0 B10R1.61 B(c1ccccc1Br)(O)O TS00858 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.61 B(c1ccccc1C)(O)O TS02443 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.61 B(c1ccccc1Cl)(O)O TS00951 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.61 B(c1ccccc1F)(O)O TS37322 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.61 B(c1ccccc1I)(O)O TS27680 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 B(c1ccccc1N)(O)O TS45687 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.61 B(c1ccccc1N)(O)O TS94617 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.61 B(c1ccccc1O)(O)O TS55396 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.61 B(c1ccccc1S)(O)O TS94336 [0,0,0,0,0,0|3,1,0]=4 9 B10R1.61 CC(=C)c1ccccc1N TS36780 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.61 CC(=O)c1ccccc1Br TS54149 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.61 CC(=O)c1ccccc1F TS37171 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.61 CC(=O)c1ccccc1I TS62238 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.61 CC(=O)c1ccccc1O TS01063 [0,0,0,0,0,0|1,0,1]=2 19 B10R1.61 CC(=O)c1cccnc1Br TS18940 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.61 CC(=O)c1cccnc1F TS02616 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.61 CC(=O)c1cccnc1N TS08276 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.61 CC(=O)c1ccncc1Br TS18937 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.61 CC(=O)c1ccncc1Br TS76034 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.61 CC(=O)c1ccncc1F TS08156 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.61 CC(=O)c1ccncc1N TS06058 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.61 CC(=O)c1cnccc1F TS37273 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.61 CC(C)c1ccccc1Br TS46918 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.61 CC(C)c1ccccc1F TS06286 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.61 CC(C)c1ccccc1I TS27403 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.61 CC(C)c1ccccc1N TS06016 [0,0,0,0,0,0|1,0,0]=1 32 B10R1.61 CC(C)c1ccccc1O TS06094 [0,0,0,0,0,0|0,0,0]=0 33 B10R1.61 CC(C)c1ccccc1S TS41199 [0,0,0,0,0,0|0,1,0]=1 34 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.61 CC(c1c(cccn1)F)O TS06577 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.61 CC(c1ccccc1Br)O TS38045 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.61 CC(c1ccccc1Cl)N TS10635 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.61 CC(c1ccccc1Cl)O TS41730 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.61 CC(c1ccccc1F)N TS37297 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.61 CC(c1ccccc1F)O TS08150 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.61 CC(c1cccnc1Br)N TS19152 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.61 CC(c1cccnc1N)O TS37203 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.61 CN(C)c1ccccc1Br TS37850 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.61 CN(C)c1ccccc1Cl TS10629 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.61 CN(C)c1ccccc1F TS37299 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.61 CN(C)c1ccncc1Br TS19155 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.61 CS(=O)c1ccccc1O TS41630 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [0,0,0,0,0,0|2,0,0]=2 51 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [0,0,0,0,0,0|2,0,0]=2 53 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.61 Cc1ccccc1C(=C)C TS05768 [0,0,0,0,0,0|1,0,2]=3 57 B10R1.61 Cc1ccccc1C(=N)N TS12937 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.61 Cc1ccccc1C(=O)C TS36852 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.61 Cc1ccccc1C(=O)N TS36917 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.61 Cc1ccccc1C(=O)O TS01622 [0,0,0,0,0,0|3,0,1]=4 62 B10R1.61 Cc1ccccc1C(=S)N TS41052 [0,0,0,0,0,0|3,0,1]=4 63 B10R1.61 Cc1ccccc1C(C)N TS36951 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.61 Cc1ccccc1C(C)O TS37021 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.61 Cc1ccccc1N(C)C TS06004 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [0,0,0,0,0,0|2,0,0]=2 68 B10R1.61 Cc1ccccc1[N+](=O)[O-] TS37088 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.61 c1cc(c(nc1)C(=O)N)O TS06240 [0,0,0,0,0,0|3,0,1]=4 70 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [0,0,0,0,0,0|3,0,1]=4 71 B10R1.61 c1cc(c(nc1)O)C(=O)O TS02008 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] TS55387 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O TS02788 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [0,0,0,0,0,0|3,0,1]=4 78 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [0,0,0,0,0,0|3,0,1]=4 79 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [0,0,0,0,0,0|3,0,1]=4 80 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [0,0,0,0,0,0|3,0,1]=4 81 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [0,0,0,0,0,0|3,0,1]=4 82 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [0,0,0,0,0,0|3,0,1]=4 83 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [0,0,0,0,0,0|3,0,1]=4 84 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [0,0,0,0,0,0|2,0,1]=3 85 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [0,0,0,0,0,0|3,0,1]=4 86 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [0,0,0,0,0,0|3,0,1]=4 87 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [0,0,0,0,0,0|3,0,1]=4 89 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [0,0,0,0,0,0|2,0,1]=3 90 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [0,0,0,0,0,0|2,0,1]=3 91 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [0,0,0,0,0,0|2,0,1]=3 92 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [0,0,0,0,0,0|2,1,1]=4 93 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [0,0,0,0,0,0|3,0,1]=4 95 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [0,0,0,0,0,0|3,0,1]=4 96 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [0,0,0,0,0,0|2,0,1]=3 97 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [0,0,0,0,0,0|2,0,1]=3 98 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [0,0,0,0,0,0|2,0,1]=3 99 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [0,0,0,0,0,0|2,0,1]=3 100 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [0,0,0,0,0,0|2,0,1]=3 101 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [0,0,0,0,0,0|2,0,1]=3 102 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [0,0,0,0,0,0|2,0,1]=3 103 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [0,0,0,0,0,0|2,0,1]=3 104 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [0,0,0,0,0,0|2,0,1]=3 105 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [0,0,0,0,0,0|2,0,1]=3 106 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [0,0,0,0,0,0|2,1,1]=4 107 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [0,0,0,0,0,0|3,0,1]=4 108 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [0,0,0,0,0,0|3,0,1]=4 109 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [0,0,0,0,0,0|3,0,1]=4 110 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [0,0,0,0,0,0|3,0,1]=4 111 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [0,0,0,0,0,0|2,0,1]=3 112 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F TS47662 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.61 c1ccc(c(c1)C(F)F)Br TS59895 [0,0,0,0,0,0|3,0,0]=3 114 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS37160 [0,0,0,0,0,0|4,0,0]=4 115 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS45867 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br TS46919 [0,0,0,0,0,0|4,0,0]=4 117 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl TS41833 [0,0,0,0,0,0|4,0,0]=4 118 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F TS01030 [0,0,0,0,0,0|4,0,0]=4 119 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I TS46971 [0,0,0,0,0,0|4,0,0]=4 120 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [0,0,0,0,0,0|3,0,0]=3 122 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S TS09401 [0,0,0,0,0,0|3,1,0]=4 123 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [0,0,0,0,0,0|3,0,1]=4 124 B10R1.61 c1cncc(c1O)C(=O)O TS03130 [0,0,0,0,0,0|3,0,1]=4 125 B10R1.61 c1cncc(c1O)[N+](=O)[O-] TS86034 [0,0,0,0,0,0|4,0,0]=4 126 B10R1.61 c1cncc(c1[N+](=O)[O-])O TS06414 [0,0,0,0,0,0|4,0,0]=4 127 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.6 B(c1ccccc1)(O)O TS59339 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.6 C=C(c1ccccc1)Br TS48375 [1,0,0,0,0,0|1,0,2]=4 130 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [1,0,0,0,0,0|1,0,2]=4 131 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,0,0,0,0,0|0,0,2]=3 132 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,0,0,0,0,0|1,0,1]=3 133 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,0,0,0,0,0|1,0,1]=3 134 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,0,0,0,0,0|1,0,1]=3 135 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,0,0,0,0,0|1,0,1]=3 136 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.6 CC(C)c1ccccn1 TS32479 [1,0,0,0,0,0|1,0,0]=2 140 B9R1.6 CC(C)c1ccccn1 TS49188 [1,0,0,0,0,0|1,0,0]=2 141 B9R1.6 CC(C)c1ccncc1 TS09132 [1,0,0,0,0,0|1,0,0]=2 142 B9R1.6 CC(C)c1cnccn1 TS04911 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.6 CC(c1ccccc1)Cl TS37453 [1,0,0,0,0,0|1,0,0]=2 144 B9R1.6 CC(c1ccccc1)N TS55879 [1,0,0,0,0,0|1,0,0]=2 145 B9R1.6 CC(c1ccccc1)O TS04908 [1,0,0,0,0,0|1,0,0]=2 146 B9R1.6 CC(c1ccccn1)N TS47025 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.6 CC(c1ccccn1)N TS59503 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.6 CC(c1ccccn1)O TS08930 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.6 CC(c1cccnc1)N TS59573 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.6 CC(c1ccncc1)N TS51965 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.6 CC(c1ccncc1)N TS59574 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.6 CC(c1ccncn1)N TS91641 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.6 CC(c1ccnnc1)N TS88664 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.6 CC(c1cnccn1)N TS86731 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.6 CC(c1cncnc1)N TS88597 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.6 CN(C)c1ccccc1 TS56353 [1,0,0,0,0,0|1,0,0]=2 158 B9R1.6 CN(C)c1ccccn1 TS04916 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.6 CN(C)c1cccnc1 TS32521 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.6 CN(C)c1ccncc1 TS71094 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.6 CN(C)c1ccncc1 TS79663 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.6 CN(C)c1ccncc1 TS93097 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.6 CN(c1ccccc1)N TS46980 [1,0,0,0,0,0|2,0,0]=3 164 B9R1.6 CP(C)c1ccccc1 TS37178 [1,0,0,0,0,0|1,0,0]=2 165 B9R1.6 CP(C)c1ccccc1 TS75399 [1,0,0,0,0,0|1,0,0]=2 166 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [1,0,0,0,0,0|1,0,0]=2 167 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [1,0,0,0,0,0|1,0,0]=2 168 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.6 C[C@@H](c1cncnc1)N TS86849 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.6 C[C@H](c1ccccc1)N TS00310 [1,0,0,0,0,0|1,0,0]=2 173 B9R1.6 C[C@H](c1ccccc1)N TS29339 [1,0,0,0,0,0|1,0,0]=2 174 B9R1.6 C[C@H](c1ccccc1)O TS04906 [1,0,0,0,0,0|1,0,0]=2 175 B9R1.6 C[C@H](c1ccccn1)O TS04976 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.6 C[C@H](c1cccnc1)O TS04956 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.6 C[C@H](c1ccncc1)O TS39982 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.6 C[C@H](c1cncnc1)N TS90168 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [1,0,0,0,0,0|0,1,0]=2 180 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [1,0,0,0,0,0|2,0,1]=4 181 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,0,0,0,0,0|2,0,1]=4 187 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,0,0,0,0,0|2,0,1]=4 189 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,0,0,0,0,0|2,0,1]=4 190 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,0,0,0,0,0|2,0,1]=4 192 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [1,0,0,0,0,0|2,1,0]=4 211 B9R1.15 C#Cc1ccccc1Br TS48023 [1,0,0,0,0,0|1,0,2]=4 212 B9R1.15 C#Cc1ccccc1Cl TS55288 [1,0,0,0,0,0|1,0,2]=4 213 B9R1.15 C#Cc1ccccc1F TS77181 [1,0,0,0,0,0|1,0,2]=4 214 B9R1.15 C#Cc1ccccc1O TS55318 [1,0,0,0,0,0|0,0,2]=3 215 B9R1.15 C=Cc1ccccc1Br TS55173 [1,0,0,0,0,0|1,0,2]=4 216 B9R1.15 C=Cc1ccccc1Cl TS00968 [1,0,0,0,0,0|1,0,2]=4 217 B9R1.15 C=Cc1ccccc1F TS32504 [1,0,0,0,0,0|1,0,2]=4 218 B9R1.15 C=Cc1ccccc1I TS24807 [1,0,0,0,0,0|1,0,2]=4 219 B9R1.15 CC[n+]1ccccc1Br TS33546 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.15 CCc1c(cncn1)F TS71104 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.15 CCc1c(nccn1)C TS04922 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.15 CCc1cccc[n+]1[O-] TS32558 [1,0,0,0,0,0|1,0,1]=3 223 B9R1.15 CCc1ccccc1Br TS15420 [1,0,0,0,0,0|1,0,0]=2 224 B9R1.15 CCc1ccccc1C TS16337 [1,0,0,0,0,0|1,0,0]=2 225 B9R1.15 CCc1ccccc1Cl TS37450 [1,0,0,0,0,0|1,0,0]=2 226 B9R1.15 CCc1ccccc1I TS25157 [1,0,0,0,0,0|1,0,0]=2 227 B9R1.15 CCc1ccccc1N TS32474 [1,0,0,0,0,0|1,0,0]=2 228 B9R1.15 CCc1ccccc1O TS04900 [1,0,0,0,0,0|0,0,0]=1 229 B9R1.15 CCc1ccccc1S TS06304 [1,0,0,0,0,0|0,1,0]=2 230 B9R1.15 CCc1cccnc1C TS32475 [1,0,0,0,0,0|2,0,0]=3 231 B9R1.15 CCc1ccncc1C TS32464 [1,0,0,0,0,0|2,0,0]=3 232 B9R1.15 CCc1cnccc1Br TS92322 [1,0,0,0,0,0|2,0,0]=3 233 B9R1.15 CCc1cnccc1C TS32480 [1,0,0,0,0,0|2,0,0]=3 234 B9R1.15 CCc1cncnc1Cl TS71037 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.15 CCc1cncnc1O TS05018 [1,0,0,0,0,0|2,0,0]=3 236 B9R1.15 CNc1c(cccn1)Br TS49024 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.15 CNc1c(cccn1)Cl TS44725 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.15 CNc1ccccc1Cl TS37531 [1,0,0,0,0,0|2,0,0]=3 239 B9R1.15 CNc1ccccc1F TS56413 [1,0,0,0,0,0|2,0,0]=3 240 B9R1.15 CNc1ccccc1N TS01587 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.15 CNc1ccccc1N TS41998 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.15 CNc1ccccc1N TS60152 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.15 CNc1ccccc1O TS04968 [1,0,0,0,0,0|1,0,0]=2 244 B9R1.15 CNc1cccnc1Br TS49018 [1,0,0,0,0,0|3,0,0]=4 245 B9R1.15 CNc1cccnc1Cl TS06799 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.15 CNc1cccnc1Cl TS46508 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.15 CNc1ccncc1N TS32563 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.15 COc1c(cccn1)Br TS65905 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.15 COc1c(cccn1)Cl TS65976 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.15 COc1c(cccn1)F TS36212 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.15 COc1c(cccn1)I TS02808 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.15 COc1c(cccn1)N TS02635 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.15 COc1ccccc1Br TS00023 [1,0,0,0,0,0|2,0,0]=3 254 B9R1.15 COc1ccccc1Cl TS37688 [1,0,0,0,0,0|2,0,0]=3 255 B9R1.15 COc1ccccc1F TS60288 [1,0,0,0,0,0|2,0,0]=3 256 B9R1.15 COc1ccccc1I TS09308 [1,0,0,0,0,0|2,0,0]=3 257 B9R1.15 COc1ccccc1N TS29238 [1,0,0,0,0,0|2,0,0]=3 258 B9R1.15 COc1ccccc1N TS59329 [1,0,0,0,0,0|2,0,0]=3 259 B9R1.15 COc1ccccc1P TS06425 [1,0,0,0,0,0|2,0,0]=3 260 B9R1.15 COc1ccccc1S TS37393 [1,0,0,0,0,0|1,1,0]=3 261 B9R1.15 COc1ccccc1[Zn+] TS74540 [1,0,0,0,0,0|2,0,0]=3 262 B9R1.15 COc1cccnc1Br TS08305 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.15 COc1cccnc1Cl TS55198 [1,0,0,0,0,0|3,0,0]=4 264 B9R1.15 COc1cccnc1I TS25665 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.15 COc1cccnc1N TS47373 [1,0,0,0,0,0|3,0,0]=4 266 B9R1.15 COc1cccnc1O TS55383 [1,0,0,0,0,0|2,0,0]=3 267 B9R1.15 COc1ccncc1Br TS09454 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.15 COc1ccncc1I TS02810 [1,0,0,0,0,0|3,0,0]=4 269 B9R1.15 COc1ccncc1N TS65861 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.15 CSc1ccccc1Br TS19526 [1,0,0,0,0,0|2,0,0]=3 271 B9R1.15 CSc1ccccc1Cl TS42002 [1,0,0,0,0,0|2,0,0]=3 272 B9R1.15 CSc1ccccc1F TS06689 [1,0,0,0,0,0|2,0,0]=3 273 B9R1.15 CSc1ccccc1I TS27990 [1,0,0,0,0,0|2,0,0]=3 274 B9R1.15 CSc1ccccc1O TS37395 [1,0,0,0,0,0|1,0,0]=2 275 B9R1.15 CSc1ccccc1[Zn+] TS76795 [1,0,0,0,0,0|2,0,0]=3 276 B9R1.15 Cc1c(cccn1)CBr TS87803 [1,0,0,0,0,0|3,0,0]=4 277 B9R1.15 Cc1c(cccn1)CCl TS90028 [1,0,0,0,0,0|3,0,0]=4 278 B9R1.15 Cc1c(cccn1)CN TS32520 [1,0,0,0,0,0|3,0,0]=4 279 B9R1.15 Cc1c(cccn1)CO TS04969 [1,0,0,0,0,0|3,0,0]=4 280 B9R1.15 Cc1c(cccn1)OC TS04964 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.15 Cc1ccccc1C#C TS02442 [1,0,0,0,0,0|1,0,2]=4 282 B9R1.15 Cc1ccccc1C#N TS04680 [1,0,0,0,0,0|2,0,1]=4 283 B9R1.15 Cc1ccccc1C=C TS02453 [1,0,0,0,0,0|1,0,2]=4 284 B9R1.15 Cc1ccccc1C=O TS04808 [1,0,0,0,0,0|2,0,1]=4 285 B9R1.15 Cc1ccccc1CBr TS01133 [1,0,0,0,0,0|2,0,0]=3 286 B9R1.15 Cc1ccccc1CCl TS37456 [1,0,0,0,0,0|2,0,0]=3 287 B9R1.15 Cc1ccccc1CN TS04867 [1,0,0,0,0,0|2,0,0]=3 288 B9R1.15 Cc1ccccc1CO TS04907 [1,0,0,0,0,0|2,0,0]=3 289 B9R1.15 Cc1ccccc1CS TS06308 [1,0,0,0,0,0|2,0,0]=3 290 B9R1.15 Cc1ccccc1NC TS32471 [1,0,0,0,0,0|2,0,0]=3 291 B9R1.15 Cc1ccccc1NN TS60156 [1,0,0,0,0,0|3,0,0]=4 292 B9R1.15 Cc1ccccc1OC TS32508 [1,0,0,0,0,0|2,0,0]=3 293 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [1,0,0,0,0,0|3,0,0]=4 294 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.15 Cc1cccnc1CCl TS91176 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.15 Cc1cccnc1CN TS32513 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.15 Cc1cccnc1CO TS04977 [1,0,0,0,0,0|3,0,0]=4 298 B9R1.15 Cc1cccnc1OC TS04965 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.15 Cc1ccncc1CCl TS88594 [1,0,0,0,0,0|3,0,0]=4 300 B9R1.15 Cc1ccncc1CN TS04915 [1,0,0,0,0,0|3,0,0]=4 301 B9R1.15 Cc1ccncc1CO TS04980 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.15 Cc1ccncc1NC TS04920 [1,0,0,0,0,0|3,0,0]=4 303 B9R1.15 Cc1cnccc1CCl TS89010 [1,0,0,0,0,0|3,0,0]=4 304 B9R1.15 Cc1cnccc1CN TS32519 [1,0,0,0,0,0|3,0,0]=4 305 B9R1.15 Cc1cnccc1CO TS91100 [1,0,0,0,0,0|3,0,0]=4 306 B9R1.15 [C-]#[N+]c1ccccc1Br TS14868 [1,0,0,0,0,0|2,0,1]=4 307 B9R1.15 [C-]#[N+]c1ccccc1Cl TS37133 [1,0,0,0,0,0|2,0,1]=4 308 B9R1.15 c1cc(c(nc1)Br)CBr TS55083 [1,0,0,0,0,0|3,0,0]=4 309 B9R1.15 c1cc(c(nc1)C#N)O TS55289 [1,0,0,0,0,0|2,0,1]=4 310 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [1,0,0,0,0,0|2,0,1]=4 311 B9R1.15 c1cc(c(nc1)CBr)F TS85731 [1,0,0,0,0,0|3,0,0]=4 312 B9R1.15 c1cc(c(nc1)CBr)O TS08820 [1,0,0,0,0,0|2,0,0]=3 313 B9R1.15 c1cc(c(nc1)CCl)F TS86737 [1,0,0,0,0,0|3,0,0]=4 314 B9R1.15 c1cc(c(nc1)CN)F TS86282 [1,0,0,0,0,0|3,0,0]=4 315 B9R1.15 c1cc(c(nc1)CO)F TS88540 [1,0,0,0,0,0|3,0,0]=4 316 B9R1.15 c1cc(c(nc1)CO)N TS05011 [1,0,0,0,0,0|3,0,0]=4 317 B9R1.15 c1cc(c(nc1)CO)O TS55400 [1,0,0,0,0,0|2,0,0]=3 318 B9R1.15 c1cc(c(nc1)CO)O TS70604 [1,0,0,0,0,0|2,0,0]=3 319 B9R1.15 c1cc(c(nc1)Cl)CCl TS86687 [1,0,0,0,0,0|3,0,0]=4 320 B9R1.15 c1cc(c(nc1)Cl)CO TS55211 [1,0,0,0,0,0|3,0,0]=4 321 B9R1.15 c1cc(c(nc1)F)CN TS08409 [1,0,0,0,0,0|3,0,0]=4 322 B9R1.15 c1cc(c(nc1)F)CO TS55320 [1,0,0,0,0,0|3,0,0]=4 323 B9R1.15 c1cc(c(nc1)N)CCl TS08290 [1,0,0,0,0,0|3,0,0]=4 324 B9R1.15 c1cc(c(nc1)N)CO TS47364 [1,0,0,0,0,0|3,0,0]=4 325 B9R1.15 c1cc(c(nc1)O)C#N TS07723 [1,0,0,0,0,0|2,0,1]=4 326 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [1,0,0,0,0,0|2,0,1]=4 327 B9R1.15 c1cc(c(nc1)O)CN TS42244 [1,0,0,0,0,0|2,0,0]=3 328 B9R1.15 c1ccc(c(c1)C#N)Br TS08819 [1,0,0,0,0,0|2,0,1]=4 329 B9R1.15 c1ccc(c(c1)C#N)Cl TS37134 [1,0,0,0,0,0|2,0,1]=4 330 B9R1.15 c1ccc(c(c1)C#N)F TS01022 [1,0,0,0,0,0|2,0,1]=4 331 B9R1.15 c1ccc(c(c1)C#N)I TS60301 [1,0,0,0,0,0|2,0,1]=4 332 B9R1.15 c1ccc(c(c1)C#N)N TS47464 [1,0,0,0,0,0|2,0,1]=4 333 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [1,0,0,0,0,0|1,0,1]=3 334 B9R1.15 c1ccc(c(c1)C#N)[Zn+] TS27646 [1,0,0,0,0,0|2,0,1]=4 335 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [1,0,0,0,0,0|2,0,1]=4 336 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [1,0,0,0,0,0|2,0,1]=4 337 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [1,0,0,0,0,0|2,0,1]=4 338 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [1,0,0,0,0,0|2,0,1]=4 339 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [1,0,0,0,0,0|2,0,1]=4 340 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [1,0,0,0,0,0|2,0,1]=4 341 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [1,0,0,0,0,0|1,0,1]=3 342 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [1,0,0,0,0,0|2,0,0]=3 343 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [1,0,0,0,0,0|2,0,0]=3 344 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [1,0,0,0,0,0|2,0,0]=3 345 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [1,0,0,0,0,0|2,0,0]=3 346 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [1,0,0,0,0,0|1,0,0]=2 347 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [1,0,0,0,0,0|2,0,0]=3 348 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [1,0,0,0,0,0|2,0,0]=3 349 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [1,0,0,0,0,0|2,0,0]=3 350 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [1,0,0,0,0,0|2,0,0]=3 351 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [1,0,0,0,0,0|2,0,0]=3 352 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [1,0,0,0,0,0|2,0,0]=3 353 B9R1.15 c1ccc(c(c1)CN)F TS65429 [1,0,0,0,0,0|2,0,0]=3 354 B9R1.15 c1ccc(c(c1)CN)I TS53416 [1,0,0,0,0,0|2,0,0]=3 355 B9R1.15 c1ccc(c(c1)CN)N TS39642 [1,0,0,0,0,0|2,0,0]=3 356 B9R1.15 c1ccc(c(c1)CN)O TS04954 [1,0,0,0,0,0|1,0,0]=2 357 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [1,0,0,0,0,0|2,0,0]=3 358 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [1,0,0,0,0,0|2,0,0]=3 359 B9R1.15 c1ccc(c(c1)CO)F TS36110 [1,0,0,0,0,0|2,0,0]=3 360 B9R1.15 c1ccc(c(c1)CO)I TS01080 [1,0,0,0,0,0|2,0,0]=3 361 B9R1.15 c1ccc(c(c1)CO)N TS47468 [1,0,0,0,0,0|2,0,0]=3 362 B9R1.15 c1ccc(c(c1)CO)O TS32604 [1,0,0,0,0,0|1,0,0]=2 363 B9R1.15 c1ccc(c(c1)CO)S TS37394 [1,0,0,0,0,0|1,1,0]=3 364 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [1,0,0,0,0,0|2,0,0]=3 365 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [1,0,0,0,0,0|2,0,0]=3 366 B9R1.15 c1ccc(c(c1)CS)F TS06685 [1,0,0,0,0,0|2,0,0]=3 367 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [1,0,0,0,0,0|3,0,0]=4 368 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [1,0,0,0,0,0|3,0,0]=4 369 B9R1.15 c1ccc(c(c1)NN)F TS01033 [1,0,0,0,0,0|3,0,0]=4 370 B9R1.15 c1ccc(c(c1)NN)F TS01034 [1,0,0,0,0,0|3,0,0]=4 371 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [1,0,0,0,0,0|2,0,0]=3 372 B9R1.15 c1cncc(c1C=O)O TS02800 [1,0,0,0,0,0|2,0,1]=4 373 B9R1.15 c1cncc(c1CO)Br TS87802 [1,0,0,0,0,0|3,0,0]=4 374 B9R1.15 c1cncc(c1CO)F TS90447 [1,0,0,0,0,0|3,0,0]=4 375 B9R1.15 c1cncc(c1CO)N TS05021 [1,0,0,0,0,0|3,0,0]=4 376 B9R1.15 c1cncc(c1CO)O TS05089 [1,0,0,0,0,0|2,0,0]=3 377 B9R1.15 c1cncc(c1Cl)CO TS08032 [1,0,0,0,0,0|3,0,0]=4 378 B9R1.15 c1cncc(c1N)CN TS09431 [1,0,0,0,0,0|3,0,0]=4 379 B9R1.15 c1cncc(c1N)CO TS32608 [1,0,0,0,0,0|3,0,0]=4 380 B11R1.53 CC(=O)c1ccccc1C#N TS07089 [0,1,0,0,0,0|2,0,1]=4 381 B11R1.53 CC(=O)c1ccccc1OC TS09870 [0,1,0,0,0,0|1,0,1]=3 382 B11R1.53 CC(C)c1c(nccn1)SC TS44909 [0,1,0,0,0,0|2,1,0]=4 383 B11R1.53 CC(C)c1ccccc1C=O TS55413 [0,1,0,0,0,0|0,0,1]=2 384 B11R1.53 CC(C)c1ccccc1OC TS40899 [0,1,0,0,0,0|0,0,0]=1 385 B11R1.53 CN(C)c1ccccc1C=O TS00515 [0,1,0,0,0,0|1,0,1]=3 386 B11R1.53 COc1ccccc1C(=N)N TS15732 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.53 COc1ccccc1C(=O)Cl TS12916 [0,1,0,0,0,0|2,0,1]=4 388 B11R1.53 COc1ccccc1C(=O)N TS10036 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.53 COc1ccccc1C(=O)O TS00089 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.53 COc1ccccc1C(=S)N TS12414 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.53 COc1ccccc1[N+](=O)[O-] TS41258 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.53 C[C@@H](c1ccccc1OC)N TS10074 [0,1,0,0,0,0|1,0,0]=2 393 B11R1.53 C[C@H](c1ccccc1OC)N TS10073 [0,1,0,0,0,0|1,0,0]=2 394 B11R1.53 c1ccc(c(c1)C(=O)O)[Hg]O TS78416 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.53 c1ccc(c(c1)CO)[N+](=O)[O-] TS09390 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.87 CC(C)(C)c1ccccc1N TS65054 [0,1,0,0,0,0|1,0,0]=2 397 B11R1.87 CC(C)(C)c1ccccc1O TS09922 [0,1,0,0,0,0|0,0,0]=1 398 B11R1.87 CC(C)(C)c1ccccc1S TS43141 [0,1,0,0,0,0|0,1,0]=2 399 B11R1.87 CC(C)(c1ccccc1N)O TS41042 [0,1,0,0,0,0|1,0,0]=2 400 B11R1.87 CS(=O)(=O)c1ccccc1Br TS56617 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.87 CS(=O)(=O)c1ccccc1Cl TS51206 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.87 CS(=O)(=O)c1ccccc1N TS13014 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.87 CS(=O)(=O)c1ccccc1O TS45454 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.87 C[Si](C)(C)c1c(cccn1)F TS45031 [0,1,0,0,0,0|2,1,0]=4 405 B11R1.87 C[Si](C)(C)c1cnccc1F TS45032 [0,1,0,0,0,0|2,1,0]=4 406 B11R1.87 Cc1ccccc1C(C)(C)C TS07504 [0,1,0,0,0,0|1,0,0]=2 407 B11R1.87 Cc1ccccc1C(F)(F)F TS46988 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.87 c1cc(c(nc1)O)C(F)(F)F TS01781 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.87 c1ccc(c(c1)C(Cl)(Cl)Cl)Cl TS52920 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.87 c1ccc(c(c1)C(Cl)(Cl)Cl)F TS21551 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.87 c1ccc(c(c1)C(F)(F)Cl)Cl TS53792 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.87 c1ccc(c(c1)C(F)(F)F)Br TS60272 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.87 c1ccc(c(c1)C(F)(F)F)Cl TS47992 [0,1,0,0,0,0|3,0,0]=4 414 B11R1.87 c1ccc(c(c1)C(F)(F)F)F TS60289 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.87 c1ccc(c(c1)C(F)(F)F)I TS01079 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.87 c1ccc(c(c1)C(F)(F)F)N TS39687 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.87 c1ccc(c(c1)C(F)(F)F)S TS14159 [0,1,0,0,0,0|2,1,0]=4 418 B11R1.87 c1ccc(c(c1)O)P(=O)(O)O TS13426 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)[O-] TS18191 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.87 c1cncc(c1C(F)(F)F)O TS11656 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.156 CC(=O)c1c(cccc1Cl)Cl TS50844 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.156 CC(=O)c1c(cccc1Cl)F TS45556 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.156 CC(=O)c1c(cccc1F)F TS34647 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.156 CC(=O)c1c(cccc1F)O TS41346 [0,1,0,0,0,0|1,0,1]=3 425 B11R1.156 CC(=O)c1c(cccc1O)O TS10125 [0,1,0,0,0,0|1,0,1]=3 426 B11R1.156 CC(c1c(cccc1Cl)Cl)O TS17226 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.156 C[C@@H](c1c(cccc1Cl)F)N TS13421 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.156 Cc1cccc(c1C(=O)C)C TS07473 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.156 Cc1cccc(c1C(=O)O)O TS09305 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.156 Cc1cccc(c1[N+](=O)[O-])O TS93827 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])O TS60006 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O TS01777 [0,1,0,0,0,0|2,0,1]=4 433 B11R1.156 c1cc(c(c(c1)Cl)C(Cl)Cl)Cl TS52916 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O TS55362 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])O TS70575 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.156 c1cc(c(c(c1)O)C(=O)N)O TS41257 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O TS10390 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.156 c1cc(c(c(c1)O)[N+](=O)[O-])O TS10555 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.159 B(c1cccc(c1O)C)(O)O TS10105 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.159 B(c1cccc(c1O)F)(O)O TS41563 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.159 CC(=O)c1cccc(c1Cl)Cl TS50849 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.159 CC(=O)c1cccc(c1F)Br TS08677 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.159 CC(=O)c1cccc(c1F)F TS10653 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.159 CC(=O)c1cccc(c1N)O TS41015 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [0,1,0,0,0,0|1,0,1]=3 446 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [0,1,0,0,0,0|1,0,1]=3 447 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [0,1,0,0,0,0|1,0,1]=3 448 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [0,1,0,0,0,0|1,0,1]=3 449 B11R1.159 CC(C)c1cccc(c1O)O TS41150 [0,1,0,0,0,0|0,0,0]=1 450 B11R1.159 CN(C)c1cccc(c1Cl)Cl TS51013 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.159 Cc1cccc(c1C)C(C)O TS09918 [0,1,0,0,0,0|2,0,0]=3 453 B11R1.159 Cc1cccc(c1N)C(C)C TS55412 [0,1,0,0,0,0|1,0,0]=2 454 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.159 Cc1cccc(c1O)C(=O)[O-] TS13445 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.159 Cc1cccc(c1O)C(C)C TS40904 [0,1,0,0,0,0|0,0,0]=1 457 B11R1.159 Cc1cccc(c1O)[N+](=O)[O-] TS01280 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)O TS65903 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.159 c1cc(c(c(c1)Br)O)[N+](=O)[O-] TS08374 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(Cl)Cl TS52919 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)O TS13252 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.159 c1cc(c(c(c1)Cl)O)[N+](=O)[O-] TS65408 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O TS59690 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.159 c1cc(c(c(c1)F)O)[N+](=O)[O-] TS55373 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O TS39705 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O TS47161 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.166 B(c1ccc(cc1O)C)(O)O TS85931 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.166 B(c1ccc(cc1O)F)(O)O TS07662 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.166 CC(=O)c1ccc(cc1Br)F TS55105 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.166 CC(=O)c1ccc(cc1Cl)Br TS53520 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl TS47210 [0,1,0,0,0,0|2,0,1]=4 472 B11R1.166 CC(=O)c1ccc(cc1Cl)F TS09270 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.166 CC(=O)c1ccc(cc1Cl)O TS16676 [0,1,0,0,0,0|2,0,1]=4 474 B11R1.166 CC(=O)c1ccc(cc1F)Br TS29433 [0,1,0,0,0,0|2,0,1]=4 475 B11R1.166 CC(=O)c1ccc(cc1F)Cl TS09000 [0,1,0,0,0,0|2,0,1]=4 476 B11R1.166 CC(=O)c1ccc(cc1F)F TS00626 [0,1,0,0,0,0|2,0,1]=4 477 B11R1.166 CC(=O)c1ccc(cc1F)N TS41259 [0,1,0,0,0,0|2,0,1]=4 478 B11R1.166 CC(=O)c1ccc(cc1F)O TS41347 [0,1,0,0,0,0|2,0,1]=4 479 B11R1.166 CC(=O)c1ccc(cc1N)O TS41016 [0,1,0,0,0,0|2,0,1]=4 480 B11R1.166 CC(=O)c1ccc(cc1O)Cl TS12914 [0,1,0,0,0,0|1,0,1]=3 481 B11R1.166 CC(=O)c1ccc(cc1O)F TS09696 [0,1,0,0,0,0|1,0,1]=3 482 B11R1.166 CC(=O)c1ccc(cc1O)N TS41012 [0,1,0,0,0,0|1,0,1]=3 483 B11R1.166 CC(=O)c1ccc(cc1O)O TS47228 [0,1,0,0,0,0|1,0,1]=3 484 B11R1.166 CC(c1ccc(cc1Cl)Cl)N TS51012 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.166 CC(c1ccc(cc1Cl)Cl)O TS51231 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.166 CC(c1ccc(cc1Cl)F)O TS13594 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.166 CC(c1ccc(cc1F)F)N TS41758 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.166 CN(C)c1ccc(cc1Br)F TS49358 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.166 CN(C)c1ccc(cc1F)Br TS49357 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.166 CN(C)c1ccc(cc1F)F TS41754 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.166 C[C@@H](c1ccc(cc1F)F)N TS17734 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.166 C[C@H](c1ccc(cc1F)F)N TS17732 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.166 Cc1cc(ccc1C(=O)C)Cl TS12615 [0,1,0,0,0,0|2,0,1]=4 494 B11R1.166 Cc1cc(ccc1C(=O)C)F TS09701 [0,1,0,0,0,0|2,0,1]=4 495 B11R1.166 Cc1cc(ccc1C(=O)C)O TS71153 [0,1,0,0,0,0|2,0,1]=4 496 B11R1.166 Cc1cc(ccc1C(C)C)N TS15547 [0,1,0,0,0,0|1,0,0]=2 497 B11R1.166 Cc1cc(ccc1C(C)C)O TS40896 [0,1,0,0,0,0|1,0,0]=2 498 B11R1.166 Cc1cc(ccc1N(C)C)Br TS21624 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.166 Cc1ccc(c(c1)C)C(=O)C TS07457 [0,1,0,0,0,0|2,0,1]=4 500 B11R1.166 Cc1ccc(c(c1)C)C(C)O TS40893 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.166 Cc1ccc(c(c1)C)[C@H](C)N TS07613 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.166 Cc1ccc(c(c1)O)C(=O)C TS40863 [0,1,0,0,0,0|1,0,1]=3 503 B11R1.166 Cc1ccc(c(c1)O)C(=O)N TS40995 [0,1,0,0,0,0|2,0,1]=4 504 B11R1.166 Cc1ccc(c(c1)O)C(=O)O TS39668 [0,1,0,0,0,0|2,0,1]=4 505 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS09913 [0,1,0,0,0,0|0,0,0]=1 506 B11R1.166 Cc1ccc(c(c1)O)C(C)C TS73186 [0,1,0,0,0,0|0,0,0]=1 507 B11R1.166 c1cc(c(cc1Br)F)C(F)F TS52106 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.166 c1cc(c(cc1Br)O)C(=O)O TS70955 [0,1,0,0,0,0|2,0,1]=4 509 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] TS71436 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.166 c1cc(c(cc1Cl)Cl)C(Cl)Cl TS52918 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O TS39488 [0,1,0,0,0,0|2,0,1]=4 512 B11R1.166 c1cc(c(cc1F)Br)C(F)F TS23943 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.166 c1cc(c(cc1F)O)C(=O)O TS09697 [0,1,0,0,0,0|2,0,1]=4 514 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] TS03307 [0,1,0,0,0,0|3,0,0]=4 515 B11R1.166 c1cc(c(cc1I)O)C(=O)O TS65435 [0,1,0,0,0,0|2,0,1]=4 516 B11R1.166 c1cc(c(cc1N)O)C(=O)O TS32624 [0,1,0,0,0,0|2,0,1]=4 517 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS00265 [0,1,0,0,0,0|2,0,1]=4 518 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS45911 [0,1,0,0,0,0|2,0,1]=4 519 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] TS78687 [0,1,0,0,0,0|2,0,1]=4 520 B11R1.166 c1cc(c(cc1O)O)C(=O)N TS10290 [0,1,0,0,0,0|2,0,1]=4 521 B11R1.166 c1cc(c(cc1O)O)C(=O)O TS10385 [0,1,0,0,0,0|2,0,1]=4 522 B11R1.167 B(c1cc(ccc1O)Br)(O)O TS22151 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.167 B(c1cc(ccc1O)Cl)(O)O TS71494 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.167 B(c1cc(ccc1O)F)(O)O TS71537 [0,1,0,0,0,0|3,0,0]=4 525 B11R1.167 CC(=O)c1cc(ccc1Br)Br TS31290 [0,1,0,0,0,0|2,0,1]=4 526 B11R1.167 CC(=O)c1cc(ccc1Br)F TS08814 [0,1,0,0,0,0|2,0,1]=4 527 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl TS47257 [0,1,0,0,0,0|2,0,1]=4 528 B11R1.167 CC(=O)c1cc(ccc1Cl)F TS13263 [0,1,0,0,0,0|2,0,1]=4 529 B11R1.167 CC(=O)c1cc(ccc1Cl)N TS12725 [0,1,0,0,0,0|2,0,1]=4 530 B11R1.167 CC(=O)c1cc(ccc1F)Br TS08178 [0,1,0,0,0,0|2,0,1]=4 531 B11R1.167 CC(=O)c1cc(ccc1F)F TS00671 [0,1,0,0,0,0|2,0,1]=4 532 B11R1.167 CC(=O)c1cc(ccc1F)O TS41349 [0,1,0,0,0,0|2,0,1]=4 533 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [0,1,0,0,0,0|1,0,1]=3 534 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [0,1,0,0,0,0|1,0,1]=3 535 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [0,1,0,0,0,0|1,0,1]=3 536 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [0,1,0,0,0,0|1,0,1]=3 537 B11R1.167 CC(c1cc(ccc1Cl)Cl)N TS16292 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.167 CC(c1cc(ccc1Cl)Cl)O TS65343 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.167 CC(c1cc(ccc1F)Br)O TS22531 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.167 CC(c1cc(ccc1O)Cl)O TS45560 [0,1,0,0,0,0|1,0,0]=2 541 B11R1.167 CC(c1cc(cnc1F)Br)O TS49701 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [0,1,0,0,0,0|2,0,1]=4 544 B11R1.167 Cc1ccc(c(c1)C(=O)N)O TS41004 [0,1,0,0,0,0|2,0,1]=4 545 B11R1.167 Cc1ccc(c(c1)C(=O)O)O TS39669 [0,1,0,0,0,0|2,0,1]=4 546 B11R1.167 Cc1ccc(c(c1)C(C)C)O TS40907 [0,1,0,0,0,0|0,0,0]=1 547 B11R1.167 Cc1ccc(c(c1)C(C)O)C TS40905 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.167 Cc1ccc(c(c1)[C@H](C)N)C TS40774 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])O TS41245 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.167 Cc1ccc(cc1C(C)C)N TS40778 [0,1,0,0,0,0|1,0,0]=2 551 B11R1.167 Cc1ccc(cc1N(C)C)N TS09950 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.167 c1cc(c(cc1Br)C(=O)N)O TS09821 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.167 c1cc(c(cc1Br)C(=O)O)O TS22157 [0,1,0,0,0,0|2,0,1]=4 554 B11R1.167 c1cc(c(cc1Br)C(F)F)F TS52107 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])O TS70969 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O TS39772 [0,1,0,0,0,0|2,0,1]=4 557 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O TS13255 [0,1,0,0,0,0|2,0,1]=4 558 B11R1.167 c1cc(c(cc1Cl)C(F)F)F TS47990 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])O TS45692 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.167 c1cc(c(cc1F)C(=O)O)O TS10648 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])O TS09708 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.167 c1cc(c(cc1I)C(=O)O)O TS29987 [0,1,0,0,0,0|2,0,1]=4 563 B11R1.167 c1cc(c(cc1N)C(=O)O)O TS71390 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.167 c1cc(c(cc1N)C(=O)[O-])O TS45912 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])O TS41334 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.167 c1cc(c(cc1O)C(=O)O)O TS39630 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O TS13772 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])O TS10556 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.222 CC(=NO)c1ccccc1O TS10031 [0,1,0,0,0,0|1,0,1]=3 570 B11R1.222 CCC(=O)c1ccccc1F TS01035 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.222 CCC(=O)c1ccccc1O TS09859 [0,1,0,0,0,0|1,0,1]=3 572 B11R1.222 CCC(C)c1ccccc1N TS40776 [0,1,0,0,0,0|1,0,0]=2 573 B11R1.222 CCC(C)c1ccccc1O TS40906 [0,1,0,0,0,0|0,0,0]=1 574 B11R1.222 CNC(=O)c1ccccc1Br TS44448 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.222 CNC(=O)c1ccccc1N TS00814 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.222 CNC(=O)c1ccccc1O TS41017 [0,1,0,0,0,0|1,0,1]=3 577 B11R1.222 COC(=O)c1c(cccn1)O TS02799 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.222 COC(=O)c1ccccc1Br TS44643 [0,1,0,0,0,0|2,0,1]=4 579 B11R1.222 COC(=O)c1ccccc1Cl TS12913 [0,1,0,0,0,0|2,0,1]=4 580 B11R1.222 COC(=O)c1ccccc1F TS56255 [0,1,0,0,0,0|2,0,1]=4 581 B11R1.222 COC(=O)c1ccccc1I TS29742 [0,1,0,0,0,0|2,0,1]=4 582 B11R1.222 COC(=O)c1ccccc1N TS56313 [0,1,0,0,0,0|2,0,1]=4 583 B11R1.222 COC(=O)c1ccccc1O TS10129 [0,1,0,0,0,0|1,0,1]=3 584 B11R1.222 COC(=O)c1ccccc1S TS44891 [0,1,0,0,0,0|1,1,1]=4 585 B11R1.222 COC(=O)c1cccnc1O TS41251 [0,1,0,0,0,0|2,0,1]=4 586 B11R1.222 COC(=O)c1ccncc1O TS41246 [0,1,0,0,0,0|2,0,1]=4 587 B11R1.222 COC(=O)c1cnccc1O TS16569 [0,1,0,0,0,0|2,0,1]=4 588 B11R1.222 Cc1ccccc1C(=O)NC TS40759 [0,1,0,0,0,0|2,0,1]=4 589 B11R1.222 Cc1ccccc1C(=O)OC TS09866 [0,1,0,0,0,0|2,0,1]=4 590 B11R1.222 c1cc(c(nc1)C(=O)CBr)O TS58699 [0,1,0,0,0,0|2,0,1]=4 591 B11R1.222 c1ccc(c(c1)C(=NO)N)O TS10149 [0,1,0,0,0,0|2,0,1]=4 592 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br TS00854 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl TS08386 [0,1,0,0,0,0|2,0,1]=4 594 B11R1.222 c1ccc(c(c1)C(=O)CBr)F TS01031 [0,1,0,0,0,0|2,0,1]=4 595 B11R1.222 c1ccc(c(c1)C(=O)CBr)O TS44636 [0,1,0,0,0,0|1,0,1]=3 596 B11R1.222 c1ccc(c(c1)C(=O)CCl)N TS08140 [0,1,0,0,0,0|2,0,1]=4 597 B11R1.222 c1ccc(c(c1)C(=O)CN)F TS08266 [0,1,0,0,0,0|2,0,1]=4 598 B11R1.222 c1ccc(c(c1)C(=O)NN)O TS41118 [0,1,0,0,0,0|2,0,1]=4 599 B11R1.222 c1ccc(c(c1)C(=O)NO)O TS22737 [0,1,0,0,0,0|2,0,1]=4 600 B11R1.222 c1ccc(c(c1)C(CN)O)Br TS28393 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.222 c1ccc(c(c1)C(CN)O)Cl TS43394 [0,1,0,0,0,0|2,0,0]=3 602 B11R1.222 c1ccc(c(c1)C(CN)O)F TS51364 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.222 c1ccc(c(c1)C(CN)O)I TS74551 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.222 c1ccc(c(c1)C(CO)N)Cl TS45379 [0,1,0,0,0,0|2,0,0]=3 605 B11R2.1 CC1C=Cc2c1cccc2 TS36509 [0,0,0,1,0,0|1,0,1]=3 606 B11R2.1 CC1CCc2c1nccn2 TS05914 [0,0,0,1,0,0|3,0,0]=4 607 B11R2.1 CC1CNc2c1cccc2 TS05845 [0,0,0,1,0,0|1,0,0]=2 608 B11R2.1 CN1CCc2c1cccc2 TS36778 [0,0,0,1,0,0|2,0,0]=3 609 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [0,0,0,1,0,0|2,0,1]=4 610 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [0,0,0,1,0,0|2,0,1]=4 611 B11R2.1 Cc1c2ccccc2on1 TS36752 [0,0,0,1,0,0|1,0,1]=3 612 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [0,0,0,1,0,0|1,0,2]=4 613 B11R2.1 Cc1coc2c1cccc2 TS36667 [0,0,0,1,0,0|0,0,2]=3 614 B11R2.1 Cc1csc2c1cccc2 TS07495 [0,0,0,1,0,0|0,1,2]=4 615 B11R2.1 Cn1c2ccccc2cn1 TS36679 [0,0,0,1,0,0|3,0,0]=4 616 B11R2.1 Cn1c2ccccc2nn1 TS01810 [0,0,0,1,0,0|3,0,0]=4 617 B11R2.1 Cn1ccc2c1cccc2 TS00492 [0,0,0,1,0,0|2,0,1]=4 618 B11R2.1 Cn1cnc2c1cccc2 TS36688 [0,0,0,1,0,0|2,0,1]=4 619 B11R2.1 c1cc2c(nc1)C(CC2)O TS36915 [0,0,0,1,0,0|3,0,0]=4 620 B11R2.1 c1cc2c(nc1)CCC2N TS59726 [0,0,0,1,0,0|3,0,0]=4 621 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [0,0,0,1,0,0|1,0,1]=3 622 B11R2.1 c1ccc2c(c1)C(CO2)N TS05988 [0,0,0,1,0,0|1,0,0]=2 623 B11R2.1 c1ccc2c(c1)C(CO2)N TS45384 [0,0,0,1,0,0|1,0,0]=2 624 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,0,0,1,0,0|2,0,1]=4 625 B11R2.1 c1ccc2c(c1)CCC2Cl TS41220 [0,0,0,1,0,0|2,0,0]=3 626 B11R2.1 c1ccc2c(c1)CCC2N TS05846 [0,0,0,1,0,0|2,0,0]=3 627 B11R2.1 c1ccc2c(c1)CCC2N TS45061 [0,0,0,1,0,0|2,0,0]=3 628 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [0,0,0,1,0,0|2,0,0]=3 629 B11R2.1 c1ccc2c(c1)CC[C@@H]2N TS36779 [0,0,0,1,0,0|2,0,0]=3 630 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [0,0,0,1,0,0|2,0,0]=3 631 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS01966 [0,0,0,1,0,0|2,0,0]=3 632 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS08065 [0,0,0,1,0,0|2,0,0]=3 633 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [0,0,0,1,0,0|2,0,0]=3 634 B11R2.1 c1ccc2c(c1)c(co2)Br TS18385 [0,0,0,1,0,0|1,0,2]=4 635 B11R2.1 c1ccc2c(c1)c(no2)Cl TS09509 [0,0,0,1,0,0|2,0,1]=4 636 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [0,0,0,1,0,0|2,0,1]=4 637 B11R2.1 c1ccc2c(c1)c(no2)O TS01879 [0,0,0,1,0,0|2,0,1]=4 638 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [0,0,0,0,0,1|2,0,1]=4 639 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [0,0,0,0,0,1|2,0,1]=4 640 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [0,0,0,0,0,1|2,0,1]=4 641 B11R1.86 CC(=O)Nc1c(cccn1)O TS10151 [0,0,0,0,0,1|2,0,1]=4 642 B11R1.86 CC(=O)Nc1ccccc1Br TS44445 [0,0,0,0,0,1|2,0,1]=4 643 B11R1.86 CC(=O)Nc1ccccc1Cl TS12723 [0,0,0,0,0,1|2,0,1]=4 644 B11R1.86 CC(=O)Nc1ccccc1F TS10312 [0,0,0,0,0,1|2,0,1]=4 645 B11R1.86 CC(=O)Nc1ccccc1I TS29620 [0,0,0,0,0,1|2,0,1]=4 646 B11R1.86 CC(=O)Nc1ccccc1N TS09894 [0,0,0,0,0,1|2,0,1]=4 647 B11R1.86 CC(=O)Nc1ccccc1O TS10026 [0,0,0,0,0,1|1,0,1]=3 648 B11R1.86 CC(=O)Oc1ccccc1Cl TS12917 [0,0,0,0,0,1|2,0,1]=4 649 B11R1.86 CC(=O)Oc1ccccc1F TS41353 [0,0,0,0,0,1|2,0,1]=4 650 B11R1.86 CC(C)Cc1ccccc1O TS40918 [0,0,0,0,0,1|0,0,0]=1 651 B11R1.86 CC(C)Nc1c(cccn1)N TS10088 [0,0,0,0,0,1|2,0,0]=3 652 B11R1.86 CC(C)Oc1c(cccn1)I TS29880 [0,0,0,0,0,1|2,0,0]=3 653 B11R1.86 CC(C)Oc1ccccc1Br TS21828 [0,0,0,0,0,1|1,0,0]=2 654 B11R1.86 CC(C)Oc1ccccc1O TS10184 [0,0,0,0,0,1|0,0,0]=1 655 B11R1.86 CN(C)Cc1c(cccn1)O TS10196 [0,0,0,0,0,1|2,0,0]=3 656 B11R1.86 CN(C)Cc1ccccc1Br TS21621 [0,0,0,0,0,1|2,0,0]=3 657 B11R1.86 CN(C)Cc1ccccc1N TS09933 [0,0,0,0,0,1|2,0,0]=3 658 B11R1.86 Cc1c(nccn1)CC(C)C TS09939 [0,0,0,0,0,1|3,0,0]=4 659 B11R1.86 Cc1c(nccn1)OC(C)C TS41161 [0,0,0,0,0,1|3,0,0]=4 660 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [0,0,0,0,0,1|2,0,1]=4 661 B11R1.86 Cc1ccccc1NC(=O)C TS40760 [0,0,0,0,0,1|2,0,1]=4 662 B11R1.86 Cc1ccccc1OC(F)F TS10937 [0,0,0,0,0,1|3,0,0]=4 663 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [0,0,0,0,0,1|2,0,1]=4 664 B11R1.86 c1ccc(c(c1)N)OC(F)F TS08942 [0,0,0,0,0,1|3,0,0]=4 665 B11R1.86 c1ccc(c(c1)O)OC(F)F TS42114 [0,0,0,0,0,1|2,0,0]=3 666 B11R1.86 c1ccc(c(c1)OC(F)F)Br TS50252 [0,0,0,0,0,1|3,0,0]=4 667 B8R0.4 CCCC=CC=CC=O TS36011 [1,0,1,0,0,0|0,0,2]=4 668 B8R0.4 CCCC=CC=CCO TS36154 [1,0,1,0,0,0|0,0,2]=4 669 B8R1.2 C#Cc1ccccc1 TS39865 [2,0,0,0,0,0|0,0,2]=4 670 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|0,0,2]=4 671 B8R1.2 CCC1=CCC=CC1 TS04142 [2,0,0,0,0,0|0,0,2]=4 672 B8R1.2 CC[n+]1ccccc1 TS40125 [2,0,0,0,0,0|1,0,0]=3 673 B8R1.2 CC[n+]1ccccc1 TS50650 [2,0,0,0,0,0|1,0,0]=3 674 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|0,0,0]=2 675 B8R1.2 CCc1ccccn1 TS55316 [2,0,0,0,0,0|1,0,0]=3 676 B8R1.2 CCc1cccnc1 TS04113 [2,0,0,0,0,0|1,0,0]=3 677 B8R1.2 CCc1ccncc1 TS04110 [2,0,0,0,0,0|1,0,0]=3 678 B8R1.2 CCc1cnccn1 TS31774 [2,0,0,0,0,0|2,0,0]=4 679 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|1,0,0]=3 680 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|1,0,0]=3 681 B8R1.2 CNc1ccccn1 TS22814 [2,0,0,0,0,0|2,0,0]=4 682 B8R1.2 CNc1cccnc1 TS09432 [2,0,0,0,0,0|2,0,0]=4 683 B8R1.2 CNc1ccncc1 TS16891 [2,0,0,0,0,0|2,0,0]=4 684 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|1,0,0]=3 685 B8R1.2 COc1ccncc1 TS03163 [2,0,0,0,0,0|2,0,0]=4 686 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|1,0,0]=3 687 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|1,0,0]=3 688 B8R1.2 CSc1ccccn1 TS05101 [2,0,0,0,0,0|2,0,0]=4 689 B8R1.2 CSc1cccnc1 TS05108 [2,0,0,0,0,0|2,0,0]=4 690 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|1,0,0]=3 691 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|0,1,0]=3 692 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [2,0,0,0,0,0|1,0,1]=4 693 B8R1.2 c1cc(cnc1)CBr TS09437 [2,0,0,0,0,0|2,0,0]=4 694 B8R1.2 c1cc(cnc1)CCl TS00113 [2,0,0,0,0,0|2,0,0]=4 695 B8R1.2 c1cc(cnc1)CCl TS02031 [2,0,0,0,0,0|2,0,0]=4 696 B8R1.2 c1cc(cnc1)CI TS49544 [2,0,0,0,0,0|2,0,0]=4 697 B8R1.2 c1cc(cnc1)CI TS64566 [2,0,0,0,0,0|2,0,0]=4 698 B8R1.2 c1cc(cnc1)CN TS02883 [2,0,0,0,0,0|2,0,0]=4 699 B8R1.2 c1cc(cnc1)CO TS92960 [2,0,0,0,0,0|2,0,0]=4 700 B8R1.2 c1cc(cnc1)CO TS93835 [2,0,0,0,0,0|2,0,0]=4 701 B8R1.2 c1ccc(cc1)C#N TS01882 [2,0,0,0,0,0|1,0,1]=4 702 B8R1.2 c1ccc(cc1)C#N TS80489 [2,0,0,0,0,0|1,0,1]=4 703 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|1,0,1]=4 704 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|1,0,0]=3 705 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|1,0,0]=3 706 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|1,0,0]=3 707 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|1,0,0]=3 708 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|1,0,0]=3 709 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|1,0,0]=3 710 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|1,0,0]=3 711 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|2,0,0]=4 712 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|2,0,0]=4 713 B8R1.2 c1ccc(cc1)NN TS07047 [2,0,0,0,0,0|2,0,0]=4 714 B8R1.2 c1ccc(cc1)NN TS31771 [2,0,0,0,0,0|2,0,0]=4 715 B8R1.2 c1ccc(cc1)NN TS61145 [2,0,0,0,0,0|2,0,0]=4 716 B8R1.2 c1ccc(cc1)NN TS76102 [2,0,0,0,0,0|2,0,0]=4 717 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|2,0,0]=4 718 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|2,0,0]=4 719 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|2,0,0]=4 720 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [2,0,0,0,0,0|2,0,0]=4 721 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [2,0,0,0,0,0|2,0,0]=4 722 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [2,0,0,0,0,0|2,0,0]=4 723 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [2,0,0,0,0,0|2,0,0]=4 724 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [2,0,0,0,0,0|2,0,0]=4 725 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [2,0,0,0,0,0|2,0,0]=4 726 B8R1.2 c1ccnc(c1)CBr TS47083 [2,0,0,0,0,0|2,0,0]=4 727 B8R1.2 c1ccnc(c1)CCl TS47089 [2,0,0,0,0,0|2,0,0]=4 728 B8R1.2 c1ccnc(c1)CCl TS47090 [2,0,0,0,0,0|2,0,0]=4 729 B8R1.2 c1ccnc(c1)CN TS00811 [2,0,0,0,0,0|2,0,0]=4 730 B8R1.2 c1ccnc(c1)CO TS07144 [2,0,0,0,0,0|2,0,0]=4 731 B8R1.2 c1ccnc(c1)CO TS31798 [2,0,0,0,0,0|2,0,0]=4 732 B8R1.2 c1ccnc(c1)CS TS05100 [2,0,0,0,0,0|2,0,0]=4 733 B8R1.2 c1cnccc1CBr TS39318 [2,0,0,0,0,0|2,0,0]=4 734 B8R1.2 c1cnccc1CCl TS16903 [2,0,0,0,0,0|2,0,0]=4 735 B8R1.2 c1cnccc1CN TS31773 [2,0,0,0,0,0|2,0,0]=4 736 B8R1.2 c1cnccc1CO TS07149 [2,0,0,0,0,0|2,0,0]=4 737 B8R1.2 c1cnccc1CO TS71297 [2,0,0,0,0,0|2,0,0]=4 738 B8R1.5 C[n+]1ccccc1Cl TS08381 [2,0,0,0,0,0|2,0,0]=4 739 B8R1.5 C[n+]1ccccc1Cl TS20654 [2,0,0,0,0,0|2,0,0]=4 740 B8R1.5 Cc1c(cccn1)Br TS65908 [2,0,0,0,0,0|2,0,0]=4 741 B8R1.5 Cc1c(cccn1)Cl TS65978 [2,0,0,0,0,0|2,0,0]=4 742 B8R1.5 Cc1c(cccn1)F TS70573 [2,0,0,0,0,0|2,0,0]=4 743 B8R1.5 Cc1c(cccn1)I TS02809 [2,0,0,0,0,0|2,0,0]=4 744 B8R1.5 Cc1c(cccn1)N TS31778 [2,0,0,0,0,0|2,0,0]=4 745 B8R1.5 Cc1c(cccn1)O TS87617 [2,0,0,0,0,0|1,0,0]=3 746 B8R1.5 Cc1c(nccn1)O TS55386 [2,0,0,0,0,0|2,0,0]=4 747 B8R1.5 Cc1ccc[nH]c1=O TS55401 [2,0,0,0,0,0|1,0,1]=4 748 B8R1.5 Cc1cccc[n+]1C TS25681 [2,0,0,0,0,0|2,0,0]=4 749 B8R1.5 Cc1ccccc1Br TS00024 [2,0,0,0,0,0|1,0,0]=3 750 B8R1.5 Cc1ccccc1C TS04099 [2,0,0,0,0,0|1,0,0]=3 751 B8R1.5 Cc1ccccc1Cl TS36192 [2,0,0,0,0,0|1,0,0]=3 752 B8R1.5 Cc1ccccc1F TS31828 [2,0,0,0,0,0|1,0,0]=3 753 B8R1.5 Cc1ccccc1I TS49343 [2,0,0,0,0,0|1,0,0]=3 754 B8R1.5 Cc1ccccc1N TS40130 [2,0,0,0,0,0|1,0,0]=3 755 B8R1.5 Cc1ccccc1N TS46845 [2,0,0,0,0,0|1,0,0]=3 756 B8R1.5 Cc1ccccc1O TS31768 [2,0,0,0,0,0|0,0,0]=2 757 B8R1.5 Cc1ccccc1S TS05037 [2,0,0,0,0,0|0,1,0]=3 758 B8R1.5 Cc1ccccn1=O TS00106 [2,0,0,0,0,0|1,0,1]=4 759 B8R1.5 Cc1cccnc1Br TS08310 [2,0,0,0,0,0|2,0,0]=4 760 B8R1.5 Cc1cccnc1C TS07903 [2,0,0,0,0,0|2,0,0]=4 761 B8R1.5 Cc1cccnc1Cl TS55203 [2,0,0,0,0,0|2,0,0]=4 762 B8R1.5 Cc1cccnc1F TS08402 [2,0,0,0,0,0|2,0,0]=4 763 B8R1.5 Cc1cccnc1I TS01069 [2,0,0,0,0,0|2,0,0]=4 764 B8R1.5 Cc1cccnc1N TS00720 [2,0,0,0,0,0|2,0,0]=4 765 B8R1.5 Cc1cccnc1N TS01794 [2,0,0,0,0,0|2,0,0]=4 766 B8R1.5 Cc1cccnc1O TS31800 [2,0,0,0,0,0|1,0,0]=3 767 B8R1.5 Cc1cccnc1[Zn+] TS26092 [2,0,0,0,0,0|2,0,0]=4 768 B8R1.5 Cc1ccncc1Br TS09458 [2,0,0,0,0,0|2,0,0]=4 769 B8R1.5 Cc1ccncc1C TS00124 [2,0,0,0,0,0|2,0,0]=4 770 B8R1.5 Cc1ccncc1Cl TS65986 [2,0,0,0,0,0|2,0,0]=4 771 B8R1.5 Cc1ccncc1F TS70582 [2,0,0,0,0,0|2,0,0]=4 772 B8R1.5 Cc1ccncc1N TS02641 [2,0,0,0,0,0|2,0,0]=4 773 B8R1.5 Cc1ccncc1O TS03183 [2,0,0,0,0,0|1,0,0]=3 774 B8R1.5 Cc1cnccc1Br TS39326 [2,0,0,0,0,0|2,0,0]=4 775 B8R1.5 Cc1cnccc1Br TS88793 [2,0,0,0,0,0|2,0,0]=4 776 B8R1.5 Cc1cnccc1F TS71122 [2,0,0,0,0,0|2,0,0]=4 777 B8R1.5 Cc1cnccc1N TS70892 [2,0,0,0,0,0|2,0,0]=4 778 B8R1.5 Cc1cnccc1O TS70666 [2,0,0,0,0,0|1,0,0]=3 779 B8R1.5 Cc1cncnc1O TS59515 [2,0,0,0,0,0|2,0,0]=4 780 B8R1.5 Cn1ccccc1=O TS31799 [2,0,0,0,0,0|1,0,1]=4 781 B8R1.5 Cn1ccccc1=S TS05102 [2,0,0,0,0,0|1,1,0]=4 782 B8R1.5 c1cc(c(=O)oc1)O TS00155 [2,0,0,0,0,0|2,0,0]=4 783 B8R1.5 c1cc(c(nc1)Br)O TS08304 [2,0,0,0,0,0|2,0,0]=4 784 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [2,0,0,0,0,0|2,0,0]=4 785 B8R1.5 c1cc(c(nc1)F)O TS55326 [2,0,0,0,0,0|2,0,0]=4 786 B8R1.5 c1cc(c(nc1)I)O TS01068 [2,0,0,0,0,0|2,0,0]=4 787 B8R1.5 c1cc(c(nc1)N)O TS07282 [2,0,0,0,0,0|2,0,0]=4 788 B8R1.5 c1cc(c(nc1)N)O TS47366 [2,0,0,0,0,0|2,0,0]=4 789 B8R1.5 c1cc(c(nc1)O)Br TS09496 [2,0,0,0,0,0|2,0,0]=4 790 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [2,0,0,0,0,0|2,0,0]=4 791 B8R1.5 c1cc(c(nc1)O)F TS70564 [2,0,0,0,0,0|2,0,0]=4 792 B8R1.5 c1cc(c(nc1)O)N TS31820 [2,0,0,0,0,0|2,0,0]=4 793 B8R1.5 c1cc(c(nc1)O)O TS04242 [2,0,0,0,0,0|2,0,0]=4 794 B8R1.5 c1cc(c(nc1)S)O TS05265 [2,0,0,0,0,0|2,0,0]=4 795 B8R1.5 c1cc[n+](c(c1)O)[O-] TS93221 [2,0,0,0,0,0|2,0,0]=4 796 B8R1.5 c1ccc(c(c1)Br)Br TS46780 [2,0,0,0,0,0|2,0,0]=4 797 B8R1.5 c1ccc(c(c1)Br)I TS65287 [2,0,0,0,0,0|2,0,0]=4 798 B8R1.5 c1ccc(c(c1)Cl)Br TS00021 [2,0,0,0,0,0|2,0,0]=4 799 B8R1.5 c1ccc(c(c1)Cl)Cl TS40486 [2,0,0,0,0,0|2,0,0]=4 800 B8R1.5 c1ccc(c(c1)Cl)I TS26261 [2,0,0,0,0,0|2,0,0]=4 801 B8R1.5 c1ccc(c(c1)Cl)[Zn+] TS59237 [2,0,0,0,0,0|2,0,0]=4 802 B8R1.5 c1ccc(c(c1)F)Br TS46916 [2,0,0,0,0,0|2,0,0]=4 803 B8R1.5 c1ccc(c(c1)F)Cl TS02147 [2,0,0,0,0,0|2,0,0]=4 804 B8R1.5 c1ccc(c(c1)F)F TS07875 [2,0,0,0,0,0|2,0,0]=4 805 B8R1.5 c1ccc(c(c1)F)I TS65430 [2,0,0,0,0,0|2,0,0]=4 806 B8R1.5 c1ccc(c(c1)F)S TS46406 [2,0,0,0,0,0|1,1,0]=4 807 B8R1.5 c1ccc(c(c1)I)I TS65275 [2,0,0,0,0,0|2,0,0]=4 808 B8R1.5 c1ccc(c(c1)N)Br TS20655 [2,0,0,0,0,0|2,0,0]=4 809 B8R1.5 c1ccc(c(c1)N)Br TS55149 [2,0,0,0,0,0|2,0,0]=4 810 B8R1.5 c1ccc(c(c1)N)F TS39663 [2,0,0,0,0,0|2,0,0]=4 811 B8R1.5 c1ccc(c(c1)N)I TS01078 [2,0,0,0,0,0|2,0,0]=4 812 B8R1.5 c1ccc(c(c1)N)N TS31770 [2,0,0,0,0,0|2,0,0]=4 813 B8R1.5 c1ccc(c(c1)N)N TS38979 [2,0,0,0,0,0|2,0,0]=4 814 B8R1.5 c1ccc(c(c1)N)N TS48029 [2,0,0,0,0,0|2,0,0]=4 815 B8R1.5 c1ccc(c(c1)N)O TS00817 [2,0,0,0,0,0|1,0,0]=3 816 B8R1.5 c1ccc(c(c1)N)O TS07143 [2,0,0,0,0,0|1,0,0]=3 817 B8R1.5 c1ccc(c(c1)N)O TS76832 [2,0,0,0,0,0|1,0,0]=3 818 B8R1.5 c1ccc(c(c1)N)S TS47467 [2,0,0,0,0,0|1,1,0]=4 819 B8R1.5 c1ccc(c(c1)O)Br TS00855 [2,0,0,0,0,0|1,0,0]=3 820 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [2,0,0,0,0,0|1,0,0]=3 821 B8R1.5 c1ccc(c(c1)O)F TS04282 [2,0,0,0,0,0|1,0,0]=3 822 B8R1.5 c1ccc(c(c1)O)I TS49691 [2,0,0,0,0,0|1,0,0]=3 823 B8R1.5 c1ccc(c(c1)O)O TS01670 [2,0,0,0,0,0|1,0,0]=3 824 B8R1.5 c1ccc(c(c1)O)S TS36136 [2,0,0,0,0,0|1,0,0]=3 825 B8R1.5 c1ccc(c(c1)P)P TS06642 [2,0,0,0,0,0|2,0,0]=4 826 B8R1.5 c1ccc(c(c1)S)Br TS50856 [2,0,0,0,0,0|1,1,0]=4 827 B8R1.5 c1ccc(c(c1)S)Cl TS07050 [2,0,0,0,0,0|1,1,0]=4 828 B8R1.5 c1ccc(c(c1)S)S TS06772 [2,0,0,0,0,0|1,1,0]=4 829 B8R1.5 c1ccn(=O)c(c1)O TS04239 [2,0,0,0,0,0|2,0,0]=4 830 B8R1.5 c1cncc(c1Br)O TS09582 [2,0,0,0,0,0|2,0,0]=4 831 B8R1.5 c1cncc(c1Cl)O TS09640 [2,0,0,0,0,0|2,0,0]=4 832 B8R1.5 c1cncc(c1O)Br TS09465 [2,0,0,0,0,0|2,0,0]=4 833 B8R1.5 c1cncc(c1O)Cl TS02695 [2,0,0,0,0,0|2,0,0]=4 834 B8R1.5 c1cncc(c1O)F TS02748 [2,0,0,0,0,0|2,0,0]=4 835 B8R1.5 c1cncc(c1O)N TS65860 [2,0,0,0,0,0|2,0,0]=4 836 B8R1.5 c1cncc(c1O)O TS59374 [2,0,0,0,0,0|2,0,0]=4 837 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,1,0,0,0,0|0,0,2]=4 838 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [1,1,0,0,0,0|0,0,2]=4 839 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,1,0,0,0,0|1,0,1]=4 841 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,1,0,0,0,0|1,0,1]=4 842 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,1,0,0,0,0|1,0,1]=4 843 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,1,0,0,0,0|1,0,1]=4 844 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [1,1,0,0,0,0|0,0,0]=2 845 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [1,1,0,0,0,0|0,0,0]=2 846 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [1,1,0,0,0,0|0,0,0]=2 847 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [1,1,0,0,0,0|0,0,0]=2 848 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [1,1,0,0,0,0|0,0,0]=2 849 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [1,1,0,0,0,0|0,0,0]=2 850 B10R1.13 CC(C)c1ccc(cn1)N TS88530 [1,1,0,0,0,0|1,0,0]=3 851 B10R1.13 CC(C)c1ccc(cn1)O TS06186 [1,1,0,0,0,0|1,0,0]=3 852 B10R1.13 CC(C)c1cnc(nc1)N TS71578 [1,1,0,0,0,0|2,0,0]=4 853 B10R1.13 CC(C)c1ncc(cn1)Br TS88647 [1,1,0,0,0,0|2,0,0]=4 854 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [1,1,0,0,0,0|1,0,0]=3 855 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [1,1,0,0,0,0|1,0,0]=3 857 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [1,1,0,0,0,0|1,0,0]=3 858 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [1,1,0,0,0,0|1,0,0]=3 859 B10R1.13 CC(c1ccc(cn1)F)N TS89780 [1,1,0,0,0,0|2,0,0]=4 860 B10R1.13 CC1=CCC(C=C1)C(C)C TS37056 [1,1,0,0,0,0|0,0,2]=4 861 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C TS37050 [1,1,0,0,0,0|0,0,2]=4 862 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [1,1,0,0,0,0|1,0,0]=3 863 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [1,1,0,0,0,0|1,0,0]=3 864 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [1,1,0,0,0,0|1,0,0]=3 865 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [1,1,0,0,0,0|1,0,0]=3 866 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [1,1,0,0,0,0|1,0,0]=3 867 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [1,1,0,0,0,0|1,0,0]=3 868 B10R1.13 CN(C)c1ccc(cn1)N TS43731 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.13 CN(C)c1ccc(cn1)N TS90829 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [1,1,0,0,0,0|1,0,0]=3 874 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [1,1,0,0,0,0|1,0,0]=3 875 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [1,1,0,0,0,0|1,0,0]=3 876 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [1,1,0,0,0,0|1,0,0]=3 877 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [1,1,0,0,0,0|1,0,0]=3 878 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [1,1,0,0,0,0|1,0,0]=3 879 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [1,1,0,0,0,0|1,0,0]=3 880 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [1,1,0,0,0,0|1,0,0]=3 881 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [1,1,0,0,0,0|1,0,0]=3 882 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [1,1,0,0,0,0|1,0,0]=3 883 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [1,1,0,0,0,0|1,0,0]=3 884 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [1,1,0,0,0,0|1,0,0]=3 885 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [1,1,0,0,0,0|0,0,2]=4 886 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,1,0,0,0,0|1,0,1]=4 887 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [1,1,0,0,0,0|0,0,0]=2 888 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [1,1,0,0,0,0|0,0,0]=2 889 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [1,1,0,0,0,0|1,0,0]=3 890 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [1,1,0,0,0,0|1,0,0]=3 891 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [1,1,0,0,0,0|2,0,0]=4 892 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [1,1,0,0,0,0|1,0,0]=3 893 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [1,1,0,0,0,0|2,0,0]=4 894 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [1,1,0,0,0,0|1,0,0]=3 896 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [1,1,0,0,0,0|1,0,0]=3 897 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [1,1,0,0,0,0|1,0,0]=3 898 B10R1.13 Cc1ccc(nc1)C(C)N TS37026 [1,1,0,0,0,0|2,0,0]=4 899 B10R1.13 c1cc(ccc1C(Cl)Cl)Cl TS52070 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.13 c1cc(ccc1C(Cl)Cl)F TS47663 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.13 c1cc(ccc1C(F)F)Br TS00409 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.15 C#CC(c1ccccc1)O TS36663 [1,1,0,0,0,0|1,0,1]=4 903 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [1,1,0,0,0,0|1,0,1]=4 904 B10R1.15 C=CC(c1ccccc1)O TS36829 [1,1,0,0,0,0|1,0,1]=4 905 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [1,1,0,0,0,0|1,0,1]=4 906 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [1,1,0,0,0,0|1,0,1]=4 907 B10R1.15 CC(=NN)c1ccccc1 TS05912 [1,1,0,0,0,0|1,0,1]=4 908 B10R1.15 CC(=NO)c1ccccc1 TS36930 [1,1,0,0,0,0|1,0,1]=4 909 B10R1.15 CC(CBr)c1ccccc1 TS54166 [1,1,0,0,0,0|0,0,0]=2 910 B10R1.15 CC(CN)c1ccccc1 TS36949 [1,1,0,0,0,0|0,0,0]=2 911 B10R1.15 CC(CO)c1ccccc1 TS06093 [1,1,0,0,0,0|0,0,0]=2 912 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [1,1,0,0,0,0|0,0,1]=3 913 B10R1.15 CC=C(C)c1ccccc1 TS36697 [1,1,0,0,0,0|0,0,1]=3 914 B10R1.15 CCC(=C)c1ccccc1 TS36703 [1,1,0,0,0,0|0,0,2]=4 915 B10R1.15 CCC(=O)c1ccccc1 TS00059 [1,1,0,0,0,0|1,0,1]=4 916 B10R1.15 CCC(C)c1ccccc1 TS36864 [1,1,0,0,0,0|0,0,0]=2 917 B10R1.15 CCC(C)c1cnccn1 TS37025 [1,1,0,0,0,0|2,0,0]=4 918 B10R1.15 CCC(c1ccccc1)N TS36947 [1,1,0,0,0,0|1,0,0]=3 919 B10R1.15 CCC(c1ccccc1)O TS37007 [1,1,0,0,0,0|1,0,0]=3 920 B10R1.15 CCC(c1ccncc1)N TS06101 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.15 CCN(C)c1ccccc1 TS36948 [1,1,0,0,0,0|1,0,0]=3 922 B10R1.15 CCN(c1ccccc1)N TS06110 [1,1,0,0,0,0|2,0,0]=4 923 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [1,1,0,0,0,0|1,0,0]=3 924 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [1,1,0,0,0,0|1,0,0]=3 925 B10R1.15 CN(C=O)c1ccccc1 TS36925 [1,1,0,0,0,0|1,0,1]=4 926 B10R1.15 CN(c1ccccc1)N=O TS06063 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.15 CNC(=O)c1ccccc1 TS01597 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.15 COC(=N)c1ccccc1 TS45386 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.15 COC(=O)c1ccccc1 TS00163 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.15 COS(=O)c1ccccc1 TS10693 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [1,1,0,0,0,0|0,0,0]=2 932 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [1,1,0,0,0,0|0,0,0]=2 933 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [1,1,0,0,0,0|0,0,0]=2 934 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [1,1,0,0,0,0|1,0,0]=3 935 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [1,1,0,0,0,0|0,0,0]=2 936 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [1,1,0,0,0,0|0,0,0]=2 937 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [1,1,0,0,0,0|0,0,0]=2 938 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [1,1,0,0,0,0|0,0,0]=2 939 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [1,1,0,0,0,0|1,0,0]=3 940 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [1,1,0,0,0,0|0,0,1]=3 941 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [1,1,0,0,0,0|2,0,0]=4 943 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [1,1,0,0,0,0|1,0,1]=4 944 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [1,1,0,0,0,0|1,0,1]=4 945 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [1,1,0,0,0,0|1,0,1]=4 946 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [1,1,0,0,0,0|1,0,1]=4 947 B10R1.15 c1ccc(cc1)C(C#N)Br TS18169 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [1,1,0,0,0,0|1,0,0]=3 950 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [1,1,0,0,0,0|1,0,0]=3 951 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [1,1,0,0,0,0|1,0,0]=3 952 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [1,1,0,0,0,0|1,0,0]=3 953 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [1,1,0,0,0,0|1,0,0]=3 954 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [1,1,0,0,0,0|1,0,0]=3 955 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [1,1,0,0,0,0|1,0,0]=3 956 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [1,1,0,0,0,0|1,0,0]=3 957 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [1,1,0,0,0,0|2,0,0]=4 958 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [1,1,0,0,0,0|1,0,0]=3 959 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [1,1,0,0,0,0|1,0,0]=3 960 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [1,1,0,0,0,0|1,0,0]=3 961 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [1,1,0,0,0,0|1,0,0]=3 962 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [1,1,0,0,0,0|1,0,0]=3 964 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [1,1,0,0,0,0|1,0,0]=3 965 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [1,1,0,0,0,0|1,0,0]=3 966 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [1,1,0,0,0,0|1,0,0]=3 967 B10R1.15 c1cnccc1C(CN)O TS43948 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.28 CC(C)(C)c1ccccc1 TS36860 [1,1,0,0,0,0|0,0,0]=2 969 B10R1.28 CC(C)(C)c1ccccn1 TS06013 [1,1,0,0,0,0|1,0,0]=3 970 B10R1.28 CC(C)(C)c1ccncc1 TS02251 [1,1,0,0,0,0|1,0,0]=3 971 B10R1.28 CC(C)(C)c1cnccn1 TS37029 [1,1,0,0,0,0|2,0,0]=4 972 B10R1.28 CC(C)(c1ccccc1)Cl TS55727 [1,1,0,0,0,0|0,0,0]=2 973 B10R1.28 CC(C)(c1ccccc1)N TS01396 [1,1,0,0,0,0|0,0,0]=2 974 B10R1.28 CC(C)(c1ccccc1)O TS37014 [1,1,0,0,0,0|0,0,0]=2 975 B10R1.28 CC(C)(c1ccccc1)S TS41195 [1,1,0,0,0,0|0,0,0]=2 976 B10R1.28 CC(C)(c1ccccn1)O TS37126 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.28 CC(C)(c1cccnc1)N TS06108 [1,1,0,0,0,0|1,0,0]=3 978 B10R1.28 CC(C)(c1ccncc1)O TS37127 [1,1,0,0,0,0|1,0,0]=3 979 B10R1.28 CP(=O)(c1ccccc1)O TS10652 [1,1,0,0,0,0|2,0,0]=4 980 B10R1.28 CS(=N)(=O)c1ccccc1 TS10592 [1,1,0,0,0,0|2,0,0]=4 981 B10R1.28 CS(=N)(=O)c1ccccc1 TS10595 [1,1,0,0,0,0|2,0,0]=4 982 B10R1.28 CS(=O)(=O)c1ccccc1 TS10691 [1,1,0,0,0,0|2,0,0]=4 983 B10R1.28 C[Ge](C)(C)c1ccccc1 TS17979 [1,1,0,0,0,0|0,1,0]=3 984 B10R1.28 C[Ge](C)(c1ccccc1)Cl TS44679 [1,1,0,0,0,0|0,1,0]=3 985 B10R1.28 C[N+](C)(C)c1ccccc1 TS13087 [1,1,0,0,0,0|1,0,0]=3 986 B10R1.28 C[N+](C)(C)c1ccccc1 TS21988 [1,1,0,0,0,0|1,0,0]=3 987 B10R1.28 C[N+](C)(C)c1ccccc1 TS27630 [1,1,0,0,0,0|1,0,0]=3 988 B10R1.28 C[N+](C)(C)c1ccccc1 TS41300 [1,1,0,0,0,0|1,0,0]=3 989 B10R1.28 C[Si](C)(C)c1ccccc1 TS40935 [1,1,0,0,0,0|0,1,0]=3 990 B10R1.28 C[Si](C)(C)c1ccccn1 TS39243 [1,1,0,0,0,0|1,1,0]=4 991 B10R1.28 C[Si](C)(c1ccccc1)Cl TS12944 [1,1,0,0,0,0|0,1,0]=3 992 B10R1.28 C[Si](C)(c1ccccc1)F TS41455 [1,1,0,0,0,0|0,1,0]=3 993 B10R1.28 C[Sn](C)(C)c1ccccc1 TS57483 [1,1,0,0,0,0|1,0,0]=3 994 B10R1.28 C[Sn](C)(C)c1ccccn1 TS57632 [1,1,0,0,0,0|2,0,0]=4 995 B10R1.28 C[Sn](C)(C)c1ccncc1 TS57631 [1,1,0,0,0,0|2,0,0]=4 996 B10R1.28 c1ccc(cc1)C(Cl)(Cl)Cl TS52078 [1,1,0,0,0,0|2,0,0]=4 997 B10R1.28 c1ccc(cc1)C(F)(F)F TS40366 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [1,1,0,0,0,0|1,0,1]=4 999 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [1,1,0,0,0,0|1,0,1]=4 1000 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [1,1,0,0,0,0|1,0,1]=4 1001 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [1,1,0,0,0,0|1,0,1]=4 1002 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [1,1,0,0,0,0|1,0,1]=4 1003 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [1,1,0,0,0,0|1,0,1]=4 1004 B10R1.113 CC(C)c1cccc(c1)Br TS54165 [1,1,0,0,0,0|0,0,0]=2 1005 B10R1.113 CC(C)c1cccc(c1)N TS36962 [1,1,0,0,0,0|0,0,0]=2 1006 B10R1.113 CC(C)c1cccc(c1)O TS06076 [1,1,0,0,0,0|0,0,0]=2 1007 B10R1.113 CC(C)c1cccc(n1)Cl TS55266 [1,1,0,0,0,0|1,0,0]=3 1008 B10R1.113 CC(C)c1cccc(n1)N TS01246 [1,1,0,0,0,0|1,0,0]=3 1009 B10R1.113 CC(c1cccc(c1)Br)N TS37847 [1,1,0,0,0,0|1,0,0]=3 1010 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [1,1,0,0,0,0|1,0,0]=3 1011 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [1,1,0,0,0,0|1,0,0]=3 1012 B10R1.113 CC(c1cccc(c1)F)N TS37298 [1,1,0,0,0,0|1,0,0]=3 1013 B10R1.113 CC(c1cccc(c1)F)O TS37373 [1,1,0,0,0,0|1,0,0]=3 1014 B10R1.113 CC(c1cccc(c1)N)N TS37034 [1,1,0,0,0,0|1,0,0]=3 1015 B10R1.113 CC(c1cccc(c1)N)O TS37125 [1,1,0,0,0,0|1,0,0]=3 1016 B10R1.113 CN(C)c1cccc(c1)Br TS37848 [1,1,0,0,0,0|1,0,0]=3 1017 B10R1.113 CN(C)c1cccc(c1)Cl TS10632 [1,1,0,0,0,0|1,0,0]=3 1018 B10R1.113 CN(C)c1cccc(c1)N TS20698 [1,1,0,0,0,0|1,0,0]=3 1019 B10R1.113 CN(C)c1cccc(c1)O TS06190 [1,1,0,0,0,0|1,0,0]=3 1020 B10R1.113 CN(C)c1cccc(c1)S TS10347 [1,1,0,0,0,0|1,0,0]=3 1021 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [1,1,0,0,0,0|1,0,0]=3 1022 B10R1.113 C[C@@H](c1cccc(c1)Cl)N TS08102 [1,1,0,0,0,0|1,0,0]=3 1023 B10R1.113 C[C@@H](c1cccc(c1)F)N TS08103 [1,1,0,0,0,0|1,0,0]=3 1024 B10R1.113 C[C@@H](c1cccc(c1)F)N TS13761 [1,1,0,0,0,0|1,0,0]=3 1025 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [1,1,0,0,0,0|1,0,0]=3 1026 B10R1.113 C[C@H](c1cccc(c1)Cl)N TS46592 [1,1,0,0,0,0|1,0,0]=3 1027 B10R1.113 C[C@H](c1cccc(c1)F)N TS46593 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.113 C[C@H](c1cccc(c1)N)N TS06099 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [1,1,0,0,0,0|1,0,1]=4 1030 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [1,1,0,0,0,0|1,0,0]=3 1031 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [1,1,0,0,0,0|1,0,0]=3 1032 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [1,1,0,0,0,0|2,0,0]=4 1033 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [1,1,0,0,0,0|1,0,0]=3 1034 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.113 Cc1cccc(n1)C(C)N TS06109 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.113 Cc1ccnc(c1)C(C)N TS37022 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.113 c1cc(cc(c1)Br)C(F)F TS59897 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.113 c1cc(cc(c1)Cl)C(Br)Br TS34768 [1,1,0,0,0,0|2,0,0]=4 1039 B10R1.113 c1cc(cc(c1)Cl)C(Cl)Cl TS52076 [1,1,0,0,0,0|2,0,0]=4 1040 B10R1.113 c1cc(cc(c1)F)C(Br)Br TS30471 [1,1,0,0,0,0|2,0,0]=4 1041 B10R1.113 c1cc(cc(c1)F)C(Cl)Cl TS47665 [1,1,0,0,0,0|2,0,0]=4 1042 B10R1.2 CCc1c(c(=O)cco1)O TS37337 [1,1,0,0,0,0|1,0,0]=3 1043 B10R1.2 CCc1cccc(c1C)C TS36862 [1,1,0,0,0,0|1,0,0]=3 1044 B10R1.2 CCc1cccc(c1O)C TS06085 [1,1,0,0,0,0|0,0,0]=2 1045 B10R1.2 COc1cccc(c1Br)F TS08297 [1,1,0,0,0,0|2,0,0]=4 1046 B10R1.2 COc1cccc(c1Br)N TS39650 [1,1,0,0,0,0|2,0,0]=4 1047 B10R1.2 COc1cccc(c1Br)O TS38374 [1,1,0,0,0,0|2,0,0]=4 1048 B10R1.2 COc1cccc(c1Cl)Cl TS85190 [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.2 COc1cccc(c1Cl)N TS55195 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.2 COc1cccc(c1F)Br TS65479 [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.2 COc1cccc(c1F)Cl TS42232 [1,1,0,0,0,0|2,0,0]=4 1052 B10R1.2 COc1cccc(c1F)F TS02338 [1,1,0,0,0,0|2,0,0]=4 1053 B10R1.2 COc1cccc(c1F)O TS37550 [1,1,0,0,0,0|2,0,0]=4 1054 B10R1.2 COc1cccc(c1I)F TS09365 [1,1,0,0,0,0|2,0,0]=4 1055 B10R1.2 COc1cccc(c1N)F TS55365 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.2 COc1cccc(c1O)Br TS87716 [1,1,0,0,0,0|1,0,0]=3 1057 B10R1.2 COc1cccc(c1O)F TS65426 [1,1,0,0,0,0|1,0,0]=3 1058 B10R1.2 COc1cccc(c1O)O TS60018 [1,1,0,0,0,0|1,0,0]=3 1059 B10R1.2 Cc1c(cccc1Cl)OC TS09315 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.2 Cc1c(cccc1Cl)SC TS13276 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.2 Cc1c(cccc1F)CO TS09370 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.2 Cc1c(cccc1N)CO TS37119 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.2 Cc1c(cccc1OC)N TS70644 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.2 Cc1cccc(c1C)CBr TS46745 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.2 Cc1cccc(c1C)CCl TS41469 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.2 Cc1cccc(c1C)CN TS36950 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.2 Cc1cccc(c1C)CO TS37020 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.2 Cc1cccc(c1C)OC TS02345 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.2 Cc1cccc(c1F)CBr TS09289 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.2 Cc1cccc(c1N)OC TS01100 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.2 Cc1cccc(c1O)C=O TS36989 [1,1,0,0,0,0|1,0,1]=4 1072 B10R1.2 Cc1cccc(c1O)OC TS55384 [1,1,0,0,0,0|1,0,0]=3 1073 B10R1.2 c1cc(c(c(c1)Br)O)C#N TS86717 [1,1,0,0,0,0|1,0,1]=4 1074 B10R1.2 c1cc(c(c(c1)Br)O)C=O TS65902 [1,1,0,0,0,0|1,0,1]=4 1075 B10R1.2 c1cc(c(c(c1)Cl)Cl)CBr TS07691 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.2 c1cc(c(c(c1)Cl)Cl)CCl TS52077 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN TS47151 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.2 c1cc(c(c(c1)Cl)Cl)CO TS02329 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.2 c1cc(c(c(c1)Cl)F)CBr TS16732 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.2 c1cc(c(c(c1)Cl)F)CN TS11185 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.2 c1cc(c(c(c1)Cl)F)CO TS42233 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.2 c1cc(c(c(c1)Cl)O)C=O TS10793 [1,1,0,0,0,0|1,0,1]=4 1083 B10R1.2 c1cc(c(c(c1)F)Cl)CBr TS08826 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.2 c1cc(c(c(c1)F)F)CBr TS08794 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.2 c1cc(c(c(c1)F)F)CCl TS02340 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.2 c1cc(c(c(c1)F)F)CN TS00557 [1,1,0,0,0,0|2,0,0]=4 1087 B10R1.2 c1cc(c(c(c1)F)F)CO TS02339 [1,1,0,0,0,0|2,0,0]=4 1088 B10R1.2 c1cc(c(c(c1)F)O)C=O TS02771 [1,1,0,0,0,0|1,0,1]=4 1089 B10R1.2 c1cc(c(c(c1)I)O)C=O TS27692 [1,1,0,0,0,0|1,0,1]=4 1090 B10R1.2 c1cc(c(c(c1)N)O)C#N TS36813 [1,1,0,0,0,0|1,0,1]=4 1091 B10R1.2 c1cc(c(c(c1)O)O)C#N TS07696 [1,1,0,0,0,0|1,0,1]=4 1092 B10R1.2 c1cc(c(c(c1)O)O)C=O TS06231 [1,1,0,0,0,0|1,0,1]=4 1093 B10R1.2 c1cc(c(c(c1)O)O)CN TS37279 [1,1,0,0,0,0|1,0,0]=3 1094 B10R1.4 C=CCc1ccccc1Cl TS41221 [1,1,0,0,0,0|1,0,1]=4 1095 B10R1.4 C=CCc1ccccc1O TS36846 [1,1,0,0,0,0|0,0,1]=3 1096 B10R1.4 CC=Cc1ccccc1O TS36834 [1,1,0,0,0,0|0,0,1]=3 1097 B10R1.4 CCCc1ccccc1C TS05927 [1,1,0,0,0,0|1,0,0]=3 1098 B10R1.4 CCCc1ccccc1N TS36961 [1,1,0,0,0,0|1,0,0]=3 1099 B10R1.4 CCCc1ccccc1O TS06077 [1,1,0,0,0,0|0,0,0]=2 1100 B10R1.4 CCCn1ccccc1=O TS37115 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.4 CCNc1ccccc1C TS06011 [1,1,0,0,0,0|1,0,0]=3 1102 B10R1.4 CCNc1ccccc1F TS37294 [1,1,0,0,0,0|1,0,0]=3 1103 B10R1.4 CCOc1c(cccn1)Br TS19321 [1,1,0,0,0,0|2,0,0]=4 1104 B10R1.4 CCOc1c(cccn1)I TS27857 [1,1,0,0,0,0|2,0,0]=4 1105 B10R1.4 CCOc1ccccc1Br TS39657 [1,1,0,0,0,0|1,0,0]=3 1106 B10R1.4 CCOc1ccccc1Cl TS41727 [1,1,0,0,0,0|1,0,0]=3 1107 B10R1.4 CCOc1ccccc1F TS37374 [1,1,0,0,0,0|1,0,0]=3 1108 B10R1.4 CCOc1ccccc1N TS37118 [1,1,0,0,0,0|1,0,0]=3 1109 B10R1.4 CCOc1ccccc1N TS45700 [1,1,0,0,0,0|1,0,0]=3 1110 B10R1.4 CCOc1ccccc1O TS06253 [1,1,0,0,0,0|0,0,0]=2 1111 B10R1.4 CCOc1ccccc1S TS41408 [1,1,0,0,0,0|0,1,0]=3 1112 B10R1.4 CCOc1cccnc1Br TS19312 [1,1,0,0,0,0|2,0,0]=4 1113 B10R1.4 CCOc1cccnc1N TS37190 [1,1,0,0,0,0|2,0,0]=4 1114 B10R1.4 CCOc1ccncc1Br TS19320 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.4 CCOc1ccncc1N TS37196 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.4 CCOc1cnccc1Br TS38195 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.4 CCSc1ccccc1Br TS49221 [1,1,0,0,0,0|1,0,0]=3 1118 B10R1.4 CCSc1ccccc1O TS41412 [1,1,0,0,0,0|0,0,0]=2 1119 B10R1.4 CNCc1c(cccn1)F TS86149 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.4 CNCc1ccccc1Cl TS56333 [1,1,0,0,0,0|1,0,0]=3 1121 B10R1.4 CNCc1ccccc1O TS45699 [1,1,0,0,0,0|0,0,0]=2 1122 B10R1.4 COCc1ccccc1F TS37369 [1,1,0,0,0,0|1,0,0]=3 1123 B10R1.4 Cc1c(cccn1)CCO TS37129 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.4 Cc1ccccc1CC#N TS05669 [1,1,0,0,0,0|1,0,1]=4 1125 B10R1.4 Cc1ccccc1CC=C TS05766 [1,1,0,0,0,0|1,0,1]=4 1126 B10R1.4 Cc1ccccc1CCBr TS54167 [1,1,0,0,0,0|1,0,0]=3 1127 B10R1.4 Cc1ccccc1CCO TS37017 [1,1,0,0,0,0|1,0,0]=3 1128 B10R1.4 Cc1ccccc1CNC TS36965 [1,1,0,0,0,0|1,0,0]=3 1129 B10R1.4 [C-]#[N+]Cc1ccccc1Cl TS41069 [1,1,0,0,0,0|1,0,1]=4 1130 B10R1.4 c1cc(c(nc1)CCN)Br TS86650 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [1,1,0,0,0,0|1,0,1]=4 1132 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [1,1,0,0,0,0|1,0,1]=4 1133 B10R1.4 c1ccc(c(c1)CC#N)Br TS00857 [1,1,0,0,0,0|1,0,1]=4 1134 B10R1.4 c1ccc(c(c1)CC#N)Cl TS02146 [1,1,0,0,0,0|1,0,1]=4 1135 B10R1.4 c1ccc(c(c1)CC#N)F TS65431 [1,1,0,0,0,0|1,0,1]=4 1136 B10R1.4 c1ccc(c(c1)CC#N)I TS01084 [1,1,0,0,0,0|1,0,1]=4 1137 B10R1.4 c1ccc(c(c1)CC#N)N TS47469 [1,1,0,0,0,0|1,0,1]=4 1138 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [1,1,0,0,0,0|1,0,0]=3 1139 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [1,1,0,0,0,0|1,0,0]=3 1140 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [1,1,0,0,0,0|1,0,0]=3 1141 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [1,1,0,0,0,0|1,0,0]=3 1142 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [1,1,0,0,0,0|1,0,0]=3 1143 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [1,1,0,0,0,0|1,0,0]=3 1144 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [1,1,0,0,0,0|1,0,0]=3 1145 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [1,1,0,0,0,0|0,0,0]=2 1146 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [1,1,0,0,0,0|1,0,0]=3 1147 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [1,1,0,0,0,0|1,0,0]=3 1148 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [1,1,0,0,0,0|1,0,0]=3 1149 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [1,1,0,0,0,0|1,0,0]=3 1150 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [1,1,0,0,0,0|0,0,0]=2 1151 B10R1.4 c1ccc(c(c1)CNN)Br TS89985 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.4 c1ccc(c(c1)CNN)Cl TS90343 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.4 c1ccc(c(c1)CNN)F TS88873 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.4 c1ccc(c(c1)CNN)F TS94875 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.4 c1ccc(c(c1)CON)F TS93890 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.4 c1ccc(c(c1)CON)I TS94168 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.4 c1ccc(c(c1)CO[NH3+])Br TS26271 [1,1,0,0,0,0|2,0,0]=4 1158 B10R1.4 c1ccc(c(c1)CO[NH3+])Cl TS17764 [1,1,0,0,0,0|2,0,0]=4 1159 B10R1.4 c1ccc(c(c1)NC=O)O TS37102 [1,1,0,0,0,0|1,0,1]=4 1160 B10R1.20 CCc1c(nccn1)OC TS06275 [1,1,0,0,0,0|2,0,0]=4 1161 B10R1.20 CCc1ccccc1C#N TS59966 [1,1,0,0,0,0|1,0,0]=3 1162 B10R1.20 CCc1ccccc1C=O TS36837 [1,1,0,0,0,0|0,0,1]=3 1163 B10R1.20 CCc1ccccc1CC TS36854 [1,1,0,0,0,0|1,0,0]=3 1164 B10R1.20 CCc1ccccc1NN TS59967 [1,1,0,0,0,0|1,0,0]=3 1165 B10R1.20 CCc1ccccc1OC TS06091 [1,1,0,0,0,0|0,0,0]=2 1166 B10R1.20 CCc1ccncc1CC TS36953 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.20 CNc1c(cccn1)CO TS00522 [1,1,0,0,0,0|2,0,0]=4 1168 B10R1.20 CNc1ccccc1OC TS06193 [1,1,0,0,0,0|1,0,0]=3 1169 B10R1.20 COc1c(cccn1)CN TS85674 [1,1,0,0,0,0|2,0,0]=4 1170 B10R1.20 COc1c(cccn1)CN TS86802 [1,1,0,0,0,0|2,0,0]=4 1171 B10R1.20 COc1c(cccn1)CO TS88118 [1,1,0,0,0,0|2,0,0]=4 1172 B10R1.20 COc1ccccc1C#C TS55428 [1,1,0,0,0,0|0,0,2]=4 1173 B10R1.20 COc1ccccc1C#N TS02018 [1,1,0,0,0,0|1,0,1]=4 1174 B10R1.20 COc1ccccc1C=C TS36839 [1,1,0,0,0,0|0,0,2]=4 1175 B10R1.20 COc1ccccc1C=O TS00088 [1,1,0,0,0,0|1,0,1]=4 1176 B10R1.20 COc1ccccc1CBr TS46746 [1,1,0,0,0,0|1,0,0]=3 1177 B10R1.20 COc1ccccc1CCl TS01104 [1,1,0,0,0,0|1,0,0]=3 1178 B10R1.20 COc1ccccc1CN TS01103 [1,1,0,0,0,0|1,0,0]=3 1179 B10R1.20 COc1ccccc1CO TS06248 [1,1,0,0,0,0|1,0,0]=3 1180 B10R1.20 COc1ccccc1NN TS46513 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.20 COc1ccccc1OC TS07876 [1,1,0,0,0,0|1,0,0]=3 1182 B10R1.20 COc1ccccc1SC TS55437 [1,1,0,0,0,0|1,0,0]=3 1183 B10R1.20 COc1ccccc1[Mg]Br TS44048 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.20 COc1cccnc1CN TS06271 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.20 COc1cccnc1CO TS08026 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.20 COc1cccnc1OC TS16354 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.20 CSc1ccccc1C#N TS40767 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.20 CSc1ccccc1CN TS10344 [1,1,0,0,0,0|1,1,0]=4 1189 B10R1.20 CSc1ccccc1CO TS41405 [1,1,0,0,0,0|1,0,0]=3 1190 B10R1.20 c1cc(c(nc1)CO)CO TS06365 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.20 c1ccc(c(c1)CBr)C#N TS59504 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.20 c1ccc(c(c1)CBr)C=O TS54151 [1,1,0,0,0,0|1,0,1]=4 1193 B10R1.20 c1ccc(c(c1)CBr)CBr TS46778 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.20 c1ccc(c(c1)CCl)C#N TS41067 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.20 c1ccc(c(c1)CCl)CCl TS13625 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.20 c1ccc(c(c1)CN)C#N TS55302 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.20 c1ccc(c(c1)CO)CO TS59881 [1,1,0,0,0,0|1,0,0]=3 1198 B10R1.20 c1ccc(c(c1)CS)CS TS12901 [1,1,0,0,0,0|1,1,0]=4 1199 B10R1.25 CCc1c(cc(cn1)Br)N TS85926 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.25 CCc1ccc([nH]c1=O)C TS37106 [1,1,0,0,0,0|1,0,1]=4 1201 B10R1.25 CCc1ccc(cc1C)C TS36871 [1,1,0,0,0,0|1,0,0]=3 1202 B10R1.25 CCc1ccc(cc1O)O TS06247 [1,1,0,0,0,0|0,0,0]=2 1203 B10R1.25 CCc1ccc(nc1N)C TS06103 [1,1,0,0,0,0|2,0,0]=4 1204 B10R1.25 CCc1cnc(cc1N)C TS03292 [1,1,0,0,0,0|2,0,0]=4 1205 B10R1.25 CCn1ccc(cc1=O)Br TS92560 [1,1,0,0,0,0|1,0,1]=4 1206 B10R1.25 CCn1ccc(cc1=O)N TS88737 [1,1,0,0,0,0|1,0,1]=4 1207 B10R1.25 CNc1ccc(cc1F)F TS40063 [1,1,0,0,0,0|2,0,0]=4 1208 B10R1.25 COc1c(cc(cn1)Br)O TS86842 [1,1,0,0,0,0|2,0,0]=4 1209 B10R1.25 COc1ccc(cc1Br)Br TS73450 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.25 COc1ccc(cc1Br)F TS55106 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [1,1,0,0,0,0|2,0,0]=4 1214 B10R1.25 COc1ccc(cc1Cl)F TS09271 [1,1,0,0,0,0|2,0,0]=4 1215 B10R1.25 COc1ccc(cc1Cl)N TS10908 [1,1,0,0,0,0|2,0,0]=4 1216 B10R1.25 COc1ccc(cc1F)Br TS60384 [1,1,0,0,0,0|2,0,0]=4 1217 B10R1.25 COc1ccc(cc1F)Cl TS39482 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.25 COc1ccc(cc1F)F TS09234 [1,1,0,0,0,0|2,0,0]=4 1219 B10R1.25 COc1ccc(cc1F)N TS02745 [1,1,0,0,0,0|2,0,0]=4 1220 B10R1.25 COc1ccc(cc1F)O TS02753 [1,1,0,0,0,0|2,0,0]=4 1221 B10R1.25 COc1ccc(cc1F)S TS10975 [1,1,0,0,0,0|2,0,0]=4 1222 B10R1.25 COc1ccc(cc1I)Cl TS39489 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.25 COc1ccc(cc1I)N TS39440 [1,1,0,0,0,0|2,0,0]=4 1224 B10R1.25 COc1ccc(cc1I)N TS54863 [1,1,0,0,0,0|2,0,0]=4 1225 B10R1.25 COc1ccc(cc1N)Br TS38194 [1,1,0,0,0,0|2,0,0]=4 1226 B10R1.25 COc1ccc(cc1N)Cl TS03051 [1,1,0,0,0,0|2,0,0]=4 1227 B10R1.25 COc1ccc(cc1N)Cl TS10909 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.25 COc1ccc(cc1N)Cl TS17765 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.25 COc1ccc(cc1N)F TS07833 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.25 COc1ccc(cc1N)I TS65363 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.25 COc1ccc(cc1N)N TS37199 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.25 COc1ccc(cc1N)N TS43949 [1,1,0,0,0,0|2,0,0]=4 1233 B10R1.25 COc1ccc(cc1N)N TS56780 [1,1,0,0,0,0|2,0,0]=4 1234 B10R1.25 COc1ccc(cc1O)Br TS85281 [1,1,0,0,0,0|1,0,0]=3 1235 B10R1.25 COc1ccc(cc1O)F TS07835 [1,1,0,0,0,0|1,0,0]=3 1236 B10R1.25 COc1ccc(cc1O)N TS37282 [1,1,0,0,0,0|1,0,0]=3 1237 B10R1.25 COc1ccc(cc1O)O TS06433 [1,1,0,0,0,0|1,0,0]=3 1238 B10R1.25 COc1ccc(cc1S)F TS10974 [1,1,0,0,0,0|1,1,0]=4 1239 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.25 Cc1cc(ccc1CN)F TS37292 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.25 Cc1cc(ccc1CO)F TS06460 [1,1,0,0,0,0|2,0,0]=4 1243 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.25 Cc1cc(ccc1OC)F TS06457 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.25 Cc1cc(ccc1OC)I TS62512 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.25 Cc1cc(ccc1OC)N TS71211 [1,1,0,0,0,0|2,0,0]=4 1248 B10R1.25 Cc1cc(ccc1SC)O TS41411 [1,1,0,0,0,0|2,0,0]=4 1249 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [1,1,0,0,0,0|2,0,0]=4 1250 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [1,1,0,0,0,0|2,0,0]=4 1252 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [1,1,0,0,0,0|2,0,0]=4 1253 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [1,1,0,0,0,0|2,0,0]=4 1254 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [1,1,0,0,0,0|2,0,0]=4 1256 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [1,1,0,0,0,0|2,0,0]=4 1257 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [1,1,0,0,0,0|2,0,0]=4 1258 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [1,1,0,0,0,0|2,0,0]=4 1259 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [1,1,0,0,0,0|1,0,1]=4 1260 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [1,1,0,0,0,0|1,0,1]=4 1261 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [1,1,0,0,0,0|1,0,0]=3 1262 B10R1.25 c1cc(c(cc1Br)F)CCl TS50366 [1,1,0,0,0,0|2,0,0]=4 1263 B10R1.25 c1cc(c(cc1Br)F)CN TS00009 [1,1,0,0,0,0|2,0,0]=4 1264 B10R1.25 c1cc(c(cc1Br)F)CN TS26597 [1,1,0,0,0,0|2,0,0]=4 1265 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [1,1,0,0,0,0|2,0,0]=4 1266 B10R1.25 c1cc(c(cc1Br)F)CS TS49908 [1,1,0,0,0,0|2,0,0]=4 1267 B10R1.25 c1cc(c(cc1Br)O)C#N TS70956 [1,1,0,0,0,0|1,0,1]=4 1268 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [1,1,0,0,0,0|1,0,1]=4 1269 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [1,1,0,0,0,0|1,0,0]=3 1270 B10R1.25 c1cc(c(cc1Cl)Cl)CCl TS52075 [1,1,0,0,0,0|2,0,0]=4 1271 B10R1.25 c1cc(c(cc1Cl)Cl)CN TS46039 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [1,1,0,0,0,0|2,0,0]=4 1273 B10R1.25 c1cc(c(cc1Cl)Cl)CS TS51591 [1,1,0,0,0,0|2,0,0]=4 1274 B10R1.25 c1cc(c(cc1Cl)F)CBr TS39484 [1,1,0,0,0,0|2,0,0]=4 1275 B10R1.25 c1cc(c(cc1Cl)F)CCl TS47666 [1,1,0,0,0,0|2,0,0]=4 1276 B10R1.25 c1cc(c(cc1Cl)F)CN TS18170 [1,1,0,0,0,0|2,0,0]=4 1277 B10R1.25 c1cc(c(cc1Cl)F)CN TS39485 [1,1,0,0,0,0|2,0,0]=4 1278 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [1,1,0,0,0,0|2,0,0]=4 1279 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [1,1,0,0,0,0|1,0,1]=4 1280 B10R1.25 c1cc(c(cc1F)Br)CBr TS08318 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.25 c1cc(c(cc1F)Br)CN TS26596 [1,1,0,0,0,0|2,0,0]=4 1282 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [1,1,0,0,0,0|2,0,0]=4 1283 B10R1.25 c1cc(c(cc1F)Cl)CBr TS09272 [1,1,0,0,0,0|2,0,0]=4 1284 B10R1.25 c1cc(c(cc1F)Cl)CCl TS47667 [1,1,0,0,0,0|2,0,0]=4 1285 B10R1.25 c1cc(c(cc1F)Cl)CN TS09273 [1,1,0,0,0,0|2,0,0]=4 1286 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [1,1,0,0,0,0|2,0,0]=4 1287 B10R1.25 c1cc(c(cc1F)F)CCl TS09236 [1,1,0,0,0,0|2,0,0]=4 1288 B10R1.25 c1cc(c(cc1F)F)CN TS00632 [1,1,0,0,0,0|2,0,0]=4 1289 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [1,1,0,0,0,0|2,0,0]=4 1290 B10R1.25 c1cc(c(cc1F)I)CBr TS76743 [1,1,0,0,0,0|2,0,0]=4 1291 B10R1.25 c1cc(c(cc1F)N)CBr TS19670 [1,1,0,0,0,0|2,0,0]=4 1292 B10R1.25 c1cc(c(cc1F)N)CCl TS11188 [1,1,0,0,0,0|2,0,0]=4 1293 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [1,1,0,0,0,0|1,0,1]=4 1294 B10R1.25 c1cc(c(cc1O)O)C#N TS07698 [1,1,0,0,0,0|1,0,1]=4 1295 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [1,1,0,0,0,0|1,0,1]=4 1296 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [1,1,0,0,0,0|1,0,0]=3 1297 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [1,1,0,0,0,0|2,0,0]=4 1298 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [1,1,0,0,0,0|1,0,0]=3 1299 B10R1.30 CCc1cc(ccc1C)C TS05930 [1,1,0,0,0,0|1,0,0]=3 1300 B10R1.30 CCc1cc(ccc1Cl)O TS41712 [1,1,0,0,0,0|1,0,0]=3 1301 B10R1.30 CCc1cc(ccc1I)Br TS76460 [1,1,0,0,0,0|1,0,0]=3 1302 B10R1.30 CCc1cc(ccc1N)Br TS25964 [1,1,0,0,0,0|1,0,0]=3 1303 B10R1.30 CCc1cc(ccc1N)Br TS37843 [1,1,0,0,0,0|1,0,0]=3 1304 B10R1.30 CCc1cc(ccc1N)I TS27559 [1,1,0,0,0,0|1,0,0]=3 1305 B10R1.30 CCc1cc(ccc1O)F TS37365 [1,1,0,0,0,0|0,0,0]=2 1306 B10R1.30 CCc1cc(ccc1O)O TS06259 [1,1,0,0,0,0|0,0,0]=2 1307 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [1,1,0,0,0,0|1,0,1]=4 1308 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [1,1,0,0,0,0|2,0,0]=4 1309 B10R1.30 COc1cc(ccc1Br)F TS65379 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.30 COc1cc(ccc1Br)I TS01774 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.30 COc1cc(ccc1Br)N TS00018 [1,1,0,0,0,0|2,0,0]=4 1312 B10R1.30 COc1cc(ccc1Br)O TS00019 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.30 COc1cc(ccc1Cl)F TS09281 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.30 COc1cc(ccc1Cl)N TS10907 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.30 COc1cc(ccc1F)Br TS19895 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.30 COc1cc(ccc1F)F TS65344 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.30 COc1cc(ccc1N)Br TS70959 [1,1,0,0,0,0|2,0,0]=4 1320 B10R1.30 COc1cc(ccc1N)F TS93806 [1,1,0,0,0,0|2,0,0]=4 1321 B10R1.30 COc1cc(ccc1N)N TS56779 [1,1,0,0,0,0|2,0,0]=4 1322 B10R1.30 COc1cc(ccc1O)Br TS29434 [1,1,0,0,0,0|1,0,0]=3 1323 B10R1.30 COc1cc(ccc1O)Cl TS11084 [1,1,0,0,0,0|1,0,0]=3 1324 B10R1.30 COc1cc(ccc1O)F TS37549 [1,1,0,0,0,0|1,0,0]=3 1325 B10R1.30 COc1cc(ccc1O)O TS37335 [1,1,0,0,0,0|1,0,0]=3 1326 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [1,1,0,0,0,0|1,0,1]=4 1327 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [1,1,0,0,0,0|2,0,0]=4 1329 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [1,1,0,0,0,0|2,0,0]=4 1333 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [1,1,0,0,0,0|2,0,0]=4 1334 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [1,1,0,0,0,0|1,0,0]=3 1335 B10R1.30 Cc1ccc(c(n1)CO)O TS06364 [1,1,0,0,0,0|2,0,0]=4 1336 B10R1.30 Cc1ccc(cc1CBr)F TS07836 [1,1,0,0,0,0|2,0,0]=4 1337 B10R1.30 Cc1ccc(cc1CCl)F TS07837 [1,1,0,0,0,0|2,0,0]=4 1338 B10R1.30 Cc1ccc(cc1CN)F TS37290 [1,1,0,0,0,0|2,0,0]=4 1339 B10R1.30 Cc1ccc(cc1CO)F TS37367 [1,1,0,0,0,0|2,0,0]=4 1340 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [1,1,0,0,0,0|2,0,0]=4 1341 B10R1.30 Cc1ccc(cc1OC)F TS06455 [1,1,0,0,0,0|2,0,0]=4 1342 B10R1.30 Cc1ccc(cc1OC)N TS59695 [1,1,0,0,0,0|2,0,0]=4 1343 B10R1.30 c1cc(c(cc1Br)C#N)O TS71431 [1,1,0,0,0,0|1,0,1]=4 1344 B10R1.30 c1cc(c(cc1Br)C=O)O TS09820 [1,1,0,0,0,0|1,0,1]=4 1345 B10R1.30 c1cc(c(cc1Br)CBr)F TS30472 [1,1,0,0,0,0|2,0,0]=4 1346 B10R1.30 c1cc(c(cc1Br)CN)F TS26595 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.30 c1cc(c(cc1Br)CO)Cl TS39528 [1,1,0,0,0,0|2,0,0]=4 1348 B10R1.30 c1cc(c(cc1Br)CO)F TS16783 [1,1,0,0,0,0|2,0,0]=4 1349 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [1,1,0,0,0,0|1,0,0]=3 1350 B10R1.30 c1cc(c(cc1Cl)C#N)O TS71492 [1,1,0,0,0,0|1,0,1]=4 1351 B10R1.30 c1cc(c(cc1Cl)C=O)O TS10788 [1,1,0,0,0,0|1,0,1]=4 1352 B10R1.30 c1cc(c(cc1Cl)CBr)Cl TS26440 [1,1,0,0,0,0|2,0,0]=4 1353 B10R1.30 c1cc(c(cc1Cl)CBr)F TS09843 [1,1,0,0,0,0|2,0,0]=4 1354 B10R1.30 c1cc(c(cc1Cl)CCl)Cl TS52072 [1,1,0,0,0,0|2,0,0]=4 1355 B10R1.30 c1cc(c(cc1Cl)CN)Cl TS46041 [1,1,0,0,0,0|2,0,0]=4 1356 B10R1.30 c1cc(c(cc1Cl)CN)F TS09842 [1,1,0,0,0,0|2,0,0]=4 1357 B10R1.30 c1cc(c(cc1Cl)CN)N TS41734 [1,1,0,0,0,0|2,0,0]=4 1358 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [1,1,0,0,0,0|1,0,0]=3 1359 B10R1.30 c1cc(c(cc1Cl)CO)Cl TS13961 [1,1,0,0,0,0|2,0,0]=4 1360 B10R1.30 c1cc(c(cc1Cl)CO)F TS42239 [1,1,0,0,0,0|2,0,0]=4 1361 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [1,1,0,0,0,0|1,0,0]=3 1362 B10R1.30 c1cc(c(cc1F)C=O)O TS71536 [1,1,0,0,0,0|1,0,1]=4 1363 B10R1.30 c1cc(c(cc1F)CBr)Br TS65380 [1,1,0,0,0,0|2,0,0]=4 1364 B10R1.30 c1cc(c(cc1F)CBr)Cl TS50367 [1,1,0,0,0,0|2,0,0]=4 1365 B10R1.30 c1cc(c(cc1F)CCl)Br TS65381 [1,1,0,0,0,0|2,0,0]=4 1366 B10R1.30 c1cc(c(cc1F)CN)Br TS65382 [1,1,0,0,0,0|2,0,0]=4 1367 B10R1.30 c1cc(c(cc1F)CN)Cl TS09283 [1,1,0,0,0,0|2,0,0]=4 1368 B10R1.30 c1cc(c(cc1F)CN)F TS65347 [1,1,0,0,0,0|2,0,0]=4 1369 B10R1.30 c1cc(c(cc1F)CN)N TS37378 [1,1,0,0,0,0|2,0,0]=4 1370 B10R1.30 c1cc(c(cc1F)CO)Br TS65410 [1,1,0,0,0,0|2,0,0]=4 1371 B10R1.30 c1cc(c(cc1F)CO)Cl TS60277 [1,1,0,0,0,0|2,0,0]=4 1372 B10R1.30 c1cc(c(cc1F)CO)F TS65346 [1,1,0,0,0,0|2,0,0]=4 1373 B10R1.30 c1cc(c(cc1F)CO)N TS06576 [1,1,0,0,0,0|2,0,0]=4 1374 B10R1.30 c1cc(c(cc1F)C[Zn+])F TS33416 [1,1,0,0,0,0|2,0,0]=4 1375 B10R1.30 c1cc(c(cc1I)C=O)O TS01049 [1,1,0,0,0,0|1,0,1]=4 1376 B10R1.30 c1cc(c(cc1N)C#N)O TS36814 [1,1,0,0,0,0|1,0,1]=4 1377 B10R1.30 c1cc(c(cc1N)CN)F TS37377 [1,1,0,0,0,0|2,0,0]=4 1378 B10R1.30 c1cc(c(cc1N)CN)O TS43947 [1,1,0,0,0,0|1,0,0]=3 1379 B10R1.30 c1cc(c(cc1O)C=O)O TS47262 [1,1,0,0,0,0|1,0,1]=4 1380 B10R1.245 CCc1c(cccc1C)C TS36867 [1,1,0,0,0,0|1,0,0]=3 1381 B10R1.245 CNc1c(cccc1F)F TS93898 [1,1,0,0,0,0|2,0,0]=4 1382 B10R1.245 COc1c(cccc1Br)Br TS65354 [1,1,0,0,0,0|2,0,0]=4 1383 B10R1.245 COc1c(cccc1Br)F TS65034 [1,1,0,0,0,0|2,0,0]=4 1384 B10R1.245 COc1c(cccc1Cl)Cl TS13957 [1,1,0,0,0,0|2,0,0]=4 1385 B10R1.245 COc1c(cccc1Cl)F TS42231 [1,1,0,0,0,0|2,0,0]=4 1386 B10R1.245 COc1c(cccc1F)F TS09248 [1,1,0,0,0,0|2,0,0]=4 1387 B10R1.245 COc1c(cccc1F)N TS70568 [1,1,0,0,0,0|2,0,0]=4 1388 B10R1.245 COc1c(cccc1I)F TS65422 [1,1,0,0,0,0|2,0,0]=4 1389 B10R1.245 COc1c(cccc1O)O TS37340 [1,1,0,0,0,0|1,0,0]=3 1390 B10R1.245 Cc1cccc(c1C#N)O TS16697 [1,1,0,0,0,0|1,0,1]=4 1391 B10R1.245 Cc1cccc(c1CBr)C TS47325 [1,1,0,0,0,0|2,0,0]=4 1392 B10R1.245 Cc1cccc(c1CCl)C TS47326 [1,1,0,0,0,0|2,0,0]=4 1393 B10R1.245 Cc1cccc(c1CN)C TS36957 [1,1,0,0,0,0|2,0,0]=4 1394 B10R1.245 Cc1cccc(c1CO)C TS06075 [1,1,0,0,0,0|2,0,0]=4 1395 B10R1.245 Cc1cccc(c1OC)C TS09255 [1,1,0,0,0,0|2,0,0]=4 1396 B10R1.245 Cc1cccc(c1SC)C TS41197 [1,1,0,0,0,0|2,0,0]=4 1397 B10R1.245 c1cc(c(c(c1)Br)C=O)O TS08363 [1,1,0,0,0,0|1,0,1]=4 1398 B10R1.245 c1cc(c(c(c1)Br)CBr)Cl TS08815 [1,1,0,0,0,0|2,0,0]=4 1399 B10R1.245 c1cc(c(c(c1)Br)CBr)F TS30473 [1,1,0,0,0,0|2,0,0]=4 1400 B10R1.245 c1cc(c(c(c1)Br)CO)F TS19892 [1,1,0,0,0,0|2,0,0]=4 1401 B10R1.245 c1cc(c(c(c1)Cl)C#N)O TS87990 [1,1,0,0,0,0|1,0,1]=4 1402 B10R1.245 c1cc(c(c(c1)Cl)C=O)O TS55262 [1,1,0,0,0,0|1,0,1]=4 1403 B10R1.245 c1cc(c(c(c1)Cl)CBr)Cl TS65356 [1,1,0,0,0,0|2,0,0]=4 1404 B10R1.245 c1cc(c(c(c1)Cl)CBr)F TS65404 [1,1,0,0,0,0|2,0,0]=4 1405 B10R1.245 c1cc(c(c(c1)Cl)CCl)Cl TS52073 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.245 c1cc(c(c(c1)Cl)CCl)F TS47664 [1,1,0,0,0,0|2,0,0]=4 1407 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl TS13766 [1,1,0,0,0,0|2,0,0]=4 1408 B10R1.245 c1cc(c(c(c1)Cl)CN)F TS11186 [1,1,0,0,0,0|2,0,0]=4 1409 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl TS47300 [1,1,0,0,0,0|2,0,0]=4 1410 B10R1.245 c1cc(c(c(c1)Cl)CO)F TS65403 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.245 c1cc(c(c(c1)Cl)CS)F TS46193 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.245 c1cc(c(c(c1)F)C#N)O TS55363 [1,1,0,0,0,0|1,0,1]=4 1413 B10R1.245 c1cc(c(c(c1)F)C=O)O TS55361 [1,1,0,0,0,0|1,0,1]=4 1414 B10R1.245 c1cc(c(c(c1)F)CBr)F TS34656 [1,1,0,0,0,0|2,0,0]=4 1415 B10R1.245 c1cc(c(c(c1)F)CCl)F TS09249 [1,1,0,0,0,0|2,0,0]=4 1416 B10R1.245 c1cc(c(c(c1)F)CN)F TS34655 [1,1,0,0,0,0|2,0,0]=4 1417 B10R1.245 c1cc(c(c(c1)F)CO)F TS59510 [1,1,0,0,0,0|2,0,0]=4 1418 B10R1.245 c1cc(c(c(c1)F)C[Zn+])F TS33415 [1,1,0,0,0,0|2,0,0]=4 1419 B10R1.245 c1cc(c(c(c1)O)C#N)O TS05970 [1,1,0,0,0,0|1,0,1]=4 1420 B10R1.245 c1cc(c(c(c1)O)C=O)O TS06226 [1,1,0,0,0,0|1,0,1]=4 1421 B10R1.192 CC(C)N1C(=O)C=CC1=O TS06356 [0,1,0,0,1,0|1,0,1]=4 1422 B12R1.75 CC(=O)Cc1ccccc1OC TS11859 [0,1,0,0,0,1|1,0,1]=4 1423 B12R1.75 CC(=O)Oc1ccccc1OC TS12204 [0,1,0,0,0,1|1,0,1]=4 1424 B12R1.75 CC(C)Cc1c(nccn1)OC TS43126 [0,1,0,0,0,1|2,0,0]=4 1425 B12R1.75 CC(C)Oc1c(cccn1)C=O TS07728 [0,1,0,0,0,1|1,0,1]=4 1426 B12R1.75 CC(C)Oc1c(cccn1)CO TS12400 [0,1,0,0,0,1|1,0,0]=3 1427 B12R1.75 CC(Cc1ccccc1OC)N TS39991 [0,1,0,0,0,1|1,0,0]=3 1428 B12R1.75 c1ccc(c(c1)CO)OC(F)F TS13449 [0,1,0,0,0,1|2,0,0]=4 1429 B12R1.124 CN(C)C(=O)c1ccccc1Br TS24453 [0,1,0,0,0,1|2,0,0]=4 1430 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl TS07914 [0,1,0,0,0,1|1,0,1]=4 1431 B12R1.127 CC(C)Oc1cc(ccc1N)F TS38899 [0,1,0,0,0,1|1,0,0]=3 1432 B12R1.127 CN(C)Cc1cc(ccc1Br)O TS94633 [0,1,0,0,0,1|2,0,0]=4 1433 B12R1.127 CN(C)Cc1cc(ccc1O)F TS12685 [0,1,0,0,0,1|1,0,0]=3 1434 B12R1.127 Cc1ccc(c(c1)CC(C)C)C TS42510 [0,1,0,0,0,1|1,0,0]=3 1435 B12R1.127 Cc1ccc(c(c1)NC(=O)C)O TS65018 [0,1,0,0,0,1|1,0,1]=4 1436 B12R1.151 CC(C)(C)Sc1cccnc1N TS15038 [0,1,0,0,0,1|2,0,0]=4 1437 B12R1.151 CC(C)(C)Sc1cnccc1N TS15037 [0,1,0,0,0,1|2,0,0]=4 1438 B12R1.151 C[Si](C)(C)Cc1ccccc1Cl TS18748 [0,1,0,0,0,1|1,1,0]=4 1439 B12R1.151 c1ccc(c(c1)O)OC(F)(F)F TS47103 [0,1,0,0,0,1|2,0,0]=4 1440 B12R1.224 CC(C)Oc1cccc(c1F)F TS13132 [0,1,0,0,0,1|1,0,0]=3 1441 B12R1.224 CC(C)Oc1cccc(c1O)Br TS25018 [0,1,0,0,0,1|0,0,0]=2 1442 B12R1.233 CC(C)Oc1c(cc(cn1)Br)I TS78569 [0,1,0,0,0,1|2,0,0]=4 1443 B12R1.233 CC(C)Oc1ccc(cc1Br)F TS25335 [0,1,0,0,0,1|1,0,0]=3 1444 B12R1.233 CC(C)Oc1ccc(cc1F)Br TS25336 [0,1,0,0,0,1|1,0,0]=3 1445 B12R1.371 COC(=O)Cc1ccccc1O TS12181 [0,1,0,0,0,1|1,0,1]=4 1446 B12R1.1009 CC(C)Sc1c(cccc1Cl)N TS19296 [0,1,0,0,0,1|1,0,0]=3 1447 B12R1.1021 CC(C)c1cccc(=O)c(c1)O TS39882 [0,1,0,0,0,1|0,0,0]=2 1448 B12R1.46 CC(=O)c1cc(ccc1OC)Br TS59718 [0,2,0,0,0,0|1,0,1]=4 1449 B12R1.46 CC(=O)c1cc(ccc1OC)Cl TS48663 [0,2,0,0,0,0|1,0,1]=4 1450 B12R1.46 CC(=O)c1cc(ccc1OC)F TS44857 [0,2,0,0,0,0|1,0,1]=4 1451 B12R1.46 CC(c1cc(ccc1CO)O)N TS38511 [0,2,0,0,0,0|1,0,0]=3 1452 B12R1.57 CC(=O)c1ccc(cc1OC)F TS46717 [0,2,0,0,0,0|1,0,1]=4 1453 B12R1.57 Cc1ccc(c(c1)OC)C(C)C TS42786 [0,2,0,0,0,0|0,0,0]=2 1454 B12R1.76 COc1ccccc1C(F)(F)F TS13783 [0,2,0,0,0,0|2,0,0]=4 1455 B12R1.76 c1ccc(c(c1)CO)C(F)(F)F TS09215 [0,2,0,0,0,0|2,0,0]=4 1456 B12R1.77 CCC(C)c1c(nccn1)OC TS43127 [0,2,0,0,0,0|2,0,0]=4 1457 B12R1.77 COC(=O)c1ccccc1CO TS43040 [0,2,0,0,0,0|1,0,1]=4 1458 B12R1.77 COc1ccccc1C(=O)CBr TS52784 [0,2,0,0,0,0|1,0,1]=4 1459 B12R1.77 COc1ccccc1C(=O)CO TS43048 [0,2,0,0,0,0|1,0,1]=4 1460 B12R1.77 COc1ccccc1C(=O)OC TS12172 [0,2,0,0,0,0|1,0,1]=4 1461 B12R1.77 COc1ccccc1C(CN)O TS38513 [0,2,0,0,0,0|1,0,0]=3 1462 B12R1.87 CN(C)c1cccc(c1C#N)F TS42721 [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.87 Cc1cccc(c1[N+]#[C-])C(C)C TS42073 [0,2,0,0,0,0|1,0,0]=3 1464 B12R1.261 B(c1ccccc1C(=O)C)(O)O TS08260 [0,2,0,0,0,0|1,0,1]=4 1465 B12R1.261 B(c1ccccc1C(C)C)(O)O TS42656 [0,2,0,0,0,0|0,0,0]=2 1466 B12R1.261 B(c1ccccc1N(C)C)(O)O TS65003 [0,2,0,0,0,0|1,0,0]=3 1467 B12R1.261 CC(=O)c1ccccc1C(=O)O TS09261 [0,2,0,0,0,0|1,0,1]=4 1468 B12R1.261 CC(C)c1ccccc1C(C)C TS11624 [0,2,0,0,0,0|1,0,0]=3 1469 B12R1.261 CC(C)c1ccccc1[N+](=O)[O-] TS42896 [0,2,0,0,0,0|0,0,1]=3 1470 B12R1.261 CN(C)c1ccccc1C(=O)O TS12017 [0,2,0,0,0,0|1,0,0]=3 1471 B12R1.261 CN(C)c1ccccc1N(=O)=O TS12235 [0,2,0,0,0,0|1,0,1]=4 1472 B12R1.261 CN(C)c1ccccc1N(C)C TS11935 [0,2,0,0,0,0|2,0,0]=4 1473 B12R1.261 C[As](C)c1ccccc1[As](C)C TS34898 [0,2,0,0,0,0|2,0,0]=4 1474 B12R1.261 C[SiH](C)c1ccccc1[SiH](C)C TS17951 [0,2,0,0,0,0|1,1,0]=4 1475 B12R1.283 CC(C)c1ccccc1N=C=O TS42319 [0,2,0,0,0,0|0,0,1]=3 1476 B12R1.283 CC(C)c1ccccc1N=C=S TS14088 [0,2,0,0,0,0|0,1,0]=3 1477 B12R1.283 CCOc1c(nccn1)C(C)C TS43125 [0,2,0,0,0,0|2,0,0]=4 1478 B12R1.283 CCOc1ccccc1C(=O)C TS42746 [0,2,0,0,0,0|1,0,1]=4 1479 B12R1.283 CN(C)c1ccccc1CNN TS57048 [0,2,0,0,0,0|2,0,0]=4 1480 B12R1.437 CC(=O)c1c(cccc1F)OC TS44843 [0,2,0,0,0,0|1,0,1]=4 1481 B12R1.437 CC(=O)c1c(cccc1OC)O TS01057 [0,2,0,0,0,0|1,0,1]=4 1482 B12R1.437 C[C@@H](c1c(cccc1F)OC)N TS45007 [0,2,0,0,0,0|1,0,0]=3 1483 B12R1.126 Cc1ccc(c(c1)O)C(C)(C)C TS42793 [0,2,0,0,0,0|0,0,0]=2 1484 B12R1.126 c1cc(c(cc1F)O)C(F)(F)F TS60436 [0,2,0,0,0,0|2,0,0]=4 1485 B12R1.128 CC(C)(C)C1=CC(=O)C=CC1=O TS42749 [0,2,0,0,0,0|0,0,1]=3 1486 B12R1.128 CC(C)(C)c1cc(ccc1O)O TS12263 [0,2,0,0,0,0|0,0,0]=2 1487 B12R1.128 CC(C)(C)c1cc(ccc1O)O TS62860 [0,2,0,0,0,0|0,0,0]=2 1488 B12R1.128 Cc1ccc(c(c1)C(C)(C)C)O TS42799 [0,2,0,0,0,0|0,0,0]=2 1489 B12R1.128 c1cc(c(cc1Br)C(F)(F)F)O TS70949 [0,2,0,0,0,0|2,0,0]=4 1490 B12R1.128 c1cc(c(cc1F)C(F)(F)F)O TS60396 [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.128 c1cc(c(cc1N)C(F)(F)F)O TS46231 [0,2,0,0,0,0|2,0,0]=4 1492 B12R1.195 CCC(C)(C)c1ccccc1O TS42789 [0,2,0,0,0,0|0,0,0]=2 1493 B12R1.228 CC(C)(C)c1cccc(c1O)F TS87551 [0,2,0,0,0,0|0,0,0]=2 1494 B12R1.228 Cc1cccc(c1C)[Si](C)(C)C TS14287 [0,2,0,0,0,0|1,1,0]=4 1495 B12R1.228 Cc1cccc(c1N)C(C)(C)C TS11755 [0,2,0,0,0,0|1,0,0]=3 1496 B12R1.228 Cc1cccc(c1O)C(C)(C)C TS42794 [0,2,0,0,0,0|0,0,0]=2 1497 B12R1.228 c1cc(c(c(c1)I)O)C(F)(F)F TS94897 [0,2,0,0,0,0|2,0,0]=4 1498 B12R1.894 CC(c1c(ccc(c1Cl)F)Cl)O TS32851 [0,2,0,0,0,0|2,0,0]=4 1499 B12R1.894 C[C@@H](c1c(ccc(c1Cl)F)Cl)O TS94381 [0,2,0,0,0,0|2,0,0]=4 1500 B12R1.894 C[C@H](c1c(ccc(c1Cl)F)Cl)O TS94388 [0,2,0,0,0,0|2,0,0]=4 1501 B12R1.894 Cc1ccc(c(c1C(C)C)C)N TS11753 [0,2,0,0,0,0|1,0,0]=3 1502 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS08799 [0,2,0,0,0,0|1,0,1]=4 1503 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O TS44822 [0,2,0,0,0,0|1,0,1]=4 1504 B12R1.1000 Cc1cc(c(c(c1)C)N(C)C)C TS11743 [0,2,0,0,0,0|2,0,0]=4 1505 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)C)O TS02200 [0,2,0,0,0,0|1,0,1]=4 1506 B12R1.1000 Cc1cc(cc(c1N(C)C)C)Br TS52605 [0,2,0,0,0,0|2,0,0]=4 1507 B12R1.3441 COC(=O)c1c(cccc1F)O TS45084 [0,2,0,0,0,0|1,0,1]=4 1508 B12R1.3441 COC(=O)c1c(cccc1O)O TS12478 [0,2,0,0,0,0|1,0,1]=4 1509 B12R1.3441 Cc1cccc(c1C(=O)OC)O TS12171 [0,2,0,0,0,0|1,0,1]=4 1510 B12R1.24 COC(=O)c1cccc(c1O)F TS45085 [0,2,0,0,0,0|1,0,1]=4 1511 B12R1.24 Cc1cccc(c1O)C(=O)OC TS59794 [0,2,0,0,0,0|1,0,1]=4 1512 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Br TS58434 [0,2,0,0,0,0|1,0,1]=4 1513 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Cl TS27943 [0,2,0,0,0,0|1,0,1]=4 1514 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl TS19908 [0,2,0,0,0,0|1,0,1]=4 1515 B12R1.511 CC(=O)c1cc(cc(c1O)F)F TS46707 [0,2,0,0,0,0|1,0,1]=4 1516 B12R1.511 Cc1cc(c(c(c1)C(=O)C)O)C TS08853 [0,2,0,0,0,0|1,0,1]=4 1517 B12R1.511 Cc1cc(c(c(c1)N)O)C(=O)C TS12008 [0,2,0,0,0,0|1,0,1]=4 1518 B12R1.511 Cc1cc(cc(c1C)C(C)C)N TS42637 [0,2,0,0,0,0|1,0,0]=3 1519 B12R1.893 CC(=O)c1ccc(c(c1O)O)O TS44817 [0,2,0,0,0,0|1,0,1]=4 1520 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O TS12193 [0,2,0,0,0,0|1,0,1]=4 1521 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C TS11889 [0,2,0,0,0,0|0,0,1]=3 1522 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C TS11849 [0,2,0,0,0,0|1,0,1]=4 1523 B12R1.232 Cc1cc(c(cc1Cl)C(=O)C)O TS15377 [0,2,0,0,0,0|1,0,1]=4 1524 B12R1.232 Cc1cc(c(cc1Cl)C(C)C)O TS48690 [0,2,0,0,0,0|0,0,0]=2 1525 B12R1.232 Cc1cc(c(cc1N)C(C)C)O TS12068 [0,2,0,0,0,0|0,0,0]=2 1526 B12R1.232 Cc1cc(c(cc1N)C(C)C)O TS38182 [0,2,0,0,0,0|0,0,0]=2 1527 B12R1.232 Cc1cc(c(cc1O)C(C)C)Br TS24683 [0,2,0,0,0,0|1,0,0]=3 1528 B12R1.452 CC(=O)c1ccc(cc1O)OC TS55390 [0,2,0,0,0,0|1,0,1]=4 1529 B12R1.452 CC(C)c1ccc(cc1F)OC TS86089 [0,2,0,0,0,0|1,0,0]=3 1530 B12R1.1703 CC(=NO)c1ccc(cc1O)O TS12367 [0,2,0,0,0,0|1,0,1]=4 1531 B12R1.1703 CCC(=O)c1ccc(cc1O)Br TS52785 [0,2,0,0,0,0|1,0,1]=4 1532 B12R1.1703 CCC(=O)c1ccc(cc1O)N TS12033 [0,2,0,0,0,0|1,0,1]=4 1533 B12R1.1703 CCC(=O)c1ccc(cc1O)O TS43045 [0,2,0,0,0,0|1,0,1]=4 1534 B12R1.1703 COC(=O)c1ccc(cc1O)F TS77151 [0,2,0,0,0,0|1,0,1]=4 1535 B12R1.1703 COC(=O)c1ccc(cc1O)N TS60146 [0,2,0,0,0,0|1,0,1]=4 1536 B12R1.1703 COC(=O)c1ccc(cc1O)O TS44823 [0,2,0,0,0,0|1,0,1]=4 1537 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC TS16574 [0,2,0,0,0,0|1,0,1]=4 1538 B12R1.1703 c1cc(c(cc1Cl)Cl)[C@@H](CCl)O TS24057 [0,2,0,0,0,0|2,0,0]=4 1539 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr TS53124 [0,2,0,0,0,0|1,0,1]=4 1540 B12R1.354 CCC(=O)c1cc(ccc1O)Br TS52798 [0,2,0,0,0,0|1,0,1]=4 1541 B12R1.354 CCC(=O)c1cc(ccc1O)C TS42743 [0,2,0,0,0,0|1,0,1]=4 1542 B12R1.354 CCC(=O)c1cc(ccc1O)Cl TS60084 [0,2,0,0,0,0|1,0,1]=4 1543 B12R1.354 CCC(=O)c1cc(ccc1O)F TS44842 [0,2,0,0,0,0|1,0,1]=4 1544 B12R1.354 CCC(=O)c1cc(ccc1O)O TS12160 [0,2,0,0,0,0|1,0,1]=4 1545 B12R1.354 CC[C@H](c1cc(ccc1C)C)N TS11748 [0,2,0,0,0,0|2,0,0]=4 1546 B12R1.354 CN(c1cc(ccc1O)O)N=O TS12492 [0,2,0,0,0,0|2,0,0]=4 1547 B12R1.354 COC(=O)c1cc(ccc1O)Br TS53120 [0,2,0,0,0,0|1,0,1]=4 1548 B12R1.354 COC(=O)c1cc(ccc1O)Cl TS15713 [0,2,0,0,0,0|1,0,1]=4 1549 B12R1.354 COC(=O)c1cc(ccc1O)F TS16583 [0,2,0,0,0,0|1,0,1]=4 1550 B12R1.354 COC(=O)c1cc(ccc1O)I TS33987 [0,2,0,0,0,0|1,0,1]=4 1551 B12R1.354 COC(=O)c1cc(ccc1O)N TS43220 [0,2,0,0,0,0|1,0,1]=4 1552 B12R1.354 COC(=O)c1cc(ccc1O)O TS60141 [0,2,0,0,0,0|1,0,1]=4 1553 B12R1.354 Cc1ccc(c(c1)C(=O)CBr)O TS52794 [0,2,0,0,0,0|1,0,1]=4 1554 B12R1.354 Cc1ccc(c(c1)C(=O)OC)O TS16588 [0,2,0,0,0,0|1,0,1]=4 1555 B12R1.354 c1cc(c(cc1Br)C(=O)CBr)O TS58432 [0,2,0,0,0,0|1,0,1]=4 1556 B12R1.354 c1cc(c(cc1Cl)C(=O)CBr)O TS27944 [0,2,0,0,0,0|1,0,1]=4 1557 B12R1.354 c1cc(c(cc1F)C(=O)CBr)O TS53410 [0,2,0,0,0,0|1,0,1]=4 1558 B12R1.354 c1cc(c(cc1O)C(=O)CBr)O TS53114 [0,2,0,0,0,0|1,0,1]=4 1559 B12R1.453 CC(=O)c1cc(ccc1O)C#N TS08802 [0,2,0,0,0,0|1,0,1]=4 1560 B12R1.453 CC(=O)c1cc(ccc1O)OC TS01830 [0,2,0,0,0,0|1,0,1]=4 1561 B12R1.453 CC(C)c1cc(ccc1F)CN TS32836 [0,2,0,0,0,0|1,0,0]=3 1562 B12R1.453 CCc1ccc(c(c1)C(=O)C)O TS42737 [0,2,0,0,0,0|1,0,1]=4 1563 B12R1.243 CCN(CC)c1ccccc1C TS42628 [0,2,0,0,0,0|2,0,0]=4 1564 B12R1.243 CCN(CC)c1ccccc1Cl TS48501 [0,2,0,0,0,0|2,0,0]=4 1565 B12R1.308 CCCC(=O)c1ccccc1O TS42728 [0,2,0,0,0,0|1,0,1]=4 1566 B12R1.308 CCCC(C)c1ccccc1O TS42783 [0,2,0,0,0,0|0,0,0]=2 1567 B12R1.308 CCOC(=O)c1ccccc1O TS12199 [0,2,0,0,0,0|1,0,1]=4 1568 B12R1.308 c1ccc(c(c1)C(CCO)N)Cl TS48804 [0,2,0,0,0,0|2,0,0]=4 1569 B12R1.308 c1ccc(c(c1)C(CCO)N)N TS43120 [0,2,0,0,0,0|2,0,0]=4 1570 B10R1.18 CC(=Cc1ccccc1)C TS36699 [0,0,1,1,0,0|1,0,1]=4 1571 B10R1.18 CC(C)Cc1ccccc1 TS74509 [0,0,1,1,0,0|1,0,1]=4 1572 B10R1.18 CC(C)Cc1ccccn1 TS36960 [0,0,1,1,0,0|1,0,1]=4 1573 B10R1.18 CC(C)Nc1ccccc1 TS56404 [0,0,1,1,0,0|2,0,0]=4 1574 B10R1.18 CC(C)Sc1ccccc1 TS41201 [0,0,1,1,0,0|2,0,0]=4 1575 B10R1.66 CC(=O)C=Cc1ccco1 TS70735 [0,0,1,1,0,0|1,0,1]=4 1576 B10R1.66 CC(C)SCc1ccco1 TS41673 [0,0,1,1,0,0|1,0,1]=4 1577 B10R1.66 CN(C)N=Cc1ccco1 TS37185 [0,0,1,1,0,0|2,0,0]=4 1578 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [1,0,0,1,0,0|0,0,0]=2 1579 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [1,0,0,1,0,0|1,0,0]=3 1580 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [1,0,0,1,0,0|1,0,0]=3 1581 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [1,0,0,1,0,0|1,0,0]=3 1582 B10R2.6 c1cnc(nc1)C2CC2 TS89415 [1,0,0,1,0,0|2,0,0]=4 1583 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|1,0,1]=4 1584 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [1,0,0,1,0,0|1,0,0]=3 1585 B10R2.7 B1Oc2ccccc2O1 TS39809 [1,0,0,1,0,0|2,0,0]=4 1586 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [1,0,0,1,0,0|2,0,0]=4 1587 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [1,0,0,1,0,0|2,0,0]=4 1588 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,1,0,0|1,0,1]=4 1589 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,1,0,0|1,0,1]=4 1590 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [1,0,0,1,0,0|1,0,0]=3 1591 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [1,0,0,1,0,0|1,0,0]=3 1592 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,1,0,0|0,0,0]=2 1593 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [1,0,0,1,0,0|2,0,0]=4 1594 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,1,0,0|2,0,0]=4 1595 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [1,0,0,1,0,0|2,0,0]=4 1596 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [1,0,0,1,0,0|1,0,0]=3 1597 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [1,0,0,1,0,0|1,1,0]=4 1598 B10R2.7 c1ccc2c(c1)cco2 TS39813 [1,0,0,1,0,0|0,0,2]=4 1599 B10R2.7 c1ccc2c(c1)cno2 TS32395 [1,0,0,1,0,0|1,0,1]=4 1600 B10R2.7 c1ccc2c(c1)nco2 TS32393 [1,0,0,1,0,0|1,0,1]=4 1601 B10R2.68 c1cc2c(c(c1)Br)CC2 TS09593 [1,0,0,1,0,0|1,0,0]=3 1602 B10R2.68 c1cc2c(c(c1)N)CC2 TS70910 [1,0,0,1,0,0|1,0,0]=3 1603 B12R2.24 CC1CCc2ccccc2N1 TS59877 [0,0,0,1,0,1|1,0,0]=3 1604 B12R2.24 CC1COc2ccccc2N1 TS40752 [0,0,0,1,0,1|0,0,0]=2 1605 B12R2.24 CC1Cc2ccccc2CN1 TS40571 [0,0,0,1,0,1|2,0,0]=4 1606 B12R2.24 c1ccc2c(c1)CC(=O)CO2 TS07410 [0,0,0,1,0,1|1,0,1]=4 1607 B12R2.24 c1ccc2c(c1)CC(CN2)N TS40678 [0,0,0,1,0,1|2,0,0]=4 1608 B12R2.24 c1ccc2c(c1)CC(CO2)N TS40753 [0,0,0,1,0,1|1,0,0]=3 1609 B12R2.24 c1ccc2c(c1)CC(CO2)N TS48810 [0,0,0,1,0,1|1,0,0]=3 1610 B12R2.24 c1ccc2c(c1)CC(CS2)N TS12090 [0,0,0,1,0,1|1,1,0]=4 1611 B12R2.24 c1ccc2c(c1)CCC(C2)N TS08739 [0,0,0,1,0,1|2,0,0]=4 1612 B12R2.24 c1ccc2c(c1)CCC(C2)N TS46761 [0,0,0,1,0,1|2,0,0]=4 1613 B12R2.24 c1ccc2c(c1)CCC(C2)O TS07471 [0,0,0,1,0,1|2,0,0]=4 1614 B12R2.24 c1ccc2c(c1)CC[C@@H](C2)N TS07859 [0,0,0,1,0,1|2,0,0]=4 1615 B12R2.24 c1ccc2c(c1)NC(=O)CO2 TS46410 [0,0,0,1,0,1|1,0,1]=4 1616 B12R2.95 CC1(Oc2ccccc2O1)C TS40852 [0,0,0,1,0,1|0,0,0]=2 1617 B12R2.95 c1ccc2c(c1)OC(O2)(F)F TS34627 [0,0,0,1,0,1|2,0,0]=4 1618 B12R2.202 Cc1cc2c([nH]1)cccc2O TS39281 [0,0,0,1,0,1|1,0,1]=4 1619 B12R2.225 c1cc(c(nc1)NC2CC2)N TS01589 [0,0,0,1,0,1|2,0,0]=4 1620 B12R2.1081 CC1CCNc2c1cccc2 TS07373 [0,1,0,1,0,0|1,0,0]=3 1621 B12R2.1081 CN1CCCc2c1cccc2 TS85270 [0,1,0,1,0,0|2,0,0]=4 1622 B12R2.1081 c1cc2c(nc1)C(CCO2)O TS02006 [0,1,0,1,0,0|2,0,0]=4 1623 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 TS71085 [0,1,0,1,0,0|1,0,1]=4 1624 B12R2.1081 c1ccc2c(c1)C(CCN2)N TS40665 [0,1,0,1,0,0|2,0,0]=4 1625 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS48812 [0,1,0,1,0,0|1,0,0]=3 1626 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS55814 [0,1,0,1,0,0|1,0,0]=3 1627 B12R2.1081 c1ccc2c(c1)C(CCO2)O TS09864 [0,1,0,1,0,0|1,0,0]=3 1628 B12R2.1081 c1ccc2c(c1)C(CCS2)N TS12088 [0,1,0,1,0,0|1,1,0]=4 1629 B12R2.1081 c1ccc2c(c1)C(CCS2)O TS12277 [0,1,0,1,0,0|1,1,0]=4 1630 B12R2.1081 c1ccc2c(c1)CCCC2N TS46759 [0,1,0,1,0,0|2,0,0]=4 1631 B12R2.1081 c1ccc2c(c1)CCCC2N TS48498 [0,1,0,1,0,0|2,0,0]=4 1632 B12R2.1081 c1ccc2c(c1)CCCC2O TS40646 [0,1,0,1,0,0|2,0,0]=4 1633 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS08922 [0,1,0,1,0,0|2,0,0]=4 1634 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS48497 [0,1,0,1,0,0|2,0,0]=4 1635 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2O TS40651 [0,1,0,1,0,0|2,0,0]=4 1636 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS15209 [0,1,0,1,0,0|2,0,0]=4 1637 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS40559 [0,1,0,1,0,0|2,0,0]=4 1638 B12R2.1081 c1ccc2c(c1)CCC[C@H]2O TS40650 [0,1,0,1,0,0|2,0,0]=4 1639 B12R2.1081 c1ccc2c(c1)CNCC2O TS40756 [0,1,0,1,0,0|2,0,0]=4 1640 B12R2.1081 c1ccc2c(c1)COCC2=O TS86678 [0,1,0,1,0,0|1,0,1]=4 1641 B12R2.1081 c1ccc2c(c1)COCC2N TS65761 [0,1,0,1,0,0|1,0,0]=3 1642 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS00222 [0,1,0,1,0,0|1,0,0]=3 1643 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS15532 [0,1,0,1,0,0|1,0,0]=3 1644 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS00223 [0,1,0,1,0,0|1,0,0]=3 1645 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS48807 [0,1,0,1,0,0|1,0,0]=3 1646 B12R2.2028 CC1CC(=O)c2c1cccc2 TS07233 [0,1,0,1,0,0|0,0,1]=3 1647 B12R2.2028 c1ccc2c(c1)C(CC2O)O TS40841 [0,1,0,1,0,0|1,0,0]=3 1648 B12R2.2403 CC1(CNc2c1cccc2)C TS86357 [0,1,0,1,0,0|1,0,0]=3 1649 B12R2.2403 CC1(c2ccccc2CN1)C TS87925 [0,1,0,1,0,0|1,0,0]=3 1650 B12R2.88 c1ccc(c(c1)C2(CC2)N)Br TS44123 [0,1,0,1,0,0|1,0,0]=3 1651 B12R2.88 c1ccc(c(c1)C2(CC2)N)F TS10053 [0,1,0,1,0,0|1,0,0]=3 1652 B12R2.203 c1cc2c(c(c1)Br)C(=O)CO2 TS44284 [0,1,0,1,0,0|1,0,1]=4 1653 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 TS85148 [0,1,0,1,0,0|1,0,1]=4 1654 B12R2.196 c1cc2c(c(c1)Cl)CCC2N TS38540 [0,1,0,1,0,0|2,0,0]=4 1655 B12R2.196 c1cc2c(c(c1)F)CCC2N TS50630 [0,1,0,1,0,0|2,0,0]=4 1656 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N TS10051 [0,1,0,1,0,0|2,0,0]=4 1657 B12R2.612 C[C@@H]1c2ccc(cc2CN1)Br TS93564 [0,1,0,1,0,0|2,0,0]=4 1658 B12R2.612 Cc1c2ccc(cc2on1)Br TS21239 [0,1,0,1,0,0|1,0,1]=4 1659 B12R2.612 Cc1c2ccc(cc2on1)Cl TS43280 [0,1,0,1,0,0|1,0,1]=4 1660 B12R2.612 Cc1c2ccc(cc2on1)F TS40981 [0,1,0,1,0,0|1,0,1]=4 1661 B12R2.612 Cc1ccc2c(noc2c1)C TS07343 [0,1,0,1,0,0|1,0,1]=4 1662 B12R2.612 c1cc2c(cc1Br)OCC2=O TS22924 [0,1,0,1,0,0|1,0,1]=4 1663 B12R2.612 c1cc2c(cc1Cl)OCC2=O TS71456 [0,1,0,1,0,0|1,0,1]=4 1664 B12R2.612 c1cc2c(cc1F)OCC2=O TS41087 [0,1,0,1,0,0|1,0,1]=4 1665 B12R2.612 c1cc2c(cc1O)OCC2=O TS55600 [0,1,0,1,0,0|1,0,1]=4 1666 B12R2.132 Cc1ccc2c(c1)c(no2)C TS07348 [0,1,0,1,0,0|1,0,1]=4 1667 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 TS55555 [0,1,0,1,0,0|1,0,1]=4 1668 B12R2.132 c1cc2c(cc1Br)C(CO2)N TS94367 [0,1,0,1,0,0|1,0,0]=3 1669 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N TS86271 [0,1,0,1,0,0|2,0,0]=4 1670 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N TS86272 [0,1,0,1,0,0|2,0,0]=4 1671 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 TS71510 [0,1,0,1,0,0|1,0,1]=4 1672 B12R2.132 c1cc2c(cc1Cl)C(CC2)N TS60095 [0,1,0,1,0,0|2,0,0]=4 1673 B12R2.132 c1cc2c(cc1Cl)C(CO2)N TS12727 [0,1,0,1,0,0|1,0,0]=3 1674 B12R2.132 c1cc2c(cc1Cl)C(CO2)N TS20097 [0,1,0,1,0,0|1,0,0]=3 1675 B12R2.132 c1cc2c(cc1F)C(=O)CO2 TS32992 [0,1,0,1,0,0|1,0,1]=4 1676 B12R2.132 c1cc2c(cc1F)C(CC2)N TS50631 [0,1,0,1,0,0|2,0,0]=4 1677 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N TS10054 [0,1,0,1,0,0|2,0,0]=4 1678 B12R2.132 c1cc2c(cc1I)C(=O)CO2 TS71576 [0,1,0,1,0,0|1,0,1]=4 1679 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N TS90694 [0,1,0,1,0,0|2,0,0]=4 1680 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N TS91190 [0,1,0,1,0,0|2,0,0]=4 1681 B12R2.1 c1ccc2c(c1)CCC2C=O TS07225 [0,1,0,1,0,0|1,0,1]=4 1682 B12R2.1 c1ccc2c(c1)CCC2CN TS40569 [0,1,0,1,0,0|1,0,0]=3 1683 B12R2.1 c1ccc2c(c1)c(no2)CBr TS21235 [0,1,0,1,0,0|1,0,1]=4 1684 B12R2.18 CC1c2ccccc2NC1=O TS85089 [0,1,0,1,0,0|1,0,1]=4 1685 B12R2.18 CC1c2ccccc2NC1C TS40570 [0,1,0,1,0,0|1,0,0]=3 1686 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [0,1,0,1,0,0|1,0,1]=4 1687 B12R2.18 Cc1c(oc2c1cccc2)C TS07222 [0,1,0,1,0,0|0,0,1]=3 1688 B12R2.18 Cc1c(sc2c1cccc2)C TS11616 [0,1,0,1,0,0|0,1,1]=4 1689 B12R2.18 Cc1cc2ccccc2n1C TS00349 [0,1,0,1,0,0|2,0,0]=4 1690 B12R2.18 Cn1c2ccccc2oc1=O TS40731 [0,1,0,1,0,0|1,0,1]=4 1691 B12R2.18 Cn1c2ccccc2oc1=S TS42927 [0,1,0,1,0,0|1,0,1]=4 1692 B12R2.18 c1ccc2c(c1)C(C(=O)O2)Br TS44289 [0,1,0,1,0,0|1,0,1]=4 1693 B12R2.18 c1ccc2c(c1)CC(C2N)Cl TS38536 [0,1,0,1,0,0|2,0,0]=4 1694 B12R2.18 c1ccc2c(c1)CC(C2N)O TS94593 [0,1,0,1,0,0|2,0,0]=4 1695 B12R2.18 c1ccc2c(c1)CC(C2O)Br TS55072 [0,1,0,1,0,0|2,0,0]=4 1696 B12R2.18 c1ccc2c(c1)CC(C2O)N TS48806 [0,1,0,1,0,0|2,0,0]=4 1697 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2N)O TS07983 [0,1,0,1,0,0|2,0,0]=4 1698 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2O)O TS09875 [0,1,0,1,0,0|2,0,0]=4 1699 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2N)O TS07569 [0,1,0,1,0,0|2,0,0]=4 1700 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2O)Cl TS44951 [0,1,0,1,0,0|2,0,0]=4 1701 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2N)O TS40741 [0,1,0,1,0,0|2,0,0]=4 1702 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)Br TS21447 [0,1,0,1,0,0|2,0,0]=4 1703 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O TS07985 [0,1,0,1,0,0|2,0,0]=4 1704 B12R3.12 c1ccc2c(c1)CC3C2O3 TS09192 [0,0,0,2,0,0|2,0,0]=4 1705 B8R1.7 CC(C)C1=CC=CC1 TS04141 [1,0,0,0,1,0|0,0,1]=3 1706 B8R1.7 CC(C)C1C=CC=C1 TS31786 [1,0,0,0,1,0|0,0,1]=3 1707 B8R1.7 CC(C)c1[nH]ccn1 TS04207 [1,0,0,0,1,0|2,0,0]=4 1708 B8R1.7 CC(C)c1cc[nH]n1 TS04205 [1,0,0,0,1,0|2,0,0]=4 1709 B8R1.7 CC(C)n1cccn1 TS04211 [1,0,0,0,1,0|2,0,0]=4 1710 B8R1.7 CC(C)n1ccnc1 TS04209 [1,0,0,0,1,0|2,0,0]=4 1711 B8R1.7 CC(c1ccco1)N TS04253 [1,0,0,0,1,0|2,0,0]=4 1712 B8R1.7 CC(c1ccco1)O TS31898 [1,0,0,0,1,0|2,0,0]=4 1713 B8R1.7 CC(c1ccoc1)N TS31874 [1,0,0,0,1,0|2,0,0]=4 1714 B8R1.7 CN(C)c1cccs1 TS36249 [1,0,0,0,1,0|2,0,0]=4 1715 B8R1.7 C[C@@H](c1cccs1)O TS05368 [1,0,0,0,1,0|2,0,0]=4 1716 B8R1.7 C[C@H](c1ccco1)O TS31904 [1,0,0,0,1,0|2,0,0]=4 1717 B8R1.7 C[C@H](c1cccs1)O TS08060 [1,0,0,0,1,0|2,0,0]=4 1718 B12R1.125 Cc1ccccc1OCC(C)O TS12256 [0,0,0,0,0,2|2,0,0]=4