc1C(=NO)N)O TS41106 [0,2,0,0,0,0|1,0,1]=4 1942 B11R1.22 c1cc(ccc1C(=O)C#N)Br TS43721 [0,2,0,0,0,0|1,0,1]=4 1943 B11R1.22 c1cc(ccc1C(=O)C#N)Cl TS42963 [0,2,0,0,0,0|1,0,1]=4 1944 B11R1.22 c1cc(ccc1C(=O)C#N)F TS59853 [0,2,0,0,0,0|1,0,1]=4 1945 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS44288 [0,2,0,0,0,0|2,0,0]=4 1946 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS71005 [0,2,0,0,0,0|2,0,0]=4 1947 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [0,2,0,0,0,0|2,0,0]=4 1948 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [0,2,0,0,0,0|2,0,0]=4 1949 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [0,2,0,0,0,0|2,0,0]=4 1950 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [0,2,0,0,0,0|2,0,0]=4 1951 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [0,2,0,0,0,0|2,0,0]=4 1952 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [0,2,0,0,0,0|2,0,0]=4 1953 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [0,2,0,0,0,0|2,0,0]=4 1954 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [0,2,0,0,0,0|2,0,0]=4 1955 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [0,2,0,0,0,0|2,0,0]=4 1956 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [0,2,0,0,0,0|2,0,0]=4 1957 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [0,2,0,0,0,0|2,0,0]=4 1958 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [0,2,0,0,0,0|2,0,0]=4 1959 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [0,2,0,0,0,0|1,0,0]=3 1960 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [0,2,0,0,0,0|1,0,0]=3 1961 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [0,2,0,0,0,0|2,0,0]=4 1962 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [0,2,0,0,0,0|2,0,0]=4 1963 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [0,2,0,0,0,0|2,0,0]=4 1964 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [0,2,0,0,0,0|2,0,0]=4 1965 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [0,2,0,0,0,0|1,0,0]=3 1966 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [0,2,0,0,0,0|1,0,0]=3 1967 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [0,2,0,0,0,0|1,0,0]=3 1968 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [0,2,0,0,0,0|1,0,0]=3 1969 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [0,2,0,0,0,0|1,0,0]=3 1970 B11R1.22 c1cc(ccc1C(=O)NO)O TS10287 [0,2,0,0,0,0|1,0,0]=3 1971 B11R1.22 c1cc(ncc1C(=O)NN)Cl TS02149 [0,2,0,0,0,0|0,0,0]=2 1972 B11R1.22 c1cc(ncc1C(=O)NN)N TS10160 [0,2,0,0,0,0|0,0,0]=2 1973 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,2,0,0,0,0|2,0,0]=4 1974 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,2,0,0,0,0|2,0,0]=4 1975 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,2,0,0,0,0|2,0,0]=4 1976 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,2,0,0,0,0|2,0,0]=4 1977 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,2,0,0,0,0|2,0,0]=4 1978 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,2,0,0,0,0|2,0,0]=4 1979 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,2,0,0,0,0|2,0,0]=4 1980 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,2,0,0,0,0|2,0,0]=4 1981 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,2,0,0,0,0|2,0,0]=4 1982 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,2,0,0,0,0|2,0,0]=4 1983 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,2,0,0,0,0|2,0,0]=4 1984 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,2,0,0,0,0|2,0,0]=4 1985 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,2,0,0,0,0|2,0,0]=4 1986 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,2,0,0,0,0|2,0,0]=4 1987 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,2,0,0,0,0|2,0,0]=4 1988 B11R1.166 Cc1c(ccc(=O)[nH]1)C(=O)C TS10037 [0,2,0,0,0,0|1,0,1]=4 1989 B11R1.166 Cc1c(ccc(n1)Br)[N+](=O)[O-] TS08367 [0,2,0,0,0,0|2,0,0]=4 1990 B11R1.166 Cc1c(ccc(n1)Cl)[N+](=O)[O-] TS55568 [0,2,0,0,0,0|2,0,0]=4 1991 B11R1.166 Cc1c(ccc(n1)F)C(=O)O TS55466 [0,2,0,0,0,0|1,0,0]=3 1992 B11R1.166 Cc1c(ccc(n1)F)[N+](=O)[O-] TS60284 [0,2,0,0,0,0|2,0,0]=4 1993 B11R1.166 Cc1c(ccc(n1)N)[N+](=O)[O-] TS47447 [0,2,0,0,0,0|2,0,0]=4 1994 B11R1.166 Cc1c(ccc(n1)O)[N+](=O)[O-] TS01054 [0,2,0,0,0,0|2,0,0]=4 1995 B11R1.166 Cc1c(cnc(n1)C)C(=O)O TS22992 [0,2,0,0,0,0|2,0,0]=4 1996 B11R1.166 Cc1c(cnc(n1)N)C(=O)C TS10045 [0,2,0,0,0,0|2,0,0]=4 1997 B11R1.166 Cc1c(cnc(n1)N)C(=O)O TS10294 [0,2,0,0,0,0|2,0,0]=4 1998 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl TS86738 [0,2,0,0,0,0|1,0,0]=3 1999 B11R1.166 Cc1cc(c(cn1)C(=O)O)N TS86777 [0,2,0,0,0,0|1,0,0]=3 2000 B11R1.166 Cc1cc(c(cn1)C(=O)O)O TS71160 [0,2,0,0,0,0|1,0,0]=3 2001 B11R1.166 Cc1cc(c(cn1)[N+](=O)[O-])N TS10295 [0,2,0,0,0,0|2,0,0]=4 2002 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,2,0,0,0,0|2,0,0]=4 2003 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,2,0,0,0,0|2,0,0]=4 2004 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,2,0,0,0,0|2,0,0]=4 2005 B11R1.166 Cc1cc(ccc1C(=O)Cl)F TS45557 [0,2,0,0,0,0|2,0,0]=4 2006 B11R1.166 Cc1cc(ccc1C(=O)O)Br TS70960 [0,2,0,0,0,0|2,0,0]=4 2007 B11R1.166 Cc1cc(ccc1C(=O)O)Cl TS12928 [0,2,0,0,0,0|2,0,0]=4 2008 B11R1.166 Cc1cc(ccc1C(=O)O)F TS09702 [0,2,0,0,0,0|2,0,0]=4 2009 B11R1.166 Cc1cc(ccc1C(=O)O)N TS02967 [0,2,0,0,0,0|2,0,0]=4 2010 B11R1.166 Cc1cc(ccc1C(=O)O)O TS32970 [0,2,0,0,0,0|2,0,0]=4 2011 B11R1.166 Cc1cc(ncc1C(=O)O)C TS10035 [0,2,0,0,0,0|1,0,0]=3 2012 B11R1.166 Cc1cc(ncc1C(=O)O)N TS41121 [0,2,0,0,0,0|1,0,0]=3 2013 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])Br TS08329 [0,2,0,0,0,0|2,0,0]=4 2014 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])C TS10154 [0,2,0,0,0,0|2,0,0]=4 2015 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])Cl TS55230 [0,2,0,0,0,0|2,0,0]=4 2016 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])F TS55339 [0,2,0,0,0,0|2,0,0]=4 2017 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])N TS47410 [0,2,0,0,0,0|2,0,0]=4 2018 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])N TS85433 [0,2,0,0,0,0|2,0,0]=4 2019 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])O TS55393 [0,2,0,0,0,0|2,0,0]=4 2020 B11R1.166 Cc1ccc(c(=S)[nH]1)C(=O)C TS12412 [0,2,0,0,0,0|1,0,1]=4 2021 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O TS08332 [0,2,0,0,0,0|2,0,0]=4 2022 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,2,0,0,0,0|2,0,0]=4 2023 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl TS02130 [0,2,0,0,0,0|2,0,0]=4 2024 B11R1.166 Cc1ccc(c(c1)C)C(=O)O TS40844 [0,2,0,0,0,0|2,0,0]=4 2025 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O TS09277 [0,2,0,0,0,0|2,0,0]=4 2026 B11R1.166 Cc1ccc(c(c1)F)C(=O)O TS55341 [0,2,0,0,0,0|2,0,0]=4 2027 B11R1.166 Cc1ccc(c(c1)N)C(=O)N TS39258 [0,2,0,0,0,0|1,0,0]=3 2028 B11R1.166 Cc1ccc(c(c1)N)C(=O)O TS47412 [0,2,0,0,0,0|2,0,0]=4 2029 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,2,0,0,0,0|2,0,0]=4 2030 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,2,0,0,0,0|1,0,0]=3 2031 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,2,0,0,0,0|2,0,0]=4 2032 B11R1.166 Cc1ccc(c(n1)Br)[N+](=O)[O-] TS08965 [0,2,0,0,0,0|2,0,0]=4 2033 B11R1.166 Cc1ccc(c(n1)C)C(=O)O TS40991 [0,2,0,0,0,0|1,0,0]=3 2034 B11R1.166 Cc1ccc(c(n1)C)[N+](=O)[O-] TS41116 [0,2,0,0,0,0|2,0,0]=4 2035 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)N TS45243 [0,2,0,0,0,0|0,0,0]=2 2036 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O TS09664 [0,2,0,0,0,0|1,0,0]=3 2037 B11R1.166 Cc1ccc(c(n1)Cl)[N+](=O)[O-] TS08429 [0,2,0,0,0,0|2,0,0]=4 2038 B11R1.166 Cc1ccc(c(n1)N)C(=O)O TS91434 [0,2,0,0,0,0|1,0,0]=3 2039 B11R1.166 Cc1ccc(c(n1)N)[N+](=O)[O-] TS00723 [0,2,0,0,0,0|2,0,0]=4 2040 B11R1.166 Cc1ccc(c(n1)O)C(=O)O TS01058 [0,2,0,0,0,0|1,0,0]=3 2041 B11R1.166 Cc1ccc(c(n1)O)[N+](=O)[O-] TS55627 [0,2,0,0,0,0|2,0,0]=4 2042 B11R1.166 Cc1cnc(c(n1)C)C(=O)C TS09884 [0,2,0,0,0,0|2,0,0]=4 2043 B11R1.166 c1c(c(cnc1Br)[N+](=O)[O-])Br TS34369 [0,2,0,0,0,0|2,0,0]=4 2044 B11R1.166 c1c(c(cnc1Br)[N+](=O)[O-])N TS86009 [0,2,0,0,0,0|2,0,0]=4 2045 B11R1.166 c1c(c(cnc1Cl)C(=O)N)Cl TS17219 [0,2,0,0,0,0|0,0,0]=2 2046 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl TS02915 [0,2,0,0,0,0|1,0,0]=3 2047 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N TS86044 [0,2,0,0,0,0|1,0,0]=3 2048 B11R1.166 c1c(c(cnc1Cl)[N+](=O)[O-])Cl TS00613 [0,2,0,0,0,0|2,0,0]=4 2049 B11R1.166 c1c(c(cnc1Cl)[N+](=O)[O-])N TS70875 [0,2,0,0,0,0|2,0,0]=4 2050 B11R1.166 c1c(c(cnc1F)C(=O)O)F TS02920 [0,2,0,0,0,0|1,0,0]=3 2051 B11R1.166 c1c(c(cnc1F)C(=O)O)N TS87893 [0,2,0,0,0,0|1,0,0]=3 2052 B11R1.166 c1c(c(cnc1N)[N+](=O)[O-])Br TS87536 [0,2,0,0,0,0|2,0,0]=4 2053 B11R1.166 c1c(c(cnc1N)[N+](=O)[O-])Cl TS45694 [0,2,0,0,0,0|2,0,0]=4 2054 B11R1.166 c1c(c(cnc1O)C(=O)O)N TS41331 [0,2,0,0,0,0|1,0,0]=3 2055 B11R1.166 c1c(c(cnc1O)C(=O)O)O TS10557 [0,2,0,0,0,0|1,0,0]=3 2056 B11R1.166 c1c(c(cnc1O)[N+](=O)[O-])Cl TS71046 [0,2,0,0,0,0|2,0,0]=4 2057 B11R1.166 c1c(c(cnc1O)[N+](=O)[O-])N TS02988 [0,2,0,0,0,0|2,0,0]=4 2058 B11R1.166 c1c(c(nc(=O)[nH]1)N)C(=O)O TS59708 [0,2,0,0,0,0|2,0,0]=4 2059 B11R1.166 c1c(c(nc(n1)Cl)Cl)C(=O)Cl TS47199 [0,2,0,0,0,0|2,0,0]=4 2060 B11R1.166 c1c(c(nc(n1)Cl)Cl)C(=O)O TS47200 [0,2,0,0,0,0|2,0,0]=4 2061 B11R1.166 c1c(c(nc(n1)S)O)C(=O)O TS13128 [0,2,0,0,0,0|2,0,0]=4 2062 B11R1.166 c1c(cnc(c1N)C(=O)N)Br TS90046 [0,2,0,0,0,0|2,0,0]=4 2063 B11R1.166 c1c(cnc(c1N)C(=O)N)Cl TS13085 [0,2,0,0,0,0|2,0,0]=4 2064 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl TS90418 [0,2,0,0,0,0|2,0,0]=4 2065 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O TS22987 [0,2,0,0,0,0|2,0,0]=4 2066 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O TS25788 [0,2,0,0,0,0|2,0,0]=4 2067 B11R1.166 c1cc(c(cc1Br)F)C(=N)N TS28515 [0,2,0,0,0,0|2,0,0]=4 2068 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl TS26102 [0,2,0,0,0,0|2,0,0]=4 2069 B11R1.166 c1cc(c(cc1Br)F)C(=O)O TS16941 [0,2,0,0,0,0|2,0,0]=4 2070 B11R1.166 c1cc(c(cc1Br)I)C(=O)O TS77656 [0,2,0,0,0,0|2,0,0]=4 2071 B11R1.166 c1cc(c(cc1Br)N)C(=O)O TS47390 [0,2,0,0,0,0|2,0,0]=4 2072 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [0,2,0,0,0,0|2,0,0]=4 2073 B11R1.166 c1cc(c(cc1Br)S)C(=O)O TS25338 [0,2,0,0,0,0|2,0,0]=4 2074 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O TS55098 [0,2,0,0,0,0|2,0,0]=4 2075 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N TS24062 [0,2,0,0,0,0|2,0,0]=4 2076 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl TS20793 [0,2,0,0,0,0|2,0,0]=4 2077 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N TS16280 [0,2,0,0,0,0|1,0,0]=3 2078 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O TS17211 [0,2,0,0,0,0|2,0,0]=4 2079 B11R1.166 c1cc(c(cc1Cl)Cl)C(=S)N TS20102 [0,2,0,0,0,0|1,1,0]=4 2080 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl TS17598 [0,2,0,0,0,0|2,0,0]=4 2081 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O TS39483 [0,2,0,0,0,0|2,0,0]=4 2082 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O TS39490 [0,2,0,0,0,0|2,0,0]=4 2083 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O TS00744 [0,2,0,0,0,0|2,0,0]=4 2084 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [0,2,0,0,0,0|2,0,0]=4 2085 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl TS26101 [0,2,0,0,0,0|2,0,0]=4 2086 B11R1.166 c1cc(c(cc1F)Br)C(=O)O TS08812 [0,2,0,0,0,0|2,0,0]=4 2087 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl TS00887 [0,2,0,0,0,0|2,0,0]=4 2088 B11R1.166 c1cc(c(cc1F)Cl)C(=O)N TS45695 [0,2,0,0,0,0|1,0,0]=3 2089 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O TS00885 [0,2,0,0,0,0|2,0,0]=4 2090 B11R1.166 c1cc(c(cc1F)F)C(=N)N TS17577 [0,2,0,0,0,0|2,0,0]=4 2091 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl TS13938 [0,2,0,0,0,0|2,0,0]=4 2092 B11R1.166 c1cc(c(cc1F)F)C(=O)N TS41744 [0,2,0,0,0,0|1,0,0]=3 2093 B11R1.166 c1cc(c(cc1F)F)C(=O)O TS00630 [0,2,0,0,0,0|2,0,0]=4 2094 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] TS14505 [0,2,0,0,0,0|2,0,0]=4 2095 B11R1.166 c1cc(c(cc1F)F)C(=S)N TS45603 [0,2,0,0,0,0|1,1,0]=4 2096 B11R1.166 c1cc(c(cc1F)I)C(=O)O TS09699 [0,2,0,0,0,0|2,0,0]=4 2097 B11R1.166 c1cc(c(cc1F)N)C(=O)O TS00751 [0,2,0,0,0,0|2,0,0]=4 2098 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [0,2,0,0,0,0|2,0,0]=4 2099 B11R1.166 c1cc(c(cc1F)S)C(=O)O TS13135 [0,2,0,0,0,0|2,0,0]=4 2100 B11R1.166 c1cc(c(cc1I)Br)C(=O)O TS77655 [0,2,0,0,0,0|2,0,0]=4 2101 B11R1.166 c1cc(c(cc1I)F)C(=O)O TS09294 [0,2,0,0,0,0|2,0,0]=4 2102 B11R1.166 c1cc(c(cc1I)N)C(=O)O TS47401 [0,2,0,0,0,0|2,0,0]=4 2103 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [0,2,0,0,0,0|2,0,0]=4 2104 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O TS02957 [0,2,0,0,0,0|2,0,0]=4 2105 B11R1.166 c1cc(c(cc1N)F)C(=O)O TS02962 [0,2,0,0,0,0|2,0,0]=4 2106 B11R1.166 c1cc(c(cc1N)N)C(=O)O TS41115 [0,2,0,0,0,0|2,0,0]=4 2107 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [0,2,0,0,0,0|2,0,0]=4 2108 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS00265 [0,2,0,0,0,0|2,0,0]=4 2109 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS45911 [0,2,0,0,0,0|2,0,0]=4 2110 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS78687 [0,2,0,0,0,0|2,0,0]=4 2111 B11R1.166 c1cc(c(cc1O)F)C(=O)O TS01827 [0,2,0,0,0,0|2,0,0]=4 2112 B11R1.166 c1cc(c(cc1O)O)C(=O)N TS10290 [0,2,0,0,0,0|1,0,0]=3 2113 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [0,2,0,0,0,0|2,0,0]=4 2114 B11R1.166 c1cc(nc(c1C(=O)N)N)Cl TS13084 [0,2,0,0,0,0|0,0,0]=2 2115 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br TS34264 [0,2,0,0,0,0|1,0,0]=3 2116 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl TS34635 [0,2,0,0,0,0|1,0,0]=3 2117 B11R1.166 c1cc(nc(c1C(=O)O)Cl)O TS55263 [0,2,0,0,0,0|1,0,0]=3 2118 B11R1.166 c1cc(nc(c1C(=O)O)F)F TS47311 [0,2,0,0,0,0|1,0,0]=3 2119 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl TS89647 [0,2,0,0,0,0|1,0,0]=3 2120 B11R1.166 c1cc(nc(c1C(=O)O)O)O TS10554 [0,2,0,0,0,0|1,0,0]=3 2121 B11R1.166 c1cc(nc(c1[N+](=O)[O-])Br)Br TS00689 [0,2,0,0,0,0|2,0,0]=4 2122 B11R1.166 c1cc(nc(c1[N+](=O)[O-])Cl)Cl TS47290 [0,2,0,0,0,0|2,0,0]=4 2123 B11R1.166 c1cc(nc(c1[N+](=O)[O-])N)Br TS22316 [0,2,0,0,0,0|2,0,0]=4 2124 B11R1.166 c1cc(nc(c1[N+](=O)[O-])N)Cl TS00800 [0,2,0,0,0,0|2,0,0]=4 2125 B11R1.166 c1cc(nc(c1[N+](=O)[O-])O)Cl TS45856 [0,2,0,0,0,0|2,0,0]=4 2126 B11R1.166 c1cc(nc(c1[N+](=O)[O-])O)O TS41580 [0,2,0,0,0,0|2,0,0]=4 2127 B11R1.7 CNS(=O)(=O)c1ccccc1 TS45325 [0,2,0,0,0,0|2,0,0]=4 2128 B11R1.7 c1ccc(cc1)S(=O)(=O)NN TS45466 [0,2,0,0,0,0|2,0,0]=4 2129 B11R1.7 c1ccc(cc1)S(=O)(=O)NO TS45614 [0,2,0,0,0,0|2,0,0]=4 2130 B11R1.12 c1ccc(cc1)C(=CO)C=O TS07413 [0,2,0,0,0,0|2,0,0]=4 2131 B11R1.16 C=COC(=O)c1ccccc1 TS07417 [0,2,0,0,0,0|2,0,0]=4 2132 B11R1.16 CC(c1cccnc1)NC=O TS09886 [0,2,0,0,0,0|1,0,1]=4 2133 B11R1.16 CC=CC(=O)c1ccccc1 TS07230 [0,2,0,0,0,0|2,0,0]=4 2134 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [0,2,0,0,0,0|2,0,0]=4 2135 B11R1.16 CCNC(=O)c1ccccc1 TS07570 [0,2,0,0,0,0|1,0,0]=3 2136 B11R1.16 CCNC(=O)c1cccnc1 TS40872 [0,2,0,0,0,0|0,0,0]=2 2137 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [0,2,0,0,0,0|2,0,0]=4 2138 B11R1.16 CCOC(=O)c1cccnc1 TS41007 [0,2,0,0,0,0|1,0,0]=3 2139 B11R1.16 CCOC(=O)c1cnccn1 TS41125 [0,2,0,0,0,0|2,0,0]=4 2140 B11R1.16 CNCC(=O)c1ccccc1 TS15529 [0,2,0,0,0,0|1,0,0]=3 2141 B11R1.16 COCC(=O)c1ccccc1 TS09863 [0,2,0,0,0,0|2,0,0]=4 2142 B11R1.16 c1cc(cnc1)C(=O)CC#N TS70697 [0,2,0,0,0,0|0,0,1]=3 2143 B11R1.16 c1cc(cnc1)C(=O)N=[N+]=[N-] TS40606 [0,2,0,0,0,0|0,0,1]=3 2144 B11R1.16 c1cc(cnc1)C(=O)NCO TS41113 [0,2,0,0,0,0|0,0,0]=2 2145 B11R1.16 c1ccc(cc1)C(=O)C=NO TS40717 [0,2,0,0,0,0|1,0,1]=4 2146 B11R1.16 c1ccc(cc1)C(=O)C=[N+]=[N-] TS40403 [0,2,0,0,0,0|1,0,1]=4 2147 B11R1.16 c1ccc(cc1)C(=O)CC#N TS39724 [0,2,0,0,0,0|1,0,1]=4 2148 B11R1.16 c1ccc(cc1)C(=O)CCCl TS12618 [0,2,0,0,0,0|2,0,0]=4 2149 B11R1.16 c1ccc(cc1)C(=O)N=C=O TS07295 [0,2,0,0,0,0|1,0,1]=4 2150 B11R1.16 c1ccc(cc1)C(=O)N=C=S TS01371 [0,2,0,0,0,0|1,0,1]=4 2151 B11R1.16 c1ccc(cc1)C(=O)NCO TS41014 [0,2,0,0,0,0|1,0,0]=3 2152 B11R1.16 c1ccc(cc1)C(=O)OCCl TS12930 [0,2,0,0,0,0|2,0,0]=4 2153 B11R1.16 c1ccc(cc1)C(=O)SCO TS44889 [0,2,0,0,0,0|2,0,0]=4 2154 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [0,2,0,0,0,0|2,0,0]=4 2155 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [0,2,0,0,0,0|2,0,0]=4 2156 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [0,2,0,0,0,0|2,0,0]=4 2157 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [0,2,0,0,0,0|2,0,0]=4 2158 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [0,2,0,0,0,0|2,0,0]=4 2159 B11R1.23 CNC(=O)c1cc(ccn1)Cl TS85370 [0,2,0,0,0,0|2,0,0]=4 2160 B11R1.23 CNC(=O)c1cccc(c1)N TS02663 [0,2,0,0,0,0|1,0,0]=3 2161 B11R1.23 CNC(=O)c1ccnc(c1)Br TS44645 [0,2,0,0,0,0|2,0,0]=4 2162 B11R1.23 COC(=O)c1cc(cnc1)Br TS44779 [0,2,0,0,0,0|1,0,0]=3 2163 B11R1.23 COC(=O)c1cc(cnc1)Br TS85527 [0,2,0,0,0,0|1,0,0]=3 2164 B11R1.23 COC(=O)c1cc(cnc1)F TS86193 [0,2,0,0,0,0|1,0,0]=3 2165 B11R1.23 COC(=O)c1cc(cnc1)N TS56298 [0,2,0,0,0,0|1,0,0]=3 2166 B11R1.23 COC(=O)c1cc(cnc1)O TS59798 [0,2,0,0,0,0|1,0,0]=3 2167 B11R1.23 COC(=O)c1cc(nnc1)Cl TS90959 [0,2,0,0,0,0|2,0,0]=4 2168 B11R1.23 COC(=O)c1cccc(c1)Br TS56266 [0,2,0,0,0,0|2,0,0]=4 2169 B11R1.23 COC(=O)c1cccc(c1)Cl TS12918 [0,2,0,0,0,0|2,0,0]=4 2170 B11R1.23 COC(=O)c1cccc(c1)F TS41351 [0,2,0,0,0,0|2,0,0]=4 2171 B11R1.23 COC(=O)c1cccc(c1)I TS70627 [0,2,0,0,0,0|2,0,0]=4 2172 B11R1.23 COC(=O)c1cccc(c1)N TS10028 [0,2,0,0,0,0|2,0,0]=4 2173 B11R1.23 COC(=O)c1cccc(c1)O TS10128 [0,2,0,0,0,0|2,0,0]=4 2174 B11R1.23 COC(=O)c1cncc(n1)Cl TS16593 [0,2,0,0,0,0|2,0,0]=4 2175 B11R1.23 COC(=O)c1cncc(n1)N TS01211 [0,2,0,0,0,0|2,0,0]=4 2176 B11R1.23 Cc1cc(cnc1)C(=O)OC TS02310 [0,2,0,0,0,0|1,0,0]=3 2177 B11R1.23 Cc1cccc(c1)C(=NO)N TS09900 [0,2,0,0,0,0|1,0,1]=4 2178 B11R1.23 Cc1cccc(c1)C(=O)C#N TS07086 [0,2,0,0,0,0|1,0,1]=4 2179 B11R1.23 Cc1cccc(c1)C(=O)NN TS40877 [0,2,0,0,0,0|1,0,0]=3 2180 B11R1.23 Cc1cccc(c1)C(=O)OC TS09871 [0,2,0,0,0,0|2,0,0]=4 2181 B11R1.23 c1c(cncc1Br)C(=O)NN TS44783 [0,2,0,0,0,0|0,0,0]=2 2182 B11R1.23 c1cc(cc(c1)Br)C(=O)C#N TS43720 [0,2,0,0,0,0|1,0,1]=4 2183 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr TS47138 [0,2,0,0,0,0|2,0,0]=4 2184 B11R1.23 c1cc(cc(c1)Br)C(=O)NN TS22887 [0,2,0,0,0,0|1,0,0]=3 2185 B11R1.23 c1cc(cc(c1)Cl)C(=N)NO TS45236 [0,2,0,0,0,0|2,0,0]=4 2186 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N TS42965 [0,2,0,0,0,0|1,0,1]=4 2187 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr TS00836 [0,2,0,0,0,0|2,0,0]=4 2188 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl TS50852 [0,2,0,0,0,0|2,0,0]=4 2189 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [0,2,0,0,0,0|1,0,0]=3 2190 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN TS45241 [0,2,0,0,0,0|1,0,0]=3 2191 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO TS02719 [0,2,0,0,0,0|2,0,0]=4 2192 B11R1.23 c1cc(cc(c1)F)C(=O)C#N TS40712 [0,2,0,0,0,0|1,0,1]=4 2193 B11R1.23 c1cc(cc(c1)F)C(=O)CBr TS70599 [0,2,0,0,0,0|2,0,0]=4 2194 B11R1.23 c1cc(cc(c1)F)C(=O)CCl TS09259 [0,2,0,0,0,0|2,0,0]=4 2195 B11R1.23 c1cc(cc(c1)F)C(=O)NN TS10394 [0,2,0,0,0,0|1,0,0]=3 2196 B11R1.23 c1cc(cc(c1)N)C(=O)CBr TS44452 [0,2,0,0,0,0|2,0,0]=4 2197 B11R1.23 c1cc(cc(c1)N)C(=O)NN TS10046 [0,2,0,0,0,0|1,0,0]=3 2198 B11R1.23 c1cc(cc(c1)O)C(=O)CBr TS44634 [0,2,0,0,0,0|2,0,0]=4 2199 B11R1.23 c1cc(cc(c1)O)C(=O)NN TS41112 [0,2,0,0,0,0|1,0,0]=3 2200 B11R1.23 c1cc(nc(c1)I)C(=O)NN TS29873 [0,2,0,0,0,0|2,0,0]=4 2201 B11R1.23 c1cnc(cc1C(=O)NN)Cl TS13080 [0,2,0,0,0,0|2,0,0]=4 2202 B11R1.23 c1cnc(cc1C(=O)NN)N TS10161 [0,2,0,0,0,0|2,0,0]=4 2203 B11R1.23 c1cnc(cc1Cl)C(=O)NN TS13082 [0,2,0,0,0,0|2,0,0]=4 2204 B11R1.222 CCC(=O)c1ccccc1F TS01035 [0,2,0,0,0,0|2,0,0]=4 2205 B11R1.222 CCC(=O)c1ccccc1O TS09859 [0,2,0,0,0,0|2,0,0]=4 2206 B11R1.222 CNC(=O)c1ccccc1Br TS44448 [0,2,0,0,0,0|1,0,0]=3 2207 B11R1.222 CNC(=O)c1ccccc1N TS00814 [0,2,0,0,0,0|1,0,0]=3 2208 B11R1.222 CNC(=O)c1ccccc1O TS41017 [0,2,0,0,0,0|1,0,0]=3 2209 B11R1.222 CNC(=O)c1cccnc1N TS10047 [0,2,0,0,0,0|0,0,0]=2 2210 B11R1.222 COC(=O)c1c(nccn1)Br TS87022 [0,2,0,0,0,0|2,0,0]=4 2211 B11R1.222 COC(=O)c1c(nccn1)Cl TS16646 [0,2,0,0,0,0|2,0,0]=4 2212 B11R1.222 COC(=O)c1c(nccn1)N TS08547 [0,2,0,0,0,0|2,0,0]=4 2213 B11R1.222 COC(=O)c1c(nccn1)O TS41332 [0,2,0,0,0,0|2,0,0]=4 2214 B11R1.222 COC(=O)c1ccc[nH]c1=O TS56261 [0,2,0,0,0,0|1,0,1]=4 2215 B11R1.222 COC(=O)c1ccccc1Br TS44643 [0,2,0,0,0,0|2,0,0]=4 2216 B11R1.222 COC(=O)c1ccccc1Cl TS12913 [0,2,0,0,0,0|2,0,0]=4 2217 B11R1.222 COC(=O)c1ccccc1F TS56255 [0,2,0,0,0,0|2,0,0]=4 2218 B11R1.222 COC(=O)c1ccccc1I TS29742 [0,2,0,0,0,0|2,0,0]=4 2219 B11R1.222 COC(=O)c1ccccc1N TS56313 [0,2,0,0,0,0|2,0,0]=4 2220 B11R1.222 COC(=O)c1ccccc1O TS10129 [0,2,0,0,0,0|2,0,0]=4 2221 B11R1.222 COC(=O)c1ccccc1S TS44891 [0,2,0,0,0,0|2,0,0]=4 2222 B11R1.222 COC(=O)c1cccnc1Br TS59949 [0,2,0,0,0,0|1,0,0]=3 2223 B11R1.222 COC(=O)c1cccnc1Cl TS56252 [0,2,0,0,0,0|1,0,0]=3 2224 B11R1.222 COC(=O)c1cccnc1F TS01029 [0,2,0,0,0,0|1,0,0]=3 2225 B11R1.222 COC(=O)c1cccnc1N TS08546 [0,2,0,0,0,0|1,0,0]=3 2226 B11R1.222 COC(=O)c1cccnc1O TS41251 [0,2,0,0,0,0|1,0,0]=3 2227 B11R1.222 COC(=O)c1ccnnc1N TS94860 [0,2,0,0,0,0|2,0,0]=4 2228 B11R1.222 COC(=O)c1cnccc1Cl TS09678 [0,2,0,0,0,0|1,0,0]=3 2229 B11R1.222 COC(=O)c1cnccc1N TS08595 [0,2,0,0,0,0|1,0,0]=3 2230 B11R1.222 COC(=O)c1cnccc1O TS16569 [0,2,0,0,0,0|1,0,0]=3 2231 B11R1.222 Cc1c(cccn1)C(=O)OC TS56260 [0,2,0,0,0,0|1,0,0]=3 2232 B11R1.222 Cc1ccccc1C(=O)C#N TS07084 [0,2,0,0,0,0|1,0,1]=4 2233 B11R1.222 Cc1ccccc1C(=O)NC TS40759 [0,2,0,0,0,0|1,0,0]=3 2234 B11R1.222 Cc1ccccc1C(=O)NN TS40876 [0,2,0,0,0,0|1,0,0]=3 2235 B11R1.222 Cc1ccccc1C(=O)OC TS09866 [0,2,0,0,0,0|2,0,0]=4 2236 B11R1.222 Cc1ccncc1C(=O)OC TS16573 [0,2,0,0,0,0|1,0,0]=3 2237 B11R1.222 Cc1cnncc1C(=O)OC TS91909 [0,2,0,0,0,0|2,0,0]=4 2238 B11R1.222 c1ccc(c(c1)C(=N)NO)Cl TS45232 [0,2,0,0,0,0|2,0,0]=4 2239 B11R1.222 c1ccc(c(c1)C(=NO)N)N TS41025 [0,2,0,0,0,0|1,0,1]=4 2240 B11R1.222 c1ccc(c(c1)C(=NO)N)O TS10149 [0,2,0,0,0,0|1,0,1]=4 2241 B11R1.222 c1ccc(c(c1)C(=O)C#N)Br TS43719 [0,2,0,0,0,0|1,0,1]=4 2242 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl TS42962 [0,2,0,0,0,0|1,0,1]=4 2243 B11R1.222 c1ccc(c(c1)C(=O)C#N)F TS40715 [0,2,0,0,0,0|1,0,1]=4 2244 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br TS00854 [0,2,0,0,0,0|2,0,0]=4 2245 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl TS08386 [0,2,0,0,0,0|2,0,0]=4 2246 B11R1.222 c1ccc(c(c1)C(=O)CBr)F TS01031 [0,2,0,0,0,0|2,0,0]=4 2247 B11R1.222 c1ccc(c(c1)C(=O)CBr)O TS44636 [0,2,0,0,0,0|2,0,0]=4 2248 B11R1.222 c1ccc(c(c1)C(=O)CCl)N TS08140 [0,2,0,0,0,0|2,0,0]=4 2249 B11R1.222 c1ccc(c(c1)C(=O)CN)F TS08266 [0,2,0,0,0,0|1,0,0]=3 2250 B11R1.222 c1ccc(c(c1)C(=O)NN)Br TS44649 [0,2,0,0,0,0|1,0,0]=3 2251 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl TS45234 [0,2,0,0,0,0|1,0,0]=3 2252 B11R1.222 c1ccc(c(c1)C(=O)NN)F TS10393 [0,2,0,0,0,0|1,0,0]=3 2253 B11R1.222 c1ccc(c(c1)C(=O)NN)I TS29743 [0,2,0,0,0,0|1,0,0]=3 2254 B11R1.222 c1ccc(c(c1)C(=O)NN)N TS41026 [0,2,0,0,0,0|1,0,0]=3 2255 B11R1.222 c1ccc(c(c1)C(=O)NN)O TS41118 [0,2,0,0,0,0|1,0,0]=3 2256 B11R1.222 c1ccc(c(c1)C(=O)NO)N TS10147 [0,2,0,0,0,0|1,0,0]=3 2257 B11R1.222 c1ccc(c(c1)C(=O)NO)O TS22737 [0,2,0,0,0,0|1,0,0]=3 2258 B11R1.222 c1cnc(c(n1)C(=O)NN)N TS10305 [0,2,0,0,0,0|1,0,0]=3 2259 B11R1.87 Cc1ccccc1S(=O)(=O)N TS13015 [0,2,0,0,0,0|2,0,0]=4 2260 B11R1.87 Cc1ccncc1S(=O)(=O)O TS45613 [0,2,0,0,0,0|2,0,0]=4 2261 B11R1.87 c1cc(c(nc1)Cl)S(=O)(=O)Cl TS21250 [0,2,0,0,0,0|2,0,0]=4 2262 B11R1.87 c1cc(c(nc1)Cl)S(=O)(=O)N TS51562 [0,2,0,0,0,0|1,0,0]=3 2263 B11R1.87 c1cc(c(nc1)Cl)S(=O)(=O)O TS17731 [0,2,0,0,0,0|2,0,0]=4 2264 B11R1.87 c1cc(c(nc1)N)S(=O)(=O)O TS13471 [0,2,0,0,0,0|2,0,0]=4 2265 B11R1.87 c1cc(c(nc1)O)S(=O)(=O)O TS13642 [0,2,0,0,0,0|2,0,0]=4 2266 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)N TS13645 [0,2,0,0,0,0|2,0,0]=4 2267 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)N TS45471 [0,2,0,0,0,0|2,0,0]=4 2268 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Br TS56746 [0,2,0,0,0,0|2,0,0]=4 2269 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Cl TS00950 [0,2,0,0,0,0|2,0,0]=4 2270 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)I TS34503 [0,2,0,0,0,0|2,0,0]=4 2271 B11R1.87 c1cncc(c1Cl)S(=O)(=O)Cl TS21249 [0,2,0,0,0,0|2,0,0]=4 2272 B11R1.87 c1cncc(c1Cl)S(=O)(=O)N TS09654 [0,2,0,0,0,0|1,0,0]=3 2273 B11R1.87 c1cncc(c1Cl)S(=O)(=O)N TS51561 [0,2,0,0,0,0|1,0,0]=3 2274 B11R1.87 c1cncc(c1Cl)S(=O)(=O)O TS17730 [0,2,0,0,0,0|2,0,0]=4 2275 B11R1.87 c1cncc(c1N)S(=O)(=O)N TS03232 [0,2,0,0,0,0|1,0,0]=3 2276 B11R1.87 c1cncc(c1N)S(=O)(=O)O TS13468 [0,2,0,0,0,0|2,0,0]=4 2277 B11R1.87 c1cncc(c1O)S(=O)(=O)O TS13640 [0,2,0,0,0,0|2,0,0]=4 2278 B11R1.155 CC(C)(c1cc(cnc1)Br)N TS89401 [0,2,0,0,0,0|1,0,1]=4 2279 B11R1.155 Cc1cc(cnc1)S(=O)(=O)O TS01163 [0,2,0,0,0,0|2,0,0]=4 2280 B11R1.155 c1c(cncc1S(=O)(=O)N)N TS45621 [0,2,0,0,0,0|1,0,0]=3 2281 B11R1.155 c1cc(cc(c1)Br)S(=O)(=O)N TS56745 [0,2,0,0,0,0|2,0,0]=4 2282 B11R1.155 c1cc(cc(c1)S(=O)(=O)N)F TS13646 [0,2,0,0,0,0|2,0,0]=4 2283 B11R1.53 C#Cc1ccccc1C(=O)O TS07176 [0,2,0,0,0,0|2,0,0]=4 2284 B11R1.53 CC(=O)c1ccccc1C#N TS07089 [0,2,0,0,0,0|2,0,0]=4 2285 B11R1.53 CC(=O)c1ccccc1OC TS09870 [0,2,0,0,0,0|2,0,0]=4 2286 B11R1.53 CCc1c(cccn1)[N+](=O)[O-] TS91401 [0,2,0,0,0,0|2,0,0]=4 2287 B11R1.53 CCc1c(nccn1)C(=O)C TS09880 [0,2,0,0,0,0|2,0,0]=4 2288 B11R1.53 CCc1ccccc1C(=O)O TS55311 [0,2,0,0,0,0|2,0,0]=4 2289 B11R1.53 CCc1ccccc1C(=S)N TS12087 [0,2,0,0,0,0|1,1,0]=4 2290 B11R1.53 CNc1c(cccn1)C(=O)O TS41111 [0,2,0,0,0,0|1,0,0]=3 2291 B11R1.53 CNc1ccccc1C(=O)N TS09878 [0,2,0,0,0,0|1,0,0]=3 2292 B11R1.53 CNc1ccccc1C(=O)O TS40996 [0,2,0,0,0,0|2,0,0]=4 2293 B11R1.53 CNc1ccncc1[N+](=O)[O-] TS70780 [0,2,0,0,0,0|2,0,0]=4 2294 B11R1.53 COc1c(cccn1)C(=O)O TS41256 [0,2,0,0,0,0|1,0,0]=3 2295 B11R1.53 COc1c(cccn1)[N+](=O)[O-] TS01088 [0,2,0,0,0,0|2,0,0]=4 2296 B11R1.53 COc1ccccc1C(=N)N TS15732 [0,2,0,0,0,0|2,0,0]=4 2297 B11R1.53 COc1ccccc1C(=O)Cl TS12916 [0,2,0,0,0,0|2,0,0]=4 2298 B11R1.53 COc1ccccc1C(=O)N TS10036 [0,2,0,0,0,0|1,0,0]=3 2299 B11R1.53 COc1ccccc1C(=O)O TS00089 [0,2,0,0,0,0|2,0,0]=4 2300 B11R1.53 COc1ccccc1C(=S)N TS12414 [0,2,0,0,0,0|1,1,0]=4 2301 B11R1.53 COc1ccncc1[N+](=O)[O-] TS71214 [0,2,0,0,0,0|2,0,0]=4 2302 B11R1.53 COc1ccncc1[N+](=O)[O-] TS71215 [0,2,0,0,0,0|2,0,0]=4 2303 B11R1.53 CSc1c(cccn1)C(=O)O TS02456 [0,2,0,0,0,0|1,0,0]=3 2304 B11R1.53 CSc1ccccc1C(=O)O TS44885 [0,2,0,0,0,0|2,0,0]=4 2305 B11R1.53 c1cc(c(nc1)C#N)C(=O)N TS07303 [0,2,0,0,0,0|0,0,0]=2 2306 B11R1.53 c1cc(c(nc1)C#N)C(=O)O TS40599 [0,2,0,0,0,0|1,0,0]=3 2307 B11R1.53 c1cc(c(nc1)C#N)[N+](=O)[O-] TS23002 [0,2,0,0,0,0|2,0,0]=4 2308 B11R1.53 c1cc(c(nc1)C(=O)N)C#N TS07306 [0,2,0,0,0,0|2,0,0]=4 2309 B11R1.53 c1cc(c(nc1)C=O)[N+](=O)[O-] TS90026 [0,2,0,0,0,0|2,0,0]=4 2310 B11R1.53 c1cc(c(nc1)NN)[N+](=O)[O-] TS41337 [0,2,0,0,0,0|2,0,0]=4 2311 B11R1.53 c1cc(c(nc1)SCl)[N+](=O)[O-] TS02856 [0,2,0,0,0,0|2,0,0]=4 2312 B11R1.53 c1ccc(c(c1)C#N)C(=O)Cl TS42961 [0,2,0,0,0,0|2,0,0]=4 2313 B11R1.53 c1ccc(c(c1)C#N)C(=O)N TS07196 [0,2,0,0,0,0|1,0,0]=3 2314 B11R1.53 c1ccc(c(c1)C#N)C(=O)O TS55301 [0,2,0,0,0,0|2,0,0]=4 2315 B11R1.53 c1ccc(c(c1)C(=O)O)I=O TS29988 [0,2,0,0,0,0|2,0,0]=4 2316 B11R1.53 c1ccc(c(c1)C(=O)O)NN TS41107 [0,2,0,0,0,0|2,0,0]=4 2317 B11R1.53 c1ccc(c(c1)C(=O)O)NN TS50819 [0,2,0,0,0,0|2,0,0]=4 2318 B11R1.53 c1ccc(c(c1)C(=O)O)[Hg]O TS78416 [0,2,0,0,0,0|2,0,0]=4 2319 B11R1.53 c1ccc(c(c1)C=O)C(=O)O TS07648 [0,2,0,0,0,0|2,0,0]=4 2320 B11R1.53 c1ccc(c(c1)CBr)C(=O)Br TS31288 [0,2,0,0,0,0|2,0,0]=4 2321 B11R1.53 c1ccc(c(c1)CBr)C(=O)O TS44633 [0,2,0,0,0,0|2,0,0]=4 2322 B11R1.53 c1ccc(c(c1)CCl)C(=O)Cl TS50845 [0,2,0,0,0,0|2,0,0]=4 2323 B11R1.53 c1ccc(c(c1)CCl)C(=O)O TS47087 [0,2,0,0,0,0|2,0,0]=4 2324 B11R1.53 c1cncc(c1C=O)[N+](=O)[O-] TS41080 [0,2,0,0,0,0|2,0,0]=4 2325 B11R1.53 c1cncc(c1CO)C(=O)O TS10288 [0,2,0,0,0,0|1,0,0]=3 2326 B11R1.53 c1cncc(c1NN)[N+](=O)[O-] TS16673 [0,2,0,0,0,0|2,0,0]=4 2327 B11R1.156 CC(=O)c1c(cccc1Cl)Cl TS50844 [0,2,0,0,0,0|2,0,0]=4 2328 B11R1.156 CC(=O)c1c(cccc1Cl)F TS45556 [0,2,0,0,0,0|2,0,0]=4 2329 B11R1.156 CC(=O)c1c(cccc1F)F TS34647 [0,2,0,0,0,0|2,0,0]=4 2330 B11R1.156 CC(=O)c1c(cccc1F)O TS41346 [0,2,0,0,0,0|2,0,0]=4 2331 B11R1.156 CC(=O)c1c(cccc1O)O TS10125 [0,2,0,0,0,0|2,0,0]=4 2332 B11R1.156 CC(=O)c1c(ccnc1Cl)I TS34356 [0,2,0,0,0,0|1,0,0]=3 2333 B11R1.156 Cc1c(c(ccn1)N)[N+](=O)[O-] TS10302 [0,2,0,0,0,0|2,0,0]=4 2334 B11R1.156 Cc1c(c(ncn1)C)C(=O)O TS02937 [0,2,0,0,0,0|2,0,0]=4 2335 B11R1.156 Cc1cccc(c1C(=N)N)C TS40671 [0,2,0,0,0,0|2,0,0]=4 2336 B11R1.156 Cc1cccc(c1C(=O)C)C TS07473 [0,2,0,0,0,0|2,0,0]=4 2337 B11R1.156 Cc1cccc(c1C(=O)N)Cl TS12721 [0,2,0,0,0,0|1,0,0]=3 2338 B11R1.156 Cc1cccc(c1C(=O)O)Br TS08368 [0,2,0,0,0,0|2,0,0]=4 2339 B11R1.156 Cc1cccc(c1C(=O)O)C TS47324 [0,2,0,0,0,0|2,0,0]=4 2340 B11R1.156 Cc1cccc(c1C(=O)O)Cl TS00931 [0,2,0,0,0,0|2,0,0]=4 2341 B11R1.156 Cc1cccc(c1C(=O)O)F TS55367 [0,2,0,0,0,0|2,0,0]=4 2342 B11R1.156 Cc1cccc(c1C(=O)O)N TS65371 [0,2,0,0,0,0|2,0,0]=4 2343 B11R1.156 Cc1cccc(c1C(=O)O)O TS09305 [0,2,0,0,0,0|2,0,0]=4 2344 B11R1.156 Cc1ccnc(c1C(=O)O)C TS00645 [0,2,0,0,0,0|1,0,0]=3 2345 B11R1.156 Cc1ccnc(c1C(=O)O)C TS15873 [0,2,0,0,0,0|1,0,0]=3 2346 B11R1.156 Cc1ccnc(c1C(=O)O)N TS41117 [0,2,0,0,0,0|1,0,0]=3 2347 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])Br TS22159 [0,2,0,0,0,0|2,0,0]=4 2348 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])Cl TS55228 [0,2,0,0,0,0|2,0,0]=4 2349 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])F TS08403 [0,2,0,0,0,0|2,0,0]=4 2350 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])N TS47408 [0,2,0,0,0,0|2,0,0]=4 2351 B11R1.156 Cc1ccnc(c1[N+](=O)[O-])O TS55392 [0,2,0,0,0,0|2,0,0]=4 2352 B11R1.156 c1cc(c(c(c1)Br)C(=O)Cl)Cl TS28543 [0,2,0,0,0,0|2,0,0]=4 2353 B11R1.156 c1cc(c(c(c1)Br)C(=O)Cl)F TS26103 [0,2,0,0,0,0|2,0,0]=4 2354 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Br TS54283 [0,2,0,0,0,0|2,0,0]=4 2355 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl TS55141 [0,2,0,0,0,0|2,0,0]=4 2356 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F TS55145 [0,2,0,0,0,0|2,0,0]=4 2357 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N TS44776 [0,2,0,0,0,0|2,0,0]=4 2358 B11R1.156 c1cc(c(c(c1)Cl)C(=N)N)Cl TS24061 [0,2,0,0,0,0|2,0,0]=4 2359 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl TS20794 [0,2,0,0,0,0|2,0,0]=4 2360 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)F TS17603 [0,2,0,0,0,0|2,0,0]=4 2361 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)Cl TS16283 [0,2,0,0,0,0|1,0,0]=3 2362 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)F TS45696 [0,2,0,0,0,0|1,0,0]=3 2363 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl TS47298 [0,2,0,0,0,0|2,0,0]=4 2364 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)F TS45862 [0,2,0,0,0,0|2,0,0]=4 2365 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N TS00802 [0,2,0,0,0,0|2,0,0]=4 2366 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O TS01777 [0,2,0,0,0,0|2,0,0]=4 2367 B11R1.156 c1cc(c(c(c1)F)C(=N)N)F TS17574 [0,2,0,0,0,0|2,0,0]=4 2368 B11R1.156 c1cc(c(c(c1)F)C(=O)Cl)F TS34654 [0,2,0,0,0,0|2,0,0]=4 2369 B11R1.156 c1cc(c(c(c1)F)C(=O)N)F TS41746 [0,2,0,0,0,0|1,0,0]=3 2370 B11R1.156 c1cc(c(c(c1)F)C(=O)N)N TS10395 [0,2,0,0,0,0|1,0,0]=3 2371 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F TS34651 [0,2,0,0,0,0|2,0,0]=4 2372 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N TS08956 [0,2,0,0,0,0|2,0,0]=4 2373 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O TS55362 [0,2,0,0,0,0|2,0,0]=4 2374 B11R1.156 c1cc(c(c(c1)F)C(=O)[O-])F TS14504 [0,2,0,0,0,0|2,0,0]=4 2375 B11R1.156 c1cc(c(c(c1)I)C(=O)Cl)F TS65423 [0,2,0,0,0,0|2,0,0]=4 2376 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F TS73457 [0,2,0,0,0,0|2,0,0]=4 2377 B11R1.156 c1cc(c(c(c1)O)C(=O)N)O TS41257 [0,2,0,0,0,0|1,0,0]=3 2378 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O TS10390 [0,2,0,0,0,0|2,0,0]=4 2379 B11R1.156 c1cnc(c(c1Br)[N+](=O)[O-])Br TS34370 [0,2,0,0,0,0|2,0,0]=4 2380 B11R1.156 c1cnc(c(c1Br)[N+](=O)[O-])N TS91716 [0,2,0,0,0,0|2,0,0]=4 2381 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl TS47215 [0,2,0,0,0,0|1,0,0]=3 2382 B11R1.156 c1cnc(c(c1Cl)[N+](=O)[O-])Cl TS89264 [0,2,0,0,0,0|2,0,0]=4 2383 B11R1.156 c1cnc(c(c1Cl)[N+](=O)[O-])N TS47396 [0,2,0,0,0,0|2,0,0]=4 2384 B11R1.156 c1cnc(c(c1Cl)[N+](=O)[O-])O TS03045 [0,2,0,0,0,0|2,0,0]=4 2385 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl TS34657 [0,2,0,0,0,0|1,0,0]=3 2386 B11R1.156 c1cnc(c(c1I)C(=O)O)F TS08419 [0,2,0,0,0,0|1,0,0]=3 2387 B11R1.156 c1cnc(c(c1N)C(=O)O)Cl TS90500 [0,2,0,0,0,0|1,0,0]=3 2388 B11R1.156 c1cnc(c(c1N)[N+](=O)[O-])Br TS90446 [0,2,0,0,0,0|2,0,0]=4 2389 B11R1.156 c1cnc(c(c1N)[N+](=O)[O-])Cl TS55208 [0,2,0,0,0,0|2,0,0]=4 2390 B11R1.156 c1cnc(c(c1N)[N+](=O)[O-])O TS70893 [0,2,0,0,0,0|2,0,0]=4 2391 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])Cl TS45857 [0,2,0,0,0,0|2,0,0]=4 2392 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])O TS47223 [0,2,0,0,0,0|2,0,0]=4 2393 B11R1.156 c1nc(c(c(n1)Cl)C(=O)O)Cl TS85381 [0,2,0,0,0,0|2,0,0]=4 2394 B11R1.159 CC(=O)c1cccc(c1Cl)Cl TS50849 [0,2,0,0,0,0|2,0,0]=4 2395 B11R1.159 CC(=O)c1cccc(c1F)Br TS08677 [0,2,0,0,0,0|2,0,0]=4 2396 B11R1.159 CC(=O)c1cccc(c1F)F TS10653 [0,2,0,0,0,0|2,0,0]=4 2397 B11R1.159 CC(=O)c1cccc(c1N)O TS41015 [0,2,0,0,0,0|2,0,0]=4 2398 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [0,2,0,0,0,0|2,0,0]=4 2399 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [0,2,0,0,0,0|2,0,0]=4 2400 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [0,2,0,0,0,0|2,0,0]=4 2401 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [0,2,0,0,0,0|2,0,0]=4 2402 B11R1.159 Cc1c(cccc1Br)C(=O)O TS65906 [0,2,0,0,0,0|2,0,0]=4 2403 B11R1.159 Cc1c(cccc1Cl)C(=O)O TS12927 [0,2,0,0,0,0|2,0,0]=4 2404 B11R1.159 Cc1c(cccc1F)C(=O)O TS70571 [0,2,0,0,0,0|2,0,0]=4 2405 B11R1.159 Cc1c(cccc1I)C(=O)O TS29741 [0,2,0,0,0,0|2,0,0]=4 2406 B11R1.159 Cc1c(cccc1N)C(=O)O TS22768 [0,2,0,0,0,0|2,0,0]=4 2407 B11R1.159 Cc1c(cccc1O)C(=O)O TS02787 [0,2,0,0,0,0|2,0,0]=4 2408 B11R1.159 Cc1cccc(c1Br)C(=O)O TS08307 [0,2,0,0,0,0|2,0,0]=4 2409 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [0,2,0,0,0,0|2,0,0]=4 2410 B11R1.159 Cc1cccc(c1C)C(=O)Cl TS12620 [0,2,0,0,0,0|2,0,0]=4 2411 B11R1.159 Cc1cccc(c1C)C(=O)N TS40746 [0,2,0,0,0,0|1,0,0]=3 2412 B11R1.159 Cc1cccc(c1C)C(=O)O TS47166 [0,2,0,0,0,0|2,0,0]=4 2413 B11R1.159 Cc1cccc(c1Cl)C(=O)O TS55200 [0,2,0,0,0,0|2,0,0]=4 2414 B11R1.159 Cc1cccc(c1F)C(=O)N TS10309 [0,2,0,0,0,0|1,0,0]=3 2415 B11R1.159 Cc1cccc(c1F)C(=O)O TS08400 [0,2,0,0,0,0|2,0,0]=4 2416 B11R1.159 Cc1cccc(c1I)C(=O)O TS29735 [0,2,0,0,0,0|2,0,0]=4 2417 B11R1.159 Cc1cccc(c1N)C(=O)O TS47376 [0,2,0,0,0,0|2,0,0]=4 2418 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [0,2,0,0,0,0|2,0,0]=4 2419 B11R1.159 Cc1cccc(c1O)C(=O)[O-] TS13445 [0,2,0,0,0,0|2,0,0]=4 2420 B11R1.159 Cn1cccc(c1=O)C(=O)O TS86053 [0,2,0,0,0,0|1,0,1]=4 2421 B11R1.159 c1c(c(c(cn1)Br)Cl)[N+](=O)[O-] TS65914 [0,2,0,0,0,0|2,0,0]=4 2422 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O TS22160 [0,2,0,0,0,0|1,0,0]=3 2423 B11R1.159 c1c(c(c(cn1)Br)N)[N+](=O)[O-] TS22315 [0,2,0,0,0,0|2,0,0]=4 2424 B11R1.159 c1c(c(c(cn1)Cl)Br)[N+](=O)[O-] TS86719 [0,2,0,0,0,0|2,0,0]=4 2425 B11R1.159 c1c(c(c(cn1)Cl)Cl)C(=O)O TS51385 [0,2,0,0,0,0|1,0,0]=3 2426 B11R1.159 c1c(c(c(cn1)Cl)Cl)[N+](=O)[O-] TS90858 [0,2,0,0,0,0|2,0,0]=4 2427 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O TS13257 [0,2,0,0,0,0|1,0,0]=3 2428 B11R1.159 c1c(c(c(cn1)Cl)N)[N+](=O)[O-] TS86404 [0,2,0,0,0,0|2,0,0]=4 2429 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)O TS25786 [0,2,0,0,0,0|2,0,0]=4 2430 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O TS16864 [0,2,0,0,0,0|2,0,0]=4 2431 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O TS08283 [0,2,0,0,0,0|2,0,0]=4 2432 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)O TS65903 [0,2,0,0,0,0|2,0,0]=4 2433 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=N)N TS24064 [0,2,0,0,0,0|2,0,0]=4 2434 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl TS07690 [0,2,0,0,0,0|2,0,0]=4 2435 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)N TS16281 [0,2,0,0,0,0|1,0,0]=3 2436 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O TS17215 [0,2,0,0,0,0|2,0,0]=4 2437 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=S)N TS20103 [0,2,0,0,0,0|1,1,0]=4 2438 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl TS17599 [0,2,0,0,0,0|2,0,0]=4 2439 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)F TS13935 [0,2,0,0,0,0|2,0,0]=4 2440 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)N TS13405 [0,2,0,0,0,0|1,0,0]=3 2441 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O TS55323 [0,2,0,0,0,0|2,0,0]=4 2442 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O TS02713 [0,2,0,0,0,0|2,0,0]=4 2443 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)O TS13252 [0,2,0,0,0,0|2,0,0]=4 2444 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O TS08298 [0,2,0,0,0,0|2,0,0]=4 2445 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O TS08825 [0,2,0,0,0,0|2,0,0]=4 2446 B11R1.159 c1cc(c(c(c1)F)F)C(=O)Cl TS13934 [0,2,0,0,0,0|2,0,0]=4 2447 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N TS41747 [0,2,0,0,0,0|1,0,0]=3 2448 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O TS41848 [0,2,0,0,0,0|2,0,0]=4 2449 B11R1.159 c1cc(c(c(c1)F)I)C(=O)O TS70565 [0,2,0,0,0,0|2,0,0]=4 2450 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O TS47360 [0,2,0,0,0,0|2,0,0]=4 2451 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O TS59690 [0,2,0,0,0,0|2,0,0]=4 2452 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O TS09287 [0,2,0,0,0,0|2,0,0]=4 2453 B11R1.159 c1cc(c(c(c1)I)N)C(=O)O TS68678 [0,2,0,0,0,0|2,0,0]=4 2454 B11R1.159 c1cc(c(c(c1)N)Cl)C(=O)O TS02627 [0,2,0,0,0,0|2,0,0]=4 2455 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O TS08861 [0,2,0,0,0,0|2,0,0]=4 2456 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N TS65011 [0,2,0,0,0,0|1,0,0]=3 2457 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O TS39705 [0,2,0,0,0,0|2,0,0]=4 2458 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS50976 [0,2,0,0,0,0|2,0,0]=4 2459 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O TS65023 [0,2,0,0,0,0|2,0,0]=4 2460 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O TS47161 [0,2,0,0,0,0|2,0,0]=4 2461 B11R1.159 c1cnc(c(c1C(=O)N)N)Cl TS13081 [0,2,0,0,0,0|2,0,0]=4 2462 B11R1.167 CC(=O)c1cc(ccc1Br)Br TS31290 [0,2,0,0,0,0|2,0,0]=4 2463 B11R1.167 CC(=O)c1cc(ccc1Br)F TS08814 [0,2,0,0,0,0|2,0,0]=4 2464 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl TS47257 [0,2,0,0,0,0|2,0,0]=4 2465 B11R1.167 CC(=O)c1cc(ccc1Cl)F TS13263 [0,2,0,0,0,0|2,0,0]=4 2466 B11R1.167 CC(=O)c1cc(ccc1Cl)N TS12725 [0,2,0,0,0,0|2,0,0]=4 2467 B11R1.167 CC(=O)c1cc(ccc1F)Br TS08178 [0,2,0,0,0,0|2,0,0]=4 2468 B11R1.167 CC(=O)c1cc(ccc1F)F TS00671 [0,2,0,0,0,0|2,0,0]=4 2469 B11R1.167 CC(=O)c1cc(ccc1F)O TS41349 [0,2,0,0,0,0|2,0,0]=4 2470 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [0,2,0,0,0,0|2,0,0]=4 2471 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [0,2,0,0,0,0|2,0,0]=4 2472 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [0,2,0,0,0,0|2,0,0]=4 2473 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [0,2,0,0,0,0|2,0,0]=4 2474 B11R1.167 CC(=O)c1cc(cnc1Cl)Br TS89970 [0,2,0,0,0,0|1,0,0]=3 2475 B11R1.167 CC(=O)c1cc(cnc1F)Br TS49340 [0,2,0,0,0,0|1,0,0]=3 2476 B11R1.167 Cc1c(cc(cn1)Br)[N+](=O)[O-] TS60075 [0,2,0,0,0,0|2,0,0]=4 2477 B11R1.167 Cc1c(cc(cn1)Cl)[N+](=O)[O-] TS85840 [0,2,0,0,0,0|2,0,0]=4 2478 B11R1.167 Cc1c(cc(cn1)I)[N+](=O)[O-] TS88982 [0,2,0,0,0,0|2,0,0]=4 2479 B11R1.167 Cc1cc(c(nc1)Br)[N+](=O)[O-] TS08356 [0,2,0,0,0,0|2,0,0]=4 2480 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O TS13067 [0,2,0,0,0,0|1,0,0]=3 2481 B11R1.167 Cc1cc(c(nc1)Cl)[N+](=O)[O-] TS55205 [0,2,0,0,0,0|2,0,0]=4 2482 B11R1.167 Cc1cc(c(nc1)F)[N+](=O)[O-] TS10649 [0,2,0,0,0,0|2,0,0]=4 2483 B11R1.167 Cc1cc(c(nc1)N)C(=O)O TS47442 [0,2,0,0,0,0|1,0,0]=3 2484 B11R1.167 Cc1cc(c(nc1)N)[N+](=O)[O-] TS09107 [0,2,0,0,0,0|2,0,0]=4 2485 B11R1.167 Cc1cc(c(nc1)O)[N+](=O)[O-] TS16695 [0,2,0,0,0,0|2,0,0]=4 2486 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [0,2,0,0,0,0|2,0,0]=4 2487 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [0,2,0,0,0,0|2,0,0]=4 2488 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F TS13266 [0,2,0,0,0,0|2,0,0]=4 2489 B11R1.167 Cc1ccc(c(c1)C(=O)N)N TS09882 [0,2,0,0,0,0|1,0,0]=3 2490 B11R1.167 Cc1ccc(c(c1)C(=O)N)O TS41004 [0,2,0,0,0,0|1,0,0]=3 2491 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br TS44641 [0,2,0,0,0,0|2,0,0]=4 2492 B11R1.167 Cc1ccc(c(c1)C(=O)O)C TS39633 [0,2,0,0,0,0|2,0,0]=4 2493 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl TS00913 [0,2,0,0,0,0|2,0,0]=4 2494 B11R1.167 Cc1ccc(c(c1)C(=O)O)F TS01007 [0,2,0,0,0,0|2,0,0]=4 2495 B11R1.167 Cc1ccc(c(c1)C(=O)O)I TS01076 [0,2,0,0,0,0|2,0,0]=4 2496 B11R1.167 Cc1ccc(c(c1)C(=O)O)N TS93654 [0,2,0,0,0,0|2,0,0]=4 2497 B11R1.167 Cc1ccc(c(c1)C(=O)O)O TS39669 [0,2,0,0,0,0|2,0,0]=4 2498 B11R1.167 Cc1ccc(cc1C(=O)Cl)F TS45555 [0,2,0,0,0,0|2,0,0]=4 2499 B11R1.167 Cc1ccc(cc1C(=O)N)F TS10308 [0,2,0,0,0,0|1,0,0]=3 2500 B11R1.167 Cc1ccc(cc1C(=O)O)Br TS09795 [0,2,0,0,0,0|2,0,0]=4 2501 B11R1.167 Cc1ccc(cc1C(=O)O)Cl TS59724 [0,2,0,0,0,0|2,0,0]=4 2502 B11R1.167 Cc1ccc(cc1C(=O)O)F TS71548 [0,2,0,0,0,0|2,0,0]=4 2503 B11R1.167 Cc1ccc(cc1C(=O)O)I TS71573 [0,2,0,0,0,0|2,0,0]=4 2504 B11R1.167 Cc1ccc(cc1C(=O)O)N TS10034 [0,2,0,0,0,0|2,0,0]=4 2505 B11R1.167 Cc1ccc(cc1C(=O)O)O TS08754 [0,2,0,0,0,0|2,0,0]=4 2506 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O TS38580 [0,2,0,0,0,0|2,0,0]=4 2507 B11R1.167 c1c(c(nnc1Cl)Cl)C(=O)O TS59599 [0,2,0,0,0,0|2,0,0]=4 2508 B11R1.167 c1c(cnc(c1C(=O)Cl)Cl)Cl TS43890 [0,2,0,0,0,0|1,0,0]=3 2509 B11R1.167 c1c(cnc(c1C(=O)N)Cl)Cl TS00662 [0,2,0,0,0,0|0,0,0]=2 2510 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br TS59583 [0,2,0,0,0,0|1,0,0]=3 2511 B11R1.167 c1c(cnc(c1C(=O)O)Br)Cl TS55120 [0,2,0,0,0,0|1,0,0]=3 2512 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br TS16986 [0,2,0,0,0,0|1,0,0]=3 2513 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl TS00663 [0,2,0,0,0,0|1,0,0]=3 2514 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F TS55246 [0,2,0,0,0,0|1,0,0]=3 2515 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N TS13259 [0,2,0,0,0,0|1,0,0]=3 2516 B11R1.167 c1c(cnc(c1C(=O)O)F)Br TS71423 [0,2,0,0,0,0|1,0,0]=3 2517 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl TS09844 [0,2,0,0,0,0|1,0,0]=3 2518 B11R1.167 c1c(cnc(c1C(=O)O)F)F TS42019 [0,2,0,0,0,0|1,0,0]=3 2519 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS47432 [0,2,0,0,0,0|1,0,0]=3 2520 B11R1.167 c1c(cnc(c1C(=O)O)N)Br TS86237 [0,2,0,0,0,0|1,0,0]=3 2521 B11R1.167 c1c(cnc(c1C(=O)O)O)Br TS09780 [0,2,0,0,0,0|1,0,0]=3 2522 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl TS71493 [0,2,0,0,0,0|1,0,0]=3 2523 B11R1.167 c1c(cnc(c1C(=O)O)O)F TS10827 [0,2,0,0,0,0|1,0,0]=3 2524 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Br)Br TS87037 [0,2,0,0,0,0|2,0,0]=4 2525 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Br)Cl TS65030 [0,2,0,0,0,0|2,0,0]=4 2526 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Br)F TS08339 [0,2,0,0,0,0|2,0,0]=4 2527 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Cl)Br TS16978 [0,2,0,0,0,0|2,0,0]=4 2528 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Cl)Cl TS47255 [0,2,0,0,0,0|2,0,0]=4 2529 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Cl)F TS55239 [0,2,0,0,0,0|2,0,0]=4 2530 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Cl)I TS89512 [0,2,0,0,0,0|2,0,0]=4 2531 B11R1.167 c1c(cnc(c1[N+](=O)[O-])F)Cl TS09835 [0,2,0,0,0,0|2,0,0]=4 2532 B11R1.167 c1c(cnc(c1[N+](=O)[O-])N)Br TS00770 [0,2,0,0,0,0|2,0,0]=4 2533 B11R1.167 c1c(cnc(c1[N+](=O)[O-])N)Br TS22337 [0,2,0,0,0,0|2,0,0]=4 2534 B11R1.167 c1c(cnc(c1[N+](=O)[O-])N)Cl TS00773 [0,2,0,0,0,0|2,0,0]=4 2535 B11R1.167 c1c(cnc(c1[N+](=O)[O-])N)F TS00721 [0,2,0,0,0,0|2,0,0]=4 2536 B11R1.167 c1c(cnc(c1[N+](=O)[O-])N)I TS00722 [0,2,0,0,0,0|2,0,0]=4 2537 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Br TS85453 [0,2,0,0,0,0|2,0,0]=4 2538 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)Cl TS71490 [0,2,0,0,0,0|2,0,0]=4 2539 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)F TS71534 [0,2,0,0,0,0|2,0,0]=4 2540 B11R1.167 c1c(cnc(c1[N+](=O)[O-])O)I TS87409 [0,2,0,0,0,0|2,0,0]=4 2541 B11R1.167 c1c(cnc(c1[N+](=O)[O-])S)Br TS25679 [0,2,0,0,0,0|2,0,0]=4 2542 B11R1.167 c1c(nc(c(n1)N)C(=O)N)Br TS46443 [0,2,0,0,0,0|1,0,0]=3 2543 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Br TS02658 [0,2,0,0,0,0|2,0,0]=4 2544 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Cl TS60002 [0,2,0,0,0,0|2,0,0]=4 2545 B11R1.167 c1c(nc(c(n1)N)C(=O)O)I TS30111 [0,2,0,0,0,0|2,0,0]=4 2546 B11R1.167 c1cc(c(cc1Br)C(=O)Cl)Cl TS28542 [0,2,0,0,0,0|2,0,0]=4 2547 B11R1.167 c1cc(c(cc1Br)C(=O)N)O TS09821 [0,2,0,0,0,0|1,0,0]=3 2548 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br TS47248 [0,2,0,0,0,0|2,0,0]=4 2549 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl TS93544 [0,2,0,0,0,0|2,0,0]=4 2550 B11R1.167 c1cc(c(cc1Br)C(=O)O)F TS71420 [0,2,0,0,0,0|2,0,0]=4 2551 B11R1.167 c1cc(c(cc1Br)C(=O)O)I TS09784 [0,2,0,0,0,0|2,0,0]=4 2552 B11R1.167 c1cc(c(cc1Br)C(=O)O)N TS44778 [0,2,0,0,0,0|2,0,0]=4 2553 B11R1.167 c1cc(c(cc1Br)C(=O)O)O TS22157 [0,2,0,0,0,0|2,0,0]=4 2554 B11R1.167 c1cc(c(cc1Br)C(=O)O)S TS25340 [0,2,0,0,0,0|2,0,0]=4 2555 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)Cl TS00659 [0,2,0,0,0,0|2,0,0]=4 2556 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F TS17600 [0,2,0,0,0,0|2,0,0]=4 2557 B11R1.167 c1cc(c(cc1Cl)C(=O)N)F TS13401 [0,2,0,0,0,0|1,0,0]=3 2558 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N TS45231 [0,2,0,0,0,0|1,0,0]=3 2559 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O TS39772 [0,2,0,0,0,0|1,0,0]=3 2560 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br TS55118 [0,2,0,0,0,0|2,0,0]=4 2561 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl TS17212 [0,2,0,0,0,0|2,0,0]=4 2562 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F TS09840 [0,2,0,0,0,0|2,0,0]=4 2563 B11R1.167 c1cc(c(cc1Cl)C(=O)O)I TS07824 [0,2,0,0,0,0|2,0,0]=4 2564 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS00775 [0,2,0,0,0,0|2,0,0]=4 2565 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N TS43384 [0,2,0,0,0,0|2,0,0]=4 2566 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O TS13255 [0,2,0,0,0,0|2,0,0]=4 2567 B11R1.167 c1cc(c(cc1Cl)C(=O)O)S TS50836 [0,2,0,0,0,0|2,0,0]=4 2568 B11R1.167 c1cc(c(cc1F)C(=N)N)F TS17576 [0,2,0,0,0,0|2,0,0]=4 2569 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Br TS26098 [0,2,0,0,0,0|2,0,0]=4 2570 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl TS17597 [0,2,0,0,0,0|2,0,0]=4 2571 B11R1.167 c1cc(c(cc1F)C(=O)N)Cl TS13404 [0,2,0,0,0,0|1,0,0]=3 2572 B11R1.167 c1cc(c(cc1F)C(=O)N)F TS41741 [0,2,0,0,0,0|1,0,0]=3 2573 B11R1.167 c1cc(c(cc1F)C(=O)N)N TS00785 [0,2,0,0,0,0|1,0,0]=3 2574 B11R1.167 c1cc(c(cc1F)C(=O)O)Br TS60266 [0,2,0,0,0,0|2,0,0]=4 2575 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl TS09282 [0,2,0,0,0,0|2,0,0]=4 2576 B11R1.167 c1cc(c(cc1F)C(=O)O)F TS00676 [0,2,0,0,0,0|2,0,0]=4 2577 B11R1.167 c1cc(c(cc1F)C(=O)O)I TS01073 [0,2,0,0,0,0|2,0,0]=4 2578 B11R1.167 c1cc(c(cc1F)C(=O)O)N TS08951 [0,2,0,0,0,0|2,0,0]=4 2579 B11R1.167 c1cc(c(cc1F)C(=O)O)O TS10648 [0,2,0,0,0,0|2,0,0]=4 2580 B11R1.167 c1cc(c(cc1F)C(=O)O)S TS13136 [0,2,0,0,0,0|2,0,0]=4 2581 B11R1.167 c1cc(c(cc1I)C(=O)O)Br TS77657 [0,2,0,0,0,0|2,0,0]=4 2582 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl TS65397 [0,2,0,0,0,0|2,0,0]=4 2583 B11R1.167 c1cc(c(cc1I)C(=O)O)F TS01001 [0,2,0,0,0,0|2,0,0]=4 2584 B11R1.167 c1cc(c(cc1I)C(=O)O)I TS66956 [0,2,0,0,0,0|2,0,0]=4 2585 B11R1.167 c1cc(c(cc1I)C(=O)O)N TS68682 [0,2,0,0,0,0|2,0,0]=4 2586 B11R1.167 c1cc(c(cc1I)C(=O)O)O TS29987 [0,2,0,0,0,0|2,0,0]=4 2587 B11R1.167 c1cc(c(cc1N)C(=O)O)Br TS71352 [0,2,0,0,0,0|2,0,0]=4 2588 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS13075 [0,2,0,0,0,0|2,0,0]=4 2589 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl TS30728 [0,2,0,0,0,0|2,0,0]=4 2590 B11R1.167 c1cc(c(cc1N)C(=O)O)N TS41122 [0,2,0,0,0,0|2,0,0]=4 2591 B11R1.167 c1cc(c(cc1N)C(=O)O)O TS71390 [0,2,0,0,0,0|2,0,0]=4 2592 B11R1.167 c1cc(c(cc1N)C(=O)[O-])O TS45912 [0,2,0,0,0,0|2,0,0]=4 2593 B11R1.167 c1cc(c(cc1O)C(=O)O)Br TS22158 [0,2,0,0,0,0|2,0,0]=4 2594 B11R1.167 c1cc(c(cc1O)C(=O)O)F TS00998 [0,2,0,0,0,0|2,0,0]=4 2595 B11R1.167 c1cc(c(cc1O)C(=O)O)I TS29985 [0,2,0,0,0,0|2,0,0]=4 2596 B11R1.167 c1cc(c(cc1O)C(=O)O)N TS03332 [0,2,0,0,0,0|2,0,0]=4 2597 B11R1.167 c1cc(c(cc1O)C(=O)O)O TS39630 [0,2,0,0,0,0|2,0,0]=4 2598 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O TS13772 [0,2,0,0,0,0|2,0,0]=4 2599 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl TS87041 [0,2,0,0,0,0|2,0,0]=4 2600 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br TS02193 [0,2,0,0,0,0|2,0,0]=4 2601 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl TS65783 [0,2,0,0,0,0|2,0,0]=4 2602 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F TS09350 [0,2,0,0,0,0|2,0,0]=4 2603 B11R1.74 CC(=O)c1cc(cc(c1)F)F TS08667 [0,2,0,0,0,0|2,0,0]=4 2604 B11R1.74 CC(=O)c1cc(cc(c1)O)O TS39572 [0,2,0,0,0,0|2,0,0]=4 2605 B11R1.74 Cc1cc(cc(c1)C(=N)N)C TS40672 [0,2,0,0,0,0|2,0,0]=4 2606 B11R1.74 Cc1cc(cc(c1)C(=O)C)C TS65809 [0,2,0,0,0,0|2,0,0]=4 2607 B11R1.74 Cc1cc(cc(c1)C(=O)Cl)C TS65812 [0,2,0,0,0,0|2,0,0]=4 2608 B11R1.74 Cc1cc(cc(c1)C(=O)O)C TS16729 [0,2,0,0,0,0|2,0,0]=4 2609 B11R1.74 Cc1cc(cc(c1)F)C(=O)O TS70586 [0,2,0,0,0,0|2,0,0]=4 2610 B11R1.74 Cc1cc(cc(c1)N)C(=O)O TS65474 [0,2,0,0,0,0|2,0,0]=4 2611 B11R1.74 Cc1cc(oc(=O)c1)C(=O)N TS41250 [0,2,0,0,0,0|2,0,0]=4 2612 B11R1.74 c1c(cc(cc1Br)Br)C(=O)N TS54196 [0,2,0,0,0,0|1,0,0]=3 2613 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O TS02575 [0,2,0,0,0,0|2,0,0]=4 2614 B11R1.74 c1c(cc(cc1Br)I)C(=O)O TS09339 [0,2,0,0,0,0|2,0,0]=4 2615 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O TS32930 [0,2,0,0,0,0|2,0,0]=4 2616 B11R1.74 c1c(cc(cc1Cl)Cl)C(=N)N TS24063 [0,2,0,0,0,0|2,0,0]=4 2617 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)Cl TS20795 [0,2,0,0,0,0|2,0,0]=4 2618 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)N TS16277 [0,2,0,0,0,0|1,0,0]=3 2619 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O TS00127 [0,2,0,0,0,0|2,0,0]=4 2620 B11R1.74 c1c(cc(cc1Cl)Cl)C(=S)N TS20104 [0,2,0,0,0,0|1,1,0]=4 2621 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O TS09359 [0,2,0,0,0,0|2,0,0]=4 2622 B11R1.74 c1c(cc(cc1F)Br)C(=O)Cl TS26100 [0,2,0,0,0,0|2,0,0]=4 2623 B11R1.74 c1c(cc(cc1F)Br)C(=O)O TS65928 [0,2,0,0,0,0|2,0,0]=4 2624 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O TS09353 [0,2,0,0,0,0|2,0,0]=4 2625 B11R1.74 c1c(cc(cc1F)F)C(=N)N TS17573 [0,2,0,0,0,0|2,0,0]=4 2626 B11R1.74 c1c(cc(cc1F)F)C(=O)Cl TS13936 [0,2,0,0,0,0|2,0,0]=4 2627 B11R1.74 c1c(cc(cc1F)F)C(=O)N TS41743 [0,2,0,0,0,0|1,0,0]=3 2628 B11R1.74 c1c(cc(cc1F)F)C(=O)O TS65800 [0,2,0,0,0,0|2,0,0]=4 2629 B11R1.74 c1c(cc(cc1F)F)C(=O)[O-] TS14507 [0,2,0,0,0,0|2,0,0]=4 2630 B11R1.74 c1c(cc(cc1F)I)C(=O)O TS07838 [0,2,0,0,0,0|2,0,0]=4 2631 B11R1.74 c1c(cc(cc1I)I)C(=O)O TS02365 [0,2,0,0,0,0|2,0,0]=4 2632 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O TS22769 [0,2,0,0,0,0|2,0,0]=4 2633 B11R1.74 c1c(cc(cc1N)F)C(=O)N TS02210 [0,2,0,0,0,0|1,0,0]=3 2634 B11R1.74 c1c(cc(cc1N)N)C(=O)O TS00125 [0,2,0,0,0,0|2,0,0]=4 2635 B11R1.74 c1c(cc(cc1N)N)C(=O)O TS23945 [0,2,0,0,0,0|2,0,0]=4 2636 B11R1.74 c1c(cc(cc1O)Cl)C(=O)O TS13254 [0,2,0,0,0,0|2,0,0]=4 2637 B11R1.74 c1c(cc(cc1O)O)C(=O)N TS10292 [0,2,0,0,0,0|1,0,0]=3 2638 B11R1.74 c1c(cc(cc1O)O)C(=O)O TS16724 [0,2,0,0,0,0|2,0,0]=4 2639 B11R1.74 c1c(cc(nc1O)Cl)C(=O)N TS13262 [0,2,0,0,0,0|2,0,0]=4 2640 B11R1.266 B(=O)c1cccc(c1)C(=O)Cl TS43152 [0,2,0,0,0,0|2,0,0]=4 2641 B11R1.266 C#Cc1cccc(c1)C(=O)O TS70561 [0,2,0,0,0,0|2,0,0]=4 2642 B11R1.266 C=Cc1cccc(c1)C(=O)O TS07411 [0,2,0,0,0,0|2,0,0]=4 2643 B11R1.266 CC(=O)c1cccc(c1)C#C TS40169 [0,2,0,0,0,0|2,0,0]=4 2644 B11R1.266 CC(=O)c1cccc(c1)C#N TS65829 [0,2,0,0,0,0|2,0,0]=4 2645 B11R1.266 CC(=O)c1cccc(c1)CCl TS12614 [0,2,0,0,0,0|2,0,0]=4 2646 B11R1.266 CC(=O)c1cccc(c1)OC TS02817 [0,2,0,0,0,0|2,0,0]=4 2647 B11R1.266 CCc1cccc(c1)C(=O)C TS07747 [0,2,0,0,0,0|2,0,0]=4 2648 B11R1.266 CCc1cccc(c1)C(=O)O TS09865 [0,2,0,0,0,0|2,0,0]=4 2649 B11R1.266 CCc1cccc(c1)C(=S)N TS12084 [0,2,0,0,0,0|1,1,0]=4 2650 B11R1.266 CNc1cccc(c1)C(=O)O TS41001 [0,2,0,0,0,0|2,0,0]=4 2651 B11R1.266 CNc1cncc(n1)C(=O)O TS01188 [0,2,0,0,0,0|2,0,0]=4 2652 B11R1.266 COc1cc(ccn1)C(=O)N TS41124 [0,2,0,0,0,0|2,0,0]=4 2653 B11R1.266 COc1cc(cnc1)C(=O)N TS10158 [0,2,0,0,0,0|0,0,0]=2 2654 B11R1.266 COc1cc(cnc1)C(=O)O TS41247 [0,2,0,0,0,0|1,0,0]=3 2655 B11R1.266 COc1cccc(c1)C(=N)N TS02820 [0,2,0,0,0,0|2,0,0]=4 2656 B11R1.266 COc1cccc(c1)C(=O)Cl TS12911 [0,2,0,0,0,0|2,0,0]=4 2657 B11R1.266 COc1cccc(c1)C(=O)N TS10027 [0,2,0,0,0,0|1,0,0]=3 2658 B11R1.266 COc1cccc(c1)C(=O)O TS10134 [0,2,0,0,0,0|2,0,0]=4 2659 B11R1.266 COc1cccc(c1)C(=S)N TS12416 [0,2,0,0,0,0|1,1,0]=4 2660 B11R1.266 COc1cccc(n1)C(=O)N TS41105 [0,2,0,0,0,0|2,0,0]=4 2661 B11R1.266 COc1ccnc(c1)C(=O)N TS41108 [0,2,0,0,0,0|2,0,0]=4 2662 B11R1.266 CSc1cccc(c1)C(=O)O TS65713 [0,2,0,0,0,0|2,0,0]=4 2663 B11R1.266 c1c(cncc1C(=O)O)C#N TS32655 [0,2,0,0,0,0|1,0,0]=3 2664 B11R1.266 c1cc(cc(c1)C(=N)N)C=O TS02777 [0,2,0,0,0,0|2,0,0]=4 2665 B11R1.266 c1cc(cc(c1)C(=N)N)CN TS50062 [0,2,0,0,0,0|2,0,0]=4 2666 B11R1.266 c1cc(cc(c1)C(=O)Cl)C#N TS66019 [0,2,0,0,0,0|2,0,0]=4 2667 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl TS09440 [0,2,0,0,0,0|2,0,0]=4 2668 B11R1.266 c1cc(cc(c1)C(=O)N)C#N TS07199 [0,2,0,0,0,0|1,0,0]=3 2669 B11R1.266 c1cc(cc(c1)C(=O)N)CCl TS02187 [0,2,0,0,0,0|1,0,0]=3 2670 B11R1.266 c1cc(cc(c1)C(=O)O)C#N TS01790 [0,2,0,0,0,0|2,0,0]=4 2671 B11R1.266 c1cc(cc(c1)C(=O)O)C=O TS02778 [0,2,0,0,0,0|2,0,0]=4 2672 B11R1.266 c1cc(cc(c1)C(=O)O)CBr TS09436 [0,2,0,0,0,0|2,0,0]=4 2673 B11R1.266 c1cc(cc(c1)C(=O)O)CCl TS09439 [0,2,0,0,0,0|2,0,0]=4 2674 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02659 [0,2,0,0,0,0|2,0,0]=4 2675 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02660 [0,2,0,0,0,0|2,0,0]=4 2676 B11R1.266 c1cc(cc(c1)C(=O)O)CO TS65706 [0,2,0,0,0,0|2,0,0]=4 2677 B11R1.266 c1cc(cc(c1)N=O)C(=O)N TS40819 [0,2,0,0,0,0|1,0,0]=3 2678 B11R1.266 c1cc(cc(c1)NN)C(=O)O TS10146 [0,2,0,0,0,0|2,0,0]=4 2679 B11R1.266 c1cnc(cc1CO)C(=O)N TS41119 [0,2,0,0,0,0|2,0,0]=4 2680 B9R1.13 c1cc(sc1)CC(=O)N TS37498 [0,0,1,1,0,0|1,0,1]=4 2681 B11R2.10 Cc1[nH]c2c(n1)cccn2 TS05824 [0,0,0,1,0,1|1,0,0]=3 2682 B11R2.10 Cc1[nH]c2ccccc2n1 TS01130 [0,0,0,1,0,1|2,0,0]=4 2683 B11R2.10 Cc1cc2c([nH]1)cccn2 TS05747 [0,0,0,1,0,1|2,0,0]=4 2684 B11R2.10 Cc1cc2ccccc2[nH]1 TS65605 [0,0,0,1,0,1|2,0,0]=4 2685 B11R2.10 Cc1cc2cccnc2[nH]1 TS01126 [0,0,0,1,0,1|1,0,0]=3 2686 B11R2.10 Cc1cc2ccncc2[nH]1 TS05741 [0,0,0,1,0,1|2,0,0]=4 2687 B11R2.10 Cc1cc2cnccc2[nH]1 TS36678 [0,0,0,1,0,1|1,0,0]=3 2688 B11R2.10 c1c2c(ncn1)NC(=O)C2 TS86291 [0,0,0,1,0,1|1,0,0]=3 2689 B11R2.10 c1c2c(ncn1)nc([nH]2)N TS05983 [0,0,0,1,0,1|2,0,0]=4 2690 B11R2.10 c1cc2c([nH]c(=O)[nH]2)nc1 TS46947 [0,0,0,1,0,1|0,0,0]=2 2691 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 TS01627 [0,0,0,1,0,1|0,0,0]=2 2692 B11R2.10 c1cc2c(nc1)CC(=O)N2 TS90280 [0,0,0,1,0,1|1,0,0]=3 2693 B11R2.10 c1cc2c(nc1)NC(=O)C2 TS46802 [0,0,0,1,0,1|0,0,0]=2 2694 B11R2.10 c1cc2c(nc1)nc([nH]2)S TS41027 [0,0,0,1,0,1|0,1,1]=4 2695 B11R2.10 c1cc2c(nc1)nc(o2)S TS10170 [0,0,0,1,0,1|0,1,1]=4 2696 B11R2.10 c1cc2c(nc1)nc(s2)Cl TS45250 [0,0,0,1,0,1|1,0,1]=4 2697 B11R2.10 c1cc2c(nc1)sc(n2)Br TS55180 [0,0,0,1,0,1|1,1,0]=4 2698 B11R2.10 c1cc2c(nc1)sc(n2)N TS41029 [0,0,0,1,0,1|0,1,0]=3 2699 B11R2.10 c1cc2c(nc1)sc(n2)S TS12578 [0,0,0,1,0,1|1,1,0]=4 2700 B11R2.10 c1cc2cc([nH]c2nc1)Br TS18392 [0,0,0,1,0,1|1,0,0]=3 2701 B11R2.10 c1cc2cc([nH]c2nc1)I TS87877 [0,0,0,1,0,1|1,0,0]=3 2702 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [0,0,0,1,0,1|2,0,0]=4 2703 B11R2.10 c1ccc2c(c1)CC(=O)O2 TS36798 [0,0,0,1,0,1|2,0,0]=4 2704 B11R2.10 c1ccc2c(c1)CC(=S)N2 TS07593 [0,0,0,1,0,1|1,1,0]=4 2705 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 TS59941 [0,0,0,1,0,1|1,0,0]=3 2706 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br TS55154 [0,0,0,1,0,1|2,0,0]=4 2707 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl TS10252 [0,0,0,1,0,1|2,0,0]=4 2708 B11R2.10 c1ccc2c(c1)[nH]c(n2)I TS61935 [0,0,0,1,0,1|2,0,0]=4 2709 B11R2.10 c1ccc2c(c1)[nH]c(n2)N TS36756 [0,0,0,1,0,1|2,0,0]=4 2710 B11R2.10 c1ccc2c(c1)[nH]c(n2)O TS55397 [0,0,0,1,0,1|1,0,1]=4 2711 B11R2.10 c1ccc2c(c1)[nH]c(n2)S TS07963 [0,0,0,1,0,1|1,1,0]=4 2712 B11R2.10 c1ccc2c(c1)cc([nH]2)Br TS18166 [0,0,0,1,0,1|2,0,0]=4 2713 B11R2.10 c1ccc2c(c1)cc([nH]2)Cl TS41070 [0,0,0,1,0,1|2,0,0]=4 2714 B11R2.10 c1ccc2c(c1)cc([nH]2)N TS12624 [0,0,0,1,0,1|2,0,0]=4 2715 B11R2.10 c1ccc2c(c1)nc(o2)N TS00367 [0,0,0,1,0,1|1,0,1]=4 2716 B11R2.10 c1ccc2c(c1)nc(s2)N TS47465 [0,0,0,1,0,1|1,1,0]=4 2717 B11R2.10 c1ccc2c(c1)oc(=O)o2 TS06040 [0,0,0,1,0,1|2,0,0]=4 2718 B11R2.10 c1cncc2c1CC(=O)N2 TS87911 [0,0,0,1,0,1|1,0,0]=3 2719 B11R2.10 c1cncc2c1NC(=O)C2 TS87415 [0,0,0,1,0,1|0,0,0]=2 2720 B11R2.10 c1cncc2c1[nH]c(=O)[nH]2 TS05978 [0,0,0,1,0,1|0,0,0]=2 2721 B11R2.10 c1cncc2c1[nH]c(n2)N TS64996 [0,0,0,1,0,1|1,0,0]=3 2722 B11R2.10 c1cncc2c1cc([nH]2)Br TS18401 [0,0,0,1,0,1|2,0,0]=4 2723 B11R2.10 c1cncc2c1nc(s2)N TS91638 [0,0,0,1,0,1|1,0,0]=3 2724 B11R2.10 c1cncc2c1sc(n2)N TS41028 [0,0,0,1,0,1|0,1,0]=3 2725 B11R2.1 Cc1c2c([nH]n1)nccn2 TS89715 [0,1,0,1,0,0|2,0,0]=4 2726 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [0,1,0,1,0,0|2,0,0]=4 2727 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [0,1,0,1,0,0|2,0,0]=4 2728 B11R2.1 Cc1c2cccnc2[nH]n1 TS88546 [0,1,0,1,0,0|1,0,0]=3 2729 B11R2.1 Cc1c2cnccc2[nH]n1 TS88623 [0,1,0,1,0,0|1,0,0]=3 2730 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [0,1,0,1,0,0|2,0,0]=4 2731 B11R2.1 Cc1c[nH]c2c1cccn2 TS05738 [0,1,0,1,0,0|1,0,0]=3 2732 B11R2.1 c1c(c2cncnc2[nH]1)Br TS90274 [0,1,0,1,0,0|2,0,0]=4 2733 B11R2.1 c1c(c2cncnc2[nH]1)Cl TS09672 [0,1,0,1,0,0|2,0,0]=4 2734 B11R2.1 c1c(c2cncnc2[nH]1)I TS88198 [0,1,0,1,0,0|2,0,0]=4 2735 B11R2.1 c1cc2c([nH]nc2Br)nc1 TS91175 [0,1,0,1,0,0|1,0,0]=3 2736 B11R2.1 c1cc2c([nH]nc2I)nc1 TS89610 [0,1,0,1,0,0|1,0,0]=3 2737 B11R2.1 c1cc2c(c[nH]c2nc1)Br TS09471 [0,1,0,1,0,0|1,0,0]=3 2738 B11R2.1 c1cc2c(c[nH]c2nc1)Cl TS41209 [0,1,0,1,0,0|1,0,0]=3 2739 B11R2.1 c1cc2c(c[nH]c2nc1)I TS02807 [0,1,0,1,0,0|1,0,0]=3 2740 B11R2.1 c1cc2c(c[nH]c2nc1)I TS85593 [0,1,0,1,0,0|1,0,0]=3 2741 B11R2.1 c1cc2c(c[nH]c2nc1)N TS59907 [0,1,0,1,0,0|1,0,0]=3 2742 B11R2.1 c1cc2c(c[nH]c2nc1)N TS65873 [0,1,0,1,0,0|1,0,0]=3 2743 B11R2.1 c1cc2c(n[nH]c2nc1)N TS85316 [0,1,0,1,0,0|1,0,0]=3 2744 B11R2.1 c1cc2c(nc1)CCC2=O TS01198 [0,1,0,1,0,0|1,0,0]=3 2745 B11R2.1 c1cc2c(nc1)CCC2N TS59726 [0,1,0,1,0,0|1,0,1]=4 2746 B11R2.1 c1cc2c(nc1)COC2=O TS05972 [0,1,0,1,0,0|1,0,0]=3 2747 B11R2.1 c1cc2c(noc2nc1)N TS05975 [0,1,0,1,0,0|0,0,1]=3 2748 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [0,1,0,1,0,0|2,0,0]=4 2749 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,1,0,1,0,0|2,0,0]=4 2750 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [0,1,0,1,0,0|2,0,0]=4 2751 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [0,1,0,1,0,0|2,0,0]=4 2752 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [0,1,0,1,0,0|2,0,0]=4 2753 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 TS93611 [0,1,0,1,0,0|1,0,0]=3 2754 B11R2.1 c1ccc2c(c1)c(=O)ss2 TS12573 [0,1,0,1,0,0|2,0,0]=4 2755 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br TS65948 [0,1,0,1,0,0|2,0,0]=4 2756 B11R2.1 c1ccc2c(c1)c(c[nH]2)F TS05986 [0,1,0,1,0,0|2,0,0]=4 2757 B11R2.1 c1ccc2c(c1)c(c[nH]2)I TS26960 [0,1,0,1,0,0|2,0,0]=4 2758 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [0,1,0,1,0,0|1,0,1]=4 2759 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br TS65947 [0,1,0,1,0,0|2,0,0]=4 2760 B11R2.1 c1ccc2c(c1)c(n[nH]2)Cl TS09510 [0,1,0,1,0,0|2,0,0]=4 2761 B11R2.1 c1ccc2c(c1)c(n[nH]2)I TS02806 [0,1,0,1,0,0|2,0,0]=4 2762 B11R2.1 c1ccc2c(c1)c(n[nH]2)N TS46951 [0,1,0,1,0,0|2,0,0]=4 2763 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [0,1,0,1,0,0|1,0,1]=4 2764 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [0,1,0,1,0,0|1,0,1]=4 2765 B11R2.1 c1ccc2c(c1)c(ns2)N TS46772 [0,1,0,1,0,0|1,1,0]=4 2766 B11R2.1 c1ccn2c(c1)n[nH]c2=O TS16379 [0,1,0,1,0,0|2,0,0]=4 2767 B11R2.1 c1cnc2c(n1)c(c[nH]2)Br TS91624 [0,1,0,1,0,0|2,0,0]=4 2768 B11R2.1 c1cnc2c(n1)c(c[nH]2)I TS90576 [0,1,0,1,0,0|2,0,0]=4 2769 B11R2.1 c1cncc2c1CNC2=O TS91296 [0,1,0,1,0,0|0,0,0]=2 2770 B11R2.1 c1cncc2c1COC2=O TS05973 [0,1,0,1,0,0|1,0,0]=3 2771 B11R2.1 c1cncc2c1[nH]cc2Br TS18397 [0,1,0,1,0,0|1,0,0]=3 2772 B11R2.1 c1cncc2c1[nH]cc2I TS61938 [0,1,0,1,0,0|1,0,0]=3 2773 B11R2.1 c1cncc2c1[nH]cc2N TS36758 [0,1,0,1,0,0|1,0,0]=3 2774 B11R2.1 c1cncc2c1[nH]nc2Br TS88152 [0,1,0,1,0,0|1,0,0]=3 2775 B11R2.1 c1cncc2c1[nH]nc2I TS92944 [0,1,0,1,0,0|1,0,0]=3 2776 B11R2.40 c1cc(cnc1)C2(CC2)N TS47030 [0,1,0,1,0,0|1,0,1]=4 2777 B7R1.1 C=Cn1ccnc1 TS03670 [1,0,0,0,1,0|2,0,0]=4 2778 B7R1.1 c1c(cn[nH]1)C=O TS00454 [1,0,0,0,1,0|1,0,0]=3 2779 B7R1.1 c1c(cn[nH]1)CN TS91237 [1,0,0,0,1,0|1,0,1]=4 2780 B7R1.1 c1c(con1)C=O TS03745 [1,0,0,0,1,0|1,0,0]=3 2781 B7R1.1 c1c(con1)CN TS05942 [1,0,0,0,1,0|1,0,1]=4 2782 B7R1.1 c1c(con1)CN TS91590 [1,0,0,0,1,0|1,0,1]=4 2783 B7R1.1 c1c(nc[nH]1)C=O TS01483 [1,0,0,0,1,0|1,0,0]=3 2784 B7R1.1 c1c(nco1)C=O TS71269 [1,0,0,0,1,0|1,0,0]=3 2785 B7R1.1 c1c(ncs1)C=O TS01721 [1,0,0,0,1,0|1,0,0]=3 2786 B7R1.1 c1c(ncs1)CN TS09978 [1,0,0,0,1,0|1,0,1]=4 2787 B7R1.1 c1c(ncs1)CN TS88491 [1,0,0,0,1,0|1,0,1]=4 2788 B7R1.1 c1c(nn[nH]1)C=O TS00445 [1,0,0,0,1,0|2,0,0]=4 2789 B7R1.1 c1c(nns1)C=O TS32058 [1,0,0,0,1,0|2,0,0]=4 2790 B7R1.1 c1c(ocn1)C=O TS01172 [1,0,0,0,1,0|1,0,0]=3 2791 B7R1.1 c1c(scn1)C=O TS55509 [1,0,0,0,1,0|1,0,0]=3 2792 B7R1.1 c1c[nH]cc1C=O TS00457 [1,0,0,0,1,0|0,0,1]=3 2793 B7R1.1 c1c[nH]nc1C=O TS59363 [1,0,0,0,1,0|1,0,0]=3 2794 B7R1.1 c1cc([nH]c1)C=O TS01672 [1,0,0,0,1,0|0,0,1]=3 2795 B7R1.1 c1cc([nH]c1)CN TS31377 [1,0,0,0,1,0|0,0,2]=4 2796 B7R1.1 c1cc(oc1)C=O TS03712 [1,0,0,0,1,0|1,0,0]=3 2797 B7R1.1 c1cc(oc1)CN TS03749 [1,0,0,0,1,0|1,0,1]=4 2798 B7R1.1 c1cc(sc1)C=O TS65660 [1,0,0,0,1,0|1,0,0]=3 2799 B7R1.1 c1cc(sc1)CN TS65663 [1,0,0,0,1,0|1,0,1]=4 2800 B7R1.1 c1cc[c-](c1)C=O TS21602 [1,0,0,0,1,0|0,0,1]=3 2801 B7R1.1 c1cn(cn1)C=O TS03714 [1,0,0,0,1,0|1,0,0]=3 2802 B7R1.1 c1cn[nH]c1C=O TS85315 [1,0,0,0,1,0|1,0,0]=3 2803 B7R1.1 c1cnc([nH]1)C=O TS77140 [1,0,0,0,1,0|1,0,0]=3 2804 B7R1.1 c1cnc([nH]1)CN TS88455 [1,0,0,0,1,0|1,0,1]=4 2805 B7R1.1 c1cnc([nH]1)NN TS03777 [1,0,0,0,1,0|2,0,0]=4 2806 B7R1.1 c1cnoc1C=O TS03746 [1,0,0,0,1,0|1,0,0]=3 2807 B7R1.1 c1cnoc1CN TS01391 [1,0,0,0,1,0|1,0,1]=4 2808 B7R1.1 c1cnoc1CN TS56201 [1,0,0,0,1,0|1,0,1]=4 2809 B7R1.1 c1cnsc1C=O TS04385 [1,0,0,0,1,0|1,0,0]=3 2810 B7R1.1 c1coc(n1)C=O TS09404 [1,0,0,0,1,0|1,0,0]=3 2811 B7R1.1 c1cocc1C=O TS02781 [1,0,0,0,1,0|1,0,0]=3 2812 B7R1.1 c1cocc1CN TS31397 [1,0,0,0,1,0|1,0,1]=4 2813 B7R1.1 c1cocc1CN TS36795 [1,0,0,0,1,0|1,0,1]=4 2814 B7R1.1 c1conc1C=O TS56203 [1,0,0,0,1,0|1,0,0]=3 2815 B7R1.1 c1conc1CN TS03776 [1,0,0,0,1,0|1,0,1]=4 2816 B7R1.1 c1csc(n1)C=O TS19605 [1,0,0,0,1,0|1,0,0]=3 2817 B7R1.1 c1csc(n1)C=O TS65653 [1,0,0,0,1,0|1,0,0]=3 2818 B7R1.1 c1csc(n1)CN TS04455 [1,0,0,0,1,0|1,0,1]=4 2819 B7R1.1 c1csc(n1)CN TS09110 [1,0,0,0,1,0|1,0,1]=4 2820 B7R1.1 c1cscc1C=O TS70719 [1,0,0,0,1,0|1,0,0]=3 2821 B7R1.1 c1cscc1CN TS86063 [1,0,0,0,1,0|1,0,1]=4 2822 B7R1.1 c1csnc1CN TS88909 [1,0,0,0,1,0|1,0,1]=4 2823 B7R1.1 c1nnc(o1)C=O TS03752 [1,0,0,0,1,0|2,0,0]=4 2824 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [0,0,0,0,0,2|2,0,0]=4 2825 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [0,0,0,0,0,2|2,0,0]=4 2826 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [0,0,0,0,0,2|2,0,0]=4 2827 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [0,0,0,0,0,2|2,0,0]=4 2828 B11R1.91 CC(=O)COc1ccccc1 TS40853 [0,0,0,0,0,2|2,0,0]=4 2829 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [0,0,0,0,0,2|2,0,0]=4 2830 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [0,0,0,0,0,2|2,0,0]=4 2831 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [0,0,0,0,0,2|1,0,0]=3 2832 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [0,0,0,0,0,2|2,0,0]=4 2833 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [0,0,0,0,0,2|2,0,0]=4 2834 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [0,0,0,0,0,2|2,0,0]=4 2835 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [0,0,0,0,0,2|2,0,0]=4 2836 B11R1.91 c1cc(cnc1)C=CC(=O)O TS40727 [0,0,0,0,0,2|1,0,0]=3 2837 B11R1.91 c1cc(cnc1)C=C[N+](=O)[O-] TS40824 [0,0,0,0,0,2|2,0,0]=4 2838 B11R1.91 c1cc(cnc1)CCC(=O)O TS09416 [0,0,0,0,0,2|1,0,0]=3 2839 B11R1.91 c1ccc(cc1)C#CC(=O)O TS07173 [0,0,0,0,0,2|2,0,0]=4 2840 B11R1.91 c1ccc(cc1)C=CC(=O)Cl TS12314 [0,0,0,0,0,2|2,0,0]=4 2841 B11R1.91 c1ccc(cc1)C=CC(=O)N TS55818 [0,0,0,0,0,2|1,0,0]=3 2842 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [0,0,0,0,0,2|2,0,0]=4 2843 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS45091 [0,0,0,0,0,2|2,0,0]=4 2844 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS48924 [0,0,0,0,0,2|2,0,0]=4 2845 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [0,0,0,0,0,2|2,0,0]=4 2846 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [0,0,0,0,0,2|1,0,0]=3 2847 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [0,0,0,0,0,2|2,0,0]=4 2848 B11R1.91 c1ccc(cc1)CNC(=N)N TS80918 [0,0,0,0,0,2|2,0,0]=4 2849 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [0,0,0,0,0,2|1,0,0]=3 2850 B11R1.91 c1ccc(cc1)CNC(=S)N TS12281 [0,0,0,0,0,2|1,1,0]=4 2851 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [0,0,0,0,0,2|2,0,0]=4 2852 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [0,0,0,0,0,2|1,0,0]=3 2853 B11R1.91 c1ccc(cc1)CSC(=N)N TS19496 [0,0,0,0,0,2|2,0,0]=4 2854 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [0,0,0,0,0,2|2,0,0]=4 2855 B11R1.91 c1ccc(cc1)NCC(=O)[O-] TS50941 [0,0,0,0,0,2|2,0,0]=4 2856 B11R1.91 c1ccc(cc1)NNC(=O)N TS41021 [0,0,0,0,0,2|1,0,0]=3 2857 B11R1.91 c1ccc(cc1)NNC(=S)N TS12419 [0,0,0,0,0,2|1,1,0]=4 2858 B11R1.91 c1ccc(cc1)OCC(=N)N TS15733 [0,0,0,0,0,2|2,0,0]=4 2859 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [0,0,0,0,0,2|2,0,0]=4 2860 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [0,0,0,0,0,2|1,0,0]=3 2861 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [0,0,0,0,0,2|2,0,0]=4 2862 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [0,0,0,0,0,2|2,0,0]=4 2863 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [0,0,0,0,0,2|2,0,0]=4 2864 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [0,0,0,0,0,2|2,0,0]=4 2865 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [0,0,0,0,0,2|2,0,0]=4 2866 B11R1.91 c1ccc(cc1)OCC(=S)N TS12410 [0,0,0,0,0,2|1,1,0]=4 2867 B11R1.91 c1ccc(cc1)SCC(=N)N TS19495 [0,0,0,0,0,2|2,0,0]=4 2868 B11R1.91 c1ccc(cc1)SCC(=S)N TS15170 [0,0,0,0,0,2|1,1,0]=4